#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w1a s PRO 25 N 0.00 4.14 -0.37 5.55 0.02 -1.26 -4.64 135.00 138.44 1w1a s PRO 25 Ca 0.00 2.55 0.05 0.00 0.02 0.00 0.00 61.00 63.62 1w1a s PRO 25 Cb 0.00 -3.05 0.46 0.00 0.02 0.00 0.00 34.50 31.93 1w1a s PRO 25 CO 0.00 -0.63 1.36 -1.71 -0.33 0.00 0.00 177.00 175.69 1w1a n ASN 26 N 2.57 5.50 -4.65 2.53 4.05 -1.26 -0.59 115.26 123.41 1w1a n ASN 26 Ca 0.10 -3.76 -0.42 0.00 0.45 0.00 0.00 54.58 50.94 1w1a n ASN 26 Cb 0.37 -0.47 -0.03 0.00 1.23 0.00 0.00 39.78 40.88 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 -3.65 4.23 0.21 1.20 2.02 -1.26 -4.94 118.70 116.51 1w1a s GLU 27 Ca 0.54 1.15 -0.31 0.00 0.02 0.00 0.00 54.97 56.37 1w1a s GLU 27 Cb 0.43 -3.64 -0.15 0.00 0.10 0.00 0.00 34.13 30.87 1w1a s GLU 27 CO 0.03 -0.56 1.15 -2.30 0.02 0.00 0.00 175.26 173.60 1w1a n PRO 28 N 6.10 1.32 -3.92 0.39 -0.02 -1.26 -4.41 135.00 133.20 1w1a n PRO 28 Ca 0.09 0.47 -0.17 0.00 -2.02 0.00 0.00 63.50 61.86 1w1a n PRO 28 Cb 0.47 -1.95 -0.16 0.00 -0.02 0.00 0.00 33.50 31.83 1w1a n PRO 28 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1w1a s ILE 29 N -0.38 0.17 -0.27 4.25 1.01 0.29 -4.95 121.20 121.32 1w1a s ILE 29 Ca 0.69 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 61.33 1w1a s ILE 29 Cb -0.79 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1w1a s ILE 29 CO 0.54 0.15 0.15 0.20 0.00 0.00 0.00 174.94 175.97 1w1a s ASN 30 N 1.05 5.76 0.23 3.58 0.01 -1.26 0.08 114.94 124.39 1w1a s ASN 30 Ca -0.09 -0.06 -0.31 0.00 -0.71 0.00 0.00 52.86 51.69 1w1a s ASN 30 Cb -0.13 -2.06 -0.11 0.00 0.41 0.00 0.00 41.25 39.36 1w1a s ASN 30 CO -0.02 -0.03 1.63 0.86 -1.51 0.00 0.00 177.10 178.03 1w1a s TRP 31 N 1.63 2.90 0.18 2.20 -0.11 0.47 -4.93 118.94 121.29 1w1a s TRP 31 Ca 0.07 0.59 -0.24 0.00 1.22 0.00 0.00 56.10 57.74 1w1a s TRP 31 Cb -0.15 -4.05 0.06 0.00 -1.50 0.00 0.00 33.47 27.83 1w1a s TRP 31 CO 0.08 -3.77 0.93 0.20 -4.62 0.00 0.00 176.95 169.77 1w1a s GLY 32 N 0.89 -0.16 -0.26 5.86 0.00 -1.26 -4.97 107.32 107.42 1w1a s GLY 32 Ca 0.69 -0.02 -0.38 0.00 0.00 0.00 0.00 44.72 45.01 1w1a s GLY 32 CO 0.38 0.18 1.36 -0.11 0.00 0.00 0.00 173.10 174.91 1w1a s PHE 33 N -3.24 -0.03 -0.10 1.90 -0.71 -1.26 -4.86 117.98 109.68 1w1a s PHE 33 Ca 0.13 0.01 -0.30 0.00 -1.04 0.00 0.00 56.93 55.74 1w1a s PHE 33 Cb -0.02 0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 42.27 1w1a s PHE 33 CO 0.04 -0.04 1.14 0.21 -1.34 0.00 0.00 175.22 175.22 1w1a s LYS 34 N -2.09 4.34 0.92 1.99 2.20 -1.26 -4.97 119.74 120.87 1w1a s LYS 34 Ca 0.12 1.56 -0.14 0.00 -0.36 0.00 0.00 55.97 57.15 1w1a s LYS 34 Cb -0.00 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 1w1a s LYS 34 CO -0.03 -0.47 0.12 0.54 -0.36 0.00 0.00 175.35 175.15 1w1a n ARG 35 N 5.46 -0.13 -2.16 4.03 1.74 -1.26 -4.50 116.66 119.84 1w1a n ARG 35 Ca 0.11 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 1w1a n ARG 35 Cb 0.47 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 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 -1.67 6.84 0.04 0.55 0.15 -1.26 -4.86 113.70 113.50 1w1a s SER 36 Ca 0.54 2.54 0.06 0.00 0.70 0.00 0.00 55.95 59.79 1w1a s SER 36 Cb -0.23 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.43 1w1a s SER 36 CO 0.70 -0.54 -0.18 -0.69 1.20 0.00 0.00 173.24 173.73 1w1a s VAL 37 N -0.40 1.43 -1.22 4.45 1.01 -1.26 -4.71 120.40 119.71 1w1a s VAL 37 Ca 0.54 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1w1a s VAL 37 Cb -0.38 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1w1a s VAL 37 CO 0.44 0.11 0.00 0.59 0.00 0.00 0.00 175.10 176.24 1w1a n ASN 38 N 1.83 -5.67 -1.47 3.32 3.02 -1.26 -1.43 115.26 113.60 1w1a n ASN 38 Ca -0.18 0.28 -0.13 0.00 -0.03 0.00 0.00 54.58 54.53 1w1a n ASN 38 Cb 0.54 -4.19 -0.01 0.00 -0.61 0.00 0.00 39.78 35.51 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 -2.24 -0.57 -4.03 3.10 8.25 -1.26 -5.01 115.22 113.46 1w1a n HIS 39 Ca -0.11 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.02 1w1a n HIS 39 Cb 0.59 -2.84 -0.06 0.00 1.12 0.00 0.00 29.99 28.80 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 -4.52 3.16 0.30 -0.41 -1.52 -0.51 -4.31 119.66 111.85 1w1a s GLN 40 Ca 0.00 -0.47 -0.30 0.00 -1.95 0.00 0.00 55.36 52.64 1w1a s GLN 40 Cb 0.00 -2.91 -0.12 0.00 -0.22 0.00 0.00 33.01 29.76 1w1a s GLN 40 CO 0.00 0.64 1.49 -2.30 -0.25 0.00 0.00 175.29 174.87 1w1a n PRO 41 N 0.98 2.44 -1.18 2.91 -0.02 -1.26 -4.01 135.00 134.85 1w1a n PRO 41 Ca -0.11 0.86 -0.30 0.00 -2.02 0.00 0.00 63.50 61.93 1w1a n PRO 41 Cb 0.52 -2.58 0.21 0.00 -0.02 0.00 0.00 33.50 31.64 1w1a n PRO 41 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1w1a s PRO 42 N -0.86 -0.55 -0.03 0.52 0.02 -1.26 -4.94 135.00 127.90 1w1a s PRO 42 Ca 0.63 0.09 -0.01 0.00 0.02 0.00 0.00 61.00 61.73 1w1a s PRO 42 Cb -0.55 -1.66 0.03 0.00 0.02 0.00 0.00 34.50 32.34 1w1a s PRO 42 CO 0.53 -3.30 0.06 0.34 -0.33 0.00 0.00 177.00 174.30 1w1a s ASP 43 N -3.83 0.01 0.00 2.53 -1.08 -1.26 -5.02 116.67 108.01 1w1a s ASP 43 Ca 0.69 0.11 0.30 0.00 -0.52 0.00 0.00 52.55 53.13 1w1a s ASP 43 Cb -0.12 0.02 1.39 0.00 -1.46 0.00 0.00 42.92 42.74 1w1a s ASP 43 CO 0.56 -0.12 1.95 0.00 0.52 0.00 0.00 175.17 178.08 1w1a n ALA 44 N 4.03 2.69 0.00 3.66 0.00 -1.26 -4.41 120.51 125.21 1w1a n ALA 44 Ca -0.25 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1w1a n ALA 44 Cb 0.52 -1.38 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 1.21 -0.78 0.00 0.00 0.00 -1.26 -4.25 105.19 100.12 1w1a n GLY 45 Ca 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1w1a n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1w1a n LYS 46 N 0.49 0.00 -0.01 1.61 4.76 -1.26 -0.84 118.16 122.90 1w1a n LYS 46 Ca 0.00 0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.32 1w1a n LYS 46 Cb 0.00 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.59 1w1a n LYS 46 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1w1a h GLN 47 N 0.00 -0.05 0.04 1.97 5.75 -2.01 -2.65 115.11 118.15 1w1a h GLN 47 Ca 0.00 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.25 1w1a h GLN 47 Cb 0.00 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 1w1a h GLN 47 CO 0.00 0.56 -1.33 -0.07 -2.65 0.00 0.00 178.83 175.35 1w1a h LEU 48 N -0.74 0.12 -1.30 -2.39 3.38 -1.37 -3.28 115.31 109.73 1w1a h LEU 48 Ca -0.01 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.86 1w1a h LEU 48 Cb 0.64 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1w1a h LEU 48 CO 0.01 1.13 0.51 0.78 0.09 0.00 0.00 178.44 180.96 1w1a h ASN 49 N 0.02 0.76 0.56 -0.43 4.21 -1.08 0.58 115.58 120.20 1w1a h ASN 49 Ca -0.15 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.34 1w1a h ASN 49 Cb 1.90 -0.16 0.01 0.00 -1.12 0.00 0.00 38.32 38.95 1w1a h ASN 49 CO 0.13 0.50 -0.27 0.28 -1.29 0.00 0.00 177.43 176.78 1w1a h SER 50 N 0.86 -0.63 -0.76 5.81 0.02 -1.56 -2.77 113.55 114.52 1w1a h SER 50 Ca 0.33 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.38 1w1a h SER 50 Cb 0.19 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 1w1a h SER 50 CO -0.11 -0.25 0.50 0.25 -1.14 0.00 0.00 176.83 176.08 1w1a h LEU 51 N -1.16 0.66 0.98 5.07 5.85 -1.57 -0.37 115.31 124.77 1w1a h LEU 51 Ca -0.08 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1w1a h LEU 51 Cb 0.57 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.48 1w1a h LEU 51 CO 0.13 0.41 -0.47 -0.29 -0.34 0.00 0.00 178.44 177.88 1w1a h ILE 52 N 0.74 0.00 0.00 4.05 2.10 0.14 -2.93 117.51 121.62 1w1a h ILE 52 Ca 0.34 -0.03 -0.03 0.00 1.08 0.00 0.00 64.86 66.21 1w1a h ILE 52 Cb 0.34 0.00 -0.00 0.00 -1.09 0.00 0.00 36.82 36.07 1w1a h ILE 52 CO -0.12 0.00 -0.16 -0.33 -1.08 0.00 0.00 178.15 176.46 1w1a h GLU 53 N -1.36 0.00 -0.60 2.19 5.08 -1.28 -0.74 114.58 117.87 1w1a h GLU 53 Ca -0.14 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1w1a h GLU 53 Cb 1.