#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w1a n PRO 25 N 0.00 2.34 -0.96 5.55 -0.02 -1.26 -4.58 135.00 136.06 1w1a n PRO 25 Ca 0.00 0.83 -0.04 0.00 -2.02 0.00 0.00 63.50 62.27 1w1a n PRO 25 Cb 0.00 -2.54 0.17 0.00 -0.02 0.00 0.00 33.50 31.10 1w1a n PRO 25 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1w1a n ASN 26 N 2.13 2.73 -4.69 2.55 4.05 -1.26 -0.94 115.26 119.84 1w1a n ASN 26 Ca 0.10 -3.84 -0.42 0.00 0.45 0.00 0.00 54.58 50.86 1w1a n ASN 26 Cb 0.34 -0.54 -0.03 0.00 1.23 0.00 0.00 39.78 40.78 1w1a n ASN 26 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1w1a s GLU 27 N -3.33 4.31 0.48 1.20 0.41 -1.26 -4.94 118.70 115.56 1w1a s GLU 27 Ca 0.43 1.91 -0.24 0.00 -0.41 0.00 0.00 54.97 56.66 1w1a s GLU 27 Cb 0.39 -3.53 -0.07 0.00 -1.78 0.00 0.00 34.13 29.14 1w1a s GLU 27 CO -0.03 -0.52 1.37 -2.14 -0.49 0.00 0.00 175.26 173.45 1w1a s PRO 28 N 2.18 3.54 -0.01 0.39 0.02 -1.26 -4.43 135.00 135.42 1w1a s PRO 28 Ca 0.62 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.93 1w1a s PRO 28 Cb -0.30 -2.52 0.00 0.00 0.02 0.00 0.00 34.50 31.70 1w1a s PRO 28 CO 0.26 -0.88 -0.04 0.42 -0.33 0.00 0.00 177.00 176.43 1w1a s ILE 29 N -1.27 0.35 -0.26 2.83 1.01 0.22 -4.97 121.20 119.11 1w1a s ILE 29 Ca 0.64 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 61.08 1w1a s ILE 29 Cb -0.41 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 1w1a s ILE 29 CO 0.51 0.12 0.08 0.20 0.00 0.00 0.00 174.94 175.85 1w1a s ASN 30 N 0.19 5.20 0.16 3.58 0.01 -1.26 -0.32 114.94 122.50 1w1a s ASN 30 Ca -0.02 -0.24 -0.32 0.00 -0.71 0.00 0.00 52.86 51.58 1w1a s ASN 30 Cb -0.05 -1.94 -0.10 0.00 0.41 0.00 0.00 41.25 39.57 1w1a s ASN 30 CO -0.00 -0.05 1.62 0.86 -1.51 0.00 0.00 177.10 178.02 1w1a s TRP 31 N 1.62 2.92 0.05 2.20 -0.11 -0.19 -4.94 118.94 120.48 1w1a s TRP 31 Ca 0.06 0.50 -0.27 0.00 1.22 0.00 0.00 56.10 57.61 1w1a s TRP 31 Cb -0.15 -3.99 0.09 0.00 -1.50 0.00 0.00 33.47 27.92 1w1a s TRP 31 CO 0.04 -3.73 0.95 0.20 -4.62 0.00 0.00 176.95 169.80 1w1a s GLY 32 N 1.36 -0.36 -0.05 5.86 0.00 -1.26 -5.00 107.32 107.87 1w1a s GLY 32 Ca 0.72 0.64 -0.31 0.00 0.00 0.00 0.00 44.72 45.77 1w1a s GLY 32 CO 0.32 0.19 1.00 -0.11 0.00 0.00 0.00 173.10 174.50 1w1a s PHE 33 N -3.12 -0.26 0.13 1.90 -0.71 -1.26 -4.85 117.98 109.80 1w1a s PHE 33 Ca 0.09 0.14 -0.30 0.00 -1.04 0.00 0.00 56.93 55.82 1w1a s PHE 33 Cb -0.01 0.54 -0.07 0.00 -1.21 0.00 0.00 43.02 42.27 1w1a s PHE 33 CO -0.04 -0.45 1.24 0.15 -1.34 0.00 0.00 175.22 174.79 1w1a s LYS 34 N -2.90 4.43 1.00 1.99 1.02 -1.26 -4.96 119.74 119.06 1w1a s LYS 34 Ca 0.07 1.89 -0.13 0.00 0.02 0.00 0.00 55.97 57.82 1w1a s LYS 34 Cb -0.01 -3.27 0.11 0.00 -0.52 0.00 0.00 37.83 34.14 1w1a s LYS 34 CO -0.07 -0.22 0.60 0.54 -0.92 0.00 0.00 175.35 175.28 1w1a n ARG 35 N 3.25 -0.85 -2.27 1.68 1.74 -1.26 -4.51 116.66 114.44 1w1a n ARG 35 Ca 0.07 -0.20 -0.38 0.00 -0.77 0.00 0.00 57.85 56.57 1w1a n ARG 35 Cb 0.45 -2.00 -0.02 0.00 -1.02 0.00 0.00 32.46 29.87 1w1a n ARG 35 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1w1a s SER 36 N -2.19 6.48 0.02 0.55 0.15 -1.26 -4.84 113.70 112.61 1w1a s SER 36 Ca 0.61 2.37 0.04 0.00 0.70 0.00 0.00 55.95 59.66 1w1a s SER 36 Cb -0.20 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.47 1w1a s SER 36 CO 0.65 -0.70 -0.11 -0.69 1.20 0.00 0.00 173.24 173.58 1w1a s VAL 37 N -1.41 0.89 -1.60 4.45 1.01 -1.25 -4.75 120.40 117.74 1w1a s VAL 37 Ca 0.57 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1w1a s VAL 37 Cb -0.31 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1w1a s VAL 37 CO 0.39 0.02 0.00 0.59 0.00 0.00 0.00 175.10 176.10 1w1a n ASN 38 N 2.18 -4.63 -1.57 3.32 3.02 -1.26 -0.70 115.26 115.63 1w1a n ASN 38 Ca -0.17 0.26 -0.15 0.00 -0.03 0.00 0.00 54.58 54.49 1w1a n ASN 38 Cb 0.55 -4.04 -0.02 0.00 -0.61 0.00 0.00 39.78 35.66 1w1a n ASN 38 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1w1a n HIS 39 N -2.85 -0.52 -3.95 3.10 8.25 -1.26 -5.00 115.22 112.99 1w1a n HIS 39 Ca -0.18 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.96 1w1a n HIS 39 Cb 0.59 -3.02 -0.05 0.00 1.12 0.00 0.00 29.99 28.63 1w1a n HIS 39 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1w1a s GLN 40 N -4.35 3.33 0.52 -0.41 -1.52 0.13 -4.37 119.66 112.99 1w1a s GLN 40 Ca 0.00 -0.43 -0.22 0.00 -1.95 0.00 0.00 55.36 52.76 1w1a s GLN 40 Cb 0.00 -3.00 -0.06 0.00 -0.22 0.00 0.00 33.01 29.73 1w1a s GLN 40 CO 0.00 0.63 1.36 -2.14 -0.25 0.00 0.00 175.29 174.89 1w1a s PRO 41 N -2.19 3.28 0.85 2.91 0.02 -1.26 -3.78 135.00 134.83 1w1a s PRO 41 Ca 0.30 2.23 -0.11 0.00 0.02 0.00 0.00 61.00 63.44 1w1a s PRO 41 Cb -0.13 -2.34 0.14 0.00 0.02 0.00 0.00 34.50 32.19 1w1a s PRO 41 CO 0.22 -1.08 1.19 -1.25 -0.33 0.00 0.00 177.00 175.76 1w1a s PRO 42 N -2.81 1.35 -0.04 5.54 0.04 -1.26 -4.86 135.00 132.96 1w1a s PRO 42 Ca 0.69 -0.35 -0.02 0.00 0.04 0.00 0.00 61.00 61.36 1w1a s PRO 42 Cb -0.40 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.18 1w1a s PRO 42 CO 0.48 -1.90 0.08 0.34 0.04 0.00 0.00 177.00 176.04 1w1a s ASP 43 N -4.73 0.53 0.00 6.66 -1.08 -1.26 -5.02 116.67 111.77 1w1a s ASP 43 Ca 0.68 0.14 0.22 0.00 -0.52 0.00 0.00 52.55 53.07 1w1a s ASP 43 Cb -0.07 -0.00 1.15 0.00 -1.46 0.00 0.00 42.92 42.54 1w1a s ASP 43 CO 0.49 -0.19 1.72 0.00 0.52 0.00 0.00 175.17 177.71 1w1a n ALA 44 N 4.77 2.17 0.00 3.66 0.00 -1.26 -4.54 120.51 125.31 1w1a n ALA 44 Ca -0.15 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1w1a n ALA 44 Cb 0.50 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1w1a n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w1a n GLY 45 N 0.56 0.87 0.31 0.00 0.00 -1.26 -4.32 105.19 101.35 1w1a n GLY 45 Ca 0.11 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 1w1a n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w1a h LYS 46 N 0.00 1.06 -0.35 1.61 1.57 -1.98 -1.02 116.57 117.45 1w1a h LYS 46 Ca 0.00 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1w1a h LYS 46 Cb 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1w1a h LYS 46 CO 0.00 0.84 0.06 -0.56 -0.57 0.00 0.00 179.45 179.22 1w1a h GLN 47 N 1.03 0.58 -0.09 3.15 -0.00 -1.99 0.36 115.11 118.15 1w1a h GLN 47 Ca 0.25 -0.15 -0.04 0.00 -0.00 0.00 0.00 58.65 58.71 1w1a h GLN 47 Cb 0.13 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.48 27.54 1w1a h GLN 47 CO -0.03 0.65 -0.09 -0.07 -0.00 0.00 0.00 178.83 179.29 1w1a h LEU 48 N 0.42 0.23 -0.07 0.06 -0.00 -1.74 -1.64 115.31 112.57 1w1a h LEU 48 Ca 0.11 -0.49 0.04 0.00 -0.00 0.00 0.00 57.88 57.54 1w1a h LEU 48 Cb 0.35 -0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 40.89 1w1a h LEU 48 CO 0.01 0.68 -0.27 0.78 -0.00 0.00 0.00 178.44 179.63 1w1a h ASN 49 N -0.21 -0.83 -0.41 -0.43 -0.26 -1.14 1.22 115.58 113.52 1w1a h ASN 49 Ca 0.01 0.12 0.04 0.00 -0.56 0.00 0.00 56.30 55.91 1w1a h ASN 49 Cb 0.61 0.35 -0.04 0.00 -1.06 0.00 0.00 38.32 38.19 1w1a h ASN 49 CO 0.02 -0.33 0.20 0.28 -1.06 0.00 0.00 177.43 176.54 1w1a h SER 50 N -0.38 0.28 -0.34 5.81 0.02 -0.95 0.25 113.55 118.24 1w1a h SER 50 Ca 0.08 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1w1a h SER 50 Cb 0.50 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1w1a h SER 50 CO -0.28 0.20 0.00 0.25 -1.14 0.00 0.00 176.83 175.86 1w1a h LEU 51 N 0.40 0.59 0.16 5.07 5.85 -0.71 -1.38 115.31 125.29 1w1a h LEU 51 Ca 0.18 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1w1a h LEU 51 Cb 0.10 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1w1a h LEU 51 CO -0.13 0.75 -0.15 -0.29 -0.34 0.00 0.00 178.44 178.28 1w1a h ILE 52 N 0.41 0.68 -0.91 4.05 2.10 0.19 -2.57 117.51 121.45 1w1a h ILE 52 Ca 0.10 0.00 0.05 0.00 1.08 0.00 0.00 64.86 66.08 1w1a h ILE 52 Cb 0.45 0.68 -0.06 0.00 -1.09 0.00 0.00 36.82 36.80 1w1a h ILE 52 CO 0.02 0.00 0.60 -0.08 -1.08 0.00 0.00 178.15 177.61 1w1a h GLU 53 N -0.32 1.08 -0.56 2.19 4.81 -0.49 -1.65 114.58 119.63 1w1a h GLU 53 Ca 0.00 -0.06 0.16 0.00 -0.13 0.00 0.00 59.36 59.33 1w1a h GLU 53 Cb 0.30 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1w1a h GLU 53 CO -0.03 0.71 0.41 -0.22 -0.73 0.00 0.00 179.01 179.15 1w1a h LYS 54 N 1.11 0.00 -0.13 1.92 3.64 -0.82 -1.74 116.57 120.54 1w1a h LYS 54 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1w1a h LYS 54 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1w1a h LYS 54 