#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdx s LEU 27 N 0.00 3.50 0.68 0.00 1.43 -1.26 -5.06 118.68 117.98 2wdx s LEU 27 Ca 0.00 1.17 -0.14 0.00 -1.03 0.00 0.00 54.13 54.13 2wdx s LEU 27 Cb 0.00 -4.15 0.01 0.00 0.03 0.00 0.00 46.19 42.07 2wdx s LEU 27 CO 0.00 -0.67 1.10 -2.84 0.23 0.00 0.00 176.35 174.18 2wdx s PRO 28 N -4.76 2.73 0.74 1.29 0.02 -1.26 -5.01 135.00 128.75 2wdx s PRO 28 Ca 0.51 1.32 -0.11 0.00 0.02 0.00 0.00 61.00 62.74 2wdx s PRO 28 Cb -0.11 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.50 2wdx s PRO 28 CO 0.46 -1.30 1.08 -1.25 -0.33 0.00 0.00 177.00 175.67 2wdx s PRO 29 N -4.28 2.57 0.26 5.54 0.04 -1.26 -4.99 135.00 132.87 2wdx s PRO 29 Ca 0.65 0.66 -0.31 0.00 0.04 0.00 0.00 61.00 62.05 2wdx s PRO 29 Cb -0.19 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 2wdx s PRO 29 CO 0.44 -1.28 1.59 0.00 0.04 0.00 0.00 177.00 177.79 2wdx n ALA 30 N -3.21 2.31 -1.45 8.56 0.00 -1.26 -4.92 120.51 120.54 2wdx n ALA 30 Ca 0.07 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.70 2wdx n ALA 30 Cb 0.56 -2.44 0.22 0.00 0.00 0.00 0.00 19.45 17.79 2wdx n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdx n GLY 31 N 2.63 -2.17 3.77 0.00 0.00 -1.26 -3.74 105.19 104.42 2wdx n GLY 31 Ca 0.11 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 2wdx n GLY 31 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wdx s PRO 32 N -5.59 4.56 -0.06 1.61 0.04 -1.26 -4.44 135.00 129.84 2wdx s PRO 32 Ca 0.71 1.59 0.01 0.00 0.04 0.00 0.00 61.00 63.35 2wdx s PRO 32 Cb -0.04 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.53 2wdx s PRO 32 CO 0.52 0.20 -0.09 0.54 0.04 0.00 0.00 177.00 178.21 2wdx s VAL 33 N -1.36 0.89 -0.40 -0.36 0.11 -0.24 -5.01 120.40 114.04 2wdx s VAL 33 Ca 0.48 -0.31 -0.18 0.00 -2.93 0.00 0.00 61.98 59.04 2wdx s VAL 33 Cb -0.26 -0.86 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 2wdx s VAL 33 CO 0.33 0.31 0.47 -0.75 -3.33 0.00 0.00 175.10 172.13 2wdx s LYS 34 N 0.93 3.28 -0.49 1.54 2.20 -1.26 0.00 119.74 125.94 2wdx s LYS 34 Ca -0.10 -0.55 -0.16 0.00 -0.36 0.00 0.00 55.97 54.80 2wdx s LYS 34 Cb -0.15 -3.91 0.08 0.00 -1.51 0.00 0.00 37.83 32.34 2wdx s LYS 34 CO 0.01 -0.80 0.45 0.08 -0.36 0.00 0.00 175.35 174.73 2wdx s VAL 35 N 2.27 5.18 0.62 4.02 1.01 0.42 -4.94 120.40 128.97 2wdx s VAL 35 Ca 0.15 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 2wdx s VAL 35 Cb -0.16 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.06 2wdx s VAL 35 CO 0.14 -0.68 0.90 0.42 0.00 0.00 0.00 175.10 175.89 2wdx s THR 36 N 1.77 2.87 0.59 3.92 -4.23 -1.26 -0.78 115.64 118.52 2wdx s THR 36 Ca 0.05 -0.30 0.29 0.00 -1.18 0.00 0.00 61.69 60.55 2wdx s THR 36 Cb -0.25 -3.16 0.36 0.00 1.34 0.00 0.00 72.50 70.79 2wdx s THR 36 CO 0.06 -0.15 2.09 -0.65 -0.54 0.00 0.00 174.62 175.43 2wdx h PRO 37 N -0.26 0.00 0.00 3.99 0.11 -1.88 -1.64 132.00 132.33 2wdx h PRO 37 Ca -0.44 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 2wdx h PRO 37 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 2wdx h PRO 37 CO 0.58 0.00 -0.85 0.38 -0.21 0.00 0.00 178.00 177.90 2wdx h ASP 38 N 0.00 0.00 -3.71 -2.05 3.04 -1.96 -3.47 116.42 108.28 2wdx h ASP 38 Ca 0.09 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.35 2wdx h ASP 38 Cb 0.52 0.00 0.06 0.00 -1.04 0.00 0.00 39.33 38.87 2wdx h ASP 38 CO -0.00 0.47 0.67 -0.62 -2.04 0.00 0.00 179.24 177.72 2wdx s ASP 39 N -6.13 6.76 0.63 4.15 -1.08 -0.62 -4.92 116.67 115.47 2wdx s ASP 39 Ca 0.01 2.65 0.41 0.00 -0.52 0.00 0.00 52.55 55.11 2wdx s ASP 39 Cb 0.08 -2.64 2.11 0.00 -1.46 0.00 0.00 42.92 41.01 2wdx s ASP 39 CO 0.77 -0.57 2.26 1.55 0.52 0.00 0.00 175.17 179.70 2wdx h PRO 40 N 4.00 0.00 -0.00 4.34 0.13 -1.90 -2.40 132.00 136.17 2wdx h PRO 40 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2wdx h PRO 40 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wdx h PRO 40 CO 0.70 0.00 -0.30 0.54 -0.23 0.00 0.00 178.00 178.71 2wdx n ARG 41 N -3.10 0.05 -0.00 0.86 1.74 -1.26 -4.42 116.66 110.53 2wdx n ARG 41 Ca -0.02 -0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 56.94 2wdx n ARG 41 Cb 0.14 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.05 2wdx n ARG 41 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2wdx h TYR 42 N 0.05 -0.24 -0.40 -1.55 3.20 -1.65 -2.43 116.97 113.95 2wdx h TYR 42 Ca 0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 2wdx h TYR 42 Cb 0.49 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2wdx h TYR 42 CO 0.00 -0.15 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.20 2wdx h LEU 43 N -0.11 0.78 -0.33 2.82 3.38 -1.81 0.31 115.31 120.34 2wdx h LEU 43 Ca 0.08 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.74 2wdx h LEU 43 Cb 0.23 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2wdx h LEU 43 CO -0.18 0.96 -0.01 0.78 0.09 0.00 0.00 178.44 180.08 2wdx h ASN 44 N 0.58 -0.16 -0.74 -0.43 4.21 -1.82 -0.61 115.58 116.61 2wdx h ASN 44 Ca 0.10 0.08 -0.04 0.00 1.21 0.00 0.00 56.30 57.64 2wdx h ASN 44 Cb 0.62 0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.93 2wdx h ASN 44 CO 0.04 -0.04 0.29 -0.07 -1.29 0.00 0.00 177.43 176.36 2wdx h LEU 45 N 0.08 1.04 -1.16 1.61 -0.00 -1.15 -2.47 115.31 113.26 2wdx h LEU 45 Ca 0.16 -0.16 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 2wdx h LEU 45 Cb 0.22 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 2wdx h LEU 45 CO -0.28 0.92 -0.35 0.50 -0.00 0.00 0.00 178.44 179.23 2wdx h LYS 46 N 1.10 0.12 -0.29 1.13 3.64 -0.43 -3.20 116.57 118.64 2wdx h LYS 46 Ca 0.25 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2wdx h LYS 46 Cb 0.21 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2wdx h LYS 46 CO -0.02 0.46 0.00 1.28 -2.27 0.00 0.00 179.45 178.90 2wdx n LEU 47 N -4.09 4.01 -0.19 5.20 4.77 -0.28 -4.59 117.00 121.83 2wdx n LEU 47 Ca -0.02 -3.08 0.14 0.00 -0.03 0.00 0.00 56.01 53.02 2wdx n LEU 47 Cb 0.41 -0.56 0.51 0.00 -2.33 0.00 0.00 43.42 41.46 2wdx n LEU 47 CO 0.40 0.72 0.78 -2.11 -1.33 0.00 0.00 177.39 175.85 2wdx n ARG 48 N -0.53 0.81 -1.75 3.23 1.85 -0.95 -4.85 116.66 114.46 2wdx n ARG 48 Ca 0.23 -0.38 -0.38 0.00 -1.00 0.00 0.00 57.85 56.32 2wdx n ARG 48 Cb 0.93 -1.49 0.05 0.00 -1.05 0.00 0.00 32.46 30.89 2wdx n ARG 48 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2wdx s GLY 49 N -2.45 2.89 0.28 2.89 0.00 -1.26 -4.72 107.32 104.95 2wdx s GLY 49 Ca 0.28 1.35 0.12 0.00 0.00 0.00 0.00 44.72 46.47 2wdx s GLY 49 CO 0.48 1.86 1.60 0.00 0.00 0.00 0.00 173.10 177.04 2wdx h ALA 50 N 1.33 0.90 -2.92 3.20 0.00 -1.36 -3.44 119.26 116.98 2wdx h ALA 50 Ca -0.51 -0.54 -0.71 0.00 0.00 0.00 0.00 54.91 53.15 2wdx h ALA 50 Cb 1.31 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.73 2wdx h ALA 50 CO 0.57 0.74 -0.53 1.21 0.00 0.00 0.00 179.25 181.24 2wdx s ASN 51 N -6.71 5.55 0.00 0.00 3.04 -1.26 -3.83 114.94 111.73 2wdx s ASN 51 Ca -0.00 -1.28 0.13 0.00 0.04 0.00 0.00 52.86 51.75 2wdx s ASN 51 Cb 0.12 -1.95 0.67 0.00 -1.54 0.00 0.00 41.25 38.54 2wdx s ASN 51 CO 0.75 -0.43 1.36 -1.54 -3.04 0.00 0.00 177.10 174.19 2wdx n SER 52 N 4.89 0.00 -0.18 -4.21 3.41 -1.25 -2.43 113.62 113.85 2wdx n SER 52 Ca -0.11 0.12 0.02 0.00 -0.26 0.00 0.00 58.87 58.64 2wdx n SER 52 Cb 0.44 -0.30 0.29 0.00 -0.26 0.00 0.00 64.21 64.38 2wdx n SER 52 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2wdx h ARG 53 N 0.00 0.89 -5.18 4.33 3.08 -1.91 -3.43 114.38 112.15 2wdx h ARG 53 Ca 0.00 -0.05 -0.62 0.00 0.07 0.00 0.00 59.98 59.37 2wdx h ARG 53 Cb 0.13 -0.20 -0.17 0.00 0.08 0.00 0.00 29.97 29.82 2wdx h ARG 53 CO 0.00 0.59 -0.56 -0.06 -1.07 0.00 0.00 179.97 178.87 2wdx s PHE 54 N -5.78 3.24 0.03 3.04 0.40 -1.02 -5.08 117.98 112.81 2wdx s PHE 54 Ca -0.10 0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.28 2wdx s PHE 54 Cb 0.18 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.54 2wdx s PHE 54 CO 0.77 0.05 -0.09 -0.80 0.70 0.00 0.00 175.22 175.85 2wdx s ASN 55 N 0.73 1.01 0.30 1.36 -0.87 -1.25 -4.88 114.94 111.34 2wdx s ASN 55 Ca 0.04 -0.42 0.03 0.00 -1.57 0.00 0.00 52.86 50.95 2wdx s ASN 55 Cb -0.13 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.25 41.04 2wdx s ASN 55 CO 0.02 -0.08 0.17 -0.83 -2.57 0.00 0.00 177.10 173.81 2wdx s GLY 56 N -1.13 2.03 -0.41 0.66 0.00 -1.26 -3.21 107.32 104.00 2wdx s GLY 56 Ca -0.04 -1.79 0.06 0.00 0.00 0.00 0.00 44.72 42.94 2wdx s GLY 56 CO 0.01 -1.54 0.42 -2.21 0.00 0.00 0.00 173.10 169.77 2wdx n GLU 57 N -0.55 0.45 -1.93 2.90 4.07 -1.26 -4.94 120.64 119.38 2wdx n GLU 57 Ca 0.02 -3.23 -0.36 0.00 -0.06 0.00 0.00 57.16 53.53 2wdx n GLU 57 Cb 0.65 -1.51 0.04 0.00 -0.06 0.00 0.00 31.44 30.56 2wdx n GLU 57 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2wdx s PRO 58 N -0.49 2.85 0.17 5.31 0.04 -1.25 -4.86 135.00 136.77 2wdx s PRO 58 Ca 0.34 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 63.07 2wdx s PRO 58 Cb 0.09 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.77 2wdx s PRO 58 CO -0.16 -1.30 1.83 -0.44 0.04 0.00 0.00 177.00 176.96 2wdx h ASP 59 N 0.74 0.56 -5.18 6.66 3.45 -0.30 -3.45 116.42 118.89 2wdx h ASP 59 Ca -0.50 -0.02 -0.08 0.00 0.43 0.00 0.00 57.03 56.85 2wdx h ASP 59 Cb 1.30 -0.14 -0.13 0.00 -0.56 0.00 0.00 39.33 39.80 2wdx h ASP 59 CO 0.54 0.41 -0.28 -0.72 -1.57 0.00 0.00 179.24 177.63 2wdx s TYR 60 N -6.13 0.18 -0.18 4.55 1.13 -1.18 -4.21 117.35 111.51 2wdx s TYR 60 Ca -0.13 -0.56 -0.01 0.00 -1.41 0.00 0.00 57.07 54.96 2wdx s TYR 60 Cb 0.12 0.02 0.00 0.00 -1.10 0.00 0.00 41.96 41.00 2wdx s TYR 60 CO 0.74 -0.66 -0.12 0.42 -2.51 0.00 0.00 175.55 173.41 2wdx s ILE 61 N -3.90 2.81 -0.45 -3.49 1.01 0.04 -2.74 121.20 114.48 2wdx s ILE 61 Ca 0.10 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.91 2wdx s ILE 61 Cb 0.03 -2.22 0.07 0.00 0.01 0.00 0.00 42.46 40.35 2wdx s ILE 61 CO -0.06 0.49 0.35 -2.28 0.00 0.00 0.00 174.94 173.43 2wdx s HIS 62 N 1.14 3.27 0.01 3.97 2.46 0.31 -0.44 115.29 126.01 2wdx s HIS 62 Ca 0.01 -1.06 -0.29 0.00 0.47 0.00 0.00 55.06 54.18 2wdx s HIS 62 Cb -0.14 -3.06 -0.03 0.00 -0.13 0.00 0.00 32.58 29.22 2wdx s HIS 62 CO -0.04 -0.79 0.95 -0.51 -2.47 0.00 0.00 174.74 171.88 2wdx s LEU 63 N 1.59 4.38 -0.00 8.88 1.43 0.10 -1.73 118.68 133.33 2wdx s LEU 63 Ca 0.04 1.63 0.06 0.00 -1.03 0.00 0.00 54.13 54.84 2wdx s LEU 63 Cb -0.23 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 2wdx s LEU 63 CO 0.06 -0.22 -0.20 0.68 0.23 0.00 0.00 176.35 176.90 2wdx s VAL 64 N 0.84 1.59 -0.07 -1.59 -7.23 -1.19 -1.07 120.40 111.68 2wdx s VAL 64 Ca 0.50 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.74 2wdx s VAL 64 Cb -0.21 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 2wdx s VAL 64 CO 0.27 0.39 0.16 0.61 -0.31 0.00 0.00 175.10 176.22 2wdx n GLY 65 N 2.41 0.38 3.59 2.32 0.00 -1.25 -4.13 105.19 108.51 2wdx n GLY 65 Ca -0.16 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 2wdx n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wdx s SER 66 N -0.87 -0.15 0.23 1.61 1.04 -1.26 -4.61 113.70 109.68 2wdx s SER 66 Ca 0.01 -0.76 -0.07 0.00 0.48 0.00 0.00 55.95 55.60 2wdx s SER 66 Cb 0.01 0.59 0.20 0.00 0.10 0.00 0.00 66.02 66.92 2wdx s SER 66 CO 0.04 -1.12 1.85 0.74 0.98 0.00 0.00 173.24 175.72 2wdx h THR 67 N 2.23 1.25 -0.66 2.02 2.02 -1.96 -2.51 112.91 115.30 2wdx h THR 67 Ca -0.26 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.33 2wdx h THR 67 Cb 1.25 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 2wdx h THR 67 CO 0.35 0.28 0.39 -0.61 0.37 0.00 0.00 175.52 176.31 2wdx h GLN 68 N 1.22 0.73 -0.78 6.66 5.75 -2.00 -0.74 115.11 125.95 2wdx h GLN 68 Ca 0.31 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.82 2wdx h GLN 68 Cb 0.03 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.36 2wdx h GLN 68 CO -0.05 0.48 0.51 1.96 -2.65 0.00 0.00 178.83 179.09 2wdx h GLN 69 N 0.75 0.83 -0.20 1.69 4.20 -1.92 -1.88 115.11 118.59 2wdx h GLN 69 Ca 0.28 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 2wdx h GLN 69 Cb 0.09 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2wdx h GLN 69 CO -0.14 0.55 -0.12 0.28 -0.67 0.00 0.00 178.83 178.73 2wdx h VAL 70 N 0.85 1.32 -0.30 -0.54 2.07 -0.75 -0.36 116.25 118.54 2wdx h VAL 70 Ca 0.33 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.67 2wdx h VAL 70 Cb 0.22 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2wdx h VAL 70 CO -0.11 0.37 0.10 0.00 0.02 0.00 0.00 177.57 177.94 2wdx h ALA 71 N 0.68 0.34 -0.04 1.67 0.00 -1.02 0.44 119.26 121.33 2wdx h ALA 71 Ca 0.04 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2wdx h ALA 71 Cb 0.63 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2wdx h ALA 71 CO 0.03 -0.31 -0.26 -0.44 0.00 0.00 0.00 179.25 178.28 2wdx h ASP 72 N 0.22 -0.77 -0.49 0.00 3.32 -1.34 -0.35 116.42 117.01 2wdx h ASP 72 Ca 0.14 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.38 2wdx h ASP 72 Cb 0.11 0.32 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 2wdx h ASP 72 CO -0.15 -0.32 0.10 0.00 -1.72 0.00 0.00 179.24 177.15 2wdx h ALA 73 N 0.48 0.55 -0.09 3.45 0.00 -0.70 -1.13 119.26 121.82 2wdx h ALA 73 Ca 0.07 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wdx h ALA 73 Cb 0.48 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wdx h ALA 73 CO -0.25 -0.31 0.04 0.28 0.00 0.00 0.00 179.25 179.01 2wdx h VAL 74 N 0.23 1.11 -0.24 0.00 2.07 -0.75 -2.18 116.25 116.48 2wdx h VAL 74 Ca 0.25 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2wdx h VAL 74 Cb 0.33 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2wdx h VAL 74 CO -0.32 0.09 0.17 -0.33 0.02 0.00 0.00 177.57 177.19 2wdx h GLU 75 N 0.03 0.14 -0.21 1.57 5.08 -0.82 -1.71 114.58 118.65 2wdx h GLU 75 Ca 0.03 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.17 2wdx h GLU 75 Cb 0.11 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2wdx h GLU 75 CO -0.00 0.09 -0.68 1.49 -1.00 0.00 0.00 179.01 178.91 2wdx h GLU 76 N 0.14 0.84 0.00 2.33 4.81 -0.94 0.03 114.58 121.80 2wdx h GLU 76 Ca 0.11 -0.62 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2wdx h GLU 76 Cb 0.24 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 2wdx h GLU 76 CO -0.02 1.23 -0.08 1.79 -0.73 0.00 0.00 179.01 181.21 2wdx h THR 77 N 0.60 0.18 0.36 0.32 1.35 -0.84 -1.09 112.91 113.79 2wdx h THR 77 Ca -0.02 -0.79 -0.02 0.00 -0.55 0.00 0.00 66.41 65.03 2wdx h THR 77 Cb 1.30 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 2wdx h THR 77 CO 0.15 0.08 -0.17 0.58 -0.25 0.00 0.00 175.52 175.90 2wdx h VAL 78 N 0.00 0.17 -0.92 6.82 2.07 -1.20 -2.28 116.25 120.91 2wdx h VAL 78 Ca -0.00 -0.70 0.23 0.00 0.82 0.00 0.00 66.70 67.05 2wdx h VAL 78 Cb 0.66 0.28 -0.17 0.00 -1.52 0.00 0.00 31.29 30.54 2wdx h VAL 78 CO 0.01 0.04 -0.04 -0.09 0.02 0.00 0.00 177.57 177.51 2wdx h ARG 79 N -1.09 0.03 -0.00 1.57 2.43 -0.83 -1.15 114.38 115.34 2wdx h ARG 79 Ca -0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2wdx h ARG 79 Cb 0.44 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2wdx h ARG 79 CO 0.08 0.02 -0.44 0.25 -1.51 0.00 0.00 179.97 178.37 2wdx n THR 80 N -5.48 0.00 -1.04 0.20 -2.24 -0.43 -4.96 114.28 100.34 2wdx n THR 80 Ca 0.19 -0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 61.93 2wdx n THR 80 Cb 0.62 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 69.12 2wdx n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdx n GLY 81 N 1.46 0.42 3.69 3.38 0.00 -0.44 -4.99 105.19 108.71 2wdx n GLY 81 Ca 0.07 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2wdx n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdx s LYS 82 N -1.06 4.41 0.18 1.61 1.02 -0.97 -4.99 119.74 119.93 2wdx s LYS 82 Ca 0.00 1.34 -0.31 0.00 0.02 0.00 0.00 55.97 57.02 2wdx s LYS 82 Cb 0.00 -3.54 -0.10 0.00 -0.52 0.00 0.00 37.83 33.67 2wdx s LYS 82 CO 0.00 -0.31 1.53 0.50 -0.92 0.00 0.00 175.35 176.15 2wdx s ARG 83 N 2.01 4.23 0.05 1.68 6.06 -1.26 -4.73 118.95 127.00 2wdx s ARG 83 Ca 0.47 2.33 0.06 0.00 -2.50 0.00 0.00 55.73 56.09 2wdx s ARG 83 Cb -0.18 -3.15 -0.04 0.00 0.06 0.00 0.00 34.95 31.64 2wdx s ARG 83 CO 0.17 -0.56 -0.12 0.54 -2.50 0.00 0.00 175.30 172.83 2wdx s VAL 84 N 0.91 3.24 -0.00 7.11 0.11 -1.26 -0.46 120.40 130.05 2wdx s VAL 84 Ca 0.67 -1.10 -0.01 0.00 -2.93 0.00 0.00 61.98 58.61 2wdx s VAL 84 Cb -0.43 -2.43 -0.00 0.00 -1.53 0.00 0.00 36.38 31.99 2wdx s VAL 84 CO 0.34 0.27 0.03 0.00 -3.33 0.00 0.00 175.10 172.40 2wdx s ALA 85 N -1.05 -0.05 0.07 1.54 0.00 -0.35 -4.73 121.76 117.19 2wdx s ALA 85 Ca 0.18 -0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.85 2wdx s ALA 85 Cb -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 23.12 22.95 2wdx s ALA 85 CO 0.09 -0.06 0.63 0.08 0.00 0.00 0.00 175.76 176.50 2wdx s VAL 86 N -0.40 4.70 -0.16 0.00 1.01 -1.26 -1.04 120.40 123.25 2wdx s VAL 86 Ca -0.05 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.30 2wdx s VAL 86 Cb -0.03 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.40 2wdx s VAL 86 CO -0.00 0.51 -0.21 -0.60 0.00 0.00 0.00 175.10 174.79 2wdx s ARG 87 N -0.84 3.00 0.00 2.72 3.52 -0.23 -4.89 118.95 122.23 2wdx s ARG 87 Ca 0.31 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 2wdx s ARG 87 Cb -0.20 -2.49 0.00 0.00 -1.56 0.00 0.00 34.95 30.70 2wdx s ARG 87 CO 0.20 -0.10 0.00 0.43 -0.81 0.00 0.00 175.30 175.02 2wdx n SER 88 N 4.32 0.00 -0.02 -2.12 7.64 -1.26 -1.03 113.62 121.15 2wdx n SER 88 Ca -0.20 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.80 2wdx n SER 88 Cb 0.51 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.95 2wdx n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdx n GLY 89 N 3.00 -1.19 2.25 0.23 0.00 -1.26 -4.69 105.19 103.53 2wdx n GLY 89 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 2wdx n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 90 N 1.49 0.48 0.58 -0.02 0.00 -1.26 -4.62 105.19 101.84 2wdx n GLY 90 Ca 0.06 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.00 2wdx n GLY 90 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wdx n HIS 91 N -2.75 0.18 -1.16 1.61 8.25 -1.26 -1.08 115.22 119.02 2wdx n HIS 91 Ca -0.01 -0.09 -0.43 0.00 -0.26 0.00 0.00 57.72 56.92 2wdx n HIS 91 Cb 0.15 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.21 2wdx n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wdx n PHE 93 N 0.66 0.16 -4.08 0.00 3.72 -1.26 -4.70 117.46 111.96 2wdx n PHE 93 Ca 0.15 0.05 -0.25 0.00 -0.05 0.00 0.00 57.45 57.35 2wdx n PHE 93 Cb 0.12 -0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 38.22 2wdx n PHE 93 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2wdx s GLU 94 N -3.05 2.26 -0.06 -1.08 0.41 -1.26 -4.85 118.70 111.06 2wdx s GLU 94 Ca 0.10 -1.88 0.00 0.00 -0.41 0.00 0.00 54.97 52.78 2wdx s GLU 94 Cb 0.16 -2.01 0.07 0.00 -1.78 0.00 0.00 34.13 30.58 2wdx s GLU 94 CO 0.70 -0.22 1.47 -0.40 -0.49 0.00 0.00 175.26 176.32 2wdx n ASP 95 N -1.35 4.10 0.27 -0.19 3.85 -1.26 -4.55 116.55 117.43 2wdx n ASP 95 Ca -0.02 -2.35 0.13 0.00 -0.71 0.00 0.00 54.79 51.85 2wdx n ASP 95 Cb 0.64 -0.77 0.79 0.00 -1.35 0.00 0.00 41.12 40.44 2wdx n ASP 95 CO 0.00 0.00 0.00 -0.26 -1.01 0.00 0.00 177.20 175.93 2wdx h PHE 96 N 0.52 0.00 0.00 2.11 0.04 -1.96 -3.30 116.94 114.35 2wdx h PHE 96 Ca 0.08 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.69 2wdx h PHE 96 Cb 1.13 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 2wdx h PHE 96 CO 0.27 0.08 -1.51 0.28 -0.60 0.00 0.00 178.31 176.82 2wdx n VAL 97 N -3.74 0.51 -3.23 -0.55 0.31 -1.26 -4.87 118.33 105.49 2wdx n VAL 97 Ca -0.02 -0.14 -0.46 0.00 -0.01 0.00 0.00 64.34 63.71 2wdx n VAL 97 Cb 0.18 -1.50 -0.04 0.00 -0.91 0.00 0.00 33.84 31.58 2wdx n VAL 97 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2wdx s ASP 98 N -5.68 6.41 0.05 4.52 1.01 -1.24 -4.82 116.67 116.92 2wdx s ASP 98 Ca -0.13 -2.01 -0.21 0.00 0.71 0.00 0.00 52.55 50.92 2wdx s ASP 98 Cb 0.05 -2.25 0.05 0.00 1.01 0.00 0.00 42.92 41.77 2wdx s ASP 98 CO 0.17 -0.85 0.48 0.54 0.21 0.00 0.00 175.17 175.72 2wdx s ASN 99 N 3.16 -0.38 0.52 0.27 4.22 -1.20 -3.81 114.94 117.72 2wdx s ASN 99 Ca 0.13 0.09 0.42 0.00 -2.14 0.00 0.00 52.86 51.36 2wdx s ASN 99 Cb -0.20 0.47 1.62 0.00 1.28 0.00 0.00 41.25 44.42 2wdx s ASN 99 CO -0.01 -0.71 1.62 -0.65 -2.04 0.00 0.00 177.10 175.31 2wdx h PRO 100 N 2.82 0.02 0.00 3.55 0.11 -1.95 -2.52 132.00 134.03 2wdx h PRO 100 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2wdx h PRO 100 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wdx h PRO 100 CO 0.42 0.02 -0.51 -0.25 -0.21 0.00 0.00 178.00 177.47 2wdx n ASP 101 N -4.22 0.66 -4.66 -2.05 10.43 -1.26 -4.81 116.55 110.63 2wdx n ASP 101 Ca 0.40 0.14 -0.41 0.00 2.57 0.00 0.00 54.79 57.49 2wdx n ASP 101 Cb 1.73 0.03 -0.05 0.00 1.84 0.00 0.00 41.12 44.67 2wdx n ASP 101 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2wdx s VAL 102 N -3.13 4.91 -0.05 2.53 1.01 -0.95 -4.55 120.40 120.17 2wdx s VAL 102 Ca 0.08 1.49 0.13 0.00 0.00 0.00 0.00 61.98 63.68 2wdx s VAL 102 Cb 0.14 -4.08 -0.19 0.00 0.00 0.00 0.00 36.38 32.25 2wdx s VAL 102 CO 0.70 0.03 0.22 0.29 0.00 0.00 0.00 175.10 176.34 2wdx n LYS 103 N 5.32 0.88 -4.23 2.72 4.76 -0.20 -3.84 118.16 123.57 2wdx n LYS 103 Ca 0.03 -0.09 -0.23 0.00 -2.87 0.00 0.00 58.31 55.16 2wdx n LYS 103 Cb 0.49 -1.32 -0.17 0.00 -1.84 0.00 0.00 35.03 32.19 2wdx n LYS 103 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wdx s VAL 104 N -2.74 0.79 -0.24 -0.18 1.01 0.39 0.42 120.40 119.85 2wdx s VAL 104 Ca -0.05 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 2wdx s VAL 104 Cb 0.07 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 2wdx s VAL 104 CO 0.54 0.29 0.18 -0.63 0.00 0.00 0.00 175.10 175.48 2wdx s ILE 105 N 1.04 5.34 -0.46 2.22 -1.09 -1.11 -1.21 121.20 125.94 2wdx s ILE 105 Ca -0.09 0.21 -0.21 0.00 -2.23 0.00 0.00 60.65 58.34 2wdx s ILE 105 Cb -0.14 -3.52 0.03 0.00 -1.58 0.00 0.00 42.46 37.24 2wdx s ILE 105 CO -0.00 0.32 0.69 -0.63 -1.23 0.00 0.00 174.94 174.09 2wdx s ILE 106 N 1.19 4.77 -0.23 2.92 1.01 -0.21 -0.53 121.20 130.13 2wdx s ILE 106 Ca 0.08 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.75 2wdx s ILE 106 Cb -0.14 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 2wdx s ILE 106 CO 0.06 -0.68 0.14 -0.62 0.00 0.00 0.00 174.94 173.84 2wdx s ASP 107 N 2.15 5.96 -0.05 3.58 -1.08 -0.71 -1.06 116.67 125.47 2wdx s ASP 107 Ca 0.24 0.08 0.19 0.00 -0.52 0.00 0.00 52.55 52.54 2wdx s ASP 107 Cb -0.14 -2.07 0.64 0.00 -1.46 0.00 0.00 42.92 39.89 2wdx s ASP 107 CO 0.19 0.07 1.54 0.23 0.52 0.00 0.00 175.17 177.72 2wdx n MET 108 N 4.23 3.02 -0.40 4.34 2.81 -0.20 -3.17 117.12 127.77 2wdx n MET 108 Ca -0.15 -2.58 0.34 0.00 -1.81 0.00 0.00 57.70 53.50 2wdx n MET 108 Cb 0.52 -1.68 0.67 0.00 -0.71 0.00 0.00 33.22 32.02 2wdx n MET 108 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2wdx h SER 109 N 3.97 0.19 0.67 7.83 0.02 -1.84 0.23 113.55 124.62 2wdx h SER 109 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2wdx h SER 109 Cb 1.12 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2wdx h SER 109 CO 0.10 -0.02 -0.30 0.18 -1.14 0.00 0.00 176.83 175.65 2wdx n LEU 110 N -4.40 0.33 -4.38 5.07 4.77 -1.26 -4.63 117.00 112.49 2wdx n LEU 110 Ca 0.30 0.18 -0.45 0.00 -0.03 0.00 0.00 56.01 56.01 2wdx n LEU 110 Cb 1.27 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 42.01 2wdx n LEU 110 CO 0.32 0.08 0.75 -0.76 -1.33 0.00 0.00 177.39 176.45 2wdx s LEU 111 N -2.97 5.98 -0.09 2.23 1.43 0.07 -4.84 118.68 120.49 2wdx s LEU 111 Ca 0.13 -2.61 0.21 0.00 -1.03 0.00 0.00 54.13 50.83 2wdx s LEU 111 Cb 0.18 -2.29 0.43 0.00 0.03 0.00 0.00 46.19 44.54 2wdx s LEU 111 CO 0.63 -0.72 1.18 0.35 0.23 0.00 0.00 176.35 178.02 2wdx n THR 112 N 4.39 0.78 -2.46 5.49 -2.24 -1.26 -1.05 114.28 117.93 2wdx n THR 112 Ca 0.21 -1.86 -0.40 0.00 -2.27 0.00 0.00 64.05 59.72 2wdx n THR 112 Cb 0.46 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 2wdx n THR 112 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wdx s GLU 113 N -1.28 4.62 -0.10 -0.78 2.56 -1.26 -4.84 118.70 117.62 2wdx s GLU 113 Ca 0.35 1.81 -0.03 0.00 0.00 0.00 0.00 54.97 57.10 2wdx s GLU 113 Cb 0.38 -3.20 0.04 0.00 2.00 0.00 0.00 34.13 33.36 2wdx s GLU 113 CO -0.13 0.17 0.06 0.42 -0.56 0.00 0.00 175.26 175.23 2wdx s ILE 114 N -1.03 -0.00 0.03 -3.70 1.01 -1.26 -0.86 121.20 115.39 2wdx s ILE 114 Ca 0.45 0.11 -0.28 0.00 0.00 0.00 0.00 60.65 60.94 2wdx s ILE 114 Cb -0.32 -0.41 0.07 0.00 0.01 0.00 0.00 42.46 41.81 2wdx s ILE 114 CO 0.41 -0.01 0.67 0.00 0.00 0.00 0.00 174.94 176.01 2wdx s ALA 115 N 2.11 -1.71 -0.12 9.38 0.00 -0.33 -5.01 121.76 126.08 2wdx s ALA 115 Ca 0.03 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 2wdx s ALA 115 Cb -0.14 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2wdx s ALA 115 CO -0.06 -0.53 1.25 -0.47 0.00 0.00 0.00 175.76 175.94 2wdx s TYR 116 N -2.25 2.97 -0.46 0.00 5.04 -1.26 -0.55 117.35 120.84 2wdx s TYR 116 Ca -0.06 1.08 -0.16 0.00 -2.44 0.00 0.00 57.07 55.49 2wdx s TYR 116 Cb -0.00 -3.48 0.06 0.00 0.35 0.00 0.00 41.96 38.88 2wdx s TYR 116 CO 0.00 -1.59 0.43 0.34 -1.34 0.00 0.00 175.55 173.39 2wdx s ASP 117 N 1.79 6.16 0.52 4.32 3.68 0.39 -4.90 116.67 128.64 2wdx s ASP 117 Ca 0.56 -1.10 0.22 0.00 2.13 0.00 0.00 52.55 54.35 2wdx s ASP 117 Cb -0.23 -2.20 1.41 0.00 -1.45 0.00 0.00 42.92 40.44 2wdx s ASP 117 CO 0.18 -0.65 2.13 -0.65 0.13 0.00 0.00 175.17 176.31 2wdx h PRO 118 N 8.78 0.00 0.00 4.34 0.11 -1.95 -0.88 132.00 142.40 2wdx h PRO 118 Ca -0.28 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.73 2wdx h PRO 118 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2wdx h PRO 118 CO 0.86 0.07 -0.49 0.77 -0.21 0.00 0.00 178.00 179.00 2wdx h SER 119 N 0.00 0.00 -0.01 -2.05 0.02 -1.94 -3.09 113.55 106.48 2wdx h SER 119 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wdx h SER 119 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2wdx h SER 119 CO 0.01 0.49 -0.43 0.23 -1.14 0.00 0.00 176.83 175.98 2wdx n MET 120 N -3.78 1.90 -4.15 3.45 2.81 -1.06 -4.99 117.12 111.30 2wdx n MET 120 Ca -0.01 -0.53 -0.34 0.00 -1.81 0.00 0.00 57.70 55.01 2wdx n MET 120 Cb 0.54 -1.23 -0.05 0.00 -0.71 0.00 0.00 33.22 31.77 2wdx n MET 120 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2wdx n ASN 121 N -0.53 -0.85 -3.65 7.83 4.05 -0.36 -4.95 115.26 116.79 2wdx n ASN 121 Ca 0.05 -1.22 -0.10 0.00 0.45 0.00 0.00 54.58 53.77 2wdx n ASN 121 Cb 0.29 -2.01 -0.03 0.00 1.23 0.00 0.00 39.78 39.26 2wdx n ASN 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wdx s ALA 122 N -4.05 -1.14 -0.34 5.20 0.00 -1.05 -4.97 121.76 115.42 2wdx s ALA 122 Ca 0.14 -0.02 -0.24 0.00 0.00 0.00 0.00 51.96 51.85 2wdx s ALA 122 Cb -0.07 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.89 2wdx s ALA 122 CO 0.96 -0.80 0.81 -0.06 0.00 0.00 0.00 175.76 176.67 2wdx s PHE 123 N -3.84 3.14 -0.01 0.00 0.40 0.01 -0.46 117.98 117.23 2wdx s PHE 123 Ca 0.06 0.68 -0.30 0.00 -0.60 0.00 0.00 56.93 56.77 2wdx s PHE 123 Cb -0.01 -3.38 -0.05 0.00 0.51 0.00 0.00 43.02 40.10 2wdx s PHE 123 CO -0.06 -0.69 1.27 -1.17 0.70 0.00 0.00 175.22 175.27 2wdx s LEU 124 N 3.11 4.31 -0.10 -0.37 0.20 0.29 0.17 118.68 126.29 2wdx s LEU 124 Ca 0.33 1.97 -0.01 0.00 0.69 0.00 0.00 54.13 57.10 2wdx s LEU 124 Cb -0.13 -3.56 0.03 0.00 -0.43 0.00 0.00 46.19 42.10 2wdx s LEU 124 CO 0.16 -0.61 -0.00 -0.63 -0.29 0.00 0.00 176.35 174.98 2wdx s ILE 125 N 1.99 0.47 0.38 6.68 1.01 -0.00 -1.19 121.20 130.55 2wdx s ILE 125 Ca 0.59 -0.03 -0.20 0.00 0.00 0.00 0.00 60.65 61.01 2wdx s ILE 125 Cb -0.28 -0.67 -0.10 0.00 0.01 0.00 0.00 42.46 41.41 2wdx s ILE 125 CO 0.25 0.19 0.89 -1.61 0.00 0.00 0.00 174.94 174.66 2wdx s GLU 126 N 1.93 4.20 0.48 2.79 2.02 -0.04 -1.78 118.70 128.29 2wdx s GLU 126 Ca 0.04 1.01 0.16 0.00 0.02 0.00 0.00 54.97 56.21 2wdx s GLU 126 Cb -0.13 -2.33 1.15 0.00 0.10 0.00 0.00 34.13 32.93 2wdx s GLU 126 CO -0.06 0.06 2.04 -1.00 0.02 0.00 0.00 175.26 176.32 2wdx h PRO 127 N 2.17 0.22 0.00 0.39 0.13 -1.76 -2.56 132.00 130.60 2wdx h PRO 127 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2wdx h PRO 127 Cb 1.18 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2wdx h PRO 127 CO 0.63 0.15 0.00 0.78 -0.23 0.00 0.00 178.00 179.32 2wdx h GLY 128 N 0.23 0.00 -3.39 1.56 0.00 -1.18 -0.58 103.07 99.70 2wdx h GLY 128 Ca 0.19 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.99 2wdx h GLY 128 CO -0.03 0.00 0.61 -1.31 0.00 0.00 0.00 176.54 175.80 2wdx s ASN 129 N -4.62 6.29 0.51 0.19 0.01 -0.97 -4.80 114.94 111.56 2wdx s ASN 129 Ca 0.02 2.65 -0.19 0.00 -0.71 0.00 0.00 52.86 54.62 2wdx s ASN 129 Cb 0.09 -2.64 -0.08 0.00 0.41 0.00 0.00 41.25 39.04 2wdx s ASN 129 CO 0.39 -0.86 1.03 -0.89 -1.51 0.00 0.00 177.10 175.26 2wdx s THR 130 N -1.27 3.93 0.28 1.60 2.01 -1.26 0.01 115.64 120.93 2wdx s THR 130 Ca 0.57 1.10 -0.02 0.00 0.31 0.00 0.00 61.69 63.66 2wdx s THR 130 Cb -0.38 -3.47 0.27 0.00 0.01 0.00 0.00 72.50 68.93 2wdx s THR 130 CO 0.49 -0.35 1.91 -0.07 -0.69 0.00 0.00 174.62 175.90 2wdx h LEU 131 N 1.27 1.00 -1.00 4.42 3.38 0.41 -2.02 115.31 122.76 2wdx h LEU 131 Ca -0.49 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 2wdx h LEU 131 Cb 1.21 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2wdx h LEU 131 CO 0.59 0.67 -0.41 -1.28 0.09 0.00 0.00 178.44 178.10 2wdx h SER 132 N 1.15 0.19 -0.03 -0.43 0.87 -1.72 -0.32 113.55 113.25 2wdx h SER 132 Ca 0.39 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.74 2wdx h SER 132 Cb 0.09 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2wdx h SER 132 CO -0.14 0.58 -0.43 -0.33 -0.53 0.00 0.00 176.83 175.98 2wdx h GLU 133 N 0.15 0.56 0.31 2.24 5.08 -1.75 -2.76 114.58 118.42 2wdx h GLU 133 Ca 0.01 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 2wdx h GLU 133 Cb 0.79 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2wdx h GLU 133 CO 0.06 0.89 -0.15 0.28 -1.00 0.00 0.00 179.01 179.09 2wdx h VAL 134 N 0.46 0.71 -0.56 3.13 2.07 -0.61 -2.45 116.25 119.01 2wdx h VAL 134 Ca 0.03 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.15 2wdx h VAL 134 Cb 0.94 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 2wdx h VAL 134 CO 0.08 0.09 0.24 1.88 0.02 0.00 0.00 177.57 179.89 2wdx h TYR 135 N -0.68 0.43 0.19 1.57 0.05 -1.15 0.26 116.97 117.64 2wdx h TYR 135 Ca -0.04 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 2wdx h TYR 135 Cb 0.47 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.10 2wdx h TYR 135 CO 0.01 0.16 -0.09 0.93 -1.05 0.00 0.00 178.16 178.12 2wdx h GLU 136 N 0.46 -0.25 -0.34 4.88 3.07 -1.51 -1.55 114.58 119.33 2wdx h GLU 136 Ca 0.27 0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 58.98 2wdx h GLU 136 Cb 0.26 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2wdx h GLU 136 CO -0.23 -0.14 -0.42 -0.22 -1.40 0.00 0.00 179.01 176.60 2wdx h LYS 137 N -0.29 0.89 -0.69 2.33 3.11 -1.11 -1.01 116.57 119.79 2wdx h LYS 137 Ca -0.03 -0.50 -0.03 0.00 -2.81 0.00 0.00 60.65 57.29 2wdx h LYS 137 Cb 0.22 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.45 2wdx h LYS 137 CO 0.04 1.14 0.33 -0.07 -2.81 0.00 0.00 179.45 178.09 2wdx h LEU 138 N 0.69 0.89 0.39 5.20 4.07 -0.97 -0.41 115.31 125.18 2wdx h LEU 138 Ca 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 2wdx h LEU 138 Cb 1.02 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.53 2wdx h LEU 138 CO 0.10 0.76 -0.19 0.22 -1.08 0.00 0.00 178.44 178.25 2wdx h TYR 139 N 0.98 -0.49 -0.43 1.13 3.20 -1.06 -1.66 116.97 118.65 2wdx h TYR 139 Ca 0.24 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.12 2wdx h TYR 139 Cb 0.10 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 2wdx h TYR 139 CO 0.01 -0.19 0.26 -0.07 -1.64 0.00 0.00 178.16 176.53 2wdx h LEU 140 N -1.02 0.42 -0.54 2.82 3.38 -1.19 0.24 115.31 119.43 2wdx h LEU 140 Ca -0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 2wdx h LEU 140 Cb 0.52 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2wdx h LEU 140 CO 0.09 0.30 -0.34 1.23 0.09 0.00 0.00 178.44 179.81 2wdx h GLY 141 N 0.52 0.88 0.00 0.83 0.00 -1.12 -3.40 103.07 100.78 2wdx h GLY 141 Ca 0.17 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.65 2wdx h GLY 141 CO -0.07 0.77 0.00 0.79 0.00 0.00 0.00 176.54 178.03 2wdx n TRP 142 N -4.07 0.00 -3.29 5.60 8.01 -0.66 -5.04 117.44 117.99 2wdx n TRP 142 Ca -0.01 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 56.01 2wdx n TRP 142 Cb 0.50 0.00 0.07 0.00 -2.01 0.00 0.00 31.31 29.88 2wdx n TRP 142 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2wdx n ASN 143 N 0.00 -4.05 -4.14 -0.99 5.15 0.85 -4.63 115.26 107.46 2wdx n ASN 143 Ca 0.00 -0.47 -0.15 0.00 -0.60 0.00 0.00 54.58 53.36 2wdx n ASN 143 Cb 0.17 -4.22 -0.10 0.00 -0.53 0.00 0.00 39.78 35.11 2wdx n ASN 143 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2wdx s VAL 144 N -3.27 0.25 0.30 3.44 -7.23 -1.14 -4.33 120.40 108.42 2wdx s VAL 144 Ca 0.27 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 2wdx s VAL 144 Cb -0.12 -2.55 0.01 0.00 0.56 0.00 0.00 36.38 34.28 2wdx s VAL 144 CO 0.59 0.00 0.56 0.28 -0.31 0.00 0.00 175.10 176.22 2wdx s THR 145 N -3.86 0.00 0.03 5.32 -1.32 0.17 -2.92 115.64 113.06 2wdx s THR 145 Ca 0.38 -1.34 0.07 0.00 -1.21 0.00 0.00 61.69 59.59 2wdx s THR 145 Cb 0.07 -2.43 -0.02 0.00 -1.51 0.00 0.00 72.50 68.60 2wdx s THR 145 CO 0.15 0.00 -0.22 0.27 -2.21 0.00 0.00 174.62 172.61 2wdx s ILE 146 N -3.43 1.74 -1.37 5.08 -0.00 -1.26 -3.72 121.20 118.24 2wdx s ILE 146 Ca 0.22 -1.15 -0.15 0.00 -0.00 0.00 0.00 60.65 59.57 2wdx s ILE 146 Cb -0.02 -1.49 0.02 0.00 -0.00 0.00 0.00 42.46 40.97 2wdx s ILE 146 CO 0.12 0.30 2.17 -0.81 -0.00 0.00 0.00 174.94 176.72 2wdx n PRO 147 N 2.02 2.69 -0.33 0.37 -0.04 -1.26 -4.89 135.00 133.56 2wdx n PRO 147 Ca -0.17 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.76 2wdx n PRO 147 Cb 0.53 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 2wdx n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdx n GLY 148 N 4.22 6.20 3.72 0.55 0.00 -1.26 -3.58 105.19 115.04 2wdx n GLY 148 Ca 0.52 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 2wdx n GLY 148 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdx s GLY 149 N -0.37 2.13 -0.00 -0.02 0.00 -0.89 -3.16 107.32 105.00 2wdx s GLY 149 Ca 0.00 0.74 -0.14 0.00 0.00 0.00 0.00 44.72 45.32 2wdx s GLY 149 CO 0.00 1.14 0.84 -2.08 0.00 0.00 0.00 173.10 173.00 2wdx h VAL 150 N -0.70 0.00 -0.37 1.40 2.07 -1.99 -3.46 116.25 113.20 2wdx h VAL 150 Ca -0.46 -0.23 -0.72 0.00 0.82 0.00 0.00 66.70 66.11 2wdx h VAL 150 Cb 1.28 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2wdx h VAL 150 CO 0.48 0.00 1.38 0.00 0.02 0.00 0.00 177.57 179.45 