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 1w1a h GLU 53 CO 0.22 0.16 0.41 -0.22 -1.00 0.00 0.00 179.01 178.58 1w1a h LYS 54 N 0.00 0.30 -0.12 2.33 3.64 -0.89 -0.76 116.57 121.08 1w1a h LYS 54 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1w1a h LYS 54 Cb 0.31 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1w1a h LYS 54 CO 0.02 0.20 0.00 0.66 -2.27 0.00 0.00 179.45 178.06 1w1a n TYR 55 N -4.45 0.38 -1.45 1.91 4.02 -0.75 -4.98 117.16 111.83 1w1a n TYR 55 Ca 0.10 -0.87 -0.16 0.00 -0.01 0.00 0.00 57.90 56.97 1w1a n TYR 55 Cb 0.45 -0.19 -0.07 0.00 -0.02 0.00 0.00 39.34 39.51 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 -0.87 -5.48 -4.85 7.72 8.00 -0.29 -4.88 116.55 115.91 1w1a n ASP 56 Ca 0.16 0.39 -0.32 0.00 0.71 0.00 0.00 54.79 55.73 1w1a n ASP 56 Cb 0.68 -4.35 -0.00 0.00 -0.02 0.00 0.00 41.12 37.42 1w1a n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1w1a s ALA 57 N -2.38 3.00 0.10 2.24 0.00 -0.36 -4.76 121.76 119.60 1w1a s ALA 57 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.96 1w1a s ALA 57 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1w1a s ALA 57 CO 0.00 -0.57 0.24 -0.59 0.00 0.00 0.00 175.76 174.84 1w1a s PHE 58 N -2.84 0.11 0.00 0.00 -0.71 -1.00 -4.13 117.98 109.40 1w1a s PHE 58 Ca 0.58 -0.52 0.00 0.00 -1.04 0.00 0.00 56.93 55.95 1w1a s PHE 58 Cb -0.11 -0.00 0.00 0.00 -1.21 0.00 0.00 43.02 41.69 1w1a s PHE 58 CO 0.42 -0.59 0.14 2.48 -1.34 0.00 0.00 175.22 176.33 1w1a n TYR 59 N -0.10 0.00 -4.15 3.49 4.11 -1.26 -0.37 117.16 118.87 1w1a n TYR 59 Ca -0.15 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.60 1w1a n TYR 59 Cb 0.63 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.85 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 -0.42 2.34 0.00 -3.48 1.43 -1.26 -3.44 118.68 113.85 1w1a s LEU 60 Ca 0.00 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1w1a s LEU 60 Cb 0.00 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.88 1w1a s LEU 60 CO 0.00 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.00 1w1a n GLY 61 N 0.95 2.05 3.54 -3.19 0.00 0.14 -4.97 105.19 103.70 1w1a n GLY 61 Ca -0.19 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.83 6.17 0.00 1.61 2.47 -1.26 -4.81 114.94 118.29 1w1a s ASN 62 Ca 0.00 -0.53 0.21 0.00 0.42 0.00 0.00 52.86 52.96 1w1a s ASN 62 Cb 0.00 -2.55 1.20 0.00 -1.45 0.00 0.00 41.25 38.45 1w1a s ASN 62 CO 0.00 -1.80 1.64 0.35 -3.72 0.00 0.00 177.10 173.57 1w1a n THR 63 N 6.36 0.11 1.31 -5.21 -2.24 -1.26 -2.72 114.28 110.63 1w1a n THR 63 Ca 0.04 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 1w1a n THR 63 Cb 0.49 -0.70 0.37 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.08 1.50 -4.14 -0.78 5.02 -1.26 -4.66 118.16 112.76 1w1a n LYS 64 Ca 0.14 -0.99 -0.10 0.00 -2.02 0.00 0.00 58.31 55.34 1w1a n LYS 64 Cb 0.10 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 1w1a n LYS 64 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1w1a s GLU 65 N -2.18 0.75 -1.42 1.97 -1.05 -1.10 -5.05 118.70 110.62 1w1a s GLU 65 Ca 0.31 -1.23 -0.15 0.00 -0.15 0.00 0.00 54.97 53.76 1w1a s GLU 65 Cb 0.20 -0.16 0.04 0.00 -0.44 0.00 0.00 34.13 33.77 1w1a s GLU 65 CO 0.40 -0.02 2.18 1.63 0.95 0.00 0.00 175.26 180.40 1w1a n LYS 66 N 0.22 2.83 -4.56 -4.83 5.02 -1.26 -3.33 118.16 112.24 1w1a n LYS 66 Ca -0.14 -2.63 -0.28 0.00 -2.02 0.00 0.00 58.31 53.25 1w1a n LYS 66 Cb 0.60 -3.30 -0.14 0.00 -0.02 0.00 0.00 35.03 32.18 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 3.36 1.99 0.02 -0.18 2.01 -1.26 -0.58 115.64 121.00 1w1a s THR 67 Ca 0.48 -1.50 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1w1a s THR 67 Cb 0.13 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1w1a s THR 67 CO -0.07 0.16 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.28 1w1a s ILE 68 N -0.95 0.89 -0.21 1.82 1.01 -0.52 -0.72 121.20 122.51 1w1a s ILE 68 Ca 0.10 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1w1a s ILE 68 Cb -0.10 -0.79 0.04 0.00 0.01 0.00 0.00 42.46 41.62 1w1a s ILE 68 CO 0.04 0.07 -0.16 -0.31 0.00 0.00 0.00 174.94 174.58 1w1a s TYR 69 N -0.60 2.98 -0.12 3.97 2.02 0.78 -1.59 117.35 124.80 1w1a s TYR 69 Ca 0.01 -1.92 -0.21 0.00 -0.37 0.00 0.00 57.07 54.58 1w1a s TYR 69 Cb -0.06 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.54 1w1a s TYR 69 CO 0.00 -0.84 0.62 -0.51 -1.57 0.00 0.00 175.55 173.26 1w1a s LEU 70 N 1.22 4.26 0.12 -1.29 1.43 -1.26 -0.22 118.68 122.93 1w1a s LEU 70 Ca -0.01 0.99 0.06 0.00 -1.03 0.00 0.00 54.13 54.15 1w1a s LEU 70 Cb -0.16 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 1w1a s LEU 70 CO -0.10 -0.13 -0.15 0.42 0.23 0.00 0.00 176.35 176.62 1w1a s THR 71 N 1.07 1.41 0.05 5.49 -4.23 0.84 -2.41 115.64 117.86 1w1a s THR 71 Ca 0.32 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 1w1a s THR 71 Cb -0.16 -1.52 -0.02 0.00 1.34 0.00 0.00 72.50 72.13 1w1a s THR 71 CO 0.14 -0.34 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.40 1w1a s PHE 72 N -1.92 0.98 -0.18 3.99 0.40 0.64 -1.01 117.98 120.88 1w1a s PHE 72 Ca 0.08 -0.42 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1w1a s PHE 72 Cb -0.06 -0.57 -0.01 0.00 0.51 0.00 0.00 43.02 42.89 1w1a s PHE 72 CO 0.04 0.00 -0.10 -0.51 0.70 0.00 0.00 175.22 175.34 1w1a s ASP 73 N -1.43 4.01 -0.24 1.36 1.01 -0.70 0.74 116.67 121.42 1w1a s ASP 73 Ca -0.04 -0.40 0.02 0.00 0.71 0.00 0.00 52.55 52.84 1w1a s ASP 73 Cb -0.09 -1.65 0.06 0.00 1.01 0.00 0.00 42.92 42.25 1w1a s ASP 73 CO 0.01 0.06 -0.09 0.20 0.21 0.00 0.00 175.17 175.56 1w1a s ASN 74 N 1.00 4.13 -0.13 0.27 0.01 0.76 -4.59 114.94 116.39 1w1a s ASN 74 Ca -0.01 -1.26 0.10 0.00 -0.71 0.00 0.00 52.86 50.97 1w1a s ASN 74 Cb -0.15 -1.40 -0.15 0.00 0.41 0.00 0.00 41.25 39.97 1w1a s ASN 74 CO -0.01 -0.20 0.02 0.61 -1.51 0.00 0.00 177.10 176.01 1w1a n GLY 75 N 4.54 -0.57 3.67 0.66 0.00 -1.26 -2.37 105.19 109.85 1w1a n GLY 75 Ca -0.14 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.31 -0.20 -0.08 1.61 1.13 -1.26 -3.46 117.35 112.78 1w1a s TYR 76 Ca -0.09 -0.18 -0.03 0.00 -1.41 0.00 0.00 57.07 55.37 1w1a s TYR 76 Cb 0.04 0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 41.43 1w1a s TYR 76 CO 0.50 -1.07 0.03 -2.00 -2.51 0.00 0.00 175.55 170.50 1w1a s GLU 77 N -3.88 3.06 -0.03 -3.49 2.56 -1.26 -4.87 118.70 110.78 1w1a s GLU 77 Ca 0.10 -0.37 0.04 0.00 0.00 0.00 0.00 54.97 54.74 1w1a s GLU 77 Cb -0.03 -2.86 0.06 0.00 2.00 0.00 0.00 34.13 33.30 1w1a s GLU 77 CO 0.01 0.71 0.91 -1.71 -0.56 0.00 0.00 175.26 174.62 1w1a n ASN 78 N 2.05 1.37 0.00 -1.70 4.05 -1.26 -5.01 115.26 114.75 1w1a n ASN 78 Ca -0.18 -2.00 0.00 0.00 0.45 0.00 0.00 54.58 52.85 1w1a n ASN 78 Cb 0.54 -0.12 0.00 0.00 1.23 0.00 0.00 39.78 41.43 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 -0.53 0.58 0.00 8.20 0.00 -1.26 -4.98 105.19 107.20 1w1a n GLY 79 Ca 0.03 0.00 0.04 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 -1.98 0.00 -0.36 1.61 4.01 -1.26 -4.66 117.16 114.53 1w1a n TYR 80 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 1w1a n TYR 80 Cb 0.00 -0.07 0.24 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.00 0.90 -0.77 -0.72 2.02 -1.94 -0.89 112.91 111.52 1w1a h THR 81 Ca 0.00 -0.33 0.06 0.00 0.77 0.00 0.00 66.41 66.91 1w1a h THR 81 Cb 0.27 -0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 66.46 1w1a h THR 81 CO 0.00 0.18 0.45 -0.65 0.37 0.00 0.00 175.52 175.87 1w1a h PRO 82 N 0.98 0.80 -0.53 6.66 0.11 -1.96 