CO -0.13 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.71 1w1a n TYR 55 N -4.33 0.42 -2.01 1.91 4.02 -0.90 -4.98 117.16 111.28 1w1a n TYR 55 Ca 0.10 -0.86 -0.18 0.00 -0.01 0.00 0.00 57.90 56.95 1w1a n TYR 55 Cb 0.64 -0.20 -0.04 0.00 -0.02 0.00 0.00 39.34 39.72 1w1a n TYR 55 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1w1a n ASP 56 N -0.81 -5.24 -4.91 7.72 10.43 -0.65 -4.86 116.55 118.23 1w1a n ASP 56 Ca 0.16 0.18 -0.28 0.00 2.57 0.00 0.00 54.79 57.42 1w1a n ASP 56 Cb 0.69 -4.32 -0.03 0.00 1.84 0.00 0.00 41.12 39.29 1w1a n ASP 56 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1w1a s ALA 57 N -2.81 3.70 0.18 2.24 0.00 -0.67 -4.69 121.76 119.72 1w1a s ALA 57 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 1w1a s ALA 57 Cb 0.00 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 1w1a s ALA 57 CO 0.00 0.31 0.31 -0.59 0.00 0.00 0.00 175.76 175.79 1w1a s PHE 58 N -2.01 0.44 0.00 0.00 -0.71 -1.16 -4.12 117.98 110.42 1w1a s PHE 58 Ca 0.42 -0.79 0.00 0.00 -1.04 0.00 0.00 56.93 55.52 1w1a s PHE 58 Cb -0.11 -0.04 0.00 0.00 -1.21 0.00 0.00 43.02 41.66 1w1a s PHE 58 CO 0.30 -0.77 0.23 2.48 -1.34 0.00 0.00 175.22 176.12 1w1a n TYR 59 N -0.25 0.00 -4.07 3.49 4.11 -1.26 -1.46 117.16 117.72 1w1a n TYR 59 Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.73 1w1a n TYR 59 Cb 0.63 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.86 1w1a n TYR 59 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1w1a s LEU 60 N -0.22 2.31 0.00 -3.48 1.43 -1.26 -3.19 118.68 114.26 1w1a s LEU 60 Ca 0.00 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1w1a s LEU 60 Cb 0.00 -0.10 0.00 0.00 0.03 0.00 0.00 46.19 46.12 1w1a s LEU 60 CO 0.00 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1w1a n GLY 61 N 1.17 1.73 3.59 -3.19 0.00 0.66 -4.99 105.19 104.16 1w1a n GLY 61 Ca -0.21 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 1w1a n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1w1a s ASN 62 N -1.00 6.61 0.00 1.61 2.47 -1.26 -4.78 114.94 118.58 1w1a s ASN 62 Ca 0.00 0.40 0.29 0.00 0.42 0.00 0.00 52.86 53.97 1w1a s ASN 62 Cb 0.00 -2.53 1.64 0.00 -1.45 0.00 0.00 41.25 38.90 1w1a s ASN 62 CO 0.00 -1.23 2.06 0.35 -3.72 0.00 0.00 177.10 174.56 1w1a n THR 63 N 6.79 0.01 0.76 -5.21 -2.24 -1.26 -2.86 114.28 110.27 1w1a n THR 63 Ca 0.11 -0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.95 1w1a n THR 63 Cb 0.49 -0.34 0.26 0.00 -2.10 0.00 0.00 70.33 68.63 1w1a n THR 63 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1w1a n LYS 64 N -0.82 1.99 -3.80 -0.78 4.76 -1.26 -4.72 118.16 113.53 1w1a n LYS 64 Ca 0.21 -1.52 -0.12 0.00 -2.87 0.00 0.00 58.31 54.01 1w1a n LYS 64 Cb 0.13 -1.38 -0.09 0.00 -1.84 0.00 0.00 35.03 31.84 1w1a n LYS 64 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1w1a s GLU 65 N -1.54 0.56 -0.95 1.97 -1.05 -1.20 -5.05 118.70 111.44 1w1a s GLU 65 Ca 0.32 -0.20 -0.22 0.00 -0.15 0.00 0.00 54.97 54.72 1w1a s GLU 65 Cb 0.17 0.25 -0.12 0.00 -0.44 0.00 0.00 34.13 33.99 1w1a s GLU 65 CO 0.24 -0.14 1.93 1.63 0.95 0.00 0.00 175.26 179.87 1w1a n LYS 66 N 1.53 1.65 -4.84 -4.83 5.02 -1.26 -3.34 118.16 112.10 1w1a n LYS 66 Ca -0.21 -2.13 -0.25 0.00 -2.02 0.00 0.00 58.31 53.70 1w1a n LYS 66 Cb 0.56 -3.21 -0.15 0.00 -0.02 0.00 0.00 35.03 32.21 1w1a n LYS 66 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1w1a s THR 67 N 6.78 1.43 0.03 -0.18 2.01 -1.26 -1.01 115.64 123.45 1w1a s THR 67 Ca 0.60 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.84 1w1a s THR 67 Cb 0.09 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 1w1a s THR 67 CO 0.12 0.37 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.64 1w1a s ILE 68 N -0.47 1.23 -0.20 1.82 1.01 -0.42 -0.21 121.20 123.95 1w1a s ILE 68 Ca 0.07 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1w1a s ILE 68 Cb -0.07 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.34 1w1a s ILE 68 CO -0.00 0.12 -0.16 -0.31 0.00 0.00 0.00 174.94 174.59 1w1a s TYR 69 N -0.73 2.90 -0.12 3.97 2.02 -0.21 -0.72 117.35 124.47 1w1a s TYR 69 Ca 0.04 -1.67 -0.22 0.00 -0.37 0.00 0.00 57.07 54.85 1w1a s TYR 69 Cb -0.08 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 1w1a s TYR 69 CO 0.01 -0.79 0.63 -0.51 -1.57 0.00 0.00 175.55 173.33 1w1a s LEU 70 N 1.28 4.25 0.07 -1.29 1.43 -1.25 -1.33 118.68 121.85 1w1a s LEU 70 Ca 0.02 1.00 0.04 0.00 -1.03 0.00 0.00 54.13 54.17 1w1a s LEU 70 Cb -0.15 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 1w1a s LEU 70 CO -0.10 -0.14 -0.12 0.42 0.23 0.00 0.00 176.35 176.63 1w1a s THR 71 N 1.12 0.98 0.09 5.49 -4.23 -0.71 -1.98 115.64 116.40 1w1a s THR 71 Ca 0.32 -1.31 0.04 0.00 -1.18 0.00 0.00 61.69 59.57 1w1a s THR 71 Cb -0.17 -1.02 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 1w1a s THR 71 CO 0.14 -0.30 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.44 1w1a s PHE 72 N -1.46 1.14 -0.14 3.99 0.40 0.66 -1.38 117.98 121.18 1w1a s PHE 72 Ca -0.03 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 55.72 1w1a s PHE 72 Cb -0.09 -0.62 -0.01 0.00 0.51 0.00 0.00 43.02 42.81 1w1a s PHE 72 CO 0.02 0.04 -0.15 -0.51 0.70 0.00 0.00 175.22 175.31 1w1a s ASP 73 N -2.26 3.74 -0.28 1.36 1.01 -0.89 0.29 116.67 119.64 1w1a s ASP 73 Ca 0.04 -0.42 0.01 0.00 0.71 0.00 0.00 52.55 52.89 1w1a s ASP 73 Cb -0.05 -1.56 0.08 0.00 1.01 0.00 0.00 42.92 42.39 1w1a s ASP 73 CO 0.01 0.13 0.00 0.20 0.21 0.00 0.00 175.17 175.72 1w1a s ASN 74 N 0.54 4.15 -0.18 0.27 0.01 0.74 -4.57 114.94 115.90 1w1a s ASN 74 Ca -0.10 -1.53 0.11 0.00 -0.71 0.00 0.00 52.86 50.64 1w1a s ASN 74 Cb -0.16 -1.25 -0.23 0.00 0.41 0.00 0.00 41.25 40.03 1w1a s ASN 74 CO 0.04 -0.31 0.11 0.61 -1.51 0.00 0.00 177.10 176.04 1w1a n GLY 75 N 4.59 -0.80 3.77 0.66 0.00 -1.26 -2.61 105.19 109.55 1w1a n GLY 75 Ca -0.06 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 1w1a n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1w1a s TYR 76 N -2.52 -0.13 -0.15 1.61 1.13 -1.26 -3.65 117.35 112.38 1w1a s TYR 76 Ca -0.17 -0.30 -0.05 0.00 -1.41 0.00 0.00 57.07 55.15 1w1a s TYR 76 Cb 0.07 0.61 -0.03 0.00 -1.10 0.00 0.00 41.96 41.51 1w1a s TYR 76 CO 0.76 -1.16 0.00 -2.00 -2.51 0.00 0.00 175.55 170.64 1w1a s GLU 77 N -3.92 3.65 -0.10 -3.49 2.56 -1.26 -4.90 118.70 111.23 1w1a s GLU 77 Ca 0.12 -0.44 0.15 0.00 0.00 0.00 0.00 54.97 54.80 1w1a s GLU 77 Cb -0.05 -2.99 0.23 0.00 2.00 0.00 0.00 34.13 33.33 1w1a s GLU 77 CO 0.05 0.34 1.12 -1.71 -0.56 0.00 0.00 175.26 174.50 1w1a n ASN 78 N 3.27 2.27 0.00 -1.70 4.05 -1.26 -5.01 115.26 116.87 1w1a n ASN 78 Ca -0.17 -2.87 0.00 0.00 0.45 0.00 0.00 54.58 51.99 1w1a n ASN 78 Cb 0.53 -0.34 0.00 0.00 1.23 0.00 0.00 39.78 41.19 1w1a n ASN 78 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1w1a n GLY 79 N -1.25 0.83 0.00 8.20 0.00 -1.26 -4.98 105.19 106.73 1w1a n GLY 79 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1w1a n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1w1a n TYR 80 N -2.33 0.00 -0.14 1.61 4.01 -1.26 -4.74 117.16 114.32 1w1a n TYR 80 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1w1a n TYR 80 Cb 0.00 0.00 0.35 0.00 -0.31 0.00 0.00 39.34 39.38 1w1a n TYR 80 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1w1a h THR 81 N 0.01 1.08 -0.55 -0.72 2.02 -1.94 -0.13 112.91 112.67 1w1a h THR 81 Ca 0.00 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1w1a h THR 81 Cb 0.00 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1w1a h THR 81 CO 0.00 0.14 0.23 -0.65 0.37 0.00 0.00 175.52 175.61 1w1a h PRO 82 N 0.76 0.82 -0.79 6.66 0.11 -1.96 0.20 132.00 137.79 1w1a h PRO 82 Ca 0.26 -0.14 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 1w1a h PRO 82 Cb 0.10 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.04 1w1a h PRO 82 CO -0.07 0.70 0.39 0.87 -0.21 0.00 0.00 178.00 179.67 1w1a h LYS 83 N 0.75 1.14 -0.72 1.05 1.57 -1.66 0.90 116.57 119.60 1w1a h LYS 83 Ca 0.19 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1w1a h LYS 83 Cb 0.18 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 1w1a h LYS 83 CO -0.02 0.88 0.45 0.28 -0.57 0.00 0.00 179.45 180.47 1w1a h VAL 84 N 1.12 1.10 -0.58 0.50 2.07 -0.25 0.06 116.25 120.26 1w1a h VAL 84 Ca 0.27 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1w1a h VAL 84 Cb 0.11 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1w1a