2wdx n GLY 152 N 7.12 -1.55 0.00 0.00 0.00 -1.26 -2.25 105.19 107.25 2wdx n GLY 152 Ca 0.51 0.73 0.09 0.00 0.00 0.00 0.00 46.02 47.35 2wdx n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 153 N -1.18 -0.75 3.73 -0.02 0.00 -1.26 -2.35 105.19 103.36 2wdx n GLY 153 Ca 0.02 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2wdx n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdx s VAL 154 N -2.37 3.36 0.10 1.61 1.01 -0.95 -4.79 120.40 118.37 2wdx s VAL 154 Ca 0.20 1.09 -0.08 0.00 0.00 0.00 0.00 61.98 63.19 2wdx s VAL 154 Cb 0.12 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 2wdx s VAL 154 CO 0.24 0.15 0.39 -0.83 0.00 0.00 0.00 175.10 175.05 2wdx s GLY 155 N 0.46 2.29 0.25 4.51 0.00 -1.26 0.70 107.32 114.28 2wdx s GLY 155 Ca 0.57 -0.46 -0.04 0.00 0.00 0.00 0.00 44.72 44.80 2wdx s GLY 155 CO 0.36 -0.29 1.85 -2.08 0.00 0.00 0.00 173.10 172.93 2wdx h VAL 156 N 2.54 1.00 -0.02 1.40 2.07 -0.23 -2.87 116.25 120.14 2wdx h VAL 156 Ca -0.48 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 66.73 2wdx h VAL 156 Cb 1.18 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 2wdx h VAL 156 CO 0.69 0.18 -0.53 1.23 0.02 0.00 0.00 177.57 179.16 2wdx h GLY 157 N 0.97 -1.08 1.55 2.17 0.00 -1.36 -2.58 103.07 102.75 2wdx h GLY 157 Ca 0.41 0.65 -0.19 0.00 0.00 0.00 0.00 47.33 48.20 2wdx h GLY 157 CO -0.20 -0.23 -0.75 -1.33 0.00 0.00 0.00 176.54 174.02 2wdx h GLY 158 N -0.65 0.48 0.54 4.60 0.00 -1.87 -3.39 103.07 102.78 2wdx h GLY 158 Ca 0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 2wdx h GLY 158 CO -0.37 0.62 -0.08 0.84 0.00 0.00 0.00 176.54 177.55 2wdx h HIS 159 N 0.29 -0.20 0.03 5.60 -0.00 -1.24 -2.93 115.15 116.70 2wdx h HIS 159 Ca -0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2wdx h HIS 159 Cb 1.34 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.82 2wdx h HIS 159 CO 0.05 0.21 -0.01 0.82 -0.00 0.00 0.00 177.93 178.99 2wdx h ILE 160 N -0.68 1.05 0.00 6.26 2.04 -1.68 -1.26 117.51 123.24 2wdx h ILE 160 Ca -0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2wdx h ILE 160 Cb 0.49 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2wdx h ILE 160 CO 0.04 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.25 2wdx n GLY 162 N 0.25 -1.36 0.00 0.00 0.00 -0.97 -0.88 105.19 102.23 2wdx n GLY 162 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2wdx n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 163 N 1.30 0.89 3.64 -0.02 0.00 -0.77 -4.02 105.19 106.20 2wdx n GLY 163 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2wdx n GLY 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 164 N 0.00 -0.46 3.60 -0.02 0.00 -0.54 -4.74 105.19 103.02 2wdx n GLY 164 Ca 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 2wdx n GLY 164 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wdx s TYR 165 N -2.33 -0.28 0.00 1.61 1.13 -1.26 -1.50 117.35 114.72 2wdx s TYR 165 Ca 0.69 0.07 0.00 0.00 -1.41 0.00 0.00 57.07 56.41 2wdx s TYR 165 Cb -0.26 0.58 0.00 0.00 -1.10 0.00 0.00 41.96 41.18 2wdx s TYR 165 CO 0.56 -0.69 0.00 0.41 -2.51 0.00 0.00 175.55 173.32 2wdx n GLY 166 N -0.34 1.35 0.39 5.49 0.00 -1.19 -2.10 105.19 108.78 2wdx n GLY 166 Ca -0.08 -0.50 0.17 0.00 0.00 0.00 0.00 46.02 45.60 2wdx n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wdx h PRO 167 N 0.00 0.39 -0.01 1.61 0.11 -1.92 0.22 132.00 132.41 2wdx h PRO 167 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2wdx h PRO 167 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 2wdx h PRO 167 CO 0.00 0.26 -0.09 1.28 -0.21 0.00 0.00 178.00 179.24 2wdx n LEU 168 N -4.48 0.88 0.19 2.35 4.77 -1.26 -4.35 117.00 115.09 2wdx n LEU 168 Ca 0.16 -0.23 0.05 0.00 -0.03 0.00 0.00 56.01 55.96 2wdx n LEU 168 Cb 0.58 -0.08 0.50 0.00 -2.33 0.00 0.00 43.42 42.09 2wdx n LEU 168 CO 0.32 0.15 0.94 0.28 -1.33 0.00 0.00 177.39 177.76 2wdx h SER 169 N 1.24 0.08 0.40 -1.43 0.02 -0.71 0.38 113.55 113.53 2wdx h SER 169 Ca 0.00 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 2wdx h SER 169 Cb 0.39 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2wdx h SER 169 CO 0.00 0.20 -0.46 0.03 -1.14 0.00 0.00 176.83 175.46 2wdx h ARG 170 N 0.08 0.07 0.16 3.45 3.08 -1.76 0.58 114.38 120.04 2wdx h ARG 170 Ca 0.02 -0.04 -0.33 0.00 0.07 0.00 0.00 59.98 59.70 2wdx h ARG 170 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2wdx h ARG 170 CO 0.02 0.52 -1.62 0.37 -1.07 0.00 0.00 179.97 178.18 2wdx h GLN 171 N 0.06 0.33 0.00 0.04 4.15 -0.89 0.89 115.11 119.70 2wdx h GLN 171 Ca 0.00 -0.57 0.00 0.00 0.77 0.00 0.00 58.65 58.86 2wdx h GLN 171 Cb 0.84 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.74 2wdx h GLN 171 CO 0.06 1.22 -0.74 1.19 -1.93 0.00 0.00 178.83 178.63 2wdx n PHE 172 N -3.53 0.00 -0.52 3.99 3.72 0.12 -4.72 117.46 116.52 2wdx n PHE 172 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 2wdx n PHE 172 Cb 1.06 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 2wdx n PHE 172 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdx n GLY 173 N 1.89 -2.01 3.78 1.37 0.00 0.20 -4.89 105.19 105.53 2wdx n GLY 173 Ca -0.00 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 2wdx n GLY 173 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wdx s SER 174 N -3.58 5.75 0.55 1.61 0.15 -1.26 -4.12 113.70 112.79 2wdx s SER 174 Ca 0.00 2.11 0.24 0.00 0.70 0.00 0.00 55.95 58.99 2wdx s SER 174 Cb 0.00 -2.57 1.45 0.00 -1.71 0.00 0.00 66.02 63.19 2wdx s SER 174 CO 0.00 -1.20 2.08 -0.37 1.20 0.00 0.00 173.24 174.96 2wdx h VAL 175 N 1.09 0.73 0.00 4.45 -1.51 -1.32 -0.38 116.25 119.32 2wdx h VAL 175 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2wdx h VAL 175 Cb 1.25 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 2wdx h VAL 175 CO 0.57 0.00 0.00 -0.37 -1.23 0.00 0.00 177.57 176.54 2wdx h VAL 176 N 0.00 0.00 0.00 7.19 -1.51 -1.82 -0.43 116.25 119.68 2wdx h VAL 176 Ca 0.11 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2wdx h VAL 176 Cb 0.50 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 2wdx h VAL 176 CO -0.00 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.81 2wdx n ASP 177 N -2.41 0.00 -0.01 4.19 10.43 -0.15 -2.89 116.55 125.70 2wdx n ASP 177 Ca 0.02 -0.87 0.01 0.00 2.57 0.00 0.00 54.79 56.52 2wdx n ASP 177 Cb 0.27 0.00 0.02 0.00 1.84 0.00 0.00 41.12 43.24 2wdx n ASP 177 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2wdx n TYR 178 N -0.99 0.00 -2.81 1.24 4.01 -0.17 -4.43 117.16 114.01 2wdx n TYR 178 Ca 0.20 -0.52 -0.43 0.00 -0.16 0.00 0.00 57.90 56.99 2wdx n TYR 178 Cb 0.09 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 39.02 2wdx n TYR 178 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2wdx s LEU 179 N -1.15 4.04 0.02 7.72 2.96 -1.14 0.13 118.68 131.26 2wdx s LEU 179 Ca 0.04 -0.32 -0.18 0.00 -0.22 0.00 0.00 54.13 53.45 2wdx s LEU 179 Cb 0.03 -2.85 -0.29 0.00 0.50 0.00 0.00 46.19 43.58 2wdx s LEU 179 CO 0.00 -1.26 1.04 0.22 -1.32 0.00 0.00 176.35 175.04 2wdx h TYR 180 N 9.34 0.81 -2.70 5.38 3.20 -0.77 -3.45 116.97 128.78 2wdx h TYR 180 Ca -0.26 -0.52 0.06 0.00 3.14 0.00 0.00 58.73 61.15 2wdx h TYR 180 Cb 1.07 -0.06 -0.11 0.00 1.54 0.00 0.00 36.73 39.17 2wdx h TYR 180 CO 0.93 1.37 0.33 0.00 -1.64 0.00 0.00 178.16 179.15 2wdx s ALA 181 N -2.86 -1.60 -0.02 1.82 0.00 -1.09 -0.83 121.76 117.18 2wdx s ALA 181 Ca -0.11 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 2wdx s ALA 181 Cb 0.04 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.88 2wdx s ALA 181 CO 0.89 -0.84 0.06 0.54 0.00 0.00 0.00 175.76 176.41 2wdx s VAL 182 N -3.54 0.00 -0.23 0.00 0.11 -0.14 -0.87 120.40 115.73 2wdx s VAL 182 Ca 0.06 -0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 58.99 2wdx s VAL 182 Cb -0.02 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.68 2wdx s VAL 182 CO -0.06 -0.02 0.10 -0.70 -3.33 0.00 0.00 175.10 171.10 2wdx s GLU 183 N -0.01 3.89 -0.06 1.54 2.12 0.86 -1.15 118.70 125.89 2wdx s GLU 183 Ca -0.01 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 54.97 2wdx s GLU 183 Cb -0.01 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 31.01 2wdx s GLU 183 CO 0.00 0.01 -0.09 0.08 -0.54 0.00 0.00 175.26 174.72 2wdx s VAL 184 N 1.12 0.89 -0.31 3.70 1.01 0.11 -0.07 120.40 126.85 2wdx s VAL 184 Ca 0.05 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 2wdx s VAL 184 Cb -0.14 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.40 2wdx s VAL 184 CO 0.04 0.30 0.81 -0.69 0.00 0.00 0.00 175.10 175.56 2wdx s VAL 185 N 0.75 4.77 0.21 2.92 1.01 0.66 -0.16 120.40 130.56 2wdx s VAL 185 Ca -0.13 1.21 0.09 0.00 0.00 0.00 0.00 61.98 63.14 2wdx s VAL 185 Cb -0.15 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2wdx s VAL 185 CO 0.02 -0.28 -0.04 0.68 0.00 0.00 0.00 175.10 175.49 2wdx s VAL 186 N 3.02 3.44 -0.20 2.92 -7.23 -0.62 -0.82 120.40 120.91 2wdx s VAL 186 Ca 0.33 -1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 58.79 2wdx s VAL 186 Cb -0.14 -2.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 2wdx s VAL 186 CO 0.13 -0.20 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.97 2wdx s VAL 187 N -1.93 3.35 0.84 1.32 1.01 -1.26 -1.23 120.40 122.51 2wdx s VAL 187 Ca 0.28 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 2wdx s VAL 187 Cb -0.08 -2.50 0.14 0.00 0.00 0.00 0.00 36.38 33.94 2wdx s VAL 187 CO 0.18 0.44 1.18 0.54 0.00 0.00 0.00 175.10 177.44 2wdx s ASN 188 N 1.25 3.89 0.35 3.32 6.03 -0.72 -4.36 114.94 124.70 2wdx s ASN 188 Ca 0.03 0.28 0.07 0.00 -1.03 0.00 0.00 52.86 52.21 2wdx s ASN 188 Cb -0.14 -0.58 0.75 0.00 -3.03 0.00 0.00 41.25 38.25 2wdx s ASN 188 CO -0.02 -2.22 1.92 0.07 -2.03 0.00 0.00 177.10 174.82 2wdx h LYS 189 N -1.15 0.73 -0.01 3.55 2.10 -1.95 0.25 116.57 120.09 2wdx h LYS 189 Ca -0.43 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2wdx h LYS 189 Cb 1.27 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2wdx h LYS 189 CO 0.47 0.49 0.00 1.04 -2.00 0.00 0.00 179.45 179.45 2wdx n GLN 190 N -4.50 1.03 -1.05 0.07 3.00 -1.26 -4.84 117.38 109.83 2wdx n GLN 190 Ca 0.13 -0.05 -0.02 0.00 -0.01 0.00 0.00 57.00 57.06 2wdx n GLN 190 Cb 0.31 -1.07 -0.01 0.00 0.00 0.00 0.00 30.24 29.48 2wdx n GLN 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wdx n GLY 191 N 0.58 0.52 3.89 1.08 0.00 0.87 -5.04 105.19 107.08 2wdx n GLY 191 Ca 0.03 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 2wdx n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdx s LYS 192 N -1.79 3.50 0.44 1.61 1.02 -1.26 -4.81 119.74 118.45 2wdx s LYS 192 Ca 0.00 -0.14 -0.15 0.00 0.02 0.00 0.00 55.97 55.70 2wdx s LYS 192 Cb 0.00 -3.14 -0.08 0.00 -0.52 0.00 0.00 37.83 34.09 2wdx s LYS 192 CO 0.00 0.71 0.88 0.00 -0.92 0.00 0.00 175.35 176.02 2wdx s ALA 193 N -1.18 3.18 -0.14 5.17 0.00 -1.26 -1.76 121.76 125.77 2wdx s ALA 193 Ca 0.22 0.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.19 2wdx s ALA 193 Cb -0.13 -2.95 0.05 0.00 0.00 0.00 0.00 23.12 20.10 2wdx s ALA 193 CO 0.12 -0.01 0.35 0.50 0.00 0.00 0.00 175.76 176.71 2wdx s ARG 194 N -3.67 0.33 -0.31 0.00 3.52 -0.36 -4.97 118.95 113.49 2wdx s ARG 194 Ca 0.56 0.67 -0.17 0.00 -0.13 0.00 0.00 55.73 56.66 2wdx s ARG 194 Cb -0.10 -0.04 -0.02 0.00 -1.56 0.00 0.00 34.95 33.23 2wdx s ARG 194 CO 0.26 -0.15 0.45 0.08 -0.81 0.00 0.00 175.30 175.13 2wdx s VAL 195 N 1.23 5.09 -0.11 7.11 1.01 -1.26 -1.59 120.40 131.89 2wdx s VAL 195 Ca -0.09 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.37 2wdx s VAL 195 Cb -0.09 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 2wdx s VAL 195 CO -0.10 -0.03 -0.12 -0.63 0.00 0.00 0.00 175.10 174.22 2wdx s ILE 196 N 2.23 3.14 -0.41 2.22 1.01 0.78 -4.96 121.20 125.21 2wdx s ILE 196 Ca 0.17 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 2wdx s ILE 196 Cb -0.16 -2.30 0.04 0.00 0.01 0.00 0.00 42.46 40.05 2wdx s ILE 196 CO 0.11 0.54 0.29 -0.69 0.00 0.00 0.00 174.94 175.19 2wdx s VAL 197 N 0.04 4.99 -0.18 2.92 1.01 -1.26 0.09 120.40 128.01 2wdx s VAL 197 Ca -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 2wdx s VAL 197 Cb -0.14 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2wdx s VAL 197 CO 0.04 -0.36 -0.07 0.00 0.00 0.00 0.00 175.10 174.72 2wdx s ALA 198 N 1.62 2.81 0.39 5.51 0.00 -0.30 -4.93 121.76 126.86 2wdx s ALA 198 Ca 0.04 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.09 2wdx s ALA 198 Cb -0.20 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 2wdx s ALA 198 CO 0.08 -0.05 0.16 0.95 0.00 0.00 0.00 175.76 176.90 2wdx s THR 199 N 0.83 2.54 -0.95 0.00 -4.23 -1.26 -0.97 115.64 111.61 2wdx s THR 199 Ca -0.02 -1.71 0.22 0.00 -1.18 0.00 0.00 61.69 58.99 2wdx s THR 199 Cb -0.15 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.91 2wdx s THR 199 CO 0.01 -0.07 1.69 -1.14 -0.54 0.00 0.00 174.62 174.57 2wdx n ARG 200 N -1.19 0.03 -1.80 3.99 0.63 -0.01 -4.47 116.66 113.83 2wdx n ARG 200 Ca -0.02 0.16 -0.41 0.00 -0.92 0.00 0.00 57.85 56.66 2wdx n ARG 200 Cb 0.63 -1.54 -0.01 0.00 0.45 0.00 0.00 32.46 31.99 2wdx n ARG 200 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2wdx s GLU 201 N -3.03 4.13 0.25 -0.14 2.02 -1.26 -4.89 118.70 115.78 2wdx s GLU 201 Ca 0.10 2.56 -0.03 0.00 0.02 0.00 0.00 54.97 57.62 2wdx s GLU 201 Cb 0.13 -3.02 0.51 0.00 0.10 0.00 0.00 34.13 31.85 2wdx s GLU 201 CO 0.40 -0.59 1.73 0.00 0.02 0.00 0.00 175.26 176.81 2wdx h ARG 202 N 4.41 0.44 0.00 1.61 -0.00 -2.00 -1.79 114.38 117.04 2wdx h ARG 202 Ca -0.48 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 58.98 2wdx h ARG 202 Cb 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 31.10 2wdx h ARG 202 CO 0.75 0.29 -0.11 -0.40 0.00 0.00 0.00 179.97 180.50 2wdx n ASP 203 N -5.00 0.27 -4.69 7.04 5.75 -1.26 -4.87 116.55 113.79 2wdx n ASP 203 Ca 0.16 0.38 -0.43 0.00 -0.01 0.00 0.00 54.79 54.89 2wdx n ASP 203 Cb 0.45 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 2wdx n ASP 203 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2wdx n ASP 204 N -1.68 3.99 0.20 -1.12 -0.08 -0.68 -4.84 116.55 112.35 2wdx n ASP 204 Ca 0.06 1.00 0.18 0.00 -1.51 0.00 0.00 54.79 54.53 2wdx n ASP 204 Cb 0.36 -1.54 0.82 0.00 2.34 0.00 0.00 41.12 43.10 2wdx n ASP 204 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2wdx h PRO 205 N 8.20 0.00 -0.22 -0.67 0.13 -1.90 -1.48 132.00 136.06 2wdx h PRO 205 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 2wdx h PRO 205 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 2wdx h PRO 205 CO 0.95 0.00 -0.13 0.72 -0.23 0.00 0.00 178.00 179.30 2wdx n HIS 206 N -3.57 0.72 -0.09 1.56 8.25 -1.26 -4.71 115.22 116.12 2wdx n HIS 206 Ca 0.03 -1.37 0.25 0.00 -0.26 0.00 0.00 57.72 56.36 2wdx n HIS 206 Cb 0.42 -0.37 0.72 0.00 1.12 0.00 0.00 29.99 31.87 2wdx n HIS 206 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wdx h HIS 207 N 1.02 0.00 -0.02 4.41 2.76 -1.49 -1.07 115.15 120.75 2wdx h HIS 207 Ca 0.11 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.10 2wdx h HIS 207 Cb 1.41 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.36 2wdx h HIS 207 CO 0.75 0.00 -0.80 -0.44 -1.30 0.00 0.00 177.93 176.14 2wdx h ASP 208 N 0.00 0.31 -0.32 3.26 5.19 -1.85 -2.42 116.42 120.59 2wdx h ASP 208 Ca 0.34 -0.23 -0.12 0.00 -0.62 0.00 0.00 57.03 56.41 2wdx h ASP 208 Cb 1.45 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.86 2wdx h ASP 208 CO -0.00 0.99 -0.27 0.25 -3.12 0.00 0.00 179.24 177.09 2wdx h LEU 209 N 0.15 0.78 -0.28 1.55 6.46 -1.57 -2.35 115.31 120.05 2wdx h LEU 209 Ca -0.04 -0.45 0.07 0.00 -0.12 0.00 0.00 57.88 57.33 2wdx h LEU 209 Cb 1.40 -0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 41.04 2wdx h LEU 209 CO 0.13 1.07 -0.19 -0.25 -0.62 0.00 0.00 178.44 178.58 2wdx h TRP 210 N 0.50 -0.48 -0.45 1.25 7.01 -1.48 -3.02 115.95 119.28 2wdx h TRP 210 Ca 0.06 0.04 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 2wdx h TRP 210 Cb 0.83 0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 28.12 2wdx h TRP 210 CO 0.07 -0.26 0.10 2.35 -2.79 0.00 0.00 178.44 177.90 2wdx h TRP 211 N -0.17 0.69 0.00 2.65 7.01 -1.34 -1.11 115.95 123.69 2wdx h TRP 211 Ca 0.15 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 2wdx h TRP 211 Cb 0.39 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 27.25 2wdx h TRP 211 CO -0.37 0.60 -0.04 0.00 -2.79 0.00 0.00 178.44 175.83 2wdx h ALA 212 N 1.46 1.05 -0.17 2.65 0.00 -1.30 -2.42 119.26 120.52 2wdx h ALA 212 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wdx h ALA 212 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wdx h ALA 212 CO -0.00 0.05 0.00 0.72 0.00 0.00 0.00 179.25 180.02 2wdx n HIS 213 N -3.21 0.21 -0.99 0.00 8.25 -0.43 -1.21 115.22 117.85 2wdx n HIS 213 Ca -0.01 -0.10 -0.19 0.00 -0.26 0.00 0.00 57.72 57.16 2wdx n HIS 213 Cb 0.26 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.40 2wdx n HIS 213 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wdx n THR 214 N 0.79 2.89 0.00 1.59 -2.24 -0.91 -4.05 114.28 112.35 2wdx n THR 214 Ca 0.17 -1.