0.12 132.00 138.18 1w1a h PRO 82 Ca 0.50 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.46 1w1a h PRO 82 Cb 0.52 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1w1a h PRO 82 CO -0.28 0.53 -0.10 0.87 -0.21 0.00 0.00 178.00 178.81 1w1a h LYS 83 N 0.83 0.99 -0.92 1.05 1.57 -1.59 -1.76 116.57 116.74 1w1a h LYS 83 Ca 0.34 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1w1a h LYS 83 Cb 0.19 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1w1a h LYS 83 CO -0.18 1.04 0.59 0.28 -0.57 0.00 0.00 179.45 180.61 1w1a h VAL 84 N 0.89 1.24 -0.23 0.50 2.07 -0.14 0.16 116.25 120.74 1w1a h VAL 84 Ca 0.14 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 1w1a h VAL 84 Cb 0.66 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1w1a h VAL 84 CO 0.05 0.24 -0.21 -0.07 0.02 0.00 0.00 177.57 177.60 1w1a h LEU 85 N 1.25 0.41 -0.44 2.57 3.38 -0.43 -1.33 115.31 120.72 1w1a h LEU 85 Ca 0.33 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 1w1a h LEU 85 Cb -0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1w1a h LEU 85 CO -0.07 0.63 -0.48 0.44 0.09 0.00 0.00 178.44 179.05 1w1a h ASP 86 N 0.37 0.83 -0.21 -0.43 3.32 -0.43 -1.55 116.42 118.32 1w1a h ASP 86 Ca 0.06 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 1w1a h ASP 86 Cb 0.58 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1w1a h ASP 86 CO 0.04 1.17 0.07 0.58 -1.72 0.00 0.00 179.24 179.38 1w1a h VAL 87 N 0.60 1.19 -0.33 -1.35 2.07 -0.26 0.18 116.25 118.34 1w1a h VAL 87 Ca 0.03 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1w1a h VAL 87 Cb 1.05 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1w1a h VAL 87 CO 0.10 0.19 0.19 -0.07 0.02 0.00 0.00 177.57 178.00 1w1a h LEU 88 N 0.16 0.31 -0.09 2.57 3.38 -1.23 -1.47 115.31 118.95 1w1a h LEU 88 Ca 0.07 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1w1a h LEU 88 Cb 0.23 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1w1a h LEU 88 CO -0.00 0.22 -0.15 0.50 0.09 0.00 0.00 178.44 179.10 1w1a h LYS 89 N 0.39 -0.20 -0.64 1.13 3.64 -1.05 0.13 116.57 119.97 1w1a h LYS 89 Ca 0.13 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.66 1w1a h LYS 89 Cb 0.01 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 31.77 1w1a h LYS 89 CO -0.07 -0.13 0.09 -0.22 -2.27 0.00 0.00 179.45 176.85 1w1a h LYS 90 N -0.20 0.20 -0.27 1.90 3.64 -0.13 0.18 116.57 121.88 1w1a h LYS 90 Ca 0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1w1a h LYS 90 Cb 0.32 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1w1a h LYS 90 CO -0.21 0.13 0.00 0.72 -2.27 0.00 0.00 179.45 177.82 1w1a n HIS 91 N -5.20 0.36 -3.99 1.91 8.25 -0.60 -4.93 115.22 111.02 1w1a n HIS 91 Ca 0.10 -0.18 -0.28 0.00 -0.26 0.00 0.00 57.72 57.10 1w1a n HIS 91 Cb 0.37 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 1w1a n HIS 91 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1w1a n ARG 92 N 0.39 -3.46 -4.56 -0.41 1.74 0.29 -4.97 116.66 105.67 1w1a n ARG 92 Ca 0.13 0.42 -0.32 0.00 -0.77 0.00 0.00 57.85 57.31 1w1a n ARG 92 Cb 0.29 -4.72 -0.11 0.00 -1.02 0.00 0.00 32.46 26.90 1w1a n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1w1a s VAL 93 N -3.79 3.31 -0.31 1.55 1.01 -0.27 -5.02 120.40 116.88 1w1a s VAL 93 Ca 0.18 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 1w1a s VAL 93 Cb -0.10 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1w1a s VAL 93 CO 0.89 0.39 0.20 -0.89 0.00 0.00 0.00 175.10 175.69 1w1a s THR 94 N -0.95 5.19 0.31 3.92 2.01 -1.26 -4.51 115.64 120.34 1w1a s THR 94 Ca 0.16 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.11 1w1a s THR 94 Cb -0.11 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1w1a s THR 94 CO 0.06 0.12 0.49 -0.83 -0.69 0.00 0.00 174.62 173.77 1w1a s GLY 95 N 1.72 1.30 -0.26 4.40 0.00 -1.26 -4.41 107.32 108.82 1w1a s GLY 95 Ca 0.06 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.79 1w1a s GLY 95 CO 0.10 -0.98 -0.08 -1.59 0.00 0.00 0.00 173.10 170.55 1w1a s THR 96 N -2.21 1.96 -0.33 0.90 2.01 -1.01 -1.10 115.64 115.85 1w1a s THR 96 Ca 0.38 -1.54 -0.13 0.00 0.31 0.00 0.00 61.69 60.70 1w1a s THR 96 Cb -0.09 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1w1a s THR 96 CO 0.34 -0.09 0.28 -0.36 -0.69 0.00 0.00 174.62 174.09 1w1a s PHE 97 N 1.19 3.22 -0.43 4.92 0.40 0.05 -0.26 117.98 127.07 1w1a s PHE 97 Ca -0.07 -0.09 -0.20 0.00 -0.60 0.00 0.00 56.93 55.98 1w1a s PHE 97 Cb -0.20 -2.52 0.02 0.00 0.51 0.00 0.00 43.02 40.83 1w1a s PHE 97 CO -0.06 -0.35 0.61 -0.06 0.70 0.00 0.00 175.22 176.06 1w1a s PHE 98 N 1.83 3.09 0.14 0.36 0.08 0.23 0.10 117.98 123.80 1w1a s PHE 98 Ca 0.08 -0.09 0.06 0.00 0.12 0.00 0.00 56.93 57.10 1w1a s PHE 98 Cb -0.17 -3.26 -0.04 0.00 -0.57 0.00 0.00 43.02 38.98 1w1a s PHE 98 CO 0.11 -0.83 -0.02 0.14 -0.10 0.00 0.00 175.22 174.52 1w1a s VAL 99 N 2.70 3.76 0.47 -0.44 -7.23 -1.01 -0.17 120.40 118.47 1w1a s VAL 99 Ca 0.21 -1.26 0.08 0.00 -1.81 0.00 0.00 61.98 59.21 1w1a s VAL 99 Cb -0.15 -2.83 0.03 0.00 0.56 0.00 0.00 36.38 33.99 1w1a s VAL 99 CO 0.18 0.00 0.62 0.42 -0.31 0.00 0.00 175.10 176.01 1w1a s THR 100 N -1.50 2.64 0.16 5.32 -4.23 -1.00 -1.45 115.64 115.58 1w1a s THR 100 Ca 0.26 -1.05 -0.15 0.00 -1.18 0.00 0.00 61.69 59.56 1w1a s THR 100 Cb -0.10 -2.70 0.03 0.00 1.34 0.00 0.00 72.50 71.07 1w1a s THR 100 CO 0.18 0.00 1.81 1.23 -0.54 0.00 0.00 174.62 177.30 1w1a h GLY 101 N 0.53 0.65 1.02 3.99 0.00 -0.27 -1.98 103.07 107.01 1w1a h GLY 101 Ca -0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1w1a h GLY 101 CO 0.45 0.25 0.51 0.84 0.00 0.00 0.00 176.54 178.59 1w1a h HIS 102 N 0.61 1.15 -0.28 5.60 -0.00 -1.85 -1.87 115.15 118.52 1w1a h HIS 102 Ca 0.17 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 1w1a h HIS 102 Cb -0.04 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 26.98 1w1a h HIS 102 CO -0.04 0.77 0.10 0.35 -0.00 0.00 0.00 177.93 179.12 1w1a h PHE 103 N 1.19 0.44 -0.32 5.26 3.57 -1.50 -1.08 116.94 124.50 1w1a h PHE 103 Ca 0.31 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1w1a h PHE 103 Cb -0.03 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1w1a h PHE 103 CO 0.00 0.45 0.19 0.28 -2.23 0.00 0.00 178.31 177.00 1w1a h VAL 104 N 0.30 1.11 -0.13 1.41 2.07 -1.14 0.53 116.25 120.40 1w1a h VAL 104 Ca 0.09 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1w1a h VAL 104 Cb 0.21 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1w1a h VAL 104 CO -0.01 0.11 -0.21 0.11 0.02 0.00 0.00 177.57 177.59 1w1a h LYS 105 N 0.40 0.22 0.00 1.57 1.57 -1.29 -2.98 116.57 116.07 1w1a h LYS 105 Ca 0.11 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 1w1a h LYS 105 Cb 0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1w1a h LYS 105 CO -0.02 0.43 -1.08 0.22 -0.57 0.00 0.00 179.45 178.44 1w1a h ASP 106 N 0.20 0.00 -2.14 0.86 1.82 -0.87 -3.40 116.42 112.89 1w1a h ASP 106 Ca 0.04 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.14 1w1a h ASP 106 Cb 0.50 0.00 -0.41 0.00 0.68 0.00 0.00 39.33 40.10 1w1a h ASP 106 CO 0.03 0.49 -0.91 0.00 -1.61 0.00 0.00 179.24 177.25 1w1a n GLN 107 N -2.98 2.08 -0.24 0.28 1.13 0.15 -4.93 117.38 112.88 1w1a n GLN 107 Ca -0.05 -4.12 0.03 0.00 -1.94 0.00 0.00 57.00 50.92 1w1a n GLN 107 Cb 0.78 -1.96 0.15 0.00 0.11 0.00 0.00 30.24 29.32 1w1a n GLN 107 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1w1a h PRO 108 N 3.10 0.45 -0.30 -1.09 0.11 -1.75 -1.82 132.00 130.70 1w1a h PRO 108 Ca 0.12 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.12 1w1a h PRO 108 Cb 0.74 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 1w1a h PRO 108 CO 0.66 0.30 -0.17 1.96 -0.21 0.00 0.00 178.00 180.55 1w1a h GLN 109 N 