h VAL 84 CO -0.04 0.16 0.04 -0.07 0.02 0.00 0.00 177.57 177.68 1w1a h LEU 85 N 0.88 0.95 -0.78 2.57 3.38 0.06 -1.57 115.31 120.80 1w1a h LEU 85 Ca 0.29 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1w1a h LEU 85 Cb 0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1w1a h LEU 85 CO -0.11 0.99 0.14 0.44 0.09 0.00 0.00 178.44 179.99 1w1a h ASP 86 N 0.91 1.01 -0.15 -0.43 3.32 0.01 -1.38 116.42 119.71 1w1a h ASP 86 Ca 0.17 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1w1a h ASP 86 Cb 0.48 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1w1a h ASP 86 CO 0.02 0.98 0.07 0.58 -1.72 0.00 0.00 179.24 179.17 1w1a h VAL 87 N 1.01 1.14 -0.90 -1.35 2.07 -0.73 -0.61 116.25 116.89 1w1a h VAL 87 Ca 0.21 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1w1a h VAL 87 Cb 0.38 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1w1a h VAL 87 CO 0.01 0.13 0.58 -0.07 0.02 0.00 0.00 177.57 178.24 1w1a h LEU 88 N 0.11 0.96 -0.34 2.57 3.38 -1.07 -1.83 115.31 119.07 1w1a h LEU 88 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1w1a h LEU 88 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1w1a h LEU 88 CO -0.01 0.65 0.15 0.50 0.09 0.00 0.00 178.44 179.83 1w1a h LYS 89 N 1.12 0.50 -0.27 1.13 3.64 -1.04 0.15 116.57 121.80 1w1a h LYS 89 Ca 0.36 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.72 1w1a h LYS 89 Cb 0.02 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 1w1a h LYS 89 CO -0.12 0.47 -0.17 -0.22 -2.27 0.00 0.00 179.45 177.13 1w1a h LYS 90 N 0.41 -0.15 -0.01 1.90 3.64 -0.32 -0.80 116.57 121.25 1w1a h LYS 90 Ca 0.12 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1w1a h LYS 90 Cb 0.14 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1w1a h LYS 90 CO -0.01 -0.10 0.00 0.72 -2.27 0.00 0.00 179.45 177.79 1w1a n HIS 91 N -5.34 0.01 -3.87 1.91 8.25 -0.81 -4.92 115.22 110.44 1w1a n HIS 91 Ca -0.00 -0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 1w1a n HIS 91 Cb 0.25 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.38 1w1a n HIS 91 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1w1a n ARG 92 N -0.63 -4.91 -4.28 -0.41 0.63 0.34 -4.97 116.66 102.44 1w1a n ARG 92 Ca 0.22 0.57 -0.34 0.00 -0.92 0.00 0.00 57.85 57.37 1w1a n ARG 92 Cb 0.18 -5.25 -0.09 0.00 0.45 0.00 0.00 32.46 27.75 1w1a n ARG 92 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1w1a s VAL 93 N -3.49 4.45 -0.32 5.15 1.01 -0.11 -5.02 120.40 122.06 1w1a s VAL 93 Ca 0.38 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1w1a s VAL 93 Cb -0.19 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1w1a s VAL 93 CO 0.84 0.53 0.28 -0.89 0.00 0.00 0.00 175.10 175.86 1w1a s THR 94 N -0.97 5.25 0.41 3.92 2.01 -1.26 -4.61 115.64 120.39 1w1a s THR 94 Ca 0.16 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 1w1a s THR 94 Cb -0.11 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1w1a s THR 94 CO 0.05 0.03 0.65 -0.83 -0.69 0.00 0.00 174.62 173.84 1w1a s GLY 95 N 1.73 1.43 -0.24 4.40 0.00 -1.26 -4.31 107.32 109.07 1w1a s GLY 95 Ca 0.09 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 44.02 1w1a s GLY 95 CO 0.11 -0.68 -0.06 -1.59 0.00 0.00 0.00 173.10 170.88 1w1a s THR 96 N -2.51 1.61 -0.28 0.90 2.01 -0.84 -0.81 115.64 115.71 1w1a s THR 96 Ca 0.44 -1.26 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 1w1a s THR 96 Cb -0.10 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1w1a s THR 96 CO 0.39 -0.08 0.16 -0.36 -0.69 0.00 0.00 174.62 174.05 1w1a s PHE 97 N 1.36 3.18 -0.50 4.92 0.40 0.77 -0.25 117.98 127.87 1w1a s PHE 97 Ca -0.06 -0.14 -0.21 0.00 -0.60 0.00 0.00 56.93 55.93 1w1a s PHE 97 Cb -0.19 -2.35 0.04 0.00 0.51 0.00 0.00 43.02 41.03 1w1a s PHE 97 CO -0.06 -0.27 0.71 -0.06 0.70 0.00 0.00 175.22 176.24 1w1a s PHE 98 N 1.70 2.99 0.16 0.36 0.08 0.15 0.66 117.98 124.08 1w1a s PHE 98 Ca 0.06 -0.26 0.04 0.00 0.12 0.00 0.00 56.93 56.89 1w1a s PHE 98 Cb -0.16 -3.62 -0.04 0.00 -0.57 0.00 0.00 43.02 38.63 1w1a s PHE 98 CO 0.09 -1.07 0.23 0.14 -0.10 0.00 0.00 175.22 174.51 1w1a s VAL 99 N 3.02 4.99 0.48 -0.44 -7.23 -1.05 -0.18 120.40 119.99 1w1a s VAL 99 Ca 0.21 -0.85 0.08 0.00 -1.81 0.00 0.00 61.98 59.61 1w1a s VAL 99 Cb -0.16 -3.57 0.03 0.00 0.56 0.00 0.00 36.38 33.24 1w1a s VAL 99 CO 0.16 -0.10 0.55 0.42 -0.31 0.00 0.00 175.10 175.81 1w1a s THR 100 N -1.75 2.46 0.13 5.32 -4.23 -1.07 -0.84 115.64 115.66 1w1a s THR 100 Ca 0.33 -1.18 -0.17 0.00 -1.18 0.00 0.00 61.69 59.50 1w1a s THR 100 Cb -0.11 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 1w1a s THR 100 CO 0.26 0.00 1.69 1.23 -0.54 0.00 0.00 174.62 177.26 1w1a h GLY 101 N 0.65 0.57 1.00 3.99 0.00 -0.39 -2.34 103.07 106.55 1w1a h GLY 101 Ca -0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1w1a h GLY 101 CO 0.49 0.28 0.39 0.84 0.00 0.00 0.00 176.54 178.54 1w1a h HIS 102 N 0.44 0.88 -0.23 5.60 -0.00 -1.86 -1.36 115.15 118.62 1w1a h HIS 102 Ca 0.12 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.51 1w1a h HIS 102 Cb 0.15 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 1w1a h HIS 102 CO -0.01 0.60 0.09 0.35 -0.00 0.00 0.00 177.93 178.96 1w1a h PHE 103 N 0.89 0.16 -0.09 5.26 3.57 -1.58 0.28 116.94 125.42 1w1a h PHE 103 Ca 0.23 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1w1a h PHE 103 Cb -0.01 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 1w1a h PHE 103 CO -0.01 0.08 0.06 0.28 -2.23 0.00 0.00 178.31 176.48 1w1a h VAL 104 N 0.20 1.04 -0.41 1.41 2.07 -1.24 0.20 116.25 119.52 1w1a h VAL 104 Ca 0.10 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1w1a h VAL 104 Cb 0.06 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1w1a h VAL 104 CO -0.09 0.04 0.02 0.11 0.02 0.00 0.00 177.57 177.67 1w1a h LYS 105 N 0.11 0.64 0.01 1.57 1.57 -1.00 -2.70 116.57 116.77 1w1a h LYS 105 Ca 0.03 -0.14 -0.23 0.00 -1.87 0.00 0.00 60.65 58.44 1w1a h LYS 105 Cb 0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1w1a h LYS 105 CO -0.01 0.65 -1.18 0.22 -0.57 0.00 0.00 179.45 178.56 1w1a h ASP 106 N 0.61 0.03 -1.39 0.86 1.82 -0.20 -3.39 116.42 114.76 1w1a h ASP 106 Ca 0.13 -0.04 -0.54 0.00 -0.39 0.00 0.00 57.03 56.19 1w1a h ASP 106 Cb 0.35 -0.01 -0.42 0.00 0.68 0.00 0.00 39.33 39.93 1w1a h ASP 106 CO 0.01 1.03 -0.82 0.00 -1.61 0.00 0.00 179.24 177.84 1w1a n GLN 107 N -3.29 2.99 -0.33 0.28 1.13 0.68 -4.92 117.38 113.91 1w1a n GLN 107 Ca -0.05 -4.25 0.20 0.00 -1.94 0.00 0.00 57.00 50.96 1w1a n GLN 107 Cb 0.97 -2.05 0.41 0.00 0.11 0.00 0.00 30.24 29.68 1w1a n GLN 107 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1w1a h PRO 108 N 2.65 0.37 -0.24 -1.09 0.13 -1.69 -0.41 132.00 131.73 1w1a h PRO 108 Ca 0.22 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.21 1w1a h PRO 108 Cb 0.99 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1w1a h PRO 108 CO 0.78 0.25 -0.37 1.96 -0.23 0.00 0.00 178.00 180.39 1w1a h GLN 109 N 0.38 0.54 -0.46 0.86 4.20 -1.91 -1.42 115.11 117.31 1w1a h GLN 109 Ca 0.67 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 59.02 1w1a h GLN 109 Cb 1.41 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.17 1w1a h GLN 109 CO -0.57 0.83 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.23 1w1a h LEU 110 N 0.45 0.85 -1.06 1.46 3.38 -1.52 0.53 115.31 119.41 1w1a h LEU 110 Ca 0.05 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1w1a h LEU 110 Cb 0.85 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1w1a h LEU 110 CO 0.07 0.99 0.11 0.40 0.09 0.00 0.00 178.44 180.09 1w1a h ILE 111 N 0.77 1.22 -0.39 1.22 1.08 -1.06 -0.80 117.51 119.55 1w1a h ILE 111 Ca 0.12 -0.81 -0.16 0.00 -0.39 0.00 0.00 64.86 63.63 1w1a h ILE 111 Cb 0.64 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 1w1a h ILE 111 CO 0.04 0.30 -0.38 0.50 -0.69 0.00 0.00 178.15 177.93 1w1a h LYS 112 N 0.75 0.93 -0.30 2.37 1.63 -0.70 -2.40 116.57 118.85 1w1a h LYS 112 Ca 0.16 -0.48 -0.05 0.00 -0.85 0.00 0.00 60.65 59.43 1w1a h LYS 112 Cb 0.30 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1w1a h LYS 112 CO 0.00 1.14 0.01 0.00 -3.45 0.00 0.00 179.45 177.15 1w1a h ARG 113 N 0.76 0.53 -0.60 1.90 3.08 -0.47 0.36 114.38 119.94 1w1a h ARG 113 Ca 0.06 -0.17 0.12 0.00 0.07 0.00 0.00 59.98 60.07 1w1a h ARG 113 Cb 0.97 -0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.87 1w1a h ARG 113 CO 0.09 0.67 0.05 0.52 -1.07 0.00 0.00 179.97 180.23 1w1a h MET 114 N 0.33 0.16 0.54 0.04 2.86 -1.11 0.40 114.93 118.16 1w1a h MET 114 Ca 0.09 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1w1a h MET 114 Cb 0.42 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.05 1w1a h MET 114 CO 0.01 0.11 -0.26 1.03 1.06 0.00 0.00 176.91 178.86 1w1a h SER 115 N 0.17 -0.61 -0.25 1.22 0.87 -1.17 0.21 113.55 113.99 1w1a h SER 115 Ca 0.31 -0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.89 1w1a h SER 115 Cb 0.50 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1w1a h SER 115 CO -0.47 -0.28 0.19 0.44 -0.53 0.00 0.00 176.83 176.18 1w1a h ASP 116 N -0.97 0.00 -0.58 6.23 3.32 0.12 -2.64 116.42 121.90 1w1a h ASP 116 Ca -0.07 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 1w1a h ASP 116 Cb 0.63 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.10 1w1a h ASP 116 CO 0.12 0.00 0.16 -0.62 -1.72 0.00 0.00 179.24 177.18 1w1a n GLU 117 N -4.36 3.63 -0.99 3.56 1.02 0.14 -4.92 120.64 118.72 1w1a n GLU 117 Ca 0.03 -2.60 0.00 0.00 -0.02 0.00 0.00 57.16 54.57 1w1a n GLU 117 Cb 0.34 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1w1a n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1w1a n GLY 118 N 0.12 0.51 3.91 0.62 0.00 -0.99 -5.02 105.19 104.34 1w1a n GLY 118 Ca 0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 1w1a n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1w1a s HIS 119 N -2.12 3.36 -0.14 1.61 3.76 0.06 -4.84 115.29 116.98 1w1a s HIS 119 Ca 0.00 0.71 -0.07 0.00 -0.15 0.00 0.00 55.06 55.55 1w1a s HIS 119 Cb 0.00 -2.59 -0.04 0.00 1.11 0.00 0.00 32.58 31.06 1w1a s HIS 119 CO 0.00 -0.63 0.10 0.42 -0.85 0.00 0.00 174.74 173.78 1w1a s ILE 120 N -2.91 5.15 -0.37 0.60 1.01 0.01 -4.51 121.20 120.19 1w1a s ILE 120 Ca 0.52 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 61.15 1w1a s ILE 120 Cb -0.10 -3.26 0.04 0.00 0.01 0.00 0.00 42.46 39.14 1w1a s ILE 120 CO 0.45 0.56 0.19 -0.63 0.00 0.00 0.00 174.94 175.50 1w1a s ILE 121 N -0.50 4.34 0.72 2.92 1.01 -1.26 -0.16 121.20 128.27 1w1a s ILE 121 Ca 0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 1w1a s ILE 121 Cb -0.12 -3.45 0.10 0.00 0.01 0.00 0.00 42.46 39.00 1w1a s ILE 121 CO 0.02 -0.25 1.01 -0.83 0.00 0.00 0.00 174.94 174.89 1w1a s GLY 122 N 1.56 1.75 -0.20 6.18 0.00 0.21 -4.75 107.32 112.08 1w1a s GLY 122 Ca 0.01 -1.35 -0.06 0.00 0.00 0.00 0.00 44.72 43.32 1w1a s GLY 122 CO 0.05 -0.85 0.03 0.21 0.00 0.00 0.00 173.10 172.55 1w1a s ASN 123 N -4.65 5.15 -0.15 1.64 3.84 0.81 -2.53 114.94 119.06 1w1a s ASN 123 Ca 0.64 -0.10 0.15 0.00 0.21 0.00 0.00 52.86 53.77 1w1a s ASN 123 Cb -0.07 -1.89 0.33 0.00 -0.55 0.00 0.00 41.25 39.07 1w1a s ASN 123 CO 0.45 0.09 1.17 1.57 -2.79 0.00 0.00 177.10 177.59 1w1a n HIS 124 N 4.05 0.00 -0.76 0.43 -0.00 -0.02 -1.29 115.22 117.64 1w1a n HIS 124 Ca -0.17 -1.13 0.05 0.00 -0.00 0.00 0.00 57.72 56.48 1w1a n HIS 124 Cb 0.52 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.99 30.30 1w1a n HIS 124 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1w1a n SER 125 N -1.21 -4.10 -0.02 0.26 3.41 -1.25 -4.27 113.62 106.44 1w1a n SER 125 Ca 0.16 0.83 -0.13 0.00 -0.26 0.00 0.00 58.87 59.47 1w1a n SER 125 Cb 0.68 -2.34 -0.09 0.00 -0.26 0.00 0.00 64.21 62.19 1w1a n SER 125 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1w1a h PHE 126 N -0.39 0.08 -0.24 7.33 3.04 -1.52 -2.83 116.94 122.41 1w1a h PHE 126 Ca -0.06 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.86 1w1a h PHE 126 Cb 0.62 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1w1a h PHE 126 CO 0.03 0.54 0.00 0.72 -2.02 0.00 0.00 178.31 177.58 1w1a n HIS 127 N -4.80 0.30 -3.70 0.41 8.25 -1.26 -0.30 115.22 114.12 1w1a n HIS 127 Ca -0.08 -0.17 -0.25 0.00 -0.26 0.00 0.00 57.72 56.96 1w1a n HIS 127 Cb 0.27 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.43 1w1a n HIS 127 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1w1a n HIS 128 N 1.25 -2.41 -2.19 4.41 -0.00 -1.25 -4.99 115.22 110.03 1w1a n HIS 128 Ca 0.15 0.94 -0.28 0.00 0.46 0.00 0.00 57.72 59.00 1w1a n HIS 128 Cb 0.54 -4.58 0.18 0.00 -0.12 0.00 0.00 29.99 26.00 1w1a n HIS 128 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1w1a s PRO 129 N -6.21 0.79 -0.73 1.57 0.04 -1.26 -4.79 135.00 124.41 1w1a s PRO 129 Ca 0.42 -0.79 -0.21 0.00 0.04 0.00 0.00 61.00 60.45 1w1a s PRO 129 Cb -0.20 -2.01 0.09 0.00 0.04 0.00 0.00 34.50 32.42 1w1a s PRO 129 CO 0.78 -2.21 0.99 0.34 0.04 0.00 0.00 177.00 176.94 1w1a s ASP 130 N -4.90 6.29 0.56 6.66 -1.08 -1.26 -4.40 116.67 118.53 1w1a s ASP 130 Ca 0.73 -1.30 0.30 0.00 -0.52 0.00 0.00 52.55 51.76 1w1a s ASP 130 Cb -0.03 -2.41 1.46 0.00 -1.46 0.00 0.00 42.92 40.49 1w1a s ASP 130 CO 0.51 -1.32 1.90 -0.07 0.52 0.00 0.00 175.17 176.70 1w1a h LEU 131 N 11.03 0.00 -0.38 -1.34 3.38 -1.85 0.10 115.31 126.26 1w1a h LEU 131 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1w1a h LEU 131 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1w1a h LEU 131 CO 1.16 0.00 0.00 0.35 0.09 0.00 0.00 178.44 180.04 1w1a n THR 132 N -4.05 1.11 0.22 0.22 -2.24 -1.26 -0.58 114.28 107.70 1w1a n THR 132 Ca 0.13 0.34 0.11 0.00 -2.27 0.00 0.00 64.05 62.37 1w1a n THR 132 Cb 0.80 -1.21 0.26 0.00 -2.10 0.00 0.00 70.33 68.08 1w1a n THR 132 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1w1a n THR 133 N -1.81 0.62 -4.25 4.28 -2.24 0.35 -4.96 114.28 106.26 1w1a n THR 133 Ca 0.02 -0.77 -0.26 0.00 -2.27 0.00 0.00 64.05 60.77 1w1a n THR 133 Cb 0.15 0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 69.05 1w1a n THR 133 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1w1a s LYS 134 N -1.38 2.27 0.34 -0.78 -0.14 0.25 -5.07 119.74 115.24 1w1a s LYS 134 Ca 0.41 -1.23 -0.02 0.00 -1.36 0.00 0.00 55.97 53.76 1w1a s LYS 134 Cb 0.23 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 34.09 1w1a s LYS 134 CO 0.31 0.43 0.58 0.95 -0.76 0.00 0.00 175.35 176.85 1w1a s THR 135 N -1.87 5.06 0.34 2.17 -4.23 -1.26 -4.82 115.64 111.03 1w1a s THR 135 Ca 0.28 -0.21 0.11 0.00 -1.18 0.00 0.00 61.69 60.69 1w1a s THR 135 Cb -0.08 -3.82 0.33 0.00 1.34 0.00 0.00 72.50 70.27 1w1a s THR 135 CO 0.18 -0.51 1.78 0.00 -0.54 0.00 0.00 174.62 175.52 1w1a h ALA 136 N 1.01 1.90 -0.66 3.99 0.00 -1.98 0.87 119.26 124.39 1w1a h ALA 136 Ca -0.49 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1w1a h ALA 136 Cb 1.21 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1w1a h ALA 136 CO 0.63 -0.29 0.36 0.22 0.00 0.00 0.00 179.25 180.17 1w1a h ASP 137 N 0.59 0.83 -0.06 0.00 1.82 -1.99 0.80 116.42 118.41 1w1a h ASP 137 Ca 0.58 -0.10 -0.23 0.00 -0.39 0.00 0.00 57.03 56.89 1w1a h ASP 137 Cb 1.15 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 40.96 1w1a h ASP 137 CO -0.35 0.69 -0.85 1.56 -1.61 0.00 0.00 179.24 178.68 1w1a h GLN 138 N 0.91 0.73 -0.60 0.28 4.20 -0.33 -2.95 115.11 117.35 1w1a h GLN 138 Ca 0.23 -0.65 -0.04 0.00 0.06 0.00 0.00 58.65 58.26 1w1a h GLN 138 Cb 0.05 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1w1a h GLN 138 CO -0.04 1.25 0.24 0.82 -0.67 0.00 0.00 178.83 180.43 1w1a h ILE 139 N 0.48 1.23 -1.00 2.54 2.04 0.69 0.20 117.51 123.69 1w1a h ILE 139 Ca -0.07 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1w1a h ILE 139 Cb 1.48 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1w1a h ILE 139 CO 0.17 0.28 0.66 -0.61 0.00 0.00 0.00 178.15 178.65 1w1a h GLN 140 N 0.84 1.29 -0.10 2.37 4.15 -0.84 -1.29 115.11 121.52 1w1a h GLN 140 Ca 0.20 -0.08 -0.17 0.00 0.77 0.00 0.00 58.65 59.37 1w1a h GLN 140 Cb 0.21 -0.29 0.01 0.00 0.21 0.00 0.00 27.48 27.61 1w1a h GLN 140 CO -0.02 0.86 -0.61 0.22 -1.93 0.00 0.00 178.83 177.35 1w1a h ASP 141 N 1.33 0.71 -0.76 -0.69 3.58 -1.28 -0.78 116.42 118.52 1w1a h ASP 141 Ca 0.38 -0.66 0.13 0.00 0.42 0.00 0.00 57.03 57.30 1w1a h ASP 141 Cb -0.11 -0.21 -0.09 0.00 1.72 0.00 0.00 39.33 40.64 1w1a h ASP 141 CO -0.09 1.25 0.35 -0.33 -2.88 0.00 0.00 179.24 177.53 1w1a h GLU 142 N 0.21 0.51 0.01 0.28 4.39 -0.19 -1.77 114.58 118.03 1w1a h GLU 142 Ca -0.05 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1w1a h GLU 142 Cb 1.26 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1w1a h GLU 142 CO 0.12 0.34 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.08 1w1a h LEU 143 N 0.53 0.03 -1.79 1.33 3.38 -1.26 -1.09 115.31 116.45 1w1a h