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 2wdx n THR 214 Cb 0.46 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 2wdx n THR 214 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdx n GLY 215 N 0.32 0.25 0.27 3.38 0.00 -0.62 -2.31 105.19 106.49 2wdx n GLY 215 Ca 0.34 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.48 2wdx n GLY 215 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wdx h GLY 216 N 0.00 0.00 0.00 -0.02 0.00 -0.24 -3.43 103.07 99.38 2wdx h GLY 216 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wdx h GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2wdx n GLY 217 N -1.20 0.11 3.85 4.60 0.00 -0.06 -4.96 105.19 107.53 2wdx n GLY 217 Ca -0.03 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 2wdx n GLY 217 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdx s GLY 218 N -1.50 1.62 -0.41 -0.02 0.00 -1.26 -4.29 107.32 101.45 2wdx s GLY 218 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.37 2wdx s GLY 218 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.78 2wdx n GLY 219 N -2.66 0.68 0.57 0.20 0.00 -1.26 -4.92 105.19 97.79 2wdx n GLY 219 Ca 0.07 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 2wdx n GLY 219 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdx n ASN 220 N 0.99 1.02 -0.00 1.61 5.03 -1.26 -3.50 115.26 119.15 2wdx n ASN 220 Ca -0.04 0.15 0.06 0.00 0.87 0.00 0.00 54.58 55.63 2wdx n ASN 220 Cb 0.15 -0.39 -0.10 0.00 -1.02 0.00 0.00 39.78 38.42 2wdx n ASN 220 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2wdx n PHE 221 N -3.57 0.00 -0.61 3.10 3.72 -1.26 -4.64 117.46 114.20 2wdx n PHE 221 Ca -0.26 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 2wdx n PHE 221 Cb 0.69 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 2wdx n PHE 221 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdx n GLY 222 N 1.69 0.41 3.55 1.37 0.00 -1.26 -4.60 105.19 106.35 2wdx n GLY 222 Ca -0.02 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 2wdx n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdx s VAL 223 N -1.93 5.20 -0.10 1.61 1.01 0.00 -4.72 120.40 121.48 2wdx s VAL 223 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2wdx s VAL 223 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2wdx s VAL 223 CO 0.00 -0.02 1.23 -0.69 0.00 0.00 0.00 175.10 175.62 2wdx s VAL 224 N 1.95 4.25 -0.04 2.92 1.01 -1.26 -0.25 120.40 128.99 2wdx s VAL 224 Ca 0.11 1.56 0.15 0.00 0.00 0.00 0.00 61.98 63.80 2wdx s VAL 224 Cb -0.17 -4.00 -0.23 0.00 0.00 0.00 0.00 36.38 31.98 2wdx s VAL 224 CO 0.11 -0.05 0.30 0.35 0.00 0.00 0.00 175.10 175.81 2wdx n THR 225 N 4.91 0.13 -3.74 3.92 -2.24 0.90 -4.78 114.28 113.37 2wdx n THR 225 Ca 0.12 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 2wdx n THR 225 Cb 0.46 0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 2wdx n THR 225 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wdx s LYS 226 N -2.97 0.45 0.03 -0.78 1.02 -1.19 -4.35 119.74 111.95 2wdx s LYS 226 Ca -0.06 0.54 0.03 0.00 0.02 0.00 0.00 55.97 56.50 2wdx s LYS 226 Cb 0.09 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.58 2wdx s LYS 226 CO 0.63 -0.06 0.00 0.71 -0.92 0.00 0.00 175.35 175.72 2wdx s TYR 227 N 0.23 3.05 -0.19 3.18 1.51 -0.74 -0.10 117.35 124.30 2wdx s TYR 227 Ca -0.00 0.04 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 2wdx s TYR 227 Cb -0.03 -1.63 0.01 0.00 -0.11 0.00 0.00 41.96 40.20 2wdx s TYR 227 CO 0.00 0.47 -0.14 -1.58 -1.11 0.00 0.00 175.55 173.19 2wdx s TRP 228 N -1.17 2.84 -0.03 2.71 0.51 -0.05 -0.82 118.94 122.92 2wdx s TRP 228 Ca 0.22 -1.29 0.02 0.00 -2.12 0.00 0.00 56.10 52.93 2wdx s TRP 228 Cb -0.12 -1.97 -0.03 0.00 -0.81 0.00 0.00 33.47 30.54 2wdx s TRP 228 CO 0.13 -0.65 -0.06 -1.64 -0.51 0.00 0.00 176.95 174.22 2wdx s MET 229 N 1.25 2.67 -0.29 4.98 -1.94 0.13 -0.15 119.30 125.95 2wdx s MET 229 Ca 0.03 -0.62 -0.24 0.00 -1.71 0.00 0.00 55.69 53.15 2wdx s MET 229 Cb -0.14 -2.56 0.16 0.00 2.01 0.00 0.00 34.83 34.30 2wdx s MET 229 CO -0.07 0.64 1.24 0.50 -0.01 0.00 0.00 175.02 177.31 2wdx s ARG 230 N -1.11 0.27 0.33 2.03 3.52 0.12 -0.81 118.95 123.30 2wdx s ARG 230 Ca 0.15 0.33 -0.27 0.00 -0.13 0.00 0.00 55.73 55.81 2wdx s ARG 230 Cb -0.11 0.12 -0.13 0.00 -1.56 0.00 0.00 34.95 33.27 2wdx s ARG 230 CO 0.04 -0.03 0.99 1.55 -0.81 0.00 0.00 175.30 177.04 2wdx n VAL 231 N 2.02 2.08 -0.24 7.11 3.14 0.13 -4.36 118.33 128.20 2wdx n VAL 231 Ca -0.12 -0.50 -0.08 0.00 -2.96 0.00 0.00 64.34 60.68 2wdx n VAL 231 Cb 0.56 -1.03 0.04 0.00 -1.06 0.00 0.00 33.84 32.35 2wdx n VAL 231 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2wdx h PRO 232 N 1.84 1.07 -6.99 1.45 0.11 -1.92 -3.44 132.00 124.11 2wdx h PRO 232 Ca -0.41 -0.27 -0.54 0.00 0.11 0.00 0.00 66.00 64.89 2wdx h PRO 232 Cb 1.34 -0.13 0.11 0.00 0.11 0.00 0.00 31.00 32.42 2wdx h PRO 232 CO 0.59 0.97 0.63 -1.21 -0.21 0.00 0.00 178.00 178.77 2wdx s GLU 233 N -5.26 3.64 -0.18 1.05 8.01 -1.26 -4.94 118.70 119.76 2wdx s GLU 233 Ca -0.12 2.22 -0.29 0.00 0.01 0.00 0.00 54.97 56.79 2wdx s GLU 233 Cb 0.14 -2.56 -0.04 0.00 -4.31 0.00 0.00 34.13 27.36 2wdx s GLU 233 CO 0.84 -0.79 1.75 0.34 0.01 0.00 0.00 175.26 177.42 2wdx s ASP 234 N -0.78 6.26 -0.02 -0.19 -1.08 -1.26 -4.87 116.67 114.72 2wdx s ASP 234 Ca 0.63 1.83 0.03 0.00 -0.52 0.00 0.00 52.55 54.52 2wdx s ASP 234 Cb -0.39 -2.53 0.05 0.00 -1.46 0.00 0.00 42.92 38.59 2wdx s ASP 234 CO 0.49 -1.32 1.00 1.33 0.52 0.00 0.00 175.17 177.19 2wdx n VAL 235 N 6.45 1.09 0.00 1.11 0.24 -1.26 -5.13 118.33 120.83 2wdx n VAL 235 Ca 0.20 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 2wdx n VAL 235 Cb 0.45 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 2wdx n VAL 235 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdx n GLY 236 N -0.63 -1.34 0.71 7.63 0.00 -1.26 -4.74 105.19 105.55 2wdx n GLY 236 Ca 0.03 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 44.03 2wdx n GLY 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdx n ARG 237 N 0.00 1.57 -2.40 1.61 5.12 -1.26 -4.95 116.66 116.35 2wdx n ARG 237 Ca 0.00 -1.64 -0.42 0.00 -1.93 0.00 0.00 57.85 53.87 2wdx n ARG 237 Cb 0.00 -1.33 -0.03 0.00 -1.16 0.00 0.00 32.46 29.94 2wdx n ARG 237 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2wdx s ASN 238 N -1.29 6.13 0.52 0.55 3.04 -1.26 -4.89 114.94 117.74 2wdx s ASN 238 Ca 0.22 0.25 0.35 0.00 0.04 0.00 0.00 52.86 53.72 2wdx s ASN 238 Cb 0.14 -2.55 1.50 0.00 -1.54 0.00 0.00 41.25 38.81 2wdx s ASN 238 CO 0.21 -1.71 1.77 -0.65 -3.04 0.00 0.00 177.10 173.68 2wdx h PRO 239 N 10.99 0.06 0.00 0.43 0.11 -1.99 0.68 132.00 142.28 2wdx h PRO 239 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2wdx h PRO 239 Cb 1.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2wdx h PRO 239 CO 1.18 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 179.40 2wdx n GLU 240 N -4.25 0.02 0.00 1.05 1.02 -1.26 -1.89 120.64 115.33 2wdx n GLU 240 Ca 0.28 0.28 0.11 0.00 -0.02 0.00 0.00 57.16 57.81 2wdx n GLU 240 Cb 1.28 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 31.17 2wdx n GLU 240 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wdx n ARG 241 N -1.59 0.59 0.00 3.49 3.00 0.24 -4.58 116.66 117.80 2wdx n ARG 241 Ca 0.03 -0.47 0.13 0.00 -0.01 0.00 0.00 57.85 57.53 2wdx n ARG 241 Cb 0.17 -1.49 0.40 0.00 0.00 0.00 0.00 32.46 31.55 2wdx n ARG 241 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2wdx n LEU 242 N -0.80 0.58 -3.82 0.55 4.77 -0.79 -4.86 117.00 112.63 2wdx n LEU 242 Ca 0.07 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 2wdx n LEU 242 Cb 0.39 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 2wdx n LEU 242 CO 0.34 0.12 -0.05 -0.76 -1.33 0.00 0.00 177.39 175.71 2wdx s LEU 243 N -2.76 1.24 0.16 2.23 1.43 -1.26 0.17 118.68 119.90 2wdx s LEU 243 Ca 0.19 -0.58 -0.33 0.00 -1.03 0.00 0.00 54.13 52.38 2wdx s LEU 243 Cb 0.19 1.17 -0.16 0.00 0.03 0.00 0.00 46.19 47.42 2wdx s LEU 243 CO 0.58 -0.74 1.22 -2.65 0.23 0.00 0.00 176.35 174.99 2wdx n PRO 244 N -0.05 1.25 -2.78 1.29 -0.02 -1.24 -4.70 135.00 128.75 2wdx n PRO 244 Ca -0.15 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 2wdx n PRO 244 Cb 0.62 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 2wdx n PRO 244 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2wdx s LYS 245 N -0.22 4.36 0.65 -0.52 2.20 -1.26 -0.66 119.74 124.29 2wdx s LYS 245 Ca 0.75 1.22 -0.14 0.00 -0.36 0.00 0.00 55.97 57.43 2wdx s LYS 245 Cb -0.85 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 31.90 2wdx s LYS 245 CO 0.51 -0.34 1.08 -1.25 -0.36 0.00 0.00 175.35 174.99 2wdx s PRO 246 N 2.14 2.99 0.40 4.03 0.04 -1.26 -4.93 135.00 138.40 2wdx s PRO 246 Ca 0.43 1.20 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 2wdx s PRO 246 Cb -0.17 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 2wdx s PRO 246 CO 0.14 -1.08 1.39 -2.14 0.04 0.00 0.00 177.00 175.36 2wdx s PRO 247 N -4.36 3.99 0.14 0.56 0.02 -1.26 -4.94 135.00 129.15 2wdx s PRO 247 Ca 0.63 2.36 -0.19 0.00 0.02 0.00 0.00 61.00 63.82 2wdx s PRO 247 Cb -0.17 -2.84 0.02 0.00 0.02 0.00 0.00 34.50 31.53 2wdx s PRO 247 CO 0.44 -0.55 1.68 0.00 -0.33 0.00 0.00 177.00 178.24 2wdx h ALA 248 N 2.79 0.16 -2.47 -1.55 0.00 -1.96 -3.38 119.26 112.85 2wdx h ALA 248 Ca -0.50 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 2wdx h ALA 248 Cb 1.25 0.24 -0.17 0.00 0.00 0.00 0.00 17.79 19.11 2wdx h ALA 248 CO 0.63 -0.48 -0.69 0.95 0.00 0.00 0.00 179.25 179.65 2wdx s THR 249 N -6.20 0.36 0.00 0.00 -4.23 -1.26 0.17 115.64 104.48 2wdx s THR 249 Ca -0.14 -1.61 0.08 0.00 -1.18 0.00 0.00 61.69 58.84 2wdx s THR 249 Cb 0.12 -1.24 -0.02 0.00 1.34 0.00 0.00 72.50 72.69 2wdx s THR 249 CO 0.69 -0.81 -0.23 -0.76 -0.54 0.00 0.00 174.62 172.97 2wdx s LEU 250 N -2.55 2.09 -0.30 4.79 2.01 0.89 -1.67 118.68 123.93 2wdx s LEU 250 Ca 0.02 -0.47 -0.26 0.00 0.01 0.00 0.00 54.13 53.44 2wdx s LEU 250 Cb 0.02 -1.17 0.01 0.00 0.01 0.00 0.00 46.19 45.06 2wdx s LEU 250 CO -0.06 0.26 0.92 -0.22 1.01 0.00 0.00 176.35 178.26 2wdx s LEU 251 N -0.77 4.03 0.08 1.79 2.96 -0.51 0.28 118.68 126.53 2wdx s LEU 251 Ca 0.09 0.91 0.09 0.00 -0.22 0.00 0.00 54.13 55.00 2wdx s LEU 251 Cb -0.09 -3.30 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 2wdx s LEU 251 CO 0.00 -0.71 -0.24 0.42 -1.32 0.00 0.00 176.35 174.50 2wdx s THR 252 N 3.22 2.38 -0.09 3.68 -4.23 0.16 -0.82 115.64 119.94 2wdx s THR 252 Ca 0.39 -1.47 -0.13 0.00 -1.18 0.00 0.00 61.69 59.30 2wdx s THR 252 Cb -0.14 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.74 2wdx s THR 252 CO 0.12 0.25 0.34 -0.55 -0.54 0.00 0.00 174.62 174.25 2wdx s SER 253 N -1.61 -0.31 -0.28 3.99 0.15 -0.79 -0.48 113.70 114.37 2wdx s SER 253 Ca 0.14 0.50 -0.03 0.00 0.70 0.00 0.00 55.95 57.26 2wdx s SER 253 Cb -0.10 0.58 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 2wdx s SER 253 CO 0.05 -0.23 0.00 -0.89 1.20 0.00 0.00 173.24 173.37 2wdx s THR 254 N -0.32 3.20 -0.07 6.45 2.01 -1.26 0.38 115.64 126.02 2wdx s THR 254 Ca -0.04 -1.09 -0.30 0.00 0.31 0.00 0.00 61.69 60.56 2wdx s THR 254 Cb -0.03 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 2wdx s THR 254 CO 0.02 0.04 1.00 -0.69 -0.69 0.00 0.00 174.62 174.29 2wdx s VAL 255 N 1.34 4.81 0.03 3.82 1.01 -0.72 -4.43 120.40 126.27 2wdx s VAL 255 Ca -0.01 2.05 0.01 0.00 0.00 0.00 0.00 61.98 64.02 2wdx s VAL 255 Cb -0.18 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 2wdx s VAL 255 CO -0.01 0.05 0.11 -0.89 0.00 0.00 0.00 175.10 174.36 2wdx s THR 256 N 1.71 4.82 -0.00 3.92 2.01 -0.27 -0.46 115.64 127.36 2wdx s THR 256 Ca 0.49 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 62.02 2wdx s THR 256 Cb -0.19 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 2wdx s THR 256 CO 0.21 0.24 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.91 2wdx s PHE 257 N -1.32 1.04 -0.26 4.92 0.40 -0.58 -0.29 117.98 121.89 2wdx s PHE 257 Ca 0.27 -0.21 -0.08 0.00 -0.60 0.00 0.00 56.93 56.31 2wdx s PHE 257 Cb -0.12 -0.66 -0.03 0.00 0.51 0.00 0.00 43.02 42.71 2wdx s PHE 257 CO 0.19 -0.01 0.10 0.34 0.70 0.00 0.00 175.22 176.54 2wdx s ASP 258 N -0.35 5.38 0.35 1.36 3.68 -1.25 -4.51 116.67 121.34 2wdx s ASP 258 Ca 0.04 -0.16 0.11 0.00 2.13 0.00 0.00 52.55 54.67 2wdx s ASP 258 Cb -0.05 -1.98 0.89 0.00 -1.45 0.00 0.00 42.92 40.33 2wdx s ASP 258 CO -0.00 -0.04 1.81 -0.50 0.13 0.00 0.00 175.17 176.56 2wdx h TRP 259 N 8.28 0.85 -0.49 -5.34 4.06 -1.95 -1.94 115.95 119.43 2wdx h TRP 259 Ca -0.37 0.03 0.04 0.00 2.06 0.00 0.00 58.89 60.65 2wdx h TRP 259 Cb 1.18 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 29.05 2wdx h TRP 259 CO 0.70 0.20 0.32 0.00 -3.56 0.00 0.00 178.44 176.10 2wdx h ALA 260 N 1.62 1.83 -0.05 1.49 0.00 -2.02 -1.44 119.26 120.70 2wdx h ALA 260 Ca 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2wdx h ALA 260 Cb 1.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2wdx h ALA 260 CO -0.30 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.47 2wdx n GLY 261 N -1.49 0.40 3.31 0.00 0.00 -0.75 -4.78 105.19 101.89 2wdx n GLY 261 Ca 0.06 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 2wdx n GLY 261 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wdx n MET 262 N 0.59 3.54 -1.12 1.61 0.00 -0.54 -4.68 117.12 116.52 2wdx n MET 262 Ca 0.17 -4.03 -0.30 0.00 0.00 0.00 0.00 57.70 53.55 2wdx n MET 262 Cb 0.44 -2.85 0.15 0.00 0.00 0.00 0.00 33.22 30.96 2wdx n MET 262 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2wdx s THR 263 N 0.27 2.50 0.37 1.12 -4.23 -1.26 -4.69 115.64 109.72 2wdx s THR 263 Ca 0.38 0.16 0.12 0.00 -1.18 0.00 0.00 61.69 61.17 2wdx s THR 263 Cb -0.03 -2.59 0.34 0.00 1.34 0.00 0.00 72.50 71.56 2wdx s THR 263 CO -0.01 -0.21 1.86 -0.08 -0.54 0.00 0.00 174.62 175.63 2wdx h GLU 264 N -1.70 0.58 0.11 3.99 4.81 -1.99 0.66 114.58 121.05 2wdx h GLU 264 Ca -0.51 -0.03 -0.27 0.00 -0.13 0.00 0.00 59.36 58.42 2wdx h GLU 264 Cb 1.29 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2wdx h GLU 264 CO 0.54 0.38 -1.20 0.00 -0.73 0.00 0.00 179.01 178.00 2wdx h ALA 265 N 1.61 0.13 -0.11 2.92 0.00 -1.99 -2.36 119.26 119.47 2wdx h ALA 265 Ca 0.47 -0.88 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 2wdx h ALA 265 Cb 0.89 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2wdx h ALA 265 CO -0.21 0.99 -0.65 0.00 0.00 0.00 0.00 179.25 179.38 2wdx h ALA 266 N 0.63 0.68 -0.29 0.00 0.00 -1.80 -1.64 119.26 116.84 2wdx h ALA 266 Ca -0.12 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 2wdx h ALA 266 Cb 1.93 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 2wdx h ALA 266 CO 0.19 0.73 0.02 0.35 0.00 0.00 0.00 179.25 180.55 2wdx h PHE 267 N 0.30 0.54 -0.36 0.00 3.57 -0.90 -2.68 116.94 117.41 2wdx h PHE 267 Ca -0.01 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.32 2wdx h PHE 267 Cb 1.20 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 2wdx h PHE 267 CO 0.04 0.62 -0.08 0.77 -2.23 0.00 0.00 178.31 177.43 2wdx h SER 268 N 0.30 0.70 -0.21 0.41 0.02 -1.40 -2.65 113.55 110.72 2wdx h SER 268 Ca 0.08 -0.36 0.06 0.00 -0.84 0.00 0.00 61.79 60.73 2wdx h SER 268 Cb 0.39 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 2wdx h SER 268 CO 0.01 0.89 -0.28 -0.09 -1.14 0.00 0.00 176.83 176.22 2wdx h ARG 269 N 0.49 -0.30 -0.46 3.45 9.65 -1.28 -1.17 114.38 124.76 2wdx h ARG 269 Ca 0.09 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.07 2wdx h ARG 269 Cb 0.58 0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 29.17 2wdx h ARG 269 CO 0.03 -0.20 0.06 1.25 2.80 0.00 0.00 179.97 183.92 2wdx h LEU 270 N -0.31 -0.06 -0.51 3.80 5.85 -1.33 0.31 115.31 123.06 2wdx h LEU 270 Ca 0.12 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 2wdx h LEU 270 Cb 0.51 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2wdx h LEU 270 CO -0.39 0.00 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.18 2wdx h LEU 271 N 0.19 0.74 -0.13 2.25 4.07 -1.17 0.59 115.31 121.85 2wdx h LEU 271 Ca 0.23 -0.36 0.01 0.00 0.08 0.00 0.00 57.88 57.83 2wdx h LEU 271 Cb 0.31 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 2wdx h LEU 271 CO -0.32 1.09 0.06 0.03 -1.08 0.00 0.00 178.44 178.22 2wdx h ARG 272 N 0.55 0.13 0.09 1.13 3.08 -0.90 -0.22 114.38 118.23 2wdx h ARG 272 Ca 0.03 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2wdx h ARG 272 Cb 1.02 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 2wdx h ARG 272 CO 0.10 0.09 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.01 2wdx h ASN 273 N 0.13 -0.44 -0.26 7.04 -0.26 0.02 -0.94 115.58 120.87 2wdx h ASN 273 Ca 0.05 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 2wdx h ASN 273 Cb 0.01 0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 2wdx h ASN 273 CO -0.04 -0.23 0.14 -0.74 -1.06 0.00 0.00 177.43 175.50 2wdx h HIS 274 N -0.31 0.36 -0.39 1.19 2.76 -0.85 -1.11 115.15 116.81 2wdx h HIS 274 Ca 0.03 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.06 2wdx h HIS 274 Cb 0.33 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2wdx h HIS 274 CO -0.17 0.31 -0.27 0.78 -1.30 0.00 0.00 177.93 177.28 2wdx h GLY 275 N 0.31 0.94 1.67 5.26 0.00 -0.95 -0.83 103.07 109.47 2wdx h GLY 275 Ca 0.09 -0.90 -0.24 0.00 0.00 0.00 0.00 47.33 46.28 2wdx h GLY 275 CO -0.01 0.81 -1.06 0.83 0.00 0.00 0.00 176.54 177.11 2wdx h GLU 276 N 0.67 0.27 -0.67 4.80 5.08 -1.21 -1.51 114.58 122.02 2wdx h GLU 276 Ca 0.08 -0.37 0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2wdx h GLU 276 Cb 0.85 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.14 2wdx h GLU 276 CO 0.07 1.11 0.26 2.35 -1.00 0.00 0.00 179.01 181.80 2wdx h TRP 277 N 0.12 0.45 -0.14 4.33 7.01 -1.07 -2.47 