0.47 0.54 -0.30 1.05 4.20 -1.91 0.51 115.11 119.66 1w1a h GLN 109 Ca 0.36 -0.17 -0.17 0.00 0.06 0.00 0.00 58.65 58.73 1w1a h GLN 109 Cb 0.49 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1w1a h GLN 109 CO -0.34 0.69 -0.48 -0.07 -0.67 0.00 0.00 178.83 177.95 1w1a h LEU 110 N 0.49 0.94 -0.24 1.46 3.38 -1.84 -0.14 115.31 119.36 1w1a h LEU 110 Ca 0.08 -0.52 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1w1a h LEU 110 Cb 0.57 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1w1a h LEU 110 CO 0.04 1.28 0.01 0.40 0.09 0.00 0.00 178.44 180.25 1w1a h ILE 111 N 0.64 0.84 -0.79 1.22 1.08 -1.01 0.10 117.51 119.58 1w1a h ILE 111 Ca 0.03 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1w1a h ILE 111 Cb 1.08 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.55 1w1a h ILE 111 CO 0.11 0.01 0.45 0.50 -0.69 0.00 0.00 178.15 178.53 1w1a h LYS 112 N 0.08 1.08 -0.59 2.37 1.63 -0.68 -2.22 116.57 118.25 1w1a h LYS 112 Ca 0.11 -0.11 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 1w1a h LYS 112 Cb 0.14 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 1w1a h LYS 112 CO -0.18 0.78 0.10 0.00 -3.45 0.00 0.00 179.45 176.70 1w1a h ARG 113 N 1.10 0.96 -0.45 1.90 3.08 -0.07 0.19 114.38 121.10 1w1a h ARG 113 Ca 0.28 -0.25 0.08 0.00 0.07 0.00 0.00 59.98 60.16 1w1a h ARG 113 Cb -0.00 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 29.86 1w1a h ARG 113 CO -0.05 0.91 0.03 0.52 -1.07 0.00 0.00 179.97 180.31 1w1a h MET 114 N 0.87 0.14 0.00 0.04 2.86 -0.30 0.41 114.93 118.95 1w1a h MET 114 Ca 0.18 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1w1a h MET 114 Cb 0.41 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1w1a h MET 114 CO 0.01 0.09 -0.00 1.03 1.06 0.00 0.00 176.91 179.10 1w1a h SER 115 N 0.15 -0.00 -0.70 1.22 0.87 -1.17 -0.85 113.55 113.06 1w1a h SER 115 Ca 0.22 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1w1a h SER 115 Cb 0.31 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1w1a h SER 115 CO -0.34 0.43 0.45 0.44 -0.53 0.00 0.00 176.83 177.28 1w1a h ASP 116 N -0.43 0.82 -0.27 6.23 3.32 -0.30 -2.82 116.42 122.97 1w1a h ASP 116 Ca -0.00 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1w1a h ASP 116 Cb 0.43 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1w1a h ASP 116 CO 0.00 0.61 0.05 -0.62 -1.72 0.00 0.00 179.24 177.56 1w1a n GLU 117 N -4.42 2.38 -1.00 3.56 1.02 0.14 -4.89 120.64 117.43 1w1a n GLU 117 Ca 0.07 -1.27 -0.00 0.00 -0.02 0.00 0.00 57.16 55.95 1w1a n GLU 117 Cb 0.05 -1.75 -0.00 0.00 -0.02 0.00 0.00 31.44 29.72 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 0.17 0.48 3.98 0.62 0.00 -1.06 -5.00 105.19 104.38 1w1a n GLY 118 Ca 0.14 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.97 1.92 -0.08 1.61 3.76 -0.33 -4.82 115.29 115.37 1w1a s HIS 119 Ca 0.00 -0.12 0.02 0.00 -0.15 0.00 0.00 55.06 54.81 1w1a s HIS 119 Cb 0.00 -3.06 -0.02 0.00 1.11 0.00 0.00 32.58 30.60 1w1a s HIS 119 CO 0.00 -1.62 -0.13 0.42 -0.85 0.00 0.00 174.74 172.56 1w1a s ILE 120 N -3.15 3.13 -0.29 0.60 1.01 -0.26 -4.60 121.20 117.64 1w1a s ILE 120 Ca 0.65 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 1w1a s ILE 120 Cb -0.07 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1w1a s ILE 120 CO 0.44 0.57 0.11 -0.63 0.00 0.00 0.00 174.94 175.43 1w1a s ILE 121 N -0.33 4.37 0.58 2.92 1.01 -1.26 -0.77 121.20 127.71 1w1a s ILE 121 Ca 0.03 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1w1a s ILE 121 Cb -0.13 -3.19 0.06 0.00 0.01 0.00 0.00 42.46 39.22 1w1a s ILE 121 CO 0.02 0.14 0.80 -0.83 0.00 0.00 0.00 174.94 175.07 1w1a s GLY 122 N 1.58 1.82 -0.21 6.18 0.00 0.12 -4.74 107.32 112.06 1w1a s GLY 122 Ca 0.05 -1.62 -0.07 0.00 0.00 0.00 0.00 44.72 43.07 1w1a s GLY 122 CO 0.05 -1.26 0.07 0.21 0.00 0.00 0.00 173.10 172.17 1w1a s ASN 123 N -4.53 5.42 -0.15 1.64 3.84 0.65 -2.42 114.94 119.39 1w1a s ASN 123 Ca 0.60 -0.05 0.18 0.00 0.21 0.00 0.00 52.86 53.80 1w1a s ASN 123 Cb -0.08 -1.95 0.34 0.00 -0.55 0.00 0.00 41.25 39.01 1w1a s ASN 123 CO 0.39 0.08 1.20 1.57 -2.79 0.00 0.00 177.10 177.55 1w1a n HIS 124 N 4.19 0.16 -0.67 0.43 -0.00 -0.53 -1.14 115.22 117.68 1w1a n HIS 124 Ca -0.16 -1.04 0.02 0.00 -0.00 0.00 0.00 57.72 56.54 1w1a n HIS 124 Cb 0.52 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.99 30.31 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 -1.27 -3.62 0.19 0.26 3.41 -1.26 -4.28 113.62 107.06 1w1a n SER 125 Ca 0.17 0.77 -0.14 0.00 -0.26 0.00 0.00 58.87 59.42 1w1a n SER 125 Cb 0.69 -1.77 -0.08 0.00 -0.26 0.00 0.00 64.21 62.79 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 -0.10 -0.44 -0.08 7.33 3.04 -1.46 -2.77 116.94 122.45 1w1a h PHE 126 Ca -0.02 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1w1a h PHE 126 Cb 0.47 0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.12 1w1a h PHE 126 CO 0.03 -0.14 0.00 0.72 -2.02 0.00 0.00 178.31 176.90 1w1a n HIS 127 N -5.20 0.08 -3.59 0.41 8.25 -1.26 -0.19 115.22 113.72 1w1a n HIS 127 Ca -0.10 -0.04 -0.25 0.00 -0.26 0.00 0.00 57.72 57.07 1w1a n HIS 127 Cb 0.26 0.00 0.06 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 1.20 -2.65 -2.08 4.41 -0.00 -1.25 -4.98 115.22 109.88 1w1a n HIS 128 Ca 0.15 0.93 -0.28 0.00 0.46 0.00 0.00 57.72 58.99 1w1a n HIS 128 Cb 0.56 -4.72 0.12 0.00 -0.12 0.00 0.00 29.99 25.84 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 -6.31 1.50 -0.52 1.57 0.04 -1.26 -4.85 135.00 125.17 1w1a s PRO 129 Ca 0.57 -0.34 -0.27 0.00 0.04 0.00 0.00 61.00 60.99 1w1a s PRO 129 Cb -0.26 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1w1a s PRO 129 CO 0.70 -1.78 1.09 0.34 0.04 0.00 0.00 177.00 177.39 1w1a s ASP 130 N -4.70 6.51 0.60 6.66 -1.08 -1.26 -4.46 116.67 118.94 1w1a s ASP 130 Ca 0.66 0.17 0.40 0.00 -0.52 0.00 0.00 52.55 53.27 1w1a s ASP 130 Cb -0.08 -2.52 2.13 0.00 -1.46 0.00 0.00 42.92 40.99 1w1a s ASP 130 CO 0.49 -1.29 2.22 -0.07 0.52 0.00 0.00 175.17 177.04 1w1a h LEU 131 N 11.30 0.00 0.00 -1.34 3.38 -1.88 -2.21 115.31 124.56 1w1a h LEU 131 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 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 1.12 0.00 0.00 0.35 0.09 0.00 0.00 178.44 180.00 1w1a n THR 132 N -2.95 0.00 -0.04 0.22 -2.24 -1.26 -1.91 114.28 106.09 1w1a n THR 132 Ca -0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1w1a n THR 132 Cb 0.09 -0.18 0.04 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.68 0.99 -4.26 4.28 -2.24 -0.83 -5.01 114.28 106.53 1w1a n THR 133 Ca 0.09 -1.00 -0.29 0.00 -2.27 0.00 0.00 64.05 60.58 1w1a n THR 133 Cb 0.04 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.00 1.99 0.18 -0.78 -0.14 -0.80 -5.07 119.74 114.12 1w1a s LYS 134 Ca 0.06 -1.10 -0.11 0.00 -1.36 0.00 0.00 55.97 53.46 1w1a s LYS 134 Cb 0.03 -2.22 -0.07 0.00 -1.68 0.00 0.00 37.83 33.89 1w1a s LYS 134 CO 0.04 0.49 0.54 0.95 -0.76 0.00 0.00 175.35 176.61 1w1a s THR 135 N -1.21 4.91 0.32 2.17 -4.23 -1.26 -4.80 115.64 111.55 1w1a s THR 135 Ca 0.20 0.61 0.15 0.00 -1.18 0.00 0.00 61.69 61.48 1w1a s THR 135 Cb -0.11 -3.67 0.33 0.00 1.34 0.00 0.00 72.50 70.40 1w1a s THR 135 CO 0.12 0.08 1.42 0.00 -0.54 0.00 0.00 174.62 175.71 1w1a n ALA 136 N 0.33 0.82 0.10 3.99 0.00 -1.26 0.13 120.51 124.62 1w1a n ALA 136 Ca -0.03 0.93 -0.13 0.00 0.00 0.00 0.00 53.44 54.21 1w1a n ALA 136 Cb 0.52 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 1w1a n ALA 136 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1w1a h ASP 137 N 0.00 -0.17 0.08 0.00 1.82 -2.00 -0.38 116.42 115.77 1w1a h ASP 137 Ca 0.72 -0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 57.28 1w1a h ASP 137 Cb 1.82 