LEU 143 Ca 0.41 -0.96 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 1w1a h LEU 143 Cb 0.56 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1w1a h LEU 143 CO -0.36 1.07 -0.14 -0.78 0.09 0.00 0.00 178.44 178.33 1w1a h ASP 144 N -0.95 0.00 0.64 -0.43 1.82 -1.09 -2.19 116.42 114.22 1w1a h ASP 144 Ca -0.04 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.54 1w1a h ASP 144 Cb 1.07 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.07 1w1a h ASP 144 CO -0.01 0.14 -0.28 0.77 -1.61 0.00 0.00 179.24 178.25 1w1a h SER 145 N 0.00 0.00 -0.14 2.28 4.64 -1.48 0.59 113.55 119.45 1w1a h SER 145 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1w1a h SER 145 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1w1a h SER 145 CO 0.02 0.28 -0.28 0.58 -0.87 0.00 0.00 176.83 176.56 1w1a h VAL 146 N 0.00 1.37 -0.90 0.95 2.07 -1.54 -2.71 116.25 115.50 1w1a h VAL 146 Ca -0.00 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 1w1a h VAL 146 Cb 0.68 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 1w1a h VAL 146 CO 0.04 0.46 0.56 0.78 0.02 0.00 0.00 177.57 179.42 1w1a h ASN 147 N 0.03 1.06 -0.18 0.57 2.35 -1.34 -1.26 115.58 116.81 1w1a h ASN 147 Ca 0.00 -0.06 0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1w1a h ASN 147 Cb 0.87 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.93 1w1a h ASN 147 CO 0.06 0.80 -0.11 -0.08 -1.65 0.00 0.00 177.43 176.45 1w1a h GLU 148 N 1.23 -0.10 -0.47 0.81 4.57 -0.86 0.19 114.58 119.95 1w1a h GLU 148 Ca 0.32 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.43 1w1a h GLU 148 Cb -0.08 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1w1a h GLU 148 CO -0.06 -0.07 -0.00 0.93 -1.18 0.00 0.00 179.01 178.62 1w1a h GLU 149 N -0.11 0.83 -0.53 1.92 4.39 -1.15 -1.28 114.58 118.65 1w1a h GLU 149 Ca 0.11 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.54 1w1a h GLU 149 Cb 0.26 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1w1a h GLU 149 CO -0.25 0.88 0.35 0.28 -1.16 0.00 0.00 179.01 179.11 1w1a h VAL 150 N 0.68 1.14 -0.30 3.13 2.07 -0.96 -2.46 116.25 119.55 1w1a h VAL 150 Ca 0.13 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1w1a h VAL 150 Cb 0.51 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1w1a h VAL 150 CO 0.02 0.13 0.07 0.22 0.02 0.00 0.00 177.57 178.04 1w1a h TYR 151 N 0.72 0.51 -1.04 1.57 5.03 -0.86 0.25 116.97 123.14 1w1a h TYR 151 Ca 0.19 -0.06 0.27 0.00 2.58 0.00 0.00 58.73 61.72 1w1a h TYR 151 Cb -0.08 -0.14 -0.11 0.00 1.55 0.00 0.00 36.73 37.95 1w1a h TYR 151 CO -0.04 0.54 0.66 -0.22 -1.32 0.00 0.00 178.16 177.78 1w1a h LYS 152 N 0.32 0.42 0.11 1.82 3.64 -0.91 0.50 116.57 122.48 1w1a h LYS 152 Ca 0.09 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.22 1w1a h LYS 152 Cb 0.29 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1w1a h LYS 152 CO 0.00 0.28 -1.14 0.82 -2.27 0.00 0.00 179.45 177.13 1w1a h ILE 153 N 0.43 1.21 0.00 2.00 2.04 -0.96 -3.42 117.51 118.82 1w1a h ILE 153 Ca 0.63 -2.43 -0.36 0.00 1.00 0.00 0.00 64.86 63.70 1w1a h ILE 153 Cb 1.49 2.87 -0.07 0.00 -0.74 0.00 0.00 36.82 40.37 1w1a h ILE 153 CO -0.36 0.68 -2.32 0.35 0.00 0.00 0.00 178.15 176.49 1w1a n THR 154 N -4.05 1.43 -0.91 -0.27 -2.24 0.84 -4.95 114.28 104.12 1w1a n THR 154 Ca -0.21 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 1w1a n THR 154 Cb 0.84 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1w1a n THR 154 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w1a n GLY 155 N 1.77 0.74 3.55 3.38 0.00 0.17 -4.99 105.19 109.82 1w1a n GLY 155 Ca -0.32 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1w1a n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w1a s LYS 156 N -0.09 1.85 -0.23 1.61 1.02 -1.26 -5.05 119.74 117.60 1w1a s LYS 156 Ca 0.00 -2.06 -0.07 0.00 0.02 0.00 0.00 55.97 53.86 1w1a s LYS 156 Cb 0.00 -1.23 0.11 0.00 -0.52 0.00 0.00 37.83 36.18 1w1a s LYS 156 CO 0.00 -0.17 0.47 -1.14 -0.92 0.00 0.00 175.35 173.59 1w1a s GLN 157 N -3.80 0.39 0.91 1.68 0.74 -1.26 -4.18 119.66 114.14 1w1a s GLN 157 Ca 0.32 1.09 -0.12 0.00 0.05 0.00 0.00 55.36 56.69 1w1a s GLN 157 Cb 0.08 0.39 0.14 0.00 1.10 0.00 0.00 33.01 34.72 1w1a s GLN 157 CO 0.15 -0.28 1.12 -0.51 -0.55 0.00 0.00 175.29 175.22 1w1a s ASP 158 N 2.68 3.47 0.74 6.67 1.01 -1.26 -4.99 116.67 124.98 1w1a s ASP 158 Ca -0.01 1.05 -0.15 0.00 0.71 0.00 0.00 52.55 54.15 1w1a s ASP 158 Cb -0.12 -1.66 0.04 0.00 1.01 0.00 0.00 42.92 42.18 1w1a s ASP 158 CO -0.15 -2.59 1.20 0.59 0.21 0.00 0.00 175.17 174.44 1w1a n ASN 159 N -3.80 1.30 -4.59 0.27 3.02 -1.26 -4.87 115.26 105.34 1w1a n ASN 159 Ca 0.06 0.68 -0.42 0.00 -0.03 0.00 0.00 54.58 54.87 1w1a n ASN 159 Cb 0.58 -1.51 -0.02 0.00 -0.61 0.00 0.00 39.78 38.22 1w1a n ASN 159 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1w1a s LEU 160 N -4.82 3.51 -0.04 3.41 1.02 -1.26 -4.93 118.68 115.57 1w1a s LEU 160 Ca 0.77 0.31 0.06 0.00 0.02 0.00 0.00 54.13 55.29 1w1a s LEU 160 Cb -0.33 -3.31 -0.01 0.00 0.02 0.00 0.00 46.19 42.55 1w1a s LEU 160 CO 0.47 -1.43 -0.24 -0.31 0.02 0.00 0.00 176.35 174.86 1w1a s TYR 161 N 4.98 2.28 -0.02 0.29 2.02 -1.26 -0.78 117.35 124.86 1w1a s TYR 161 Ca 0.47 -0.59 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 1w1a s TYR 161 Cb -0.08 -1.49 -0.00 0.00 -0.40 0.00 0.00 41.96 39.99 1w1a s TYR 161 CO 0.28 -0.15 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.84 1w1a s LEU 162 N -0.29 1.89 -0.24 -1.29 2.96 0.87 -0.13 118.68 122.44 1w1a s LEU 162 Ca 0.01 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1w1a s LEU 162 Cb -0.12 -0.57 0.06 0.00 0.50 0.00 0.00 46.19 46.06 1w1a s LEU 162 CO 0.02 0.10 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.46 1w1a s ARG 163 N 0.00 1.94 -0.02 1.98 3.52 -0.41 -0.81 118.95 125.15 1w1a s ARG 163 Ca -0.00 -1.09 -0.37 0.00 -0.13 0.00 0.00 55.73 54.15 1w1a s ARG 163 Cb -0.07 -2.66 -0.15 0.00 -1.56 0.00 0.00 34.95 30.51 1w1a s ARG 163 CO 0.00 -0.55 1.57 -2.30 -0.81 0.00 0.00 175.30 173.21 1w1a n PRO 164 N 4.59 1.49 -1.69 5.12 -0.02 -1.26 -4.46 135.00 138.77 1w1a n PRO 164 Ca -0.13 0.54 -0.44 0.00 -2.02 0.00 0.00 63.50 61.45 1w1a n PRO 164 Cb 0.44 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1w1a n PRO 164 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1w1a n PRO 165 N 4.02 2.27 -0.91 0.52 -0.02 -1.26 -0.37 135.00 139.24 1w1a n PRO 165 Ca 0.21 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1w1a n PRO 165 Cb 0.21 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1w1a n PRO 165 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1w1a n ARG 166 N 2.36 -0.34 -1.05 -0.52 1.74 -1.26 -2.83 116.66 114.76 1w1a n ARG 166 Ca 0.12 0.09 -0.02 0.00 -0.77 0.00 0.00 57.85 57.27 1w1a n ARG 166 Cb 0.33 -3.44 -0.01 0.00 -1.02 0.00 0.00 32.46 28.32 1w1a n ARG 166 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1w1a n GLY 167 N -1.81 0.39 3.85 -0.13 0.00 0.50 -4.88 105.19 103.11 1w1a n GLY 167 Ca 0.00 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1w1a n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w1a s VAL 168 N -1.63 5.15 0.21 1.61 1.01 -1.13 -1.03 120.40 124.59 1w1a s VAL 168 Ca 0.00 0.66 -0.07 0.00 0.00 0.00 0.00 61.98 62.58 1w1a s VAL 168 Cb 0.00 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1w1a s VAL 168 CO 0.00 0.58 0.39 2.22 0.00 0.00 0.00 175.10 178.29 1w1a n PHE 169 N 1.82 -1.59 -3.83 5.22 -1.74 0.57 -4.54 117.46 113.37 1w1a n PHE 169 Ca -0.15 -1.04 -0.07 0.00 -0.56 0.00 0.00 57.45 55.63 1w1a n PHE 169 Cb 0.53 0.46 -0.00 0.00 1.52 0.00 0.00 39.48 41.99 1w1a n PHE 169 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1w1a s SER 170 N -2.11 -0.14 0.17 5.98 1.04 -1.26 0.69 113.70 118.07 1w1a s SER 170 Ca 0.10 -0.83 -0.12 0.00 0.48 0.00 0.00 55.95 55.58 1w1a s SER 170 Cb -0.02 0.76 0.06 0.00 0.10 0.00 0.00 66.02 66.92 1w1a s SER 170 CO 0.07 -1.46 1.69 -0.08 0.98 0.00 0.00 173.24 174.44 1w1a h GLU 171 N 2.00 0.89 -0.60 4.02 4.81 -1.75 -1.15 114.58 122.80 1w1a h GLU 171 Ca -0.25 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 58.83 1w1a h GLU 171 Cb 1.25 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1w1a h GLU 171 CO 0.31 0.81 0.33 -0.92 -0.73 0.00 0.00 179.01 178.81 1w1a h TYR 172 N 0.81 0.61 -0.40 0.92 3.20 -1.29 0.78 116.97 121.60 1w1a h TYR 172 Ca 0.18 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1w1a