115.95 124.18 2wdx h TRP 277 Ca -0.09 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.86 2wdx h TRP 277 Cb 1.74 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.69 2wdx h TRP 277 CO 0.05 0.10 -0.29 1.88 -2.79 0.00 0.00 178.44 177.39 2wdx h TYR 278 N 0.44 0.30 -0.32 2.65 0.05 -0.61 -1.12 116.97 118.35 2wdx h TYR 278 Ca 0.35 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 59.02 2wdx h TYR 278 Cb 0.46 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 2wdx h TYR 278 CO -0.17 0.54 0.00 0.93 -1.05 0.00 0.00 178.16 178.42 2wdx h GLU 279 N 0.24 0.49 0.00 4.88 5.08 -0.96 -2.97 114.58 121.35 2wdx h GLU 279 Ca 0.03 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2wdx h GLU 279 Cb 0.64 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2wdx h GLU 279 CO 0.05 0.52 -1.43 0.54 -1.00 0.00 0.00 179.01 177.68 2wdx n ARG 280 N -4.29 0.63 -2.23 2.33 1.74 -0.96 -4.60 116.66 109.28 2wdx n ARG 280 Ca 0.01 -0.02 -0.18 0.00 -0.77 0.00 0.00 57.85 56.89 2wdx n ARG 280 Cb 0.23 -1.69 0.03 0.00 -1.02 0.00 0.00 32.46 30.01 2wdx n ARG 280 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wdx n ASN 281 N -2.49 4.11 -0.04 0.55 3.02 -0.45 -4.69 115.26 115.26 2wdx n ASN 281 Ca -0.02 -3.33 0.01 0.00 -0.03 0.00 0.00 54.58 51.21 2wdx n ASN 281 Cb 0.56 -0.38 0.01 0.00 -0.61 0.00 0.00 39.78 39.36 2wdx n ASN 281 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wdx n SER 282 N -0.68 1.07 -4.80 6.41 7.64 -1.22 -4.74 113.62 117.30 2wdx n SER 282 Ca 0.35 -1.68 -0.33 0.00 1.01 0.00 0.00 58.87 58.21 2wdx n SER 282 Cb 0.92 -0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 64.06 2wdx n SER 282 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2wdx s GLY 283 N -0.74 2.35 0.53 0.23 0.00 -1.26 -0.90 107.32 107.52 2wdx s GLY 283 Ca 0.03 0.51 0.24 0.00 0.00 0.00 0.00 44.72 45.50 2wdx s GLY 283 CO 0.00 0.83 2.01 -0.56 0.00 0.00 0.00 173.10 175.39 2wdx h PRO 284 N 1.11 0.01 -0.01 2.90 0.13 -1.95 -2.28 132.00 131.90 2wdx h PRO 284 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2wdx h PRO 284 Cb 1.22 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wdx h PRO 284 CO 0.58 0.00 -0.35 -0.25 -0.23 0.00 0.00 178.00 177.76 2wdx n ASP 285 N -4.40 1.42 -4.73 1.44 8.00 -1.26 -4.69 116.55 112.33 2wdx n ASP 285 Ca 0.08 -1.14 -0.42 0.00 0.71 0.00 0.00 54.79 54.02 2wdx n ASP 285 Cb 0.54 0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 41.91 2wdx n ASP 285 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2wdx n SER 286 N -0.42 3.56 0.30 -2.24 2.88 -0.86 -4.87 113.62 111.98 2wdx n SER 286 Ca 0.11 1.16 0.18 0.00 -1.33 0.00 0.00 58.87 58.99 2wdx n SER 286 Cb 0.39 -1.56 1.00 0.00 -0.75 0.00 0.00 64.21 63.30 2wdx n SER 286 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2wdx h PRO 287 N 4.25 0.00 -0.65 -1.46 0.11 -1.93 -2.03 132.00 130.30 2wdx h PRO 287 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wdx h PRO 287 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2wdx h PRO 287 CO 0.75 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.20 2wdx n TYR 288 N -3.53 0.45 0.28 0.65 4.01 -1.26 -3.72 117.16 114.03 2wdx n TYR 288 Ca -0.02 -0.17 0.16 0.00 -0.16 0.00 0.00 57.90 57.71 2wdx n TYR 288 Cb 0.14 -0.14 0.80 0.00 -0.31 0.00 0.00 39.34 39.83 2wdx n TYR 288 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2wdx h THR 289 N 1.08 0.31 -0.15 -0.72 1.35 -1.65 -2.28 112.91 110.85 2wdx h THR 289 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2wdx h THR 289 Cb 0.67 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 2wdx h THR 289 CO 0.08 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 2wdx n GLY 290 N -0.54 -0.26 3.53 5.82 0.00 -1.24 -2.37 105.19 110.12 2wdx n GLY 290 Ca -0.01 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2wdx n GLY 290 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdx s LEU 291 N -1.13 2.93 0.03 0.99 0.20 -0.86 -1.10 118.68 119.74 2wdx s LEU 291 Ca 0.15 -0.12 -0.01 0.00 0.69 0.00 0.00 54.13 54.84 2wdx s LEU 291 Cb 0.08 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 44.20 2wdx s LEU 291 CO 0.11 0.35 -0.01 0.86 -0.29 0.00 0.00 176.35 177.37 2wdx s TRP 292 N -0.78 0.29 0.18 5.38 -0.00 -0.41 -4.91 118.94 118.69 2wdx s TRP 292 Ca 0.12 -0.61 -0.21 0.00 -0.00 0.00 0.00 56.10 55.41 2wdx s TRP 292 Cb -0.11 -0.22 0.05 0.00 -0.00 0.00 0.00 33.47 33.20 2wdx s TRP 292 CO 0.01 -0.25 0.57 -1.54 -0.00 0.00 0.00 176.95 175.75 2wdx s SER 293 N -1.79 -0.42 -0.06 5.86 1.04 -1.26 -1.43 113.70 115.63 2wdx s SER 293 Ca -0.11 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.14 2wdx s SER 293 Cb -0.06 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.67 2wdx s SER 293 CO -0.03 -1.01 -0.12 0.00 0.98 0.00 0.00 173.24 173.05 2wdx s GLN 294 N -3.80 1.66 -0.47 4.02 -2.07 -1.06 -0.89 119.66 117.06 2wdx s GLN 294 Ca 0.04 -0.42 -0.23 0.00 -1.82 0.00 0.00 55.36 52.93 2wdx s GLN 294 Cb -0.01 -1.39 0.03 0.00 -1.09 0.00 0.00 33.01 30.55 2wdx s GLN 294 CO -0.09 0.05 0.78 -1.17 -1.32 0.00 0.00 175.29 173.55 2wdx s LEU 295 N 0.58 4.31 -0.41 2.60 0.20 -0.47 -3.25 118.68 122.23 2wdx s LEU 295 Ca -0.13 -0.23 -0.11 0.00 0.69 0.00 0.00 54.13 54.35 2wdx s LEU 295 Cb -0.15 -2.88 0.06 0.00 -0.43 0.00 0.00 46.19 42.79 2wdx s LEU 295 CO 0.03 -0.95 0.26 -0.04 -0.29 0.00 0.00 176.35 175.37 2wdx s MET 296 N 3.29 2.76 -0.87 1.98 -1.94 0.15 -1.44 119.30 123.23 2wdx s MET 296 Ca 0.28 -1.28 -0.10 0.00 -1.71 0.00 0.00 55.69 52.88 2wdx s MET 296 Cb -0.13 -3.82 0.23 0.00 2.01 0.00 0.00 34.83 33.12 2wdx s MET 296 CO 0.21 -0.86 0.80 0.42 -0.01 0.00 0.00 175.02 175.58 2wdx s ILE 297 N 1.52 5.32 0.30 2.53 1.01 0.73 -1.11 121.20 131.50 2wdx s ILE 297 Ca 0.03 -2.90 0.04 0.00 0.00 0.00 0.00 60.65 57.82 2wdx s ILE 297 Cb -0.22 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 37.91 2wdx s ILE 297 CO 0.05 -1.05 0.03 -0.83 0.00 0.00 0.00 174.94 173.13 2wdx s GLY 298 N 1.53 1.95 0.56 6.18 0.00 -0.43 -0.87 107.32 116.25 2wdx s GLY 298 Ca 0.22 -1.99 -0.17 0.00 0.00 0.00 0.00 44.72 42.78 2wdx s GLY 298 CO -0.08 -1.80 1.04 0.54 0.00 0.00 0.00 173.10 172.79 2wdx s ASN 299 N -3.45 6.06 -0.57 1.64 4.22 -0.80 -3.47 114.94 118.57 2wdx s ASN 299 Ca 0.34 1.77 -0.27 0.00 -2.14 0.00 0.00 52.86 52.57 2wdx s ASN 299 Cb 0.07 -2.53 0.03 0.00 1.28 0.00 0.00 41.25 40.11 2wdx s ASN 299 CO 0.14 -0.98 1.10 -1.61 -2.04 0.00 0.00 177.10 173.71 2wdx s GLU 300 N -3.96 3.44 -0.27 3.55 2.02 -1.26 -1.34 118.70 120.87 2wdx s GLU 300 Ca 0.63 0.04 -0.11 0.00 0.02 0.00 0.00 54.97 55.54 2wdx s GLU 300 Cb -0.15 -4.03 -0.05 0.00 0.10 0.00 0.00 34.13 30.00 2wdx s GLU 300 CO 0.33 -1.62 0.21 0.08 0.02 0.00 0.00 175.26 174.28 2wdx s VAL 301 N 4.58 5.31 0.23 2.63 1.01 -1.26 -4.93 120.40 127.97 2wdx s VAL 301 Ca 0.38 0.23 0.17 0.00 0.00 0.00 0.00 61.98 62.76 2wdx s VAL 301 Cb -0.09 -3.54 0.11 0.00 0.00 0.00 0.00 36.38 32.86 2wdx s VAL 301 CO 0.23 0.26 1.75 1.55 0.00 0.00 0.00 175.10 178.90 2wdx h PRO 302 N 8.11 0.00 -0.87 2.72 0.13 -1.98 -2.32 132.00 137.79 2wdx h PRO 302 Ca -0.35 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.66 2wdx h PRO 302 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 2wdx h PRO 302 CO 0.59 0.39 0.15 0.41 -0.23 0.00 0.00 178.00 179.32 2wdx n GLY 303 N 0.06 2.77 3.24 1.56 0.00 -1.26 -4.84 105.19 106.72 2wdx n GLY 303 Ca -0.01 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 2wdx n GLY 303 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wdx s MET 304 N -1.91 0.40 0.37 1.61 0.00 -0.87 -5.14 119.30 113.76 2wdx s MET 304 Ca 0.31 0.99 -0.01 0.00 0.00 0.00 0.00 55.69 56.98 2wdx s MET 304 Cb 0.24 0.27 -0.04 0.00 0.00 0.00 0.00 34.83 35.31 2wdx s MET 304 CO 0.08 -0.38 0.59 0.20 0.00 0.00 0.00 175.02 175.52 2wdx s GLY 305 N 2.68 1.42 0.00 2.11 0.00 -1.26 -3.21 107.32 109.06 2wdx s GLY 305 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2wdx s GLY 305 CO -0.16 -0.71 0.00 -2.21 0.00 0.00 0.00 173.10 170.03 2wdx n GLU 306 N -1.79 -1.19 -1.97 2.90 4.07 -1.26 -4.99 120.64 116.42 2wdx n GLU 306 Ca -0.03 0.29 -0.29 0.00 -0.06 0.00 0.00 57.16 57.07 2wdx n GLU 306 Cb 0.56 -4.77 0.16 0.00 -0.06 0.00 0.00 31.44 27.33 2wdx n GLU 306 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2wdx s SER 307 N -1.98 3.51 0.00 4.31 1.04 -1.20 -5.04 113.70 114.34 2wdx s SER 307 Ca 0.00 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2wdx s SER 307 Cb 0.00 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.61 2wdx s SER 307 CO 0.00 -2.49 0.00 0.61 0.98 0.00 0.00 173.24 172.34 2wdx n GLY 308 N -3.60 -1.78 3.20 7.32 0.00 -0.45 -4.84 105.19 105.04 2wdx n GLY 308 Ca 0.14 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 2wdx n GLY 308 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wdx s PHE 309 N 0.00 3.44 0.19 1.61 5.99 -1.23 -1.31 117.98 126.68 2wdx s PHE 309 Ca 0.00 -1.93 -0.16 0.00 0.00 0.00 0.00 56.93 54.83 2wdx s PHE 309 Cb 0.00 -3.24 0.02 0.00 0.00 0.00 0.00 43.02 39.80 2wdx s PHE 309 CO 0.00 -0.95 0.49 0.00 -0.00 0.00 0.00 175.22 174.77 2wdx s MET 310 N 1.31 1.35 -0.39 10.12 0.23 -0.27 -1.53 119.30 130.13 2wdx s MET 310 Ca 0.05 -0.90 0.03 0.00 -1.03 0.00 0.00 55.69 53.84 2wdx s MET 310 Cb -0.24 0.50 0.16 0.00 -1.53 0.00 0.00 34.83 33.72 2wdx s MET 310 CO -0.01 -0.56 0.34 1.41 -2.03 0.00 0.00 175.02 174.17 2wdx s MET 311 N -3.88 0.75 0.30 3.16 1.75 0.40 0.33 119.30 122.11 2wdx s MET 311 Ca 0.10 -1.53 -0.29 0.00 -1.25 0.00 0.00 55.69 52.72 2wdx s MET 311 Cb -0.00 -1.12 -0.10 0.00 2.84 0.00 0.00 34.83 36.45 2wdx s MET 311 CO -0.03 -1.29 1.25 -2.14 -0.65 0.00 0.00 175.02 172.16 2wdx s PRO 312 N 0.72 4.44 0.04 4.11 0.02 -1.20 -1.75 135.00 141.37 2wdx s PRO 312 Ca 0.25 2.08 0.05 0.00 0.02 0.00 0.00 61.00 63.40 2wdx s PRO 312 Cb -0.09 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 2wdx s PRO 312 CO -0.09 -0.09 -0.14 0.42 -0.33 0.00 0.00 177.00 176.78 2wdx s ILE 313 N -0.95 1.07 -0.00 2.83 1.01 0.16 -2.58 121.20 122.75 2wdx s ILE 313 Ca 0.49 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 2wdx s ILE 313 Cb -0.37 -0.97 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 2wdx s ILE 313 CO 0.47 0.00 0.02 0.00 0.00 0.00 0.00 174.94 175.44 2wdx s GLN 314 N -1.10 0.12 0.04 2.79 -2.07 -0.52 -1.89 119.66 117.03 2wdx s GLN 314 Ca 0.01 -0.14 0.07 0.00 -1.82 0.00 0.00 55.36 53.48 2wdx s GLN 314 Cb -0.08 0.05 -0.02 0.00 -1.09 0.00 0.00 33.01 31.87 2wdx s GLN 314 CO 0.01 -0.02 -0.19 0.54 -1.32 0.00 0.00 175.29 174.32 2wdx s VAL 315 N -0.41 1.49 -0.21 3.63 0.11 -0.00 -1.29 120.40 123.72 2wdx s VAL 315 Ca -0.05 -1.15 -0.28 0.00 -2.93 0.00 0.00 61.98 57.57 2wdx s VAL 315 Cb -0.03 -1.31 -0.05 0.00 -1.53 0.00 0.00 36.38 33.46 2wdx s VAL 315 CO -0.00 0.13 2.07 -0.62 -3.33 0.00 0.00 175.10 173.35 2wdx s ASP 316 N -1.19 5.70 0.00 3.54 3.68 -0.26 -1.42 116.67 126.72 2wdx s ASP 316 Ca 0.06 1.84 0.00 0.00 2.13 0.00 0.00 52.55 56.58 2wdx s ASP 316 Cb -0.09 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.87 2wdx s ASP 316 CO 0.02 -1.77 0.82 0.00 0.13 0.00 0.00 175.17 174.37 2wdx n ALA 317 N 10.77 2.35 0.15 3.66 0.00 -0.67 -4.22 120.51 132.54 2wdx n ALA 317 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 2wdx n ALA 317 Cb 0.45 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 2wdx n ALA 317 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wdx h THR 318 N 0.00 0.79 -3.68 0.00 2.02 -1.90 -3.42 112.91 106.72 2wdx h THR 318 Ca 0.00 -0.41 -0.50 0.00 0.77 0.00 0.00 66.41 66.27 2wdx h THR 318 Cb 0.03 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2wdx h THR 318 CO 0.00 0.09 0.28 -0.13 0.37 0.00 0.00 175.52 176.13 2wdx s ARG 319 N -5.24 4.70 0.34 6.66 0.52 -1.26 -4.96 118.95 119.72 2wdx s ARG 319 Ca -0.15 1.33 0.25 0.00 -0.52 0.00 0.00 55.73 56.65 2wdx s ARG 319 Cb 0.03 -3.21 1.22 0.00 0.52 0.00 0.00 34.95 33.51 2wdx s ARG 319 CO 0.60 0.51 1.77 -1.00 0.02 0.00 0.00 175.30 177.20 2wdx h PRO 320 N 4.08 0.00 -0.04 3.54 0.13 -1.95 -2.13 132.00 135.63 2wdx h PRO 320 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2wdx h PRO 320 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wdx h PRO 320 CO 0.67 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.04 2wdx n ASP 321 N -2.38 0.27 0.01 1.44 3.85 -1.26 -4.31 116.55 114.17 2wdx n ASP 321 Ca -0.00 -1.67 0.02 0.00 -0.71 0.00 0.00 54.79 52.43 2wdx n ASP 321 Cb 0.14 -0.02 0.36 0.00 -1.35 0.00 0.00 41.12 40.24 2wdx n ASP 321 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wdx h ALA 322 N 3.44 1.52 -0.31 2.12 0.00 -1.69 -2.16 119.26 122.18 2wdx h ALA 322 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2wdx h ALA 322 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2wdx h ALA 322 CO 0.00 0.36 -0.36 -0.09 0.00 0.00 0.00 179.25 179.16 2wdx h ARG 323 N 0.51 0.71 -0.47 0.00 2.43 -1.86 -2.37 114.38 113.33 2wdx h ARG 323 Ca 0.12 -0.35 -0.06 0.00 -0.81 0.00 0.00 59.98 58.88 2wdx h ARG 323 Cb 0.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2wdx h ARG 323 CO -0.01 0.96 0.07 0.00 -1.51 0.00 0.00 179.97 179.49 2wdx h ARG 324 N 0.59 0.79 -0.99 0.20 3.08 -1.77 0.19 114.38 116.47 2wdx h ARG 324 Ca 0.06 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 59.91 2wdx h ARG 324 Cb 0.89 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.80 2wdx h ARG 324 CO 0.08 0.80 0.65 -0.07 -1.07 0.00 0.00 179.97 180.36 2wdx h LEU 325 N 0.66 1.13 0.44 3.04 3.38 -1.39 0.12 115.31 122.68 2wdx h LEU 325 Ca 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2wdx h LEU 325 Cb 0.40 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wdx h LEU 325 CO 0.01 0.81 -0.21 0.25 0.09 0.00 0.00 178.44 179.39 2wdx h LEU 326 N 1.33 -0.50 -0.48 1.67 6.46 -1.00 -0.88 115.31 121.91 2wdx h LEU 326 Ca 0.37 -0.08 0.09 0.00 -0.12 0.00 0.00 57.88 58.13 2wdx h LEU 326 Cb -0.14 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 39.85 2wdx h LEU 326 CO -0.08 -0.19 0.04 0.44 -0.62 0.00 0.00 178.44 178.02 2wdx h ASP 327 N -0.82 -0.12 -0.65 1.25 3.32 -0.79 -0.44 116.42 118.16 2wdx h ASP 327 Ca -0.06 0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2wdx h ASP 327 Cb 0.55 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 2wdx h ASP 327 CO 0.10 -0.03 0.10 0.00 -1.72 0.00 0.00 179.24 177.69 2wdx h ALA 328 N 1.41 0.92 0.30 3.45 0.00 -0.73 0.34 119.26 124.95 2wdx h ALA 328 Ca 0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wdx h ALA 328 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2wdx h ALA 328 CO -0.37 0.67 -0.26 1.25 0.00 0.00 0.00 179.25 180.54 2wdx h HIS 329 N 1.02 -0.68 -0.45 0.00 -0.00 -0.51 -1.58 115.15 112.96 2wdx h HIS 329 Ca 0.20 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.59 2wdx h HIS 329 Cb 0.45 0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 28.09 2wdx h HIS 329 CO 0.03 -0.38 0.26 0.82 -0.00 0.00 0.00 177.93 178.66 2wdx h ILE 330 N -0.57 1.03 -0.12 6.26 2.04 -0.83 -1.59 117.51 123.73 2wdx h ILE 330 Ca -0.02 -0.18 -0.20 0.00 1.00 0.00 0.00 64.86 65.46 2wdx h ILE 330 Cb 0.51 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2wdx h ILE 330 CO -0.03 0.09 -0.76 1.05 0.00 0.00 0.00 178.15 178.51 2wdx h GLU 331 N 0.52 0.61 -0.78 2.37 4.11 -0.88 -0.18 114.58 120.35 2wdx h GLU 331 Ca 0.18 -0.50 0.07 0.00 0.07 0.00 0.00 59.36 59.18 2wdx h GLU 331 Cb 0.03 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 2wdx h GLU 331 CO -0.09 1.12 0.46 0.00 0.07 0.00 0.00 179.01 180.57 2wdx h ALA 332 N 0.74 1.07 -0.27 1.06 0.00 -1.16 -2.14 119.26 118.55 2wdx h ALA 332 Ca -0.04 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2wdx h ALA 332 Cb 1.36 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wdx h ALA 332 CO 0.14 0.14 -0.40 0.28 0.00 0.00 0.00 179.25 179.42 2wdx h VAL 333 N 0.81 1.30 -0.55 0.00 2.07 -0.36 -3.25 116.25 116.27 2wdx h VAL 333 Ca 0.35 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2wdx h VAL 333 Cb 0.23 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2wdx h VAL 333 CO -0.20 0.51 0.00 2.30 0.02 0.00 0.00 177.57 180.20 2wdx n ILE 334 N -4.17 0.73 -1.66 4.57 -5.35 -0.17 -4.51 119.36 108.81 2wdx n ILE 334 Ca -0.04 -0.74 -0.49 0.00 -0.27 0.00 0.00 62.75 61.21 2wdx n ILE 334 Cb 0.54 0.38 -0.05 0.00 -1.74 0.00 0.00 39.64 38.77 2wdx n ILE 334 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2wdx n ASP 335 N 1.12 3.24 -0.68 7.28 2.03 -0.81 -1.79 116.55 126.93 2wdx n ASP 335 Ca 0.18 0.87 -0.09 0.00 0.52 0.00 0.00 54.79 56.28 2wdx n ASP 335 Cb 0.47 -1.36 -0.04 0.00 -0.72 0.00 0.00 41.12 39.47 2wdx n ASP 335 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wdx n GLY 336 N 4.70 1.05 3.06 0.27 0.00 -1.26 -4.83 105.19 108.19 2wdx n GLY 336 Ca 0.25 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2wdx n GLY 336 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdx s VAL 337 N -2.27 3.28 0.25 1.61 1.01 -0.74 -4.90 120.40 118.64 2wdx s VAL 337 Ca 0.00 -2.89 -0.05 0.00 0.00 0.00 0.00 61.98 59.04 2wdx s VAL 337 Cb 0.00 -3.20 0.21 0.00 0.00 0.00 0.00 36.38 33.39 2wdx s VAL 337 CO 0.00 -0.81 1.87 -0.65 0.00 0.00 0.00 175.10 175.51 2wdx h PRO 338 N 7.07 1.15 0.00 2.72 0.11 -1.93 -3.16 132.00 137.96 2wdx h PRO 338 Ca -0.05 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2wdx h PRO 338 Cb 0.95 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2wdx h PRO 338 CO 0.69 0.85 0.00 -2.30 -0.21 0.00 