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.88 1w1a h ASP 137 CO -0.73 -0.04 -0.04 1.56 -1.61 0.00 0.00 179.24 178.38 1w1a h GLN 138 N -0.29 -0.11 -0.66 0.28 4.20 0.74 -2.75 115.11 116.52 1w1a h GLN 138 Ca -0.02 0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.84 1w1a h GLN 138 Cb 0.23 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 27.92 1w1a h GLN 138 CO 0.03 -0.02 -0.01 0.82 -0.67 0.00 0.00 178.83 178.98 1w1a h ILE 139 N -0.17 0.44 -0.63 2.54 2.04 -0.22 0.26 117.51 121.77 1w1a h ILE 139 Ca -0.01 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1w1a h ILE 139 Cb 0.14 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.49 1w1a h ILE 139 CO 0.02 0.02 0.37 -0.61 0.00 0.00 0.00 178.15 177.95 1w1a h GLN 140 N 0.10 0.69 -0.28 2.37 4.15 -0.80 -2.01 115.11 119.33 1w1a h GLN 140 Ca 0.35 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.67 1w1a h GLN 140 Cb 0.57 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1w1a h GLN 140 CO -0.58 0.45 -0.05 0.22 -1.93 0.00 0.00 178.83 176.94 1w1a h ASP 141 N 0.71 0.53 -0.95 -0.69 3.58 -0.90 0.91 116.42 119.62 1w1a h ASP 141 Ca 0.27 -0.36 0.19 0.00 0.42 0.00 0.00 57.03 57.55 1w1a h ASP 141 Cb 0.10 -0.14 -0.11 0.00 1.72 0.00 0.00 39.33 40.90 1w1a h ASP 141 CO -0.14 0.76 0.54 -0.33 -2.88 0.00 0.00 179.24 177.19 1w1a h GLU 142 N 0.29 0.64 0.00 0.28 4.39 -0.60 0.36 114.58 119.94 1w1a h GLU 142 Ca 0.07 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1w1a h GLU 142 Cb 0.52 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1w1a h GLU 142 CO 0.03 0.42 -0.47 -0.07 -1.16 0.00 0.00 179.01 177.76 1w1a h LEU 143 N 0.66 0.01 -1.12 1.33 3.38 -1.16 -0.81 115.31 117.60 1w1a h LEU 143 Ca 0.55 -0.82 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1w1a h LEU 143 Cb 0.89 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 1w1a h LEU 143 CO -0.41 1.19 0.60 -0.78 0.09 0.00 0.00 178.44 179.13 1w1a h ASP 144 N -0.99 1.00 -0.78 -0.43 3.58 -0.67 -2.33 116.42 115.81 1w1a h ASP 144 Ca -0.13 -0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.40 1w1a h ASP 144 Cb 1.12 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.88 1w1a h ASP 144 CO -0.07 0.70 0.51 0.77 -2.88 0.00 0.00 179.24 178.27 1w1a h SER 145 N 1.17 0.65 0.27 2.28 4.64 -1.09 0.14 113.55 121.61 1w1a h SER 145 Ca 0.35 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 1w1a h SER 145 Cb -0.03 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1w1a h SER 145 CO -0.10 0.39 -0.13 0.58 -0.87 0.00 0.00 176.83 176.71 1w1a h VAL 146 N 0.72 0.77 -0.96 0.95 2.07 -1.55 -2.41 116.25 115.85 1w1a h VAL 146 Ca 0.36 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1w1a h VAL 146 Cb 0.43 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1w1a h VAL 146 CO -0.13 0.12 0.63 0.78 0.02 0.00 0.00 177.57 178.98 1w1a h ASN 147 N -0.67 1.04 -0.33 0.57 2.35 -1.28 -1.23 115.58 116.04 1w1a h ASN 147 Ca -0.04 -0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.77 1w1a h ASN 147 Cb 0.47 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.53 1w1a h ASN 147 CO 0.06 0.71 -0.12 -0.08 -1.65 0.00 0.00 177.43 176.35 1w1a h GLU 148 N 1.20 -0.05 -0.39 0.81 4.57 -0.68 0.24 114.58 120.28 1w1a h GLU 148 Ca 0.38 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.47 1w1a h GLU 148 Cb 0.03 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1w1a h GLU 148 CO -0.12 -0.03 -0.17 1.49 -1.18 0.00 0.00 179.01 179.00 1w1a h GLU 149 N -0.05 0.73 -0.26 1.92 4.57 -0.86 -1.70 114.58 118.92 1w1a h GLU 149 Ca 0.16 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 58.03 1w1a h GLU 149 Cb 0.30 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1w1a h GLU 149 CO -0.36 0.85 -0.04 0.28 -1.18 0.00 0.00 179.01 178.55 1w1a h VAL 150 N 0.65 1.28 -0.75 0.32 2.07 -0.55 -2.57 116.25 116.70 1w1a h VAL 150 Ca 0.10 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1w1a h VAL 150 Cb 0.65 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1w1a h VAL 150 CO 0.05 0.32 0.43 0.22 0.02 0.00 0.00 177.57 178.61 1w1a h TYR 151 N 0.25 1.00 -0.94 1.57 5.03 -0.44 0.49 116.97 123.93 1w1a h TYR 151 Ca 0.07 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.44 1w1a h TYR 151 Cb 0.50 -0.33 -0.06 0.00 1.55 0.00 0.00 36.73 38.39 1w1a h TYR 151 CO 0.05 0.69 0.61 -0.22 -1.32 0.00 0.00 178.16 177.96 1w1a h LYS 152 N 1.04 1.03 0.12 1.82 3.64 -1.04 0.33 116.57 123.50 1w1a h LYS 152 Ca 0.27 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.42 1w1a h LYS 152 Cb -0.00 -0.23 0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1w1a h LYS 152 CO -0.05 0.68 -0.73 0.82 -2.27 0.00 0.00 179.45 177.90 1w1a h ILE 153 N 1.06 1.52 0.00 2.00 2.04 -0.81 -3.41 117.51 119.92 1w1a h ILE 153 Ca 0.41 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.77 1w1a h ILE 153 Cb 0.22 3.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 1w1a h ILE 153 CO -0.16 0.70 -1.67 0.35 0.00 0.00 0.00 178.15 177.36 1w1a n THR 154 N -4.19 0.00 -0.92 -0.27 -2.24 0.16 -4.93 114.28 101.89 1w1a n THR 154 Ca -0.14 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1w1a n THR 154 Cb 0.77 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.39 0.40 3.46 3.38 0.00 0.11 -4.96 105.19 108.97 1w1a n GLY 155 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.68 1.76 -0.25 1.61 1.02 -1.26 -5.04 119.74 116.90 1w1a s LYS 156 Ca 0.00 -2.03 -0.09 0.00 0.02 0.00 0.00 55.97 53.88 1w1a s LYS 156 Cb 0.00 -0.66 0.11 0.00 -0.52 0.00 0.00 37.83 36.76 1w1a s LYS 156 CO 0.00 -0.35 0.54 -1.14 -0.92 0.00 0.00 175.35 173.48 1w1a s GLN 157 N -3.82 0.46 1.00 1.68 0.74 -1.26 -4.07 119.66 114.39 1w1a s GLN 157 Ca 0.30 1.24 -0.15 0.00 0.05 0.00 0.00 55.36 56.80 1w1a s GLN 157 Cb 0.06 0.58 0.19 0.00 1.10 0.00 0.00 33.01 34.94 1w1a s GLN 157 CO 0.15 -0.22 1.20 -0.51 -0.55 0.00 0.00 175.29 175.35 1w1a s ASP 158 N 2.69 2.76 0.53 6.67 1.01 -1.26 -5.00 116.67 124.07 1w1a s ASP 158 Ca -0.04 0.62 -0.22 0.00 0.71 0.00 0.00 52.55 53.63 1w1a s ASP 158 Cb -0.12 -0.92 -0.05 0.00 1.01 0.00 0.00 42.92 42.84 1w1a s ASP 158 CO -0.16 -2.99 1.30 0.20 0.21 0.00 0.00 175.17 173.74 1w1a s ASN 159 N -4.33 5.43 -0.50 0.27 0.01 -1.26 -4.88 114.94 109.69 1w1a s ASN 159 Ca 0.69 2.63 -0.28 0.00 -0.71 0.00 0.00 52.86 55.19 1w1a s ASN 159 Cb -0.09 -2.62 -0.00 0.00 0.41 0.00 0.00 41.25 38.94 1w1a s ASN 159 CO 0.54 -1.45 1.61 -0.76 -1.51 0.00 0.00 177.10 175.53 1w1a s LEU 160 N -3.49 3.42 -0.04 0.60 1.02 -1.26 -4.93 118.68 114.00 1w1a s LEU 160 Ca 0.71 0.59 0.07 0.00 0.02 0.00 0.00 54.13 55.52 1w1a s LEU 160 Cb -0.37 -3.09 -0.01 0.00 0.02 0.00 0.00 46.19 42.73 1w1a s LEU 160 CO 0.43 -1.83 -0.24 -0.31 0.02 0.00 0.00 176.35 174.42 1w1a s TYR 161 N 6.88 2.25 -0.02 0.29 2.02 -1.26 -0.22 117.35 127.30 1w1a s TYR 161 Ca 0.63 -0.55 0.04 0.00 -0.37 0.00 0.00 57.07 56.82 1w1a s TYR 161 Cb -0.14 -1.47 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 1w1a s TYR 161 CO 0.27 -0.12 -0.14 -1.17 -1.57 0.00 0.00 175.55 172.81 1w1a s LEU 162 N -0.36 1.95 -0.26 -1.29 2.96 0.94 -0.25 118.68 122.38 1w1a s LEU 162 Ca 0.03 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1w1a s LEU 162 Cb -0.11 -0.79 0.07 0.00 0.50 0.00 0.00 46.19 45.86 1w1a s LEU 162 CO 0.01 0.15 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.55 1w1a s ARG 163 N -0.14 1.69 0.24 1.98 3.52 -0.29 -0.42 118.95 125.54 1w1a s ARG 163 Ca 0.01 -1.17 -0.31 0.00 -0.13 0.00 0.00 55.73 54.13 1w1a s ARG 163 Cb -0.08 -2.69 -0.14 0.00 -1.56 0.00 0.00 34.95 30.48 1w1a s ARG 163 CO 0.00 -0.65 1.32 -2.30 -0.81 0.00 0.00 175.30 172.87 1w1a n PRO 164 N 4.58 1.83 -1.83 5.12 -0.02 -1.26 -4.47 135.00 138.95 1w1a n PRO 164 Ca -0.10 