h TYR 172 Cb 0.29 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1w1a h TYR 172 CO 0.02 0.30 0.04 0.28 -1.64 0.00 0.00 178.16 177.16 1w1a h VAL 173 N 0.63 1.25 0.39 1.81 2.07 -1.78 0.08 116.25 120.70 1w1a h VAL 173 Ca 0.27 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1w1a h VAL 173 Cb 0.14 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1w1a h VAL 173 CO -0.16 0.32 -0.19 -0.07 0.02 0.00 0.00 177.57 177.49 1w1a h LEU 174 N 0.53 -0.45 -0.12 2.57 3.38 -0.94 -0.69 115.31 119.59 1w1a h LEU 174 Ca 0.12 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1w1a h LEU 174 Cb 0.41 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1w1a h LEU 174 CO 0.01 -0.21 -0.25 0.50 0.09 0.00 0.00 178.44 178.58 1w1a h LYS 175 N -0.68 -0.31 0.20 1.13 3.64 -0.84 0.23 116.57 119.93 1w1a h LYS 175 Ca -0.05 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1w1a h LYS 175 Cb 0.49 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1w1a h LYS 175 CO 0.09 -0.21 -0.19 1.49 -2.27 0.00 0.00 179.45 178.36 1w1a h GLU 176 N -0.33 -0.41 -0.10 1.90 4.57 -0.96 0.98 114.58 120.24 1w1a h GLU 176 Ca 0.10 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1w1a h GLU 176 Cb 0.47 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1w1a h GLU 176 CO -0.31 -0.27 -0.11 1.79 -1.18 0.00 0.00 179.01 178.94 1w1a h THR 177 N -0.42 1.14 -0.32 0.32 1.35 -0.96 -0.88 112.91 113.14 1w1a h THR 177 Ca 0.00 -0.60 -0.18 0.00 -0.55 0.00 0.00 66.41 65.08 1w1a h THR 177 Cb 0.40 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1w1a h THR 177 CO -0.05 0.18 -0.49 0.50 -0.25 0.00 0.00 175.52 175.42 1w1a h LYS 178 N 0.15 0.89 0.00 4.72 3.64 -0.62 -0.27 116.57 125.08 1w1a h LYS 178 Ca 0.03 -0.52 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1w1a h LYS 178 Cb 0.28 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1w1a h LYS 178 CO 0.02 1.17 -0.06 -0.09 -2.27 0.00 0.00 179.45 178.21 1w1a h ARG 179 N 0.70 0.00 -0.20 1.90 2.43 0.34 0.12 114.38 119.67 1w1a h ARG 179 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1w1a h ARG 179 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1w1a h ARG 179 CO 0.11 0.06 0.00 1.28 -1.51 0.00 0.00 179.97 179.91 1w1a n LEU 180 N -3.92 1.41 0.00 3.80 4.77 -0.45 -4.91 117.00 117.71 1w1a n LEU 180 Ca -0.03 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1w1a n LEU 180 Cb 0.15 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1w1a n LEU 180 CO 0.30 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1w1a n GLY 181 N 1.01 0.63 3.87 -0.72 0.00 0.42 -5.05 105.19 105.35 1w1a n GLY 181 Ca 0.13 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1w1a n GLY 181 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w1a s TYR 182 N -2.00 3.62 -0.32 1.61 1.51 -0.19 -4.62 117.35 116.95 1w1a s TYR 182 Ca 0.00 0.75 -0.13 0.00 -1.01 0.00 0.00 57.07 56.68 1w1a s TYR 182 Cb 0.00 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 1w1a s TYR 182 CO 0.00 0.60 0.27 -1.14 -1.11 0.00 0.00 175.55 174.16 1w1a s GLN 183 N -1.59 3.67 -0.14 -0.62 2.00 0.04 -4.10 119.66 118.93 1w1a s GLN 183 Ca 0.28 -0.45 -0.25 0.00 -2.00 0.00 0.00 55.36 52.94 1w1a s GLN 183 Cb -0.14 -3.76 -0.02 0.00 0.80 0.00 0.00 33.01 29.89 1w1a s GLN 183 CO 0.15 -0.38 0.80 0.99 -0.50 0.00 0.00 175.29 176.35 1w1a s THR 184 N 1.83 4.93 -0.20 -0.34 2.01 -1.26 -0.09 115.64 122.51 1w1a s THR 184 Ca 0.08 1.58 0.00 0.00 0.31 0.00 0.00 61.69 63.67 1w1a s THR 184 Cb -0.17 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.25 1w1a s THR 184 CO 0.11 0.09 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.29 1w1a s VAL 185 N 1.78 2.35 0.00 3.82 1.01 0.01 -2.97 120.40 126.41 1w1a s VAL 185 Ca 0.38 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1w1a s VAL 185 Cb -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1w1a s VAL 185 CO 0.14 0.42 0.00 0.49 0.00 0.00 0.00 175.10 176.15 1w1a n PHE 186 N 4.63 0.00 -3.77 5.22 3.72 -0.53 -4.48 117.46 122.24 1w1a n PHE 186 Ca -0.19 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.12 1w1a n PHE 186 Cb 0.49 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.99 1w1a n PHE 186 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 1w1a s TRP 187 N 3.51 -0.10 0.00 1.38 -2.14 -1.26 -4.81 118.94 115.52 1w1a s TRP 187 Ca 0.00 -0.26 0.00 0.00 2.66 0.00 0.00 56.10 58.50 1w1a s TRP 187 Cb 0.00 0.43 0.00 0.00 -3.10 0.00 0.00 33.47 30.80 1w1a s TRP 187 CO 0.00 -0.98 0.03 -1.13 -2.66 0.00 0.00 176.95 172.22 1w1a n SER 188 N -0.37 0.07 -3.75 -2.66 3.41 0.60 -4.83 113.62 106.09 1w1a n SER 188 Ca -0.08 -0.45 -0.17 0.00 -0.26 0.00 0.00 58.87 57.91 1w1a n SER 188 Cb 0.62 0.75 -0.17 0.00 -0.26 0.00 0.00 64.21 65.15 1w1a n SER 188 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1w1a s VAL 189 N -0.75 -0.05 0.11 -3.33 1.01 -0.91 -4.67 120.40 111.81 1w1a s VAL 189 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 1w1a s VAL 189 Cb 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 36.38 36.33 1w1a s VAL 189 CO 0.00 0.12 0.62 0.00 0.00 0.00 0.00 175.10 175.85 1w1a s ALA 190 N 1.39 -1.64 0.35 5.51 0.00 -1.26 -0.70 121.76 125.41 1w1a s ALA 190 Ca -0.05 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.44 1w1a s ALA 190 Cb -0.13 0.68 0.04 0.00 0.00 0.00 0.00 23.12 23.72 1w1a s ALA 190 CO -0.03 -0.68 0.74 -0.59 0.00 0.00 0.00 175.76 175.20 1w1a s PHE 191 N -3.18 0.14 -1.09 0.00 -0.71 -1.26 -5.06 117.98 106.81 1w1a s PHE 191 Ca -0.01 -0.72 -0.20 0.00 -1.04 0.00 0.00 56.93 54.95 1w1a s PHE 191 Cb -0.01 0.71 0.08 0.00 -1.21 0.00 0.00 43.02 42.59 1w1a s PHE 191 CO -0.08 -1.44 1.47 0.08 -1.34 0.00 0.00 175.22 173.90 1w1a s VAL 192 N -2.79 4.21 -0.19 -2.49 1.01 -1.26 -4.65 120.40 114.25 1w1a s VAL 192 Ca 0.16 -1.36 0.13 0.00 0.00 0.00 0.00 61.98 60.91 1w1a s VAL 192 Cb -0.05 -5.03 0.39 0.00 0.00 0.00 0.00 36.38 31.69 1w1a s VAL 192 CO 0.11 -1.86 1.20 -0.90 0.00 0.00 0.00 175.10 173.65 1w1a n ASP 193 N 8.07 1.84 0.00 3.32 5.75 -1.26 -4.65 116.55 129.63 1w1a n ASP 193 Ca 0.36 -3.68 0.00 0.00 -0.01 0.00 0.00 54.79 51.46 1w1a n ASP 193 Cb 0.49 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1w1a n ASP 193 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 1w1a n TRP 194 N -1.17 0.00 -3.08 2.11 4.27 -1.26 -3.88 117.44 114.44 1w1a n TRP 194 Ca 0.18 -0.12 -0.43 0.00 -3.89 0.00 0.00 57.50 53.24 1w1a n TRP 194 Cb 0.68 -0.01 -0.06 0.00 -1.36 0.00 0.00 31.31 30.56 1w1a n TRP 194 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1w1a s LYS 195 N -0.25 3.22 0.33 -2.67 1.02 -1.26 -4.92 119.74 115.21 1w1a s LYS 195 Ca 0.00 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 55.47 1w1a s LYS 195 Cb 0.00 -4.03 0.58 0.00 -0.52 0.00 0.00 37.83 33.86 1w1a s LYS 195 CO 0.00 -1.19 1.83 0.82 -0.92 0.00 0.00 175.35 175.90 1w1a h ILE 196 N 5.90 1.22 0.00 2.17 1.08 -1.95 -2.51 117.51 123.41 1w1a h ILE 196 Ca -0.26 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.26 1w1a h ILE 196 Cb 1.09 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1w1a h ILE 196 CO 0.96 0.31 0.00 -0.46 -0.69 0.00 0.00 178.15 178.27 1w1a n ASN 197 N -4.22 0.00 -3.03 1.72 2.04 -1.26 -4.04 115.26 106.46 1w1a n ASN 197 Ca 0.00 0.00 -0.18 0.00 -0.44 0.00 0.00 54.58 53.97 1w1a n ASN 197 Cb 0.30 -0.30 -0.03 0.00 -2.53 0.00 0.00 39.78 37.23 1w1a n ASN 197 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1w1a n ASN 198 N -1.30 -1.20 -4.56 0.53 5.15 -0.95 -5.08 115.26 107.85 1w1a n ASN 198 Ca 0.10 -2.88 -0.43 0.00 -0.60 0.00 0.00 54.58 50.78 1w1a n ASN 198 Cb 0.18 0.37 -0.03 0.00 -0.53 0.00 0.00 39.78 39.77 1w1a n ASN 198 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1w1a s GLN 199 N -0.27 3.47 0.00 1.20 -0.21 -1.21 -4.74 119.66 117.91 1w1a s GLN 199 Ca 0.33 0.07 0.21 0.00 0.02 0.00 0.00 55.36 56.00 1w1a s GLN 199 Cb 0.16 -3.99 1.04 0.00 1.00 0.00 0.00 33.01 31.21 1w1a s GLN 199 CO -0.16 -1.46 1.69 1.63 -2.12 0.00 0.00 175.29 174.87 1w1a n LYS 200 N 7.69 0.22 0.00 2.91 5.02 -1.26 -4.91 118.16 127.82 1w1a n LYS 200 Ca 0.06 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1w1a n LYS 200 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1w1a n LYS 200 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1w1a n GLY 201 N 0.58 -0.21 0.41 0.72 0.00 -1.26 -4.54 105.19 100.88 1w1a n GLY 201 Ca 0.09 