0.00 178.00 177.03 2wdx n PRO 339 N -4.33 0.07 -2.09 1.05 -0.02 -1.26 -4.79 135.00 123.62 2wdx n PRO 339 Ca 0.08 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.42 2wdx n PRO 339 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 2wdx n PRO 339 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdx s ALA 340 N -2.76 3.65 -0.16 3.55 0.00 -1.20 -3.91 121.76 120.93 2wdx s ALA 340 Ca 0.06 1.19 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 2wdx s ALA 340 Cb 0.06 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2wdx s ALA 340 CO 0.14 -0.70 -0.06 -2.00 0.00 0.00 0.00 175.76 173.14 2wdx s GLU 341 N 1.26 3.55 -0.31 0.00 2.56 0.60 -4.99 118.70 121.37 2wdx s GLU 341 Ca 0.67 -0.58 -0.00 0.00 0.00 0.00 0.00 54.97 55.05 2wdx s GLU 341 Cb -0.39 -2.87 0.06 0.00 2.00 0.00 0.00 34.13 32.94 2wdx s GLU 341 CO 0.30 0.15 0.00 0.08 -0.56 0.00 0.00 175.26 175.24 2wdx s VAL 342 N 0.58 2.78 0.97 3.70 1.01 -1.26 -1.12 120.40 127.06 2wdx s VAL 342 Ca -0.04 -1.60 -0.16 0.00 0.00 0.00 0.00 61.98 60.19 2wdx s VAL 342 Cb -0.15 -2.68 0.19 0.00 0.00 0.00 0.00 36.38 33.74 2wdx s VAL 342 CO 0.03 -0.20 1.25 -2.16 0.00 0.00 0.00 175.10 174.02 2wdx s PRO 343 N 1.18 0.58 0.18 2.72 0.04 -1.26 -5.01 135.00 133.43 2wdx s PRO 343 Ca -0.03 -0.22 -0.30 0.00 0.04 0.00 0.00 61.00 60.49 2wdx s PRO 343 Cb -0.20 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 2wdx s PRO 343 CO -0.03 -2.48 1.17 -1.21 0.04 0.00 0.00 177.00 174.49 2wdx s GLU 344 N -5.72 4.52 0.33 4.56 0.41 -1.26 -4.99 118.70 116.55 2wdx s GLU 344 Ca 0.71 1.83 -0.29 0.00 -0.41 0.00 0.00 54.97 56.81 2wdx s GLU 344 Cb -0.07 -3.25 -0.12 0.00 -1.78 0.00 0.00 34.13 28.92 2wdx s GLU 344 CO 0.53 -0.05 1.48 -2.30 -0.49 0.00 0.00 175.26 174.44 2wdx n PRO 345 N 2.47 2.52 -4.87 0.39 -0.02 -1.26 -4.91 135.00 129.33 2wdx n PRO 345 Ca 0.04 0.89 -0.33 0.00 -2.02 0.00 0.00 63.50 62.08 2wdx n PRO 345 Cb 0.45 -2.60 -0.14 0.00 -0.02 0.00 0.00 33.50 31.19 2wdx n PRO 345 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wdx s ILE 346 N -0.63 3.02 -0.15 4.25 1.01 0.37 -4.92 121.20 124.15 2wdx s ILE 346 Ca 0.59 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 60.36 2wdx s ILE 346 Cb -0.52 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 2wdx s ILE 346 CO 0.57 0.57 0.40 -0.70 0.00 0.00 0.00 174.94 175.78 2wdx s GLU 347 N -0.33 4.29 0.04 2.79 2.12 -1.26 0.37 118.70 126.72 2wdx s GLU 347 Ca 0.03 0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.67 2wdx s GLU 347 Cb -0.13 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 2wdx s GLU 347 CO 0.02 0.15 -0.09 1.14 -0.54 0.00 0.00 175.26 175.95 2wdx s GLN 348 N 0.68 0.58 0.19 4.30 -2.07 0.14 -4.93 119.66 118.55 2wdx s GLN 348 Ca 0.22 -0.73 -0.27 0.00 -1.82 0.00 0.00 55.36 52.75 2wdx s GLN 348 Cb -0.14 -0.41 -0.08 0.00 -1.09 0.00 0.00 33.01 31.29 2wdx s GLN 348 CO 0.08 0.08 0.85 1.03 -1.32 0.00 0.00 175.29 176.01 2wdx s ARG 349 N -1.44 4.69 -0.27 9.60 0.52 -1.26 -0.08 118.95 130.71 2wdx s ARG 349 Ca -0.07 1.30 -0.43 0.00 -0.52 0.00 0.00 55.73 56.01 2wdx s ARG 349 Cb -0.09 -3.27 -0.19 0.00 0.52 0.00 0.00 34.95 31.92 2wdx s ARG 349 CO 0.01 0.54 1.48 1.87 0.02 0.00 0.00 175.30 179.21 2wdx n TRP 350 N 1.60 1.53 -2.09 -0.53 -0.00 0.13 -1.34 117.44 116.74 2wdx n TRP 350 Ca -0.04 0.93 -0.21 0.00 -0.00 0.00 0.00 57.50 58.18 2wdx n TRP 350 Cb 0.48 -2.26 -0.04 0.00 -0.00 0.00 0.00 31.31 29.49 2wdx n TRP 350 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2wdx n LEU 351 N 3.55 -1.79 0.16 5.87 4.77 -1.26 -4.90 117.00 123.40 2wdx n LEU 351 Ca 0.26 0.19 0.02 0.00 -0.03 0.00 0.00 56.01 56.46 2wdx n LEU 351 Cb 0.04 -2.93 0.37 0.00 -2.33 0.00 0.00 43.42 38.58 2wdx n LEU 351 CO 0.78 -0.57 0.79 0.00 -1.33 0.00 0.00 177.39 177.06 2wdx h ALA 352 N 0.60 1.44 -2.54 -1.18 0.00 -1.60 -3.38 119.26 112.60 2wdx h ALA 352 Ca -0.47 -0.28 -0.49 0.00 0.00 0.00 0.00 54.91 53.66 2wdx h ALA 352 Cb 1.37 -0.06 -0.38 0.00 0.00 0.00 0.00 17.79 18.72 2wdx h ALA 352 CO 0.61 0.41 -0.77 0.45 0.00 0.00 0.00 179.25 179.95 2wdx s SER 353 N -6.93 2.83 -0.52 0.00 0.15 -1.26 -5.07 113.70 102.90 2wdx s SER 353 Ca -0.04 -1.47 -0.08 0.00 0.70 0.00 0.00 55.95 55.06 2wdx s SER 353 Cb 0.15 -0.12 0.13 0.00 -1.71 0.00 0.00 66.02 64.47 2wdx s SER 353 CO 0.73 -0.38 0.39 -0.89 1.20 0.00 0.00 173.24 174.29 2wdx s THR 354 N 1.80 4.23 0.00 6.45 2.01 -1.26 -4.91 115.64 123.96 2wdx s THR 354 Ca 0.12 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 60.11 2wdx s THR 354 Cb -0.17 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2wdx s THR 354 CO -0.23 -0.81 0.00 -0.81 -0.69 0.00 0.00 174.62 172.09 2wdx n PRO 355 N 4.63 0.00 -0.33 4.92 -0.05 -1.26 -5.15 135.00 137.76 2wdx n PRO 355 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.42 2wdx n PRO 355 Cb 0.41 -0.12 0.00 0.00 -0.05 0.00 0.00 33.50 33.74 2wdx n PRO 355 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2wdx n GLY 356 N 2.32 -1.12 3.64 0.55 0.00 -1.26 -4.78 105.19 104.53 2wdx n GLY 356 Ca 0.00 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 2wdx n GLY 356 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdx s ARG 357 N -2.55 3.94 1.92 1.61 3.00 -1.26 -4.91 118.95 120.70 2wdx s ARG 357 Ca 0.00 1.92 0.00 0.00 -1.00 0.00 0.00 55.73 56.65 2wdx s ARG 357 Cb 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 34.95 30.92 2wdx s ARG 357 CO 0.00 -1.13 0.00 0.41 0.00 0.00 0.00 175.30 174.58 2wdx n GLY 358 N 4.47 0.89 0.00 8.12 0.00 -1.26 -4.93 105.19 112.48 2wdx n GLY 358 Ca 0.19 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2wdx n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 359 N 0.00 -0.01 3.50 -0.02 0.00 -1.26 -4.98 105.19 102.42 2wdx n GLY 359 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2wdx n GLY 359 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdx s ARG 360 N 0.00 3.81 0.00 1.61 1.81 -1.26 -4.62 118.95 120.30 2wdx s ARG 360 Ca 0.00 -1.93 0.00 0.00 -1.72 0.00 0.00 55.73 52.08 2wdx s ARG 360 Cb 0.00 -5.16 0.00 0.00 -0.45 0.00 0.00 34.95 29.34 2wdx s ARG 360 CO 0.00 -1.94 0.00 0.41 -0.68 0.00 0.00 175.30 173.09 2wdx n GLY 361 N 5.33 0.78 0.00 -3.53 0.00 -1.25 -5.04 105.19 101.48 2wdx n GLY 361 Ca 0.34 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2wdx n GLY 361 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdx n PRO 362 N -0.83 0.00 -3.08 1.61 -0.02 -1.26 -4.27 135.00 127.14 2wdx n PRO 362 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 2wdx n PRO 362 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 2wdx n PRO 362 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdx s ALA 363 N 0.00 3.42 0.14 3.55 0.00 -1.24 -3.79 121.76 123.84 2wdx s ALA 363 Ca 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 51.96 52.06 2wdx s ALA 363 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2wdx s ALA 363 CO 0.00 0.10 0.18 -1.54 0.00 0.00 0.00 175.76 174.50 2wdx s SER 364 N -0.09 0.17 -0.07 0.00 1.04 -1.26 -1.85 113.70 111.63 2wdx s SER 364 Ca 0.35 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.84 2wdx s SER 364 Cb -0.19 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.31 2wdx s SER 364 CO 0.20 -0.80 -0.11 -0.75 0.98 0.00 0.00 173.24 172.77 2wdx s LYS 365 N -3.98 1.59 -0.02 4.02 2.47 -0.63 -4.92 119.74 118.27 2wdx s LYS 365 Ca 0.17 -0.35 0.06 0.00 -1.56 0.00 0.00 55.97 54.29 2wdx s LYS 365 Cb 0.05 -1.40 -0.01 0.00 -1.46 0.00 0.00 37.83 35.01 2wdx s LYS 365 CO -0.01 -0.05 -0.20 -0.08 0.16 0.00 0.00 175.35 175.16 2wdx s THR 366 N 0.92 1.61 0.23 3.43 -1.32 -1.26 -1.73 115.64 117.52 2wdx s THR 366 Ca -0.10 -0.86 0.07 0.00 -1.21 0.00 0.00 61.69 59.59 2wdx s THR 366 Cb -0.15 -1.34 -0.05 0.00 -1.51 0.00 0.00 72.50 69.45 2wdx s THR 366 CO 0.01 0.45 -0.11 -0.54 -2.21 0.00 0.00 174.62 172.22 2wdx s LYS 367 N -0.42 1.41 0.05 7.08 1.02 -0.34 -4.75 119.74 123.80 2wdx s LYS 367 Ca 0.06 -1.66 -0.16 0.00 0.02 0.00 0.00 55.97 54.24 2wdx s LYS 367 Cb -0.08 -1.13 0.03 0.00 -0.52 0.00 0.00 37.83 36.13 2wdx s LYS 367 CO -0.00 0.13 0.35 0.00 -0.92 0.00 0.00 175.35 174.91 2wdx s ALA 368 N -2.99 -0.82 -0.00 5.17 0.00 -1.26 -1.32 121.76 120.53 2wdx s ALA 368 Ca 0.25 0.11 -0.22 0.00 0.00 0.00 0.00 51.96 52.10 2wdx s ALA 368 Cb 0.01 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.54 2wdx s ALA 368 CO 0.09 -0.45 0.48 0.20 0.00 0.00 0.00 175.76 176.08 2wdx s GLY 369 N -2.12 -0.36 0.08 0.00 0.00 -0.52 -4.69 107.32 99.71 2wdx s GLY 369 Ca -0.04 0.69 -0.11 0.00 0.00 0.00 0.00 44.72 45.25 2wdx s GLY 369 CO -0.04 0.41 0.42 -0.19 0.00 0.00 0.00 173.10 173.70 2wdx s TYR 370 N -1.70 3.61 -0.11 1.90 2.02 0.48 -1.49 117.35 122.05 2wdx s TYR 370 Ca -0.10 0.86 0.02 0.00 -0.37 0.00 0.00 57.07 57.49 2wdx s TYR 370 Cb -0.02 -2.21 -0.00 0.00 -0.40 0.00 0.00 41.96 39.33 2wdx s TYR 370 CO 0.04 0.53 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.83 2wdx s LEU 371 N -1.78 2.31 0.10 -1.29 1.43 -0.60 -2.19 118.68 116.65 2wdx s LEU 371 Ca 0.32 -0.48 0.20 0.00 -1.03 0.00 0.00 54.13 53.14 2wdx s LEU 371 Cb -0.14 -1.49 -0.11 0.00 0.03 0.00 0.00 46.19 44.48 2wdx s LEU 371 CO 0.17 0.15 0.83 0.54 0.23 0.00 0.00 176.35 178.28 2wdx n ARG 372 N 3.58 0.62 -4.16 1.70 1.74 0.18 -0.44 116.66 119.88 2wdx n ARG 372 Ca -0.19 0.11 -0.14 0.00 -0.77 0.00 0.00 57.85 56.86 2wdx n ARG 372 Cb 0.53 -1.76 -0.07 0.00 -1.02 0.00 0.00 32.46 30.13 2wdx n ARG 372 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wdx s LYS 373 N -3.18 1.55 0.75 5.56 1.02 -1.13 -4.57 119.74 119.74 2wdx s LYS 373 Ca -0.03 -1.69 -0.12 0.00 0.02 0.00 0.00 55.97 54.15 2wdx s LYS 373 Cb 0.10 0.35 0.05 0.00 -0.52 0.00 0.00 37.83 37.81 2wdx s LYS 373 CO 0.82 -0.58 1.11 -0.98 -0.92 0.00 0.00 175.35 174.79 2wdx s ARG 374 N -3.72 2.28 0.44 1.68 1.70 -1.26 -4.88 118.95 115.20 2wdx s ARG 374 Ca 0.35 1.29 -0.23 0.00 -0.47 0.00 0.00 55.73 56.66 2wdx s ARG 374 Cb 0.03 -1.89 -0.10 0.00 -0.57 0.00 0.00 34.95 32.41 2wdx s ARG 374 CO 0.17 -1.64 0.94 1.28 -1.08 0.00 0.00 175.30 174.98 2wdx n LEU 375 N -3.26 2.32 -4.76 -1.89 4.77 -1.26 -4.96 117.00 107.96 2wdx n LEU 375 Ca 0.10 1.00 -0.29 0.00 -0.03 0.00 0.00 56.01 56.79 2wdx n LEU 375 Cb 0.53 -1.32 0.15 0.00 -2.33 0.00 0.00 43.42 40.44 2wdx n LEU 375 CO 0.51 -1.71 0.70 0.42 -1.33 0.00 0.00 177.39 175.98 2wdx s THR 376 N -1.32 1.99 0.24 -5.08 -4.23 -1.26 -4.69 115.64 101.29 2wdx s THR 376 Ca 0.64 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.11 2wdx s THR 376 Cb -0.55 -2.70 0.22 0.00 1.34 0.00 0.00 72.50 70.80 2wdx s THR 376 CO 0.56 0.00 1.84 0.44 -0.54 0.00 0.00 174.62 176.92 2wdx h ASP 377 N -1.60 0.78 -0.17 3.99 3.32 -1.99 0.28 116.42 121.03 2wdx h ASP 377 Ca -0.51 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 2wdx h ASP 377 Cb 1.33 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 2wdx h ASP 377 CO 0.61 0.48 -0.05 0.08 -1.72 0.00 0.00 179.24 178.63 2wdx h ARG 378 N 0.91 0.49 -0.05 3.56 -0.00 -2.00 -1.37 114.38 115.92 2wdx h ARG 378 Ca 0.39 -0.12 -0.05 0.00 -0.00 0.00 0.00 59.98 60.20 2wdx h ARG 378 Cb 0.25 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 30.16 2wdx h ARG 378 CO -0.20 0.56 -0.18 1.96 -0.00 0.00 0.00 179.97 182.11 2wdx h GLN 379 N 0.46 0.21 -0.49 0.08 4.20 -1.67 -2.38 115.11 115.53 2wdx h GLN 379 Ca 0.09 -0.16 0.10 0.00 0.06 0.00 0.00 58.65 58.74 2wdx h GLN 379 Cb 0.39 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.10 2wdx h GLN 379 CO 0.02 0.79 -0.10 0.82 -0.67 0.00 0.00 178.83 179.69 2wdx h ILE 380 N -0.32 0.53 -0.83 2.54 2.04 -0.38 -0.82 117.51 120.28 2wdx h ILE 380 Ca -0.01 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2wdx h ILE 380 Cb 0.81 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2wdx h ILE 380 CO 0.04 0.00 0.52 -0.61 0.00 0.00 0.00 178.15 178.10 2wdx h GLN 381 N 0.02 1.10 -0.83 2.37 5.75 -1.19 -1.27 115.11 121.07 2wdx h GLN 381 Ca 0.24 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 2wdx h GLN 381 Cb 0.36 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 2wdx h GLN 381 CO -0.48 0.75 0.39 0.00 -2.65 0.00 0.00 178.83 176.84 2wdx h ALA 382 N 1.45 1.13 0.26 3.38 0.00 -0.85 -0.38 119.26 124.24 2wdx h ALA 382 Ca 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2wdx h ALA 382 Cb -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.38 2wdx h ALA 382 CO -0.06 0.65 -0.12 0.28 0.00 0.00 0.00 179.25 180.00 2wdx h VAL 383 N 1.18 0.79 -0.43 0.00 2.07 -0.34 -2.49 116.25 117.03 2wdx h VAL 383 Ca 0.28 -0.33 0.09 0.00 0.82 0.00 0.00 66.70 67.57 2wdx h VAL 383 Cb 0.12 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 30.78 2wdx h VAL 383 CO -0.03 0.07 -0.22 0.22 0.02 0.00 0.00 177.57 177.63 2wdx h TYR 384 N -0.51 -0.55 -0.31 1.57 5.03 -1.08 0.10 116.97 121.22 2wdx h TYR 384 Ca -0.04 0.05 0.06 0.00 2.58 0.00 0.00 58.73 61.39 2wdx h TYR 384 Cb 0.38 0.31 -0.06 0.00 1.55 0.00 0.00 36.73 38.91 2wdx h TYR 384 CO -0.01 -0.30 -0.06 1.49 -1.32 0.00 0.00 178.16 177.96 2wdx h GLU 385 N -0.13 0.02 -0.03 1.82 4.57 -1.06 -0.59 114.58 119.17 2wdx h GLU 385 Ca 0.21 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.21 2wdx h GLU 385 Cb 0.45 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2wdx h GLU 385 CO -0.51 0.01 -0.74 -0.91 -1.18 0.00 0.00 179.01 175.67 2wdx h ASN 386 N 0.02 0.27 1.22 1.04 2.35 -1.00 -2.55 115.58 116.93 2wdx h ASN 386 Ca 0.15 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2wdx h ASN 386 Cb 0.23 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 2wdx h ASN 386 CO -0.31 0.92 -0.06 0.24 -1.65 0.00 0.00 177.43 176.57 2wdx h MET 387 N 0.15 0.00 -0.01 0.81 2.86 -0.63 -2.99 114.93 115.12 2wdx h MET 387 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2wdx h MET 387 Cb 1.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.97 2wdx h MET 387 CO 0.11 0.06 -0.25 2.41 1.06 0.00 0.00 176.91 180.30 2wdx n THR 388 N -3.16 0.00 -3.54 2.22 -1.04 -0.25 -4.58 114.28 103.94 2wdx n THR 388 Ca 0.01 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.05 61.56 2wdx n THR 388 Cb 0.39 0.64 -0.10 0.00 -1.82 0.00 0.00 70.33 69.44 2wdx n THR 388 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wdx n HIS 389 N -0.30 0.51 -2.57 -1.42 -0.00 -0.98 -4.97 115.22 105.49 2wdx n HIS 389 Ca 0.13 -3.65 -0.17 0.00 -0.00 0.00 0.00 57.72 54.02 2wdx n HIS 389 Cb 0.39 -0.06 0.02 0.00 -0.00 0.00 0.00 29.99 30.33 2wdx n HIS 389 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wdx n MET 390 N 2.43 2.23 -2.28 -0.41 0.00 -1.26 -4.88 117.12 112.95 2wdx n MET 390 Ca 0.26 -3.84 -0.41 0.00 0.00 0.00 0.00 57.70 53.72 2wdx n MET 390 Cb 0.44 -1.72 -0.03 0.00 0.00 0.00 0.00 33.22 31.91 2wdx n MET 390 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2wdx s ASP 391 N -3.34 6.97 0.00 3.17 1.01 -1.26 -2.92 116.67 120.30 2wdx s ASP 391 Ca 0.37 2.32 0.00 0.00 0.71 0.00 0.00 52.55 55.95 2wdx s ASP 391 Cb 0.43 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.75 2wdx s ASP 391 CO -0.06 -0.47 0.00 0.61 0.21 0.00 0.00 175.17 175.46 2wdx n GLY 392 N 2.34 0.48 3.20 0.21 0.00 -1.26 -5.02 105.19 105.14 2wdx n GLY 392 Ca 0.06 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2wdx n GLY 392 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdx s ILE 393 N -2.00 3.10 0.06 -0.61 -1.09 -1.15 -4.86 121.20 114.65 2wdx s ILE 393 Ca 0.00 -1.20 -0.37 0.00 -2.23 0.00 0.00 60.65 56.85 2wdx s ILE 393 Cb 0.00 -2.70 -0.21 0.00 -1.58 0.00 0.00 42.46 37.97 2wdx s ILE 393 CO 0.00 -0.01 1.55 0.44 -1.23 0.00 0.00 174.94 175.70 2wdx h ASP 394 N 8.04 -1.14 -4.13 3.58 3.32 -1.89 -3.44 116.42 120.75 2wdx h ASP 394 Ca -0.25 0.04 -0.41 0.00 0.02 0.00 0.00 57.03 56.43 2wdx h ASP 394 Cb 1.08 0.30 -0.28 0.00 0.22 0.00 0.00 39.33 40.65 2wdx h ASP 394 CO 0.56 -0.81 -0.78 -0.47 -1.72 0.00 0.00 179.24 176.01 2wdx s TYR 395 N -5.93 0.92 -0.23 4.55 5.04 -0.38 -4.87 117.35 116.45 2wdx s TYR 395 Ca -0.20 -0.21 -0.19 0.00 -2.44 0.00 0.00 57.07 54.04 2wdx s TYR 395 Cb 0.02 -0.58 0.06 0.00 0.35 0.00 0.00 41.96 41.81 2wdx s TYR 395 CO 0.59 -0.01 0.59 0.20 -1.34 0.00 0.00 175.55 175.58 2wdx s GLY 396 N -0.41 -0.47 -0.03 8.97 0.00 -1.26 -1.40 107.32 112.72 2wdx s GLY 396 Ca 0.03 1.81 -0.29 0.00 0.00 0.00 0.00 44.72 46.27 2wdx s GLY 396 CO -0.00 1.66 0.78 0.00 0.00 0.00 0.00 173.10 175.54 2wdx s ALA 397 N 0.69 -1.79 -0.07 3.20 0.00 0.21 -1.90 121.76 122.11 2wdx s ALA 397 Ca -0.03 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.15 2wdx s ALA 397 Cb -0.05 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 2wdx s ALA 397 CO -0.05 -0.49 -0.23 0.08 0.00 0.00 0.00 175.76 175.08 2wdx s VAL 398 N -2.01 1.92 -0.11 0.00 1.01 -0.05 -0.86 120.40 120.31 2wdx s VAL 398 Ca -0.04 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.00 2wdx s VAL 398 Cb -0.00 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.74 2wdx s VAL 398 CO 0.00 0.53 -0.20 0.26 0.00 0.00 0.00 175.10 175.69 2wdx s TRP 399 N 0.03 2.31 -0.32 5.22 0.52 -0.30 -0.19 118.94 126.20 2wdx s TRP 399 Ca -0.08 -1.02 -0.05 0.00 0.02 0.00 0.00 56.10 54.97 2wdx s TRP 399 Cb -0.15 -1.58 0.04 0.00 -1.15 0.00 0.00 33.47 30.63 2wdx s TRP 399 CO 0.05 -0.45 0.07 -0.51 0.02 0.00 0.00 176.95 176.13 2wdx s LEU 400 N 0.62 4.16 -0.22 2.99 1.02 -0.52 -1.32 118.68 125.41 2wdx s LEU 400 Ca -0.13 -1.15 -0.07 0.00 0.02 0.00 0.00 54.13 52.81 2wdx s LEU 400 Cb -0.16 -1.83 -0.03 0.00 0.02 0.00 0.00 