0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 61.65 1w1a n PRO 164 Cb 0.43 -2.25 0.05 0.00 -0.02 0.00 0.00 33.50 31.71 1w1a n PRO 164 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1w1a s PRO 165 N -0.60 2.92 0.00 0.52 0.02 -1.26 -1.69 135.00 134.92 1w1a s PRO 165 Ca 0.67 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1w1a s PRO 165 Cb -0.68 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 31.78 1w1a s PRO 165 CO 0.52 -1.32 0.00 0.54 -0.33 0.00 0.00 177.00 176.41 1w1a n ARG 166 N -1.43 -1.34 -1.06 5.54 1.74 -1.26 -1.67 116.66 117.19 1w1a n ARG 166 Ca 0.13 0.24 -0.02 0.00 -0.77 0.00 0.00 57.85 57.43 1w1a n ARG 166 Cb 0.47 -4.06 -0.01 0.00 -1.02 0.00 0.00 32.46 27.84 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 0.10 0.40 3.73 -0.13 0.00 -0.68 -4.76 105.19 103.85 1w1a n GLY 167 Ca 0.00 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.59 5.21 0.29 1.61 1.01 -0.67 -0.40 120.40 125.87 1w1a s VAL 168 Ca 0.00 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 1w1a s VAL 168 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1w1a s VAL 168 CO 0.00 0.36 0.39 2.22 0.00 0.00 0.00 175.10 178.06 1w1a n PHE 169 N 3.55 -1.22 -3.94 5.22 -1.74 0.11 -4.58 117.46 114.86 1w1a n PHE 169 Ca -0.09 -1.95 -0.09 0.00 -0.56 0.00 0.00 57.45 54.77 1w1a n PHE 169 Cb 0.52 0.44 -0.05 0.00 1.52 0.00 0.00 39.48 41.91 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 -2.78 -0.14 0.29 5.98 1.04 -1.26 0.11 113.70 116.93 1w1a s SER 170 Ca 0.24 -0.82 -0.03 0.00 0.48 0.00 0.00 55.95 55.83 1w1a s SER 170 Cb -0.01 0.61 0.39 0.00 0.10 0.00 0.00 66.02 67.11 1w1a s SER 170 CO 0.17 -1.16 1.96 -0.08 0.98 0.00 0.00 173.24 175.11 1w1a h GLU 171 N 2.21 1.16 0.08 4.02 4.81 -1.74 -0.77 114.58 124.35 1w1a h GLU 171 Ca -0.25 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1w1a h GLU 171 Cb 1.25 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1w1a h GLU 171 CO 0.34 0.76 -0.14 -0.92 -0.73 0.00 0.00 179.01 178.32 1w1a h TYR 172 N 1.19 -0.37 -0.15 0.92 3.20 -1.11 0.48 116.97 121.13 1w1a h TYR 172 Ca 0.32 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.21 1w1a h TYR 172 Cb -0.14 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1w1a h TYR 172 CO -0.00 -0.22 0.07 0.28 -1.64 0.00 0.00 178.16 176.65 1w1a h VAL 173 N -0.28 0.99 0.46 1.81 2.07 -1.67 0.21 116.25 119.84 1w1a h VAL 173 Ca 0.02 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1w1a h VAL 173 Cb 0.30 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1w1a h VAL 173 CO -0.08 0.03 -0.29 -0.07 0.02 0.00 0.00 177.57 177.17 1w1a h LEU 174 N 0.15 -0.73 -0.33 2.57 3.38 -1.05 0.46 115.31 119.75 1w1a h LEU 174 Ca 0.06 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.15 1w1a h LEU 174 Cb 0.02 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1w1a h LEU 174 CO -0.05 -0.46 -0.15 0.50 0.09 0.00 0.00 178.44 178.37 1w1a h LYS 175 N -0.72 -0.09 -0.61 1.13 3.64 -0.73 0.22 116.57 119.41 1w1a h LYS 175 Ca -0.05 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1w1a h LYS 175 Cb 0.59 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1w1a h LYS 175 CO 0.05 -0.06 0.13 1.49 -2.27 0.00 0.00 179.45 178.79 1w1a h GLU 176 N -0.09 0.98 -0.03 1.90 4.57 -0.44 -1.60 114.58 119.87 1w1a h GLU 176 Ca 0.17 -0.24 -0.14 0.00 -1.18 0.00 0.00 59.36 57.97 1w1a h GLU 176 Cb 0.35 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1w1a h GLU 176 CO -0.39 0.91 -0.62 1.79 -1.18 0.00 0.00 179.01 179.52 1w1a h THR 177 N 0.89 1.42 -0.24 0.32 1.35 -0.57 -2.31 112.91 113.78 1w1a h THR 177 Ca 0.19 -2.06 -0.10 0.00 -0.55 0.00 0.00 66.41 63.88 1w1a h THR 177 Cb 0.37 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 1w1a h THR 177 CO 0.00 0.60 -0.29 0.50 -0.25 0.00 0.00 175.52 176.09 1w1a h LYS 178 N 0.08 0.47 0.00 4.72 3.64 -0.80 0.15 116.57 124.83 1w1a h LYS 178 Ca -0.01 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 1w1a h LYS 178 Cb 1.11 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1w1a h LYS 178 CO 0.09 0.71 -0.34 -0.09 -2.27 0.00 0.00 179.45 177.55 1w1a h ARG 179 N 0.41 0.00 -0.00 1.90 2.43 -0.96 -1.68 114.38 116.48 1w1a h ARG 179 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1w1a h ARG 179 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1w1a h ARG 179 CO 0.05 0.34 -0.04 1.28 -1.51 0.00 0.00 179.97 180.09 1w1a n LEU 180 N -3.68 0.36 0.00 3.80 4.77 -0.63 -4.89 117.00 116.73 1w1a n LEU 180 Ca -0.01 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1w1a n LEU 180 Cb 0.45 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1w1a n LEU 180 CO 0.36 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1w1a n GLY 181 N 1.18 0.72 3.81 -0.72 0.00 -0.63 -5.08 105.19 104.48 1w1a n GLY 181 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.10 3.72 -0.38 1.61 1.51 -0.05 -4.65 117.35 117.01 1w1a s TYR 182 Ca 0.00 1.36 -0.14 0.00 -1.01 0.00 0.00 57.07 57.28 1w1a s TYR 182 Cb 0.00 -2.59 0.01 0.00 -0.11 0.00 0.00 41.96 39.27 1w1a s TYR 182 CO 0.00 0.43 0.29 -1.14 -1.11 0.00 0.00 175.55 174.02 1w1a s GLN 183 N -1.66 3.19 -0.19 -0.62 2.00 0.69 -4.10 119.66 118.97 1w1a s GLN 183 Ca 0.38 -0.85 -0.27 0.00 -2.00 0.00 0.00 55.36 52.62 1w1a s GLN 183 Cb -0.18 -3.91 -0.00 0.00 0.80 0.00 0.00 33.01 29.71 1w1a s GLN 183 CO 0.21 -0.64 0.93 0.99 -0.50 0.00 0.00 175.29 176.29 1w1a s THR 184 N 1.73 4.79 -0.19 -0.34 2.01 -1.26 -0.04 115.64 122.35 1w1a s THR 184 Ca 0.06 1.83 -0.02 0.00 0.31 0.00 0.00 61.69 63.87 1w1a s THR 184 Cb -0.18 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 1w1a s THR 184 CO 0.10 -0.06 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.21 1w1a s VAL 185 N 2.55 3.22 0.00 3.82 1.01 0.44 -2.38 120.40 129.07 1w1a s VAL 185 Ca 0.42 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1w1a s VAL 185 Cb -0.16 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1w1a s VAL 185 CO 0.11 0.47 0.00 0.49 0.00 0.00 0.00 175.10 176.16 1w1a n PHE 186 N 4.33 0.00 -3.99 5.22 3.72 0.50 -4.49 117.46 122.74 1w1a n PHE 186 Ca -0.18 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.12 1w1a n PHE 186 Cb 0.51 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.01 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 2.82 0.39 0.00 1.38 -2.14 -1.26 -4.73 118.94 115.40 1w1a s TRP 187 Ca 0.00 -0.76 0.00 0.00 2.66 0.00 0.00 56.10 58.00 1w1a s TRP 187 Cb 0.00 0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.59 1w1a s TRP 187 CO 0.00 -1.04 0.13 -1.13 -2.66 0.00 0.00 176.95 172.25 1w1a n SER 188 N -0.52 0.27 -3.69 -2.66 3.41 -0.22 -4.83 113.62 105.38 1w1a n SER 188 Ca -0.02 -0.80 -0.16 0.00 -0.26 0.00 0.00 58.87 57.63 1w1a n SER 188 Cb 0.62 0.09 -0.16 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.09 -0.19 0.18 -3.33 1.01 -1.03 -4.64 120.40 112.32 1w1a s VAL 189 Ca 0.00 0.32 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 1w1a s VAL 189 Cb 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.17 1w1a s VAL 189 CO 0.00 0.13 0.55 0.00 0.00 0.00 0.00 175.10 175.78 1w1a s ALA 190 N 1.97 -1.22 0.29 5.51 0.00 -1.26 -0.72 121.76 126.33 1w1a s ALA 190 Ca -0.00 0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.84 1w1a s ALA 190 Cb -0.12 0.84 0.06 0.00 0.00 0.00 0.00 23.12 23.89 1w1a s ALA 190 CO -0.05 -0.79 0.86 -0.59 0.00 0.00 0.00 175.76 175.19 1w1a s PHE 191 N -3.82 0.03 -0.93 0.00 -0.71 -1.26 -5.07 117.98 106.23 1w1a s PHE 191 Ca 0.05 -0.57 -0.24 0.00 -1.04 0.00 0.00 56.93 55.14 1w1a s PHE 191 Cb -0.01 0.76 0.05 0.00 -1.21 0.00 0.00 43.02 42.62 1w1a s PHE 191 CO -0.07 -1.28 1.36 0.08 -1.34 0.00 0.00 175.22 173.98 1w1a s VAL 192 N -2.63 3.95 -0.11 -2.49 1.01 -1.26 -4.66 120.40 114.22 1w1a s VAL 192 Ca 0.16 -0.53 0.17 0.00 0.00 0.00 0.00 61.98 61.79 1w1a s VAL 192 Cb -0.04 -4.99 0.40 0.00 0.00 0.00 0.00 36.38 31.75 1w1a s VAL 192 CO 0.08 -1.87 1.19 -0.90 0.00 0.00 0.00 175.10 173.60 1w1a n ASP 193 N 8.78 1.38 0.00 3.32 5.75 -1.26 -4.68 116.55 129.84 1w1a n ASP 193 Ca 0.24 -3.