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.13 1w1a n GLY 201 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1w1a h LYS 202 N 0.00 -0.68 -0.71 1.61 3.64 -1.82 -3.22 116.57 115.40 1w1a h LYS 202 Ca 0.00 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.56 1w1a h LYS 202 Cb 0.00 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 31.88 1w1a h LYS 202 CO 0.00 -0.45 0.24 -0.22 -2.27 0.00 0.00 179.45 176.75 1w1a h LYS 203 N -0.70 0.36 -0.24 1.90 3.64 -1.95 -0.91 116.57 118.67 1w1a h LYS 203 Ca 0.00 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1w1a h LYS 203 Cb 0.69 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1w1a h LYS 203 CO -0.18 0.24 -0.15 -0.92 -2.27 0.00 0.00 179.45 176.17 1w1a h TYR 204 N 0.37 -0.37 -0.24 1.91 3.20 -1.79 0.65 116.97 120.70 1w1a h TYR 204 Ca 0.39 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.18 1w1a h TYR 204 Cb 0.60 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 1w1a h TYR 204 CO -0.20 -0.22 -0.28 0.00 -1.64 0.00 0.00 178.16 175.82 1w1a h ALA 205 N 1.05 0.36 -0.14 1.82 0.00 -1.57 -2.76 119.26 118.03 1w1a h ALA 205 Ca 0.13 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1w1a h ALA 205 Cb 0.33 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1w1a h ALA 205 CO -0.32 0.37 -0.09 -0.92 0.00 0.00 0.00 179.25 178.29 1w1a h TYR 206 N 0.33 -0.21 -0.87 0.00 3.20 -0.88 -0.71 116.97 117.84 1w1a h TYR 206 Ca 0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1w1a h TYR 206 Cb 0.84 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 1w1a h TYR 206 CO 0.08 -0.13 0.55 -0.44 -1.64 0.00 0.00 178.16 176.57 1w1a h ASP 207 N -0.09 1.03 -0.91 -2.11 3.32 -0.91 -1.72 116.42 115.02 1w1a h ASP 207 Ca 0.08 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1w1a h ASP 207 Cb 0.21 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1w1a h ASP 207 CO -0.19 0.77 0.51 0.45 -1.72 0.00 0.00 179.24 179.06 1w1a h HIS 208 N 1.19 1.25 0.00 4.55 3.86 -1.13 0.12 115.15 124.99 1w1a h HIS 208 Ca 0.32 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.42 1w1a h HIS 208 Cb -0.08 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 27.97 1w1a h HIS 208 CO -0.00 0.86 -0.38 0.52 0.86 0.00 0.00 177.93 179.79 1w1a h MET 209 N 1.28 0.00 0.01 2.45 2.86 -0.58 -1.24 114.93 119.71 1w1a h MET 209 Ca 0.32 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.91 1w1a h MET 209 Cb 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1w1a h MET 209 CO -0.05 0.38 -0.26 0.82 1.06 0.00 0.00 176.91 178.85 1w1a h ILE 210 N 0.00 1.64 -0.69 -1.22 1.08 -0.88 -3.25 117.51 114.19 1w1a h ILE 210 Ca -0.00 -2.34 -0.05 0.00 -0.39 0.00 0.00 64.86 62.08 1w1a h ILE 210 Cb 0.71 3.21 -0.03 0.00 -3.07 0.00 0.00 36.82 37.64 1w1a h ILE 210 CO 0.05 0.58 0.25 0.11 -0.69 0.00 0.00 178.15 178.45 1w1a h LYS 211 N -0.94 1.05 -0.00 2.37 1.57 -0.77 -3.05 116.57 116.81 1w1a h LYS 211 Ca -0.06 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1w1a h LYS 211 Cb 1.11 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1w1a h LYS 211 CO -0.02 0.89 -0.10 1.04 -0.57 0.00 0.00 179.45 180.69 1w1a n GLN 212 N -4.35 0.39 -1.71 3.15 6.02 -0.47 -4.46 117.38 115.94 1w1a n GLN 212 Ca 0.05 -0.10 -0.43 0.00 -0.01 0.00 0.00 57.00 56.52 1w1a n GLN 212 Cb 0.19 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 1w1a n GLN 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1w1a n ALA 213 N -1.22 2.22 -3.00 -1.58 0.00 -1.15 -4.78 120.51 110.99 1w1a n ALA 213 Ca 0.12 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.85 1w1a n ALA 213 Cb 0.29 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.26 1w1a n ALA 213 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1w1a s HIS 214 N 0.48 -0.12 0.36 0.00 -3.43 -1.26 -4.32 115.29 107.00 1w1a s HIS 214 Ca 0.70 -0.22 -0.28 0.00 -0.80 0.00 0.00 55.06 54.46 1w1a s HIS 214 Cb -0.55 0.24 -0.11 0.00 -1.43 0.00 0.00 32.58 30.73 1w1a s HIS 214 CO 0.42 -0.73 1.42 -2.14 -2.00 0.00 0.00 174.74 171.71 1w1a s PRO 215 N -3.83 4.20 0.00 -0.38 0.02 -1.26 -2.14 135.00 131.61 1w1a s PRO 215 Ca 0.05 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1w1a s PRO 215 Cb 0.02 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1w1a s PRO 215 CO -0.09 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 1w1a n GLY 216 N 0.59 0.33 3.76 0.52 0.00 0.70 -4.45 105.19 106.64 1w1a n GLY 216 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1w1a n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w1a s ALA 217 N -1.78 3.64 -0.35 4.61 0.00 -0.91 -0.25 121.76 126.72 1w1a s ALA 217 Ca 0.00 1.49 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 1w1a s ALA 217 Cb 0.00 -3.60 0.08 0.00 0.00 0.00 0.00 23.12 19.60 1w1a s ALA 217 CO 0.00 -0.92 0.10 0.42 0.00 0.00 0.00 175.76 175.36 1w1a s ILE 218 N -0.47 3.13 0.37 0.00 1.01 -1.26 -1.04 121.20 122.93 1w1a s ILE 218 Ca 0.58 -1.71 -0.24 0.00 0.00 0.00 0.00 60.65 59.28 1w1a s ILE 218 Cb -0.45 -2.97 -0.10 0.00 0.01 0.00 0.00 42.46 38.94 1w1a s ILE 218 CO 0.52 -0.39 0.97 -0.31 0.00 0.00 0.00 174.94 175.73 1w1a s TYR 219 N 1.20 3.49 -0.22 3.97 1.51 -0.44 -0.29 117.35 126.56 1w1a s TYR 219 Ca 0.02 1.70 0.01 0.00 -1.01 0.00 0.00 57.07 57.79 1w1a s TYR 219 Cb -0.21 -2.95 0.06 0.00 -0.11 0.00 0.00 41.96 38.75 1w1a s TYR 219 CO -0.03 -0.06 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.12 1w1a s LEU 220 N -2.50 2.47 0.29 -1.29 2.96 0.12 -1.74 118.68 118.99 1w1a s LEU 220 Ca 0.55 -1.09 0.08 0.00 -0.22 0.00 0.00 54.13 53.45 1w1a s LEU 220 Cb -0.17 -1.18 -0.06 0.00 0.50 0.00 0.00 46.19 45.29 1w1a s LEU 220 CO 0.21 -0.21 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.17 1w1a s LEU 221 N 1.40 2.58 0.25 -0.68 1.43 -0.48 -4.52 118.68 118.66 1w1a s LEU 221 Ca -0.05 -1.15 0.12 0.00 -1.03 0.00 0.00 54.13 52.02 1w1a s LEU 221 Cb -0.18 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 1w1a s LEU 221 CO -0.07 -0.22 -0.21 -1.00 0.23 0.00 0.00 176.35 175.08 1w1a s HIS 222 N -2.82 2.27 -0.24 0.29 3.76 -1.26 -2.10 115.29 115.19 1w1a s HIS 222 Ca 0.29 -0.35 0.10 0.00 -0.15 0.00 0.00 55.06 54.96 1w1a s HIS 222 Cb 0.01 -1.03 0.44 0.00 1.11 0.00 0.00 32.58 33.12 1w1a s HIS 222 CO 0.13 0.64 1.28 0.25 -0.85 0.00 0.00 174.74 176.19 1w1a n THR 223 N -0.32 2.33 0.16 1.30 -2.24 -1.26 -4.69 114.28 109.56 1w1a n THR 223 Ca -0.08 -3.19 0.06 0.00 -2.27 0.00 0.00 64.05 58.58 1w1a n THR 223 Cb 0.59 -0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.40 1w1a n THR 223 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1w1a n VAL 224 N -1.10 0.00 -3.34 2.28 0.24 -1.26 -3.97 118.33 111.18 1w1a n VAL 224 Ca 0.24 -0.27 -0.33 0.00 -2.04 0.00 0.00 64.34 61.94 1w1a n VAL 224 Cb 0.79 0.42 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 1w1a n VAL 224 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1w1a s SER 225 N -3.16 6.70 -0.10 -1.34 0.15 -1.25 -4.81 113.70 109.87 1w1a s SER 225 Ca -0.02 1.03 -0.38 0.00 0.70 0.00 0.00 55.95 57.28 1w1a s SER 225 Cb 0.09 -2.27 -0.16 0.00 -1.71 0.00 0.00 66.02 61.97 1w1a s SER 225 CO 0.54 -0.07 1.56 -1.14 1.20 0.00 0.00 173.24 175.33 1w1a n ARG 226 N -0.03 1.16 -1.15 5.44 0.63 -1.26 -1.84 116.66 119.62 1w1a n ARG 226 Ca 0.00 0.42 -0.05 0.00 -0.92 0.00 0.00 57.85 57.30 1w1a n ARG 226 Cb 0.52 -2.09 -0.02 0.00 0.45 0.00 0.00 32.46 31.32 1w1a n ARG 226 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1w1a n ASP 227 N 4.05 -4.81 -0.11 6.15 8.00 -1.26 -4.17 116.55 124.40 1w1a n ASP 227 Ca 0.23 0.13 0.07 0.00 0.71 0.00 0.00 54.79 55.93 1w1a n ASP 227 Cb 0.16 -2.77 0.41 0.00 -0.02 0.00 0.00 41.12 38.90 1w1a n ASP 227 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1w1a h ASN 228 N 0.00 0.54 -0.24 -2.24 -1.07 -1.72 -1.36 115.58 109.48 1w1a h ASN 228 Ca -0.11 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.24 1w1a h ASN 228 Cb 0.73 -0.12 -0.01 0.00 -2.07 0.00 0.00 38.32 36.86 1w1a h ASN 228 CO 0.16 0.35 0.08 0.00 0.07 0.00 0.00 177.43 178.08 1w1a h ALA 229 N 1.66 0.32 -0.17 4.14 0.00 -1.89 -1.29 119.26 122.04 1w1a h ALA 229 Ca 0.26 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1w1a h ALA 229 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1w1a h ALA 229 CO -0.08 -0.06 -0.34 0.93 0.00 0.00 0.00 179.25 179.70 1w1a h GLU 230 N 0.22 0.34 -0.39 0.00 3.07 -1.79 -0.91 114.58 115.12 1w1a h GLU 