46.19 44.19 2wdx s LEU 400 CO 0.04 -0.30 0.04 -0.63 0.02 0.00 0.00 176.35 175.52 2wdx s ILE 401 N 1.37 4.25 0.39 -0.59 1.01 0.13 -1.37 121.20 126.39 2wdx s ILE 401 Ca -0.02 -0.20 -0.28 0.00 0.00 0.00 0.00 60.65 60.15 2wdx s ILE 401 Cb -0.19 -2.95 -0.11 0.00 0.01 0.00 0.00 42.46 39.22 2wdx s ILE 401 CO 0.02 0.39 1.49 0.61 0.00 0.00 0.00 174.94 177.44 2wdx n GLY 402 N 4.50 1.20 0.73 6.18 0.00 -0.06 -0.64 105.19 117.10 2wdx n GLY 402 Ca -0.17 0.29 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 2wdx n GLY 402 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wdx n TYR 403 N 0.34 -0.76 0.00 1.61 9.36 -0.38 -4.79 117.16 122.53 2wdx n TYR 403 Ca 0.02 -0.48 0.00 0.00 3.32 0.00 0.00 57.90 60.75 2wdx n TYR 403 Cb 0.39 0.13 0.00 0.00 -0.63 0.00 0.00 39.34 39.24 2wdx n TYR 403 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wdx n GLY 404 N -0.12 0.53 7.00 2.98 0.00 -1.21 -4.64 105.19 109.73 2wdx n GLY 404 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2wdx n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 405 N 0.00 3.12 0.34 -0.02 0.00 -0.08 -1.79 105.19 106.76 2wdx n GLY 405 Ca 0.00 -0.13 0.18 0.00 0.00 0.00 0.00 46.02 46.07 2wdx n GLY 405 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wdx h LYS 406 N 0.00 0.00 -0.65 1.61 1.63 -0.96 -0.88 116.57 117.32 2wdx h LYS 406 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2wdx h LYS 406 Cb 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 2wdx h LYS 406 CO 0.00 0.00 0.43 0.28 -3.45 0.00 0.00 179.45 176.71 2wdx h VAL 407 N 0.00 1.13 -0.17 2.00 2.07 -1.42 -2.98 116.25 116.88 2wdx h VAL 407 Ca 0.04 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2wdx h VAL 407 Cb 0.44 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2wdx h VAL 407 CO -0.00 0.15 0.00 0.59 0.02 0.00 0.00 177.57 178.33 2wdx n ASN 408 N -4.45 1.29 -0.06 0.57 3.02 -0.33 -3.21 115.26 112.08 2wdx n ASN 408 Ca 0.07 -1.74 0.13 0.00 -0.03 0.00 0.00 54.58 53.01 2wdx n ASN 408 Cb 0.08 -0.11 0.50 0.00 -0.61 0.00 0.00 39.78 39.65 2wdx n ASN 408 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2wdx n THR 409 N 0.11 0.00 -3.70 3.41 -2.24 -1.13 -4.85 114.28 105.88 2wdx n THR 409 Ca 0.14 -0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.51 2wdx n THR 409 Cb 0.25 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 2wdx n THR 409 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wdx s VAL 410 N -2.75 5.28 0.33 2.28 1.01 -1.20 -5.07 120.40 120.29 2wdx s VAL 410 Ca 0.20 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 2wdx s VAL 410 Cb 0.19 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 2wdx s VAL 410 CO 0.55 0.60 1.28 -0.62 0.00 0.00 0.00 175.10 176.91 2wdx s ASP 411 N -1.05 6.83 0.33 3.32 2.15 -1.26 -4.80 116.67 122.18 2wdx s ASP 411 Ca 0.19 2.63 0.12 0.00 0.43 0.00 0.00 52.55 55.92 2wdx s ASP 411 Cb -0.14 -2.65 1.02 0.00 -0.30 0.00 0.00 42.92 40.86 2wdx s ASP 411 CO 0.08 -0.49 1.66 -0.65 -0.17 0.00 0.00 175.17 175.60 2wdx h PRO 412 N 3.41 0.30 -0.01 4.34 0.11 -1.84 -0.60 132.00 137.71 2wdx h PRO 412 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wdx h PRO 412 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wdx h PRO 412 CO 0.65 0.20 -0.18 0.00 -0.21 0.00 0.00 178.00 178.47 2wdx n ALA 413 N -2.36 2.92 0.27 -0.75 0.00 -1.26 -4.04 120.51 115.29 2wdx n ALA 413 Ca 0.30 -0.47 0.13 0.00 0.00 0.00 0.00 53.44 53.40 2wdx n ALA 413 Cb 0.93 -1.07 0.29 0.00 0.00 0.00 0.00 19.45 19.60 2wdx n ALA 413 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdx h ALA 414 N 4.02 1.00 -1.98 0.00 0.00 -1.45 -3.45 119.26 117.39 2wdx h ALA 414 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2wdx h ALA 414 Cb 0.58 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.24 2wdx h ALA 414 CO 0.00 0.00 -0.50 0.95 0.00 0.00 0.00 179.25 179.70 2wdx s THR 415 N -3.29 0.37 -1.14 0.00 -4.23 -1.25 -5.03 115.64 101.07 2wdx s THR 415 Ca 0.06 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.83 2wdx s THR 415 Cb 0.07 -2.35 0.29 0.00 1.34 0.00 0.00 72.50 71.84 2wdx s THR 415 CO 0.63 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.56 2wdx n ALA 416 N -0.85 2.22 -2.65 3.99 0.00 -0.98 -4.66 120.51 117.58 2wdx n ALA 416 Ca -0.02 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 2wdx n ALA 416 Cb 0.64 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 2wdx n ALA 416 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wdx s LEU 417 N -2.86 4.24 0.12 0.00 1.43 -1.22 -4.74 118.68 115.66 2wdx s LEU 417 Ca 0.17 -0.39 0.26 0.00 -1.03 0.00 0.00 54.13 53.13 2wdx s LEU 417 Cb 0.17 -2.80 0.97 0.00 0.03 0.00 0.00 46.19 44.55 2wdx s LEU 417 CO 0.45 -1.14 1.80 -0.81 0.23 0.00 0.00 176.35 176.88 2wdx n PRO 418 N 7.17 0.14 -3.07 1.29 -0.04 -1.26 -4.67 135.00 134.56 2wdx n PRO 418 Ca 0.01 0.17 -0.45 0.00 -0.04 0.00 0.00 63.50 63.18 2wdx n PRO 418 Cb 0.47 -1.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 2wdx n PRO 418 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2wdx s GLN 419 N -3.08 3.55 -0.20 0.54 1.11 -1.26 -4.57 119.66 115.75 2wdx s GLN 419 Ca 0.11 -1.95 0.13 0.00 0.01 0.00 0.00 55.36 53.66 2wdx s GLN 419 Cb 0.14 -4.69 0.40 0.00 -1.01 0.00 0.00 33.01 27.85 2wdx s GLN 419 CO 0.52 -1.59 1.23 0.54 0.01 0.00 0.00 175.29 176.00 2wdx n ARG 420 N 5.69 1.57 0.00 2.91 5.12 -1.26 -4.51 116.66 126.17 2wdx n ARG 420 Ca 0.18 -3.15 0.00 0.00 -1.93 0.00 0.00 57.85 52.95 2wdx n ARG 420 Cb 0.48 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 2wdx n ARG 420 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2wdx n ASP 421 N -1.17 2.43 -4.77 0.55 -0.08 -1.26 -4.41 116.55 107.83 2wdx n ASP 421 Ca 0.20 -0.02 -0.33 0.00 -1.51 0.00 0.00 54.79 53.12 2wdx n ASP 421 Cb 0.71 0.52 0.04 0.00 2.34 0.00 0.00 41.12 44.74 2wdx n ASP 421 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wdx s ALA 422 N -1.01 2.50 -0.01 -1.67 0.00 -1.26 -4.75 121.76 115.56 2wdx s ALA 422 Ca 0.00 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.61 2wdx s ALA 422 Cb 0.00 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 2wdx s ALA 422 CO 0.00 -1.20 0.08 0.44 0.00 0.00 0.00 175.76 175.08 2wdx n ILE 423 N -2.23 0.06 -3.79 0.00 -5.35 0.42 -3.28 119.36 105.19 2wdx n ILE 423 Ca 0.11 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.35 2wdx n ILE 423 Cb 0.52 0.12 -0.09 0.00 -1.74 0.00 0.00 39.64 38.45 2wdx n ILE 423 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2wdx s LEU 424 N -3.53 1.07 0.02 7.28 1.43 -1.12 -1.25 118.68 122.57 2wdx s LEU 424 Ca -0.02 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 2wdx s LEU 424 Cb 0.03 1.13 -0.04 0.00 0.03 0.00 0.00 46.19 47.34 2wdx s LEU 424 CO 0.18 -0.48 -0.02 -0.54 0.23 0.00 0.00 176.35 175.72 2wdx s LYS 425 N -1.78 2.66 -0.06 1.70 1.02 0.19 -1.56 119.74 121.90 2wdx s LYS 425 Ca -0.11 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.21 2wdx s LYS 425 Cb -0.04 -2.59 0.01 0.00 -0.52 0.00 0.00 37.83 34.69 2wdx s LYS 425 CO 0.01 0.60 -0.12 0.54 -0.92 0.00 0.00 175.35 175.46 2wdx s VAL 426 N -1.11 1.08 0.05 3.17 0.11 -0.56 0.21 120.40 123.35 2wdx s VAL 426 Ca 0.20 -0.45 0.04 0.00 -2.93 0.00 0.00 61.98 58.84 2wdx s VAL 426 Cb -0.11 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2wdx s VAL 426 CO 0.11 0.34 -0.02 0.20 -3.33 0.00 0.00 175.10 172.40 2wdx s ASN 427 N 0.70 4.91 -0.25 3.54 0.01 -0.44 -1.44 114.94 121.98 2wdx s ASN 427 Ca -0.14 -0.14 0.02 0.00 -0.71 0.00 0.00 52.86 51.89 2wdx s ASN 427 Cb -0.16 -1.18 0.05 0.00 0.41 0.00 0.00 41.25 40.37 2wdx s ASN 427 CO 0.03 0.23 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.42 2wdx s TYR 428 N -1.17 3.16 -0.06 2.20 1.51 -0.43 -1.15 117.35 121.40 2wdx s TYR 428 Ca 0.22 -2.13 0.06 0.00 -1.01 0.00 0.00 57.07 54.20 2wdx s TYR 428 Cb -0.11 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 2wdx s TYR 428 CO 0.13 -0.85 -0.24 0.42 -1.11 0.00 0.00 175.55 173.90 2wdx s ILE 429 N 1.16 2.14 0.05 2.71 1.01 -0.04 -1.19 121.20 127.03 2wdx s ILE 429 Ca -0.06 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.60 2wdx s ILE 429 Cb -0.18 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 2wdx s ILE 429 CO -0.06 0.57 -0.13 0.28 0.00 0.00 0.00 174.94 175.60 2wdx s THR 430 N -0.16 0.98 0.02 2.92 -1.32 -0.71 -0.62 115.64 116.76 2wdx s THR 430 Ca -0.03 -1.09 0.02 0.00 -1.21 0.00 0.00 61.69 59.38 2wdx s THR 430 Cb -0.14 -0.93 -0.01 0.00 -1.51 0.00 0.00 72.50 69.91 2wdx s THR 430 CO 0.04 -0.14 -0.07 -0.83 -2.21 0.00 0.00 174.62 171.41 2wdx s GLY 431 N -1.39 0.41 0.01 6.08 0.00 -0.50 -1.61 107.32 110.33 2wdx s GLY 431 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2wdx s GLY 431 CO 0.01 -0.51 -0.02 0.66 0.00 0.00 0.00 173.10 173.24 2wdx s TRP 432 N -0.73 0.21 0.08 1.90 -2.14 -0.77 -1.25 118.94 116.23 2wdx s TRP 432 Ca -0.03 -0.22 -0.05 0.00 2.66 0.00 0.00 56.10 58.45 2wdx s TRP 432 Cb -0.06 -0.14 -0.27 0.00 -3.10 0.00 0.00 33.47 29.90 2wdx s TRP 432 CO 0.00 -0.07 1.14 0.00 -2.66 0.00 0.00 176.95 175.37 2wdx h ALA 433 N 5.53 0.09 -3.12 2.67 0.00 -1.97 -3.28 119.26 119.18 2wdx h ALA 433 Ca -0.28 -0.87 -0.67 0.00 0.00 0.00 0.00 54.91 53.10 2wdx h ALA 433 Cb 1.21 0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.72 2wdx h ALA 433 CO 0.47 0.93 -0.74 1.21 0.00 0.00 0.00 179.25 181.12 2wdx s ASN 434 N -7.19 4.24 0.35 0.00 3.04 -1.26 -4.95 114.94 109.17 2wdx s ASN 434 Ca -0.05 -0.64 0.20 0.00 0.04 0.00 0.00 52.86 52.41 2wdx s ASN 434 Cb 0.07 -1.69 1.27 0.00 -1.54 0.00 0.00 41.25 39.36 2wdx s ASN 434 CO 0.89 -0.08 1.48 -2.65 -3.04 0.00 0.00 177.10 173.70 2wdx n PRO 435 N 4.73 -0.05 0.25 0.43 -0.02 -1.26 0.58 135.00 139.65 2wdx n PRO 435 Ca -0.17 1.28 0.08 0.00 -2.02 0.00 0.00 63.50 62.67 2wdx n PRO 435 Cb 0.49 -2.32 0.62 0.00 -0.02 0.00 0.00 33.50 32.27 2wdx n PRO 435 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2wdx h GLY 436 N 0.00 0.00 0.85 -1.23 0.00 -2.01 -2.23 103.07 98.45 2wdx h GLY 436 Ca 0.80 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.13 2wdx h GLY 436 CO -0.70 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.54 2wdx n ASN 437 N -4.16 0.00 -0.05 0.19 5.03 0.20 -4.32 115.26 112.15 2wdx n ASN 437 Ca -0.02 -1.09 -0.08 0.00 0.87 0.00 0.00 54.58 54.25 2wdx n ASN 437 Cb 0.20 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.94 2wdx n ASN 437 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 2wdx h GLU 438 N 0.00 -0.00 -0.55 3.52 4.81 -1.46 -2.99 114.58 117.90 2wdx h GLU 438 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2wdx h GLU 438 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2wdx h GLU 438 CO 0.00 -0.00 0.30 0.00 -0.73 0.00 0.00 179.01 178.57 2wdx h ALA 439 N 1.22 1.49 -0.26 2.92 0.00 -1.83 -1.75 119.26 121.04 2wdx h ALA 439 Ca 0.11 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 2wdx h ALA 439 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2wdx h ALA 439 CO -0.23 0.42 -0.55 -0.22 0.00 0.00 0.00 179.25 178.67 2wdx h LYS 440 N 0.76 0.78 -0.41 0.00 1.63 -1.84 -2.11 116.57 115.38 2wdx h LYS 440 Ca 0.20 -0.50 -0.08 0.00 -0.85 0.00 0.00 60.65 59.42 2wdx h LYS 440 Cb 0.03 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 2wdx h LYS 440 CO -0.03 1.12 -0.06 0.45 -3.45 0.00 0.00 179.45 177.48 2wdx h HIS 441 N 0.60 0.86 -0.45 1.91 3.86 -1.31 -2.21 115.15 118.40 2wdx h HIS 441 Ca 0.01 -0.17 0.01 0.00 -1.16 0.00 0.00 60.37 59.06 2wdx h HIS 441 Cb 1.14 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 2wdx h HIS 441 CO 0.06 0.87 0.29 -0.07 0.86 0.00 0.00 177.93 179.95 2wdx h LEU 442 N 0.59 0.49 -0.25 2.43 3.38 -1.32 -1.14 115.31 119.50 2wdx h LEU 442 Ca 0.11 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2wdx h LEU 442 Cb 0.57 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2wdx h LEU 442 CO 0.03 0.35 -0.06 0.74 0.09 0.00 0.00 178.44 179.60 2wdx h THR 443 N 0.59 0.76 0.72 0.22 2.02 -1.32 -0.91 112.91 114.99 2wdx h THR 443 Ca 0.17 -0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.31 2wdx h THR 443 Cb -0.05 0.75 0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2wdx h THR 443 CO -0.05 0.00 -0.35 -0.25 0.37 0.00 0.00 175.52 175.25 2wdx h TRP 444 N 0.01 -0.90 -0.67 3.16 7.01 -1.22 0.11 115.95 123.44 2wdx h TRP 444 Ca 0.12 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.19 2wdx h TRP 444 Cb 0.18 0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 27.49 2wdx h TRP 444 CO -0.25 -0.53 0.45 -0.24 -2.79 0.00 0.00 178.44 175.08 2wdx h VAL 445 N -1.08 0.93 -0.05 2.65 3.04 -1.21 -0.30 116.25 120.23 2wdx h VAL 445 Ca -0.10 -0.19 -0.22 0.00 -1.01 0.00 0.00 66.70 65.18 2wdx h VAL 445 Cb 0.76 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 2wdx h VAL 445 CO 0.16 0.10 -0.87 0.03 -1.01 0.00 0.00 177.57 175.99 2wdx h ARG 446 N 0.56 0.53 -0.27 4.17 3.08 -1.07 -2.19 114.38 119.19 2wdx h ARG 446 Ca 0.31 -0.50 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 2wdx h ARG 446 Cb 0.46 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2wdx h ARG 446 CO -0.10 1.13 0.15 -0.22 -1.07 0.00 0.00 179.97 179.86 2wdx h LYS 447 N 0.33 0.37 -0.49 0.04 3.64 -0.04 -1.23 116.57 119.18 2wdx h LYS 447 Ca -0.07 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2wdx h LYS 447 Cb 1.49 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 33.16 2wdx h LYS 447 CO 0.16 0.32 0.05 1.25 -2.27 0.00 0.00 179.45 178.97 2wdx h LEU 448 N 0.32 -0.09 0.15 5.20 6.46 -1.01 0.28 115.31 126.62 2wdx h LEU 448 Ca 0.09 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 2wdx h LEU 448 Cb 0.06 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 2wdx h LEU 448 CO -0.02 -0.02 -0.07 0.22 -0.62 0.00 0.00 178.44 177.93 2wdx h TYR 449 N 0.18 -0.19 -0.72 1.25 3.20 -1.35 -2.41 116.97 116.93 2wdx h TYR 449 Ca 0.25 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.20 2wdx h TYR 449 Cb 0.35 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.62 2wdx h TYR 449 CO -0.26 0.22 0.38 0.00 -1.64 0.00 0.00 178.16 176.86 2wdx h ALA 450 N 0.06 1.00 0.16 1.82 0.00 -1.03 -1.38 119.26 119.89 2wdx h ALA 450 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wdx h ALA 450 Cb 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2wdx h ALA 450 CO 0.03 0.01 -0.23 -0.44 0.00 0.00 0.00 179.25 178.63 2wdx h ASP 451 N 0.67 -0.63 -0.84 0.00 3.32 -0.99 0.58 116.42 118.53 2wdx h ASP 451 Ca 0.35 0.07 0.11 0.00 0.02 0.00 0.00 57.03 57.57 2wdx h ASP 451 Cb 0.32 0.23 -0.08 0.00 0.22 0.00 0.00 39.33 40.02 2wdx h ASP 451 CO -0.24 -0.32 0.48 0.58 -1.72 0.00 0.00 179.24 178.01 2wdx h VAL 452 N -0.45 0.87 -0.52 -1.35 2.07 -1.13 -2.65 116.25 113.08 2wdx h VAL 452 Ca 0.02 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2wdx h VAL 452 Cb 0.45 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2wdx h VAL 452 CO -0.10 0.14 0.00 -1.22 0.02 0.00 0.00 177.57 176.41 2wdx n TYR 453 N -4.76 1.46 -0.35 1.57 4.01 -0.55 -4.65 117.16 113.90 2wdx n TYR 453 Ca 0.15 -0.69 0.29 0.00 -0.16 0.00 0.00 57.90 57.48 2wdx n TYR 453 Cb 0.32 -0.32 0.55 0.00 -0.31 0.00 0.00 39.34 39.57 2wdx n TYR 453 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wdx h ALA 454 N 3.41 2.19 0.00 -0.72 0.00 0.56 0.28 119.26 124.98 2wdx h ALA 454 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wdx h ALA 454 Cb 1.55 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2wdx h ALA 454 CO 0.29 -0.85 0.00 0.39 0.00 0.00 0.00 179.25 179.07 2wdx n GLU 455 N -5.03 0.52 -2.72 0.00 1.02 -1.26 -3.87 120.64 109.30 2wdx n GLU 455 Ca 0.35 0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.41 2wdx n GLU 455 Cb 1.17 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 31.11 2wdx n GLU 455 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wdx n THR 456 N -1.18 0.93 -1.01 2.62 -2.24 0.92 -4.98 114.28 109.34 2wdx n THR 456 Ca 0.15 -3.36 -0.00 0.00 -2.27 0.00 0.00 64.05 58.56 2wdx n THR 456 Cb 0.16 0.44 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2wdx n THR 456 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdx n GLY 457 N -0.04 0.47 2.45 3.38 0.00 -1.22 -2.86 105.19 107.37 2wdx n GLY 457 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2wdx n GLY 457 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 458 N -2.84 0.62 3.23 -0.02 0.00 -0.85 -0.74 105.19 104.60 2wdx n GLY 458 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2wdx n GLY 458 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wdx s VAL 459 N -2.58 1.10 -0.90 1.61 -7.23 -1.14 -4.10 120.40 107.16 2wdx s VAL 459 Ca 0.00 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 2wdx s VAL 459 Cb 0.00 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 35.11 2wdx s VAL 459 CO 0.00 -0.72 2.07 -0.81 -0.31 0.00 0.00 175.10 175.33 2wdx n PRO 460 N -0.06 1.97 -1.67 4.82 -0.04 -1.26 -4.63 135.00 134.14 2wdx n PRO 460 Ca -0.11 -1.60 -0.46 0.00 -0.04 0.00 0.00 63.50 61.29 2wdx n PRO 460 Cb 0.60 -2.60 -0.04 0.00 -0.04 0.00 0.00 33.50 31.42 2wdx n PRO 460 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wdx n VAL 461 N 4.69 0.11 -1.66 0.52 0.31 -1.26 -0.76 118.33 120.28 2wdx n VAL 461 Ca 0.46 -0.03 -0.50 0.00 -0.01 0.00 0.00 64.34 64.27 2wdx n VAL 461 Cb 0.21 -1.50 -0.05 0.00 -0.91 0.00 0.00 33.84 31.59 2wdx n VAL 461 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2wdx n PRO 462 N 3.22 1.74 -2.75 5.55 -0.02 -1.26 -4.47 135.00 137.01 2wdx n PRO 462 Ca 0.16 0.63 -0.07 0.00 -2.02 0.00 0.00 63.50 62.21 2wdx n PRO 462 Cb 0.29 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.38 2wdx n PRO 462 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wdx n ASN 463 N 4.20 -0.82 0.19 2.55 4.05 0.33 -4.95 115.26 120.80 2wdx n ASN 463 Ca 0.20 -1.96 0.07 0.00 0.45 0.00 0.00 54.58 53.34 2wdx n ASN 463 Cb 0.24 1.48 0.24 0.00 1.23 0.00 0.00 39.78 42.98 2wdx n ASN 463 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 2wdx h ASP 464 N 1.04 0.00 0.00 1.20 5.19 -2.03 -3.35 116.42 118.47 2wdx h ASP 464 Ca -0.15 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 55.88 2wdx h ASP 464 Cb 0.63 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.08 2wdx h ASP 464 CO 0.20 0.30 -2.32 0.52 -3.12 0.00 0.00 179.24 174.82 2wdx n VAL 465 N -3.27 1.31 -3.91 -1.35 0.31 -1.26 -4.38 118.33 105.78 2wdx n VAL 465 Ca 0.01 -0.41 -0.21 0.00 -0.01 0.00 0.00 64.34 63.72 2wdx n VAL 465 Cb 0.57 -1.58 -0.04 0.00 -0.91 0.00 0.00 33.84 31.88 2wdx n VAL 465 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2wdx s SER 466 N -6.71 5.44 -0.21 4.52 0.01 -1.26 0.47 113.70 115.96 2wdx s SER 466 Ca -0.32 -0.37 0.19 0.00 1.31 0.00 0.00 55.95 56.75 2wdx s SER 466 Cb 0.11 -1.17 0.42 0.00 0.21 0.00 0.00 66.02 65.59 2wdx s SER 466 CO 0.47 -0.23 1.22 -0.67 0.41 0.00 0.00 173.24 174.44 2wdx n ASP 467 N -1.31 0.47 0.00 2.44 2.03 -0.93 -0.52 116.55 118.73 2wdx n ASP 467 Ca -0.04 -2.06 0.00 0.00 0.52 0.00 0.00 54.79 53.20 2wdx n ASP 467 Cb 0.59 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 2wdx n ASP 467 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wdx n GLY 468 N -0.58 0.11 3.39 0.27 0.00 0.06 -4.64 105.19 103.80 2wdx n GLY 468 Ca -0.03 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 2wdx n GLY 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdx s ALA 469 N -1.59 2.11 -0.24 4.61 0.00 -0.36 -0.39 121.76 125.90 2wdx s ALA 469 Ca 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 51.96 50.05 2wdx s ALA 469 Cb 0.00 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 2wdx s ALA 469 CO 0.00 -0.40 0.03 -0.47 0.00 0.00 0.00 175.76 174.92 2wdx s TYR 470 N -3.52 3.05 0.54 0.00 5.04 -1.26 -4.29 117.35 116.91 2wdx s TYR 470 Ca 0.36 -0.67 0.27 0.00 -2.44 0.00 0.00 57.07 54.59 2wdx s TYR 470 Cb 0.07 -2.19 1.64 0.00 0.35 0.00 0.00 41.96 41.83 2wdx s TYR 470 CO 0.15 -0.45 2.19 0.97 -1.34 0.00 0.00 175.55 177.07 2wdx h ILE 471 N 5.64 0.62 0.00 3.14 6.09 -1.86 0.13 117.51 131.26 2wdx h ILE 471 Ca -0.39 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 2wdx h ILE 471 Cb 1.16 1.09 0.00 0.00 0.47 0.00 0.00 36.82 39.55 2wdx h ILE 471 CO 0.59 0.04 0.00 0.59 -3.07 0.00 0.00 178.15 176.30 2wdx n ASN 472 N -3.90 0.00 -3.06 2.19 3.02 -1.26 -3.23 115.26 109.02 2wdx n ASN 472 Ca -0.03 -0.35 -0.26 0.00 -0.03 0.00 0.00 54.58 53.91 2wdx n ASN 472 Cb 0.13 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.09 2wdx n ASN 472 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2wdx n TYR 473 N -1.16 3.52 -1.97 3.10 4.01 0.45 -4.81 117.16 120.30 2wdx n TYR 473 Ca 0.14 -4.00 -0.37 0.00 -0.16 0.00 0.00 57.90 53.50 2wdx n TYR 473 Cb 0.13 -0.49 0.03 0.00 -0.31 0.00 0.00 39.34 38.70 2wdx n TYR 473 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2wdx s PRO 474 N -3.13 3.22 -0.23 -0.72 0.04 -1.20 -4.75 135.00 128.24 2wdx s PRO 474 Ca 0.46 2.00 -0.03 0.00 0.04 0.00 0.00 61.00 63.46 2wdx s PRO 474 Cb 0.26 -2.19 0.10 0.00 0.04 0.00 0.00 34.50 32.71 2wdx s PRO 474 CO -0.11 -1.05 0.21 0.34 0.04 0.00 0.00 177.00 176.43 2wdx s ASP 475 N -1.25 1.75 0.33 6.66 2.15 -1.26 -4.39 116.67 120.65 2wdx s ASP 475 Ca 0.72 -0.47 0.26 0.00 0.43 0.00 0.00 52.55 53.48 2wdx s ASP 475 Cb -0.34 0.27 1.12 0.00 -0.30 0.00 0.00 42.92 43.67 2wdx s ASP 475 CO 0.40 -0.35 1.78 0.77 -0.17 0.00 0.00 175.17 177.59 2wdx h SER 476 N 8.32 0.00 -0.16 -0.34 4.64 -1.95 -2.49 113.55 121.57 2wdx h SER 476 Ca -0.16 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.20 2wdx h SER 476 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2wdx h SER 476 CO 0.31 0.00 0.13 0.44 -0.87 0.00 0.00 176.83 176.84 2wdx h ASP 477 N 0.00 0.00 0.67 4.97 3.32 -1.95 -0.35 116.42 123.07 2wdx h ASP 477 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2wdx h ASP 477 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2wdx h ASP 477 CO 0.00 0.00 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.18 2wdx h LEU 478 N 0.00 0.00 -0.94 1.55 3.38 -1.84 -2.05 115.31 115.41 2wdx h LEU 478 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wdx h LEU 478 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2wdx h LEU 478 CO -0.00 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.80 2wdx n ALA 479 N -2.30 2.49 -2.98 1.53 0.00 -0.15 -3.67 120.51 115.43 2wdx n ALA 479 Ca -0.01 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.60 2wdx n ALA 479 Cb 0.40 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.69 2wdx n ALA 479 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wdx s ASP 480 N -1.21 5.32 0.49 0.00 2.15 -0.77 -4.97 116.67 117.67 2wdx s ASP 480 Ca 0.23 -0.33 0.32 0.00 0.43 0.00 0.00 52.55 53.20 2wdx s ASP 480 Cb 0.12 -1.96 1.30 0.00 -0.30 0.00 0.00 42.92 42.08 2wdx s ASP 480 CO 0.17 -0.09 1.93 1.55 -0.17 0.00 0.00 175.17 178.56 2wdx h PRO 481 N 8.28 0.00 -0.10 4.34 0.13 -1.86 0.33 132.00 143.12 2wdx h PRO 481 Ca -0.36 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.66 2wdx h PRO 481 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2wdx h PRO 481 CO 0.59 0.00 -0.43 0.78 -0.23 0.00 0.00 178.00 178.71 2wdx h GLY 482 N 2.06 0.24 0.00 1.56 0.00 -1.93 -3.38 103.07 101.62 2wdx h GLY 482 Ca 0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 47.33 46.73 2wdx h GLY 482 CO 0.00 0.21 -2.39 1.04 0.00 0.00 0.00 176.54 175.41 2wdx n LEU 483 N -4.01 1.84 -4.26 3.11 7.99 -0.31 -4.82 117.00 116.54 2wdx n LEU 483 Ca -0.02 -0.08 -0.39 0.00 -0.01 0.00 0.00 56.01 55.51 2wdx n LEU 483 Cb 0.49 -0.35 -0.11 0.00 -0.11 0.00 0.00 43.42 43.34 2wdx n LEU 483 CO 0.42 0.75 -0.15 0.21 -1.51 0.00 0.00 177.39 177.11 2wdx s ASN 484 N -6.02 5.53 0.00 -1.43 3.84 0.10 -4.64 114.94 112.32 2wdx s ASN 484 Ca -0.24 -1.43 0.11 0.00 0.21 0.00 0.00 52.86 51.50 2wdx s ASN 484 Cb 0.08 -1.95 0.19 0.00 -0.55 0.00 0.00 41.25 39.02 2wdx s ASN 484 CO 0.66 -0.48 1.04 0.35 -2.79 0.00 0.00 177.10 175.89 2wdx n THR 485 N 4.87 0.50 -1.16 -5.21 -2.24 0.08 -4.31 114.28 106.80 2wdx n THR 485 Ca -0.10 -0.75 -0.29 0.00 -2.27 0.00 0.00 64.05 60.64 2wdx n THR 485 Cb 0.43 0.87 0.20 0.00 -2.10 0.00 0.00 70.33 69.73 2wdx n THR 485 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wdx s SER 486 N -0.95 2.10 -0.18 3.42 1.04 -1.21 -4.78 113.70 113.13 2wdx s SER 486 Ca 0.18 1.00 0.02 0.00 0.48 0.00 0.00 55.95 57.62 2wdx s SER 486 Cb 0.10 -1.54 0.26 0.00 0.10 0.00 0.00 66.02 64.95 2wdx s SER 486 CO 0.14 -3.44 1.38 0.61 0.98 0.00 0.00 173.24 172.91 2wdx n GLY 487 N -1.09 3.01 3.11 7.32 0.00 -1.26 -4.87 105.19 111.40 2wdx n GLY 487 Ca 0.07 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 2wdx n GLY 487 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdx s VAL 488 N -1.32 2.41 0.45 1.61 1.01 -1.26 -5.09 120.40 118.20 2wdx s VAL 488 Ca 0.23 -1.44 -0.23 0.00 0.00 0.00 0.00 61.98 60.53 2wdx s VAL 488 Cb 0.19 -2.35 -0.08 0.00 0.00 0.00 0.00 36.38 34.15 2wdx s VAL 488 CO 0.04 0.04 1.16 -2.16 0.00 0.00 0.00 175.10 174.19 2wdx s PRO 489 N 1.18 3.82 0.32 2.72 0.04 -1.26 -4.88 135.00 136.93 2wdx s PRO 489 Ca -0.06 1.78 0.05 0.00 0.04 0.00 0.00 61.00 62.82 2wdx s PRO 489 Cb -0.19 -2.46 0.86 0.00 0.04 0.00 0.00 34.50 32.76 2wdx s PRO 489 CO -0.05 -0.50 1.58 0.11 0.04 0.00 0.00 177.00 178.18 2wdx h TRP 490 N 2.16 0.15 -0.02 0.56 5.08 -1.95 -1.10 115.95 120.82 2wdx h TRP 490 Ca -0.49 0.06 -0.11 0.00 1.08 0.00 0.00 58.89 59.43 2wdx h TRP 490 Cb 1.24 0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 27.49 2wdx h TRP 490 CO 0.54 -0.42 -0.50 1.12 -1.28 0.00 0.00 178.44 177.90 2wdx h HIS 491 N 0.02 0.07 0.00 0.12 2.07 -1.92 -0.78 115.15 114.74 2wdx h HIS 491 Ca 0.64 -0.02 -0.10 0.00 -2.85 0.00 0.00 60.37 58.04 2wdx h HIS 491 Cb 1.41 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 31.36 2wdx h HIS 491 CO -0.39 0.55 -0.46 -0.44 -3.07 0.00 0.00 177.93 174.12 2wdx h ASP 492 N 0.05 0.00 -0.48 3.10 3.45 -1.52 0.21 116.42 121.24 2wdx h ASP 492 Ca -0.00 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.40 2wdx h ASP 492 Cb 0.90 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.65 2wdx h ASP 492 CO 0.07 0.46 0.07 -0.07 -1.57 0.00 0.00 179.24 178.20 2wdx h LEU 493 N 0.00 0.76 0.11 1.55 3.38 -0.85 -1.62 115.31 118.64 2wdx h LEU 493 Ca -0.00 -0.27 -0.21 0.00 0.09 0.00 0.00 57.88 57.49 2wdx h LEU 493 Cb 0.84 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 41.41 2wdx h LEU 493 CO 0.06 0.84 -0.89 1.88 0.09 0.00 0.00 178.44 180.42 2wdx h TYR 494 N 0.66 0.69 0.00 1.13 0.05 -1.20 -0.94 116.97 117.36 2wdx h TYR 494 Ca 0.14 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 58.47 2wdx h TYR 494 Cb 0.41 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.10 2wdx h TYR 494 CO 0.03 1.32 -0.60 0.66 -1.05 0.00 0.00 178.16 178.52 2wdx n TYR 495 N -4.06 0.00 0.00 4.88 4.01 0.73 -4.67 117.16 118.06 2wdx n TYR 495 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2wdx n TYR 495 Cb 0.83 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.82 2wdx n TYR 495 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2wdx n LYS 496 N -1.32 0.00 0.00 -0.72 5.02 -0.61 -0.12 118.16 120.41 2wdx n LYS 496 Ca 0.01 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 2wdx n LYS 496 Cb 0.14 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 35.60 2wdx n LYS 496 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdx n GLY 497 N 0.00 -1.07 0.28 0.72 0.00 -1.26 -3.06 105.19 100.79 2wdx n GLY 497 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.07 2wdx n GLY 497 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdx n ASN 498 N -1.41 1.14 0.03 1.61 3.02 0.83 -4.32 115.26 116.15 2wdx n ASN 498 Ca 0.07 -0.98 -0.12 0.00 -0.03 0.00 0.00 54.58 53.52 2wdx n ASN 498 Cb 0.20 0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 2wdx n ASN 498 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2wdx h HIS 499 N 1.39 0.02 -0.71 3.10 2.76 -1.56 -1.80 115.15 118.35 2wdx h HIS 499 Ca 0.00 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 2wdx h HIS 499 Cb 0.53 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.43 2wdx h HIS 499 CO 0.00 0.01 0.43 -1.35 -1.30 0.00 0.00 177.93 175.72 2wdx h PRO 500 N 0.02 0.79 -0.63 5.26 0.11 -1.86 0.04 132.00 135.75 2wdx h PRO 500 Ca 0.01 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2wdx h PRO 500 Cb 0.01 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 30.91 2wdx h PRO 500 CO -0.01 0.52 0.28 -0.09 -0.21 0.00 0.00 178.00 178.49 2wdx h ARG 501 N 0.81 0.90 -0.34 1.05 2.43 -1.82 -1.43 114.38 115.99 2wdx h ARG 501 Ca 0.30 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2wdx h ARG 501 Cb 0.09 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2wdx h ARG 501 CO -0.14 0.71 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.95 2wdx h LEU 502 N 0.89 0.50 -0.29 3.80 3.38 -0.39 -1.95 115.31 121.25 2wdx h LEU 502 Ca 0.22 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 2wdx h LEU 502 Cb 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wdx h LEU 502 CO -0.02 0.58 -0.52 0.03 0.09 0.00 0.00 178.44 178.60 2wdx h ARG 503 N 0.51 0.86 -0.50 1.13 3.08 -0.21 -1.39 114.38 117.86 2wdx h ARG 503 Ca 0.11 -0.54 0.10 0.00 0.07 0.00 0.00 59.98 59.72 2wdx h ARG 503 Cb 0.35 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.38 2wdx h ARG 503 CO 0.01 1.17 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.86 2wdx h LYS 504 N 0.64 0.10 -0.49 0.04 3.64 -1.14 -0.97 116.57 118.39 2wdx h LYS 504 Ca 0.02 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 2wdx h LYS 504 Cb 1.12 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 2wdx h LYS 504 CO 0.12 0.07 -0.12 0.28 -2.27 0.00 0.00 179.45 177.53 2wdx h VAL 505 N 0.11 1.26 -0.73 2.00 2.07 -1.23 -2.15 116.25 117.58 2wdx h VAL 505 Ca 0.25 -1.23 0.06 0.00 0.82 0.00 0.00 66.70 66.60 2wdx h VAL 505 Cb 0.38 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 2wdx h VAL 505 CO -0.42 0.43 0.42 0.50 0.02 0.00 0.00 177.57 178.52 2wdx h LYS 506 N 0.82 0.76 -0.01 1.57 1.63 -0.93 -1.44 116.57 118.96 2wdx h LYS 506 Ca 0.13 -0.05 -0.16 0.00 -0.85 0.00 0.00 60.65 59.73 2wdx h LYS 506 Cb 0.64 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 2wdx h LYS 506 CO 0.04 0.50 -0.73 0.00 -3.45 0.00 0.00 179.45 175.81 2wdx h ALA 507 N 1.37 0.76 0.04 5.00 0.00 -0.88 0.54 119.26 126.09 2wdx h ALA 507 Ca 0.32 -0.65 -0.23 0.00 0.00 0.00 0.00 54.91 54.35 2wdx h ALA 507 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2wdx h ALA 507 CO -0.18 0.88 -1.02 0.00 0.00 0.00 0.00 179.25 178.93 2wdx h ALA 508 N 1.21 0.34 0.00 0.00 0.00 -1.22 -3.29 119.26 116.30 2wdx h ALA 508 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2wdx h ALA 508 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wdx h ALA 508 CO 0.10 0.96 -1.22 0.66 0.00 0.00 0.00 179.25 179.75 2wdx n TYR 509 N -3.59 0.00 -2.98 0.00 4.01 -0.56 -4.72 117.16 109.31 2wdx n TYR 509 Ca -0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.47 2wdx n TYR 509 Cb 0.90 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 39.77 2wdx n TYR 509 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2wdx n ASP 510 N -1.68 2.76 -0.18 7.72 2.03 0.18 -4.01 116.55 123.37 2wdx n ASP 510 Ca -0.01 -3.33 0.10 0.00 0.52 0.00 0.00 54.79 52.06 2wdx n ASP 510 Cb 0.16 -0.57 0.40 0.00 -0.72 0.00 0.00 41.12 40.39 2wdx n ASP 510 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2wdx h PRO 511 N 2.96 0.62 0.00 -0.67 0.13 -1.66 0.40 132.00 133.77 2wdx h PRO 511 Ca 0.11 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2wdx h PRO 511 Cb 0.78 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2wdx h PRO 511 CO 0.67 0.41 0.00 0.54 -0.23 0.00 0.00 178.00 179.39 2wdx n ARG 512 N -4.50 0.06 -3.69 0.86 1.74 -1.26 -4.89 116.66 104.98 2wdx n ARG 512 Ca 0.12 0.10 -0.25 0.00 -0.77 0.00 0.00 57.85 57.06 2wdx n ARG 512 Cb 0.34 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.34 2wdx n ARG 512 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wdx n ASN 513 N -1.46 -4.48 0.24 0.55 5.15 0.13 -4.91 115.26 110.48 2wdx n ASN 513 Ca 0.07 -0.67 0.08 0.00 -0.60 0.00 0.00 54.58 53.45 2wdx n ASN 513 Cb 0.25 -4.53 0.58 0.00 -0.53 0.00 0.00 39.78 35.56 2wdx n ASN 513 CO 0.00 0.00 0.00 -0.74 1.40 0.00 0.00 177.26 177.92 2wdx h HIS 514 N -2.27 0.00 -3.68 1.20 -0.00 -1.90 -3.40 115.15 105.10 2wdx h HIS 514 Ca -0.58 0.00 -0.69 0.00 -0.00 0.00 0.00 60.37 59.09 2wdx h HIS 514 Cb 1.37 0.00 -0.31 0.00 -0.00 0.00 0.00 27.41 28.47 2wdx h HIS 514 CO 0.51 0.16 -0.63 -0.06 -0.00 0.00 0.00 177.93 177.91 2wdx s PHE 515 N -4.53 3.29 0.22 5.26 0.08 -1.26 -4.66 117.98 116.38 2wdx s PHE 515 Ca -0.04 -1.68 -0.15 0.00 0.12 0.00 0.00 56.93 55.19 2wdx s PHE 515 Cb 0.15 -2.35 0.01 0.00 -0.57 0.00 0.00 43.02 40.26 2wdx s PHE 515 CO 0.66 -0.79 0.49 -3.38 -0.10 0.00 0.00 175.22 172.11 2wdx s HIS 516 N 1.33 0.15 0.22 0.36 -3.43 -1.23 -4.54 115.29 108.14 2wdx s HIS 516 Ca -0.02 -0.51 -0.18 0.00 -0.80 0.00 0.00 55.06 53.55 2wdx s HIS 516 Cb -0.20 0.28 0.07 0.00 -1.43 0.00 0.00 32.58 31.29 2wdx s HIS 516 CO 0.01 -0.96 0.89 -2.39 -2.00 0.00 0.00 174.74 170.29 2wdx n HIS 517 N -0.35 -1.54 -0.32 0.38 1.44 -1.26 -4.96 115.22 108.61 2wdx n HIS 517 Ca -0.05 -1.30 0.17 0.00 -2.01 0.00 0.00 57.72 54.53 2wdx n HIS 517 Cb 0.62 0.64 0.36 0.00 0.12 0.00 0.00 29.99 31.73 2wdx n HIS 517 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wdx h ALA 518 N 2.00 1.59 -0.75 1.59 0.00 -1.93 -2.21 119.26 119.55 2wdx h ALA 518 Ca -0.26 0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 2wdx h ALA 518 Cb 1.10 0.20 -0.38 0.00 0.00 0.00 0.00 17.79 18.71 2wdx h ALA 518 CO 0.35 -0.45 -0.50 1.28 0.00 0.00 0.00 179.25 179.93 2wdx n LEU 519 N -5.09 5.27 -4.83 0.00 4.32 -1.26 -5.05 117.00 110.36 2wdx n LEU 519 Ca 0.26 -4.60 -0.36 0.00 -0.02 0.00 0.00 56.01 51.29 2wdx n LEU 519 Cb 0.78 -0.47 -0.06 0.00 -1.62 0.00 0.00 43.42 42.06 2wdx n LEU 519 CO 0.10 1.94 0.33 -0.94 -1.22 0.00 0.00 177.39 177.60 2wdx s SER 520 N -3.25 6.94 0.26 -1.43 1.04 -0.83 -5.03 113.70 111.40 2wdx s SER 520 Ca 0.53 1.26 -0.31 0.00 0.48 0.00 0.00 55.95 57.90 2wdx s SER 520 Cb 0.42 -2.36 -0.13 0.00 0.10 0.00 0.00 66.02 64.06 2wdx s SER 520 CO 0.03 0.06 1.49 -0.38 0.98 0.00 0.00 173.24 175.41 2wdx n ILE 521 N 0.74 0.94 -3.88 -1.02 5.41 -1.26 -4.86 119.36 115.43 2wdx n ILE 521 Ca -0.04 -0.24 -0.32 0.00 1.00 0.00 0.00 62.75 63.16 2wdx n ILE 521 Cb 0.51 -1.67 -0.04 0.00 -0.71 0.00 0.00 39.64 37.73 2wdx n ILE 521 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2wdx s ARG 522 N -0.39 3.47 0.00 0.38 3.00 -1.26 -5.04 118.95 119.11 2wdx s ARG 522 Ca 0.67 -0.34 0.00 0.00 0.00 0.00 0.00 55.73 56.05 2wdx s ARG 522 Cb -0.59 -3.04 0.00 0.00 0.00 0.00 0.00 34.95 31.32 2wdx s ARG 522 CO 0.49 0.61 0.28 -0.35 0.00 0.00 0.00 175.30 176.33