230 Ca 0.08 -0.15 -0.15 0.00 -0.50 0.00 0.00 59.36 58.64 1w1a h GLU 230 Cb 0.24 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1w1a h GLU 230 CO -0.00 0.65 -0.35 0.00 -1.40 0.00 0.00 179.01 177.91 1w1a h ALA 231 N 1.35 0.64 -0.43 3.43 0.00 -1.16 -2.22 119.26 120.87 1w1a h ALA 231 Ca 0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1w1a h ALA 231 Cb 0.75 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1w1a h ALA 231 CO 0.06 0.67 0.13 1.25 0.00 0.00 0.00 179.25 181.36 1w1a h LEU 232 N 0.75 0.62 0.12 0.00 5.85 -0.99 0.51 115.31 122.17 1w1a h LEU 232 Ca 0.07 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1w1a h LEU 232 Cb 0.93 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 1w1a h LEU 232 CO 0.09 0.66 -0.42 -0.78 -0.34 0.00 0.00 178.44 177.65 1w1a h ASP 233 N 0.55 -1.25 -0.90 1.25 1.82 -0.99 0.25 116.42 117.14 1w1a h ASP 233 Ca 0.14 0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.91 1w1a h ASP 233 Cb 0.27 0.47 -0.04 0.00 0.68 0.00 0.00 39.33 40.70 1w1a h ASP 233 CO -0.00 -0.49 0.53 0.44 -1.61 0.00 0.00 179.24 178.10 1w1a h ASP 234 N -0.66 1.09 -0.61 2.28 5.19 -1.34 -0.51 116.42 121.86 1w1a h ASP 234 Ca 0.02 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 1w1a h ASP 234 Cb 0.69 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 1w1a h ASP 234 CO -0.25 0.85 0.27 0.00 -3.12 0.00 0.00 179.24 176.99 1w1a h ALA 235 N 1.33 0.79 -0.19 3.45 0.00 -0.14 0.17 119.26 124.68 1w1a h ALA 235 Ca 0.32 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1w1a h ALA 235 Cb -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1w1a h ALA 235 CO -0.06 0.39 -0.18 0.82 0.00 0.00 0.00 179.25 180.22 1w1a h ILE 236 N 0.85 1.33 -0.32 0.00 2.04 -0.20 0.86 117.51 122.06 1w1a h ILE 236 Ca 0.21 -1.33 0.07 0.00 1.00 0.00 0.00 64.86 64.81 1w1a h ILE 236 Cb 0.17 1.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.94 1w1a h ILE 236 CO -0.02 0.40 -0.19 0.74 0.00 0.00 0.00 178.15 179.08 1w1a h THR 237 N 0.13 0.46 -0.03 -0.27 2.02 -0.75 -0.87 112.91 113.59 1w1a h THR 237 Ca 0.03 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.99 1w1a h THR 237 Cb 0.71 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1w1a h THR 237 CO 0.04 0.00 -0.88 0.44 0.37 0.00 0.00 175.52 175.49 1w1a h ASP 238 N -0.15 0.60 -0.53 4.18 3.32 -0.62 -2.81 116.42 120.41 1w1a h ASP 238 Ca 0.16 -0.45 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 1w1a h ASP 238 Cb 0.41 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1w1a h ASP 238 CO -0.41 1.24 0.21 -0.07 -1.72 0.00 0.00 179.24 178.49 1w1a h LEU 239 N 0.29 0.76 -0.58 1.55 3.38 -0.55 -1.55 115.31 118.61 1w1a h LEU 239 Ca -0.07 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1w1a h LEU 239 Cb 1.51 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1w1a h LEU 239 CO 0.16 0.70 0.10 0.11 0.09 0.00 0.00 178.44 179.60 1w1a h LYS 240 N 0.82 0.96 -0.48 1.13 1.57 -1.15 -1.45 116.57 117.98 1w1a h LYS 240 Ca 0.19 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1w1a h LYS 240 Cb 0.19 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1w1a h LYS 240 CO -0.01 0.91 0.32 0.87 -0.57 0.00 0.00 179.45 180.97 1w1a h LYS 241 N 0.86 0.47 0.00 3.15 1.79 -1.11 0.19 116.57 121.92 1w1a h LYS 241 Ca 0.18 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1w1a h LYS 241 Cb 0.41 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1w1a h LYS 241 CO 0.01 0.31 0.00 1.04 -1.08 0.00 0.00 179.45 179.73 1w1a n GLN 242 N -4.48 0.82 -0.48 3.15 6.02 -0.65 -4.87 117.38 116.89 1w1a n GLN 242 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1w1a n GLN 242 Cb 0.18 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.94 1w1a n GLN 242 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1w1a n GLY 243 N 0.67 0.74 3.84 1.08 0.00 0.67 -5.07 105.19 107.11 1w1a n GLY 243 Ca 0.20 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1w1a n GLY 243 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w1a s TYR 244 N -2.00 3.67 -0.12 1.61 2.02 -0.62 -4.78 117.35 117.13 1w1a s TYR 244 Ca 0.00 1.04 0.00 0.00 -0.37 0.00 0.00 57.07 57.75 1w1a s TYR 244 Cb 0.00 -2.34 -0.02 0.00 -0.40 0.00 0.00 41.96 39.20 1w1a s TYR 244 CO 0.00 0.52 -0.14 0.99 -1.57 0.00 0.00 175.55 175.35 1w1a s THR 245 N -1.31 3.01 -0.22 -0.71 2.01 -0.18 -4.28 115.64 113.96 1w1a s THR 245 Ca 0.32 -0.68 -0.16 0.00 0.31 0.00 0.00 61.69 61.48 1w1a s THR 245 Cb -0.16 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1w1a s THR 245 CO 0.18 0.53 0.43 -0.36 -0.69 0.00 0.00 174.62 174.71 1w1a s PHE 246 N 0.22 3.34 0.29 4.92 0.40 -1.26 -1.31 117.98 124.58 1w1a s PHE 246 Ca -0.09 0.60 0.09 0.00 -0.60 0.00 0.00 56.93 56.94 1w1a s PHE 246 Cb -0.15 -2.58 -0.06 0.00 0.51 0.00 0.00 43.02 40.74 1w1a s PHE 246 CO 0.05 -0.10 -0.12 0.15 0.70 0.00 0.00 175.22 175.90 1w1a s LYS 247 N 1.63 1.66 0.47 0.44 1.02 0.10 -4.73 119.74 120.32 1w1a s LYS 247 Ca 0.19 -1.81 0.02 0.00 0.02 0.00 0.00 55.97 54.39 1w1a s LYS 247 Cb -0.15 -1.52 0.01 0.00 -0.52 0.00 0.00 37.83 35.64 1w1a s LYS 247 CO 0.09 0.18 0.68 -1.54 -0.92 0.00 0.00 175.35 173.83 1w1a s SER 248 N -3.51 5.67 0.42 2.83 1.04 -1.26 -3.94 113.70 114.95 1w1a s SER 248 Ca 0.30 0.10 0.12 0.00 0.48 0.00 0.00 55.95 56.95 1w1a s SER 248 Cb 0.00 -1.25 0.90 0.00 0.10 0.00 0.00 66.02 65.78 1w1a s SER 248 CO 0.14 -0.81 1.96 0.40 0.98 0.00 0.00 173.24 175.91 1w1a h ILE 249 N 0.36 1.15 -0.40 -1.02 1.08 -1.89 0.12 117.51 116.92 1w1a h ILE 249 Ca -0.44 -0.69 -0.07 0.00 -0.39 0.00 0.00 64.86 63.26 1w1a h ILE 249 Cb 1.27 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 36.28 1w1a h ILE 249 CO 0.55 0.21 -0.04 0.44 -0.69 0.00 0.00 178.15 178.61 1w1a h ASP 250 N 0.10 0.72 -0.52 1.72 3.32 -1.98 -1.00 116.42 118.79 1w1a h ASP 250 Ca 0.02 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1w1a h ASP 250 Cb 0.34 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1w1a h ASP 250 CO 0.02 0.88 0.34 0.44 -1.72 0.00 0.00 179.24 179.21 1w1a h ASP 251 N 0.55 0.60 -0.42 6.45 3.32 -1.60 0.02 116.42 125.33 1w1a h ASP 251 Ca 0.11 -0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.21 1w1a h ASP 251 Cb 0.54 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1w1a h ASP 251 CO 0.03 0.43 0.08 0.25 -1.72 0.00 0.00 179.24 178.31 1w1a h LEU 252 N 0.70 0.00 -0.07 1.55 6.46 -0.54 -0.47 115.31 122.94 1w1a h LEU 252 Ca 0.19 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1w1a h LEU 252 Cb -0.08 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1w1a h LEU 252 CO -0.04 0.04 0.04 0.24 -0.62 0.00 0.00 178.44 178.09 1w1a h MET 253 N 0.21 0.11 -0.37 1.25 2.86 -0.73 -2.74 114.93 115.52 1w1a h MET 253 Ca 0.20 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1w1a h MET 253 Cb 0.25 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1w1a h MET 253 CO -0.27 0.17 0.20 0.35 1.06 0.00 0.00 176.91 178.42 1w1a h PHE 254 N 0.01 0.50 0.00 -0.22 3.57 -0.60 -2.29 116.94 117.92 1w1a h PHE 254 Ca 0.03 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1w1a h PHE 254 Cb 0.10 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1w1a h PHE 254 CO -0.04 0.39 -0.25 0.93 -2.23 0.00 0.00 178.31 177.11 1w1a h GLU 255 N 0.47 0.00 0.00 1.11 5.08 -1.11 -2.37 114.58 117.76 1w1a h GLU 255 Ca 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1w1a h GLU 255 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1w1a h GLU 255 CO -0.02 0.25 -0.55 1.57 -1.00 0.00 0.00 179.01 179.26 1w1a h LYS 256 N 0.00 0.00 0.31 2.33 2.10 -1.35 -2.58 116.57 117.38 1w1a h LYS 256 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1w1a h LYS 256 Cb 0.54 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1w1a h LYS 256 CO 0.03 0.05 -0.18 1.49 -2.00 0.00 0.00 179.45 178.84 1w1a h GLU 257 N 0.00 -0.44 0.19 0.07 4.57 -0.86 -3.24 114.58 114.86 1w1a h GLU 257 Ca -0.01 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1w1a h GLU 257 Cb 1.06 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1w1a h GLU 257 CO 0.01 -0.30 -0.09 0.52 -1.18 0.00 0.00 179.01 177.97 1w1a h MET 258 N -0.46 -0.24 0.00 1.92 2.86 -1.62 -3.52 114.93 113.87 1w1a h MET 258 Ca -0.04 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1w1a h MET 258 Cb 0.37 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1w1a h MET 258 CO 0.04 -0.16 0.00 -2.13 1.06 0.00 0.00 176.91 175.72