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.01 1w1a n ASP 193 Cb 0.50 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 -0.42 0.00 -3.05 2.11 4.27 -1.26 -3.94 117.44 115.15 1w1a n TRP 194 Ca 0.13 -0.18 -0.44 0.00 -3.89 0.00 0.00 57.50 53.11 1w1a n TRP 194 Cb 0.88 -0.02 -0.04 0.00 -1.36 0.00 0.00 31.31 30.77 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 -0.37 3.18 0.37 -2.67 1.02 -1.26 -4.91 119.74 115.10 1w1a s LYS 195 Ca 0.00 -1.36 0.05 0.00 0.02 0.00 0.00 55.97 54.67 1w1a s LYS 195 Cb 0.00 -4.36 0.72 0.00 -0.52 0.00 0.00 37.83 33.66 1w1a s LYS 195 CO 0.00 -1.62 1.99 0.82 -0.92 0.00 0.00 175.35 175.62 1w1a h ILE 196 N 5.84 1.15 -0.00 2.17 1.08 -1.94 -2.38 117.51 123.42 1w1a h ILE 196 Ca -0.20 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 1w1a h ILE 196 Cb 1.07 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 1w1a h ILE 196 CO 1.10 0.17 -0.00 -0.46 -0.69 0.00 0.00 178.15 178.26 1w1a n ASN 197 N -4.41 0.01 -3.09 1.72 2.04 -1.26 -4.02 115.26 106.25 1w1a n ASN 197 Ca 0.04 -0.11 -0.19 0.00 -0.44 0.00 0.00 54.58 53.87 1w1a n ASN 197 Cb 0.11 -0.29 -0.03 0.00 -2.53 0.00 0.00 39.78 37.03 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 -1.29 -0.31 -4.54 0.53 5.15 -0.90 -5.07 115.26 108.82 1w1a n ASN 198 Ca 0.14 -2.94 -0.41 0.00 -0.60 0.00 0.00 54.58 50.77 1w1a n ASN 198 Cb 0.25 -0.07 -0.03 0.00 -0.53 0.00 0.00 39.78 39.40 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 -1.11 3.36 0.55 1.20 -0.21 -1.17 -4.79 119.66 117.49 1w1a s GLN 199 Ca 0.35 -0.75 0.37 0.00 0.02 0.00 0.00 55.36 55.35 1w1a s GLN 199 Cb 0.23 -4.69 1.94 0.00 1.00 0.00 0.00 33.01 31.49 1w1a s GLN 199 CO -0.12 -2.11 2.12 0.87 -2.12 0.00 0.00 175.29 173.93 1w1a h LYS 200 N 9.81 0.00 0.00 2.91 1.57 -1.92 -3.47 116.57 125.48 1w1a h LYS 200 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1w1a h LYS 200 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1w1a h LYS 200 CO 1.32 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.61 1w1a n GLY 201 N -0.97 0.53 0.39 3.86 0.00 -1.26 -4.66 105.19 103.09 1w1a n GLY 201 Ca -0.02 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.66 -0.61 1.61 3.64 -1.82 -3.15 116.57 115.59 1w1a h LYS 202 Ca 0.00 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1w1a h LYS 202 Cb 0.00 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 1w1a h LYS 202 CO 0.00 -0.44 0.22 -0.22 -2.27 0.00 0.00 179.45 176.75 1w1a h LYS 203 N -0.68 0.39 -0.65 1.90 3.64 -1.95 -0.74 116.57 118.49 1w1a h LYS 203 Ca 0.00 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1w1a h LYS 203 Cb 0.66 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.32 1w1a h LYS 203 CO -0.15 0.26 0.27 -0.92 -2.27 0.00 0.00 179.45 176.63 1w1a h TYR 204 N 0.40 0.47 -0.04 1.91 3.20 -1.81 0.93 116.97 122.03 1w1a h TYR 204 Ca 0.31 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 1w1a h TYR 204 Cb 0.38 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1w1a h TYR 204 CO -0.17 0.13 -0.15 0.00 -1.64 0.00 0.00 178.16 176.33 1w1a h ALA 205 N 1.44 0.07 0.00 1.82 0.00 -1.48 -3.00 119.26 118.11 1w1a h ALA 205 Ca 0.33 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1w1a h ALA 205 Cb 0.41 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1w1a h ALA 205 CO -0.31 -0.00 -0.21 -0.92 0.00 0.00 0.00 179.25 177.81 1w1a h TYR 206 N -0.40 -0.56 -0.58 0.00 3.20 -0.87 -1.77 116.97 115.98 1w1a h TYR 206 Ca -0.01 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.97 1w1a h TYR 206 Cb 0.79 0.25 -0.07 0.00 1.54 0.00 0.00 36.73 39.24 1w1a h TYR 206 CO 0.14 -0.30 0.19 -0.44 -1.64 0.00 0.00 178.16 176.11 1w1a h ASP 207 N -0.34 0.16 -0.68 -2.11 3.32 -0.92 -1.22 116.42 114.63 1w1a h ASP 207 Ca 0.06 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.22 1w1a h ASP 207 Cb 0.41 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1w1a h ASP 207 CO -0.19 0.10 0.43 0.45 -1.72 0.00 0.00 179.24 178.30 1w1a h HIS 208 N 0.36 0.80 -0.20 4.55 3.86 -1.31 0.19 115.15 123.40 1w1a h HIS 208 Ca 0.30 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.47 1w1a h HIS 208 Cb 0.38 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1w1a h HIS 208 CO -0.19 0.46 -0.13 0.52 0.86 0.00 0.00 177.93 179.45 1w1a h MET 209 N 0.84 0.33 0.14 2.45 2.86 -0.41 0.24 114.93 121.37 1w1a h MET 209 Ca 0.27 -0.08 -0.28 0.00 -2.06 0.00 0.00 59.70 57.54 1w1a h MET 209 Cb 0.01 -0.04 0.03 0.00 0.06 0.00 0.00 31.60 31.66 1w1a h MET 209 CO -0.10 0.47 -1.19 0.82 1.06 0.00 0.00 176.91 177.97 1w1a h ILE 210 N 0.31 1.32 -0.14 -1.22 1.08 -0.75 -3.18 117.51 114.92 1w1a h ILE 210 Ca 0.06 -2.47 -0.16 0.00 -0.39 0.00 0.00 64.86 61.90 1w1a h ILE 210 Cb 0.43 2.80 0.01 0.00 -3.07 0.00 0.00 36.82 36.98 1w1a h ILE 210 CO 0.02 0.74 -0.52 0.11 -0.69 0.00 0.00 178.15 177.82 1w1a h LYS 211 N 0.16 0.60 -0.00 2.37 1.57 -0.45 -3.25 116.57 117.57 1w1a h LYS 211 Ca -0.19 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 1w1a h LYS 211 Cb 1.88 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.28 1w1a h LYS 211 CO 0.23 1.08 -0.03 1.04 -0.57 0.00 0.00 179.45 181.20 1w1a n GLN 212 N -4.18 0.73 -1.67 3.15 6.02 0.05 -4.53 117.38 116.95 1w1a n GLN 212 Ca -0.07 -0.10 -0.46 0.00 -0.01 0.00 0.00 57.00 56.36 1w1a n GLN 212 Cb 0.61 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.05 1.52 -3.17 -1.58 0.00 -1.20 -4.78 120.51 110.26 1w1a n ALA 213 Ca 0.18 0.44 -0.12 0.00 0.00 0.00 0.00 53.44 53.94 1w1a n ALA 213 Cb 0.21 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.25 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 0.97 -0.32 0.29 0.00 -3.43 -1.26 -4.26 115.29 107.27 1w1a s HIS 214 Ca 0.78 0.16 -0.30 0.00 -0.80 0.00 0.00 55.06 54.90 1w1a s HIS 214 Cb -0.66 0.32 -0.12 0.00 -1.43 0.00 0.00 32.58 30.69 1w1a s HIS 214 CO 0.37 -0.69 1.50 -2.30 -2.00 0.00 0.00 174.74 171.63 1w1a n PRO 215 N 0.04 2.45 -1.00 -0.38 -0.02 -1.26 -2.00 135.00 132.83 1w1a n PRO 215 Ca -0.17 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1w1a n PRO 215 Cb 0.62 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1w1a n PRO 215 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w1a n GLY 216 N 1.85 0.33 3.75 -1.23 0.00 0.10 -4.39 105.19 105.59 1w1a n GLY 216 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.66 3.68 -0.33 4.61 0.00 -0.85 0.24 121.76 127.44 1w1a s ALA 217 Ca 0.00 1.47 -0.03 0.00 0.00 0.00 0.00 51.96 53.40 1w1a s ALA 217 Cb 0.00 -3.60 0.06 0.00 0.00 0.00 0.00 23.12 19.57 1w1a s ALA 217 CO 0.00 -0.89 0.07 0.42 0.00 0.00 0.00 175.76 175.36 1w1a s ILE 218 N -0.16 3.24 0.13 0.00 1.01 -1.26 -0.16 121.20 124.00 1w1a s ILE 218 Ca 0.60 -1.46 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 1w1a s ILE 218 Cb -0.45 -2.93 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 1w1a s ILE 218 CO 0.48 -0.24 0.84 -0.31 0.00 0.00 0.00 174.94 175.71 1w1a s TYR 219 N 1.27 3.85 -0.31 3.97 1.51 0.69 -1.06 117.35 127.27 1w1a s TYR 219 Ca -0.02 1.67 -0.02 0.00 -1.01 0.00 0.00 57.07 57.69 1w1a s TYR 219 Cb -0.20 -2.88 0.06 0.00 -0.11 0.00 0.00 41.96 38.82 1w1a s TYR 219 CO -0.01 0.37 0.03 -1.17 -1.11 0.00 0.00 175.55 173.65 1w1a s LEU 220 N -0.57 4.09 0.28 -1.29 0.20 0.10 -0.11 118.68 121.38 1w1a s LEU 220 Ca 0.40 -1.39 0.12 0.00 0.69 0.00 0.00 54.13 53.95 1w1a s LEU 220 Cb -0.23 -1.73 -0.05 0.00 -0.43 0.00 0.00 46.19 43.76 1w1a s LEU 220 CO 0.27 -0.30 -0.20 -0.76 -0.29 0.00 0.00 176.35 175.08 1w1a s LEU 221 N 1.23 2.60 0.32 -0.68 1.43 -0.18 -4.55 118.68 118.86 1w1a s LEU 221 Ca -0.03 -1.01 0.10 0.00 -1.03 0.00 0.00 54.13 52.16 1w1a s LEU 221 Cb -0.20 -1.12 -0.06 0.00 0.03 0.00 0.00 46.19 44.84 1w1a s LEU 221 CO -0.02 0.04 -0.10 -1.00 0.23 0.00 0.00 176.35 175.51 1w1a s HIS 222 N -2.48 2.42 -0.11 0.29 3.76 -1.26 -1.72 115.29 116.18 1w1a s HIS 222 Ca 0.30 -0.42 0.14 0.00 -0.15 0.00 0.00 55.06 54.93 1w1a s HIS 222 Cb -0.05 -1.28 0.28 0.00 1.11 0.00 0.00 32.58 32.64 1w1a s HIS 222 CO 0.15 0.61 1.14 0.25 -0.85 0.00 0.00 174.74 176.04 1w1a n THR 223 N -0.78 1.43 0.00 1.30 -2.24 -1.26 -4.74 114.28 107.98 1w1a n THR 223 Ca -0.05 -1.96 0.07 0.00 -2.27 0.00 0.00 64.05 59.85 1w1a n THR 223 Cb 0.62 0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.91 0.38 -3.04 2.28 0.24 -1.26 -3.98 118.33 112.04 1w1a n VAL 224 Ca 0.13 -0.57 -0.36 0.00 -2.04 0.00 0.00 64.34 61.50 1w1a n VAL 224 Cb 0.71 -0.17 -0.06 0.00 -1.47 0.00 0.00 33.84 32.85 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 -4.88 7.06 0.15 -1.34 0.15 -1.25 -4.82 113.70 108.77 1w1a s SER 225 Ca -0.07 1.48 -0.34 0.00 0.70 0.00 0.00 55.95 57.72 1w1a s SER 225 Cb 0.12 -2.44 -0.16 0.00 -1.71 0.00 0.00 66.02 61.83 1w1a s SER 225 CO 0.87 -0.03 1.28 -1.14 1.20 0.00 0.00 173.24 175.42 1w1a n ARG 226 N 0.50 1.33 -1.13 5.44 0.63 -1.26 -1.93 116.66 120.24 1w1a n ARG 226 Ca -0.00 0.48 -0.04 0.00 -0.92 0.00 0.00 57.85 57.36 1w1a n ARG 226 Cb 0.51 -2.06 -0.02 0.00 0.45 0.00 0.00 32.46 31.34 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 2.32 -5.61 -0.28 6.15 8.00 -1.26 -4.20 116.55 121.66 1w1a n ASP 227 Ca 0.16 0.11 0.03 0.00 0.71 0.00 0.00 54.79 55.80 1w1a n ASP 227 Cb 0.24 -3.50 0.24 0.00 -0.02 0.00 0.00 41.12 38.08 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 0.89 -0.25 -2.24 -1.07 -1.74 0.24 115.58 111.41 1w1a h ASN 228 Ca -0.09 -0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.26 1w1a h ASN 228 Cb 0.98 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 37.03 1w1a h ASN 228 CO 0.13 0.59 0.07 0.00 0.07 0.00 0.00 177.43 178.30 1w1a h ALA 229 N 1.51 0.33 -0.28 4.14 0.00 -1.89 -0.55 119.26 122.51 1w1a h ALA 229 Ca 0.36 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1w1a h ALA 229 Cb 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1w1a h ALA 229 CO -0.12 -0.03 0.17 0.93 0.00 0.00 0.00 179.25 180.20 1w1a h GLU 230 N 0.24 0.34 -0.38 0.00 3.07 -1.76 0.14 114.58 116.23 1w1a h GLU 230 Ca 0.08 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.99 1w1a h GLU 230 Cb 0.25 -0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.02 1w1a h GLU 230 CO -0.00 0.23 0.03 0.00 -1.40 0.00 0.00 179.01 177.86 1w1a h ALA 231 N 1.12 0.37 -0.85 3.43 0.00 -0.75 -1.31 119.26 121.27 1w1a h ALA 231 Ca 0.11 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1w1a h ALA 231 Cb -0.01 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1w1a h ALA 231 CO -0.04 -0.37 0.44 1.25 0.00 0.00 0.00 179.25 180.52 1w1a h LEU 232 N 0.14 1.09 0.22 0.00 5.85 -0.72 0.27 115.31 122.16 1w1a h LEU 232 Ca 0.19 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1w1a h LEU 232 Cb 0.25 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1w1a h LEU 232 CO -0.29 0.90 -0.32 -0.78 -0.34 0.00 0.00 178.44 177.61 1w1a h ASP 233 N 1.20 -0.89 -0.73 1.25 1.82 0.32 -0.06 116.42 119.33 1w1a h ASP 233 Ca 0.30 0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.99 1w1a h ASP 233 Cb 0.07 0.32 -0.03 0.00 0.68 0.00 0.00 39.33 40.37 1w1a h ASP 233 CO -0.04 -0.43 0.32 0.44 -1.61 0.00 0.00 179.24 177.92 1w1a h ASP 234 N -0.60 0.99 -0.82 2.28 3.32 -1.09 -1.22 116.42 119.28 1w1a h ASP 234 Ca 0.01 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 1w1a h ASP 234 Cb 0.59 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1w1a h ASP 234 CO -0.12 0.86 0.37 0.00 -1.72 0.00 0.00 179.24 178.63 1w1a h ALA 235 N 1.28 1.10 -0.18 3.45 0.00 -0.53 0.76 119.26 125.13 1w1a h ALA 235 Ca 0.25 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1w1a h ALA 235 Cb 0.16 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1w1a h ALA 235 CO -0.03 0.66 -0.53 0.82 0.00 0.00 0.00 179.25 180.17 1w1a h ILE 236 N 1.19 1.31 -0.16 0.00 2.04 -0.73 0.17 117.51 121.33 1w1a h ILE 236 Ca 0.28 -1.77 0.04 0.00 1.00 0.00 0.00 64.86 64.41 1w1a h ILE 236 Cb 0.16 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1w1a h ILE 236 CO -0.03 0.55 -0.07 0.74 0.00 0.00 0.00 178.15 179.34 1w1a h THR 237 N 0.38 0.76 -0.03 -0.27 2.02 -0.92 -1.52 112.91 113.32 1w1a h THR 237 Ca -0.01 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.94 1w1a h THR 237 Cb 1.15 0.76 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1w1a h THR 237 CO 0.11 0.00 -0.91 0.44 0.37 0.00 0.00 175.52 175.53 1w1a h ASP 238 N -0.05 0.67 -0.52 4.18 5.19 -0.83 -2.91 116.42 122.14 1w1a h ASP 238 Ca 0.09 -0.51 -0.05 0.00 -0.62 0.00 0.00 57.03 55.95 1w1a h ASP 238 Cb 0.19 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.47 1w1a h ASP 238 CO -0.20 1.30 0.17 -0.07 -3.12 0.00 0.00 179.24 177.31 1w1a h LEU 239 N 0.32 0.79 -0.59 1.55 3.38 -0.57 -1.96 115.31 118.23 1w1a h LEU 239 Ca -0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1w1a h LEU 239 Cb 1.54 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 1w1a h LEU 239 CO 0.17 0.75 0.28 0.11 0.09 0.00 0.00 178.44 179.84 1w1a h LYS 240 N 0.83 0.85 -0.28 1.13 1.57 -1.27 -1.70 116.57 117.70 1w1a h LYS 240 Ca 0.19 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1w1a h LYS 240 Cb 0.25 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1w1a h LYS 240 CO -0.01 0.69 0.19 0.87 -0.57 0.00 0.00 179.45 180.62 1w1a h LYS 241 N 0.80 0.28 0.00 3.15 6.56 -1.22 0.15 116.57 126.28 1w1a h LYS 241 Ca 0.20 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.78 1w1a h LYS 241 Cb 0.12 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.72 1w1a h LYS 241 CO -0.03 0.18 0.00 1.04 -2.06 0.00 0.00 179.45 178.59 1w1a n GLN 242 N -4.49 0.54 -0.05 3.15 6.02 -0.69 -4.87 117.38 116.99 1w1a n GLN 242 Ca 0.02 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1w1a n GLN 242 Cb 0.15 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 0.75 0.97 3.83 1.08 0.00 0.51 -5.09 105.19 107.25 1w1a n GLY 243 Ca 0.15 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 3.58 -0.05 1.61 2.02 -0.88 -4.77 117.35 116.86 1w1a s TYR 244 Ca 0.00 1.25 0.05 0.00 -0.37 0.00 0.00 57.07 58.01 1w1a s TYR 244 Cb 0.00 -2.53 -0.02 0.00 -0.40 0.00 0.00 41.96 39.02 1w1a s TYR 244 CO 0.00 0.31 -0.21 0.99 -1.57 0.00 0.00 175.55 175.07 1w1a s THR 245 N -1.61 2.41 -0.27 -0.71 2.01 0.25 -4.32 115.64 113.40 1w1a s THR 245 Ca 0.44 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 1w1a s THR 245 Cb -0.15 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 1w1a s THR 245 CO 0.20 0.57 0.19 -0.36 -0.69 0.00 0.00 174.62 174.53 1w1a s PHE 246 N -0.40 3.24 0.38 4.92 0.40 -1.26 -1.44 117.98 123.83 1w1a s PHE 246 Ca 0.04 0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.59 1w1a s PHE 246 Cb -0.12 -2.36 -0.07 0.00 0.51 0.00 0.00 43.02 40.98 1w1a s PHE 246 CO 0.02 -0.11 -0.01 0.15 0.70 0.00 0.00 175.22 175.97 1w1a s LYS 247 N 1.60 1.89 0.63 0.44 1.02 -0.62 -4.78 119.74 119.92 1w1a s LYS 247 Ca 0.07 -2.04 0.03 0.00 0.02 0.00 0.00 55.97 54.04 1w1a s LYS 247 Cb -0.15 -1.55 0.09 0.00 -0.52 0.00 0.00 37.83 35.69 1w1a s LYS 247 CO 0.09 -0.02 0.87 -1.54 -0.92 0.00 0.00 175.35 173.83 1w1a s SER 248 N -3.66 4.81 0.25 2.83 1.04 -1.26 -4.12 113.70 113.59 1w1a s SER 248 Ca 0.34 -0.39 0.11 0.00 0.48 0.00 0.00 55.95 56.49 1w1a s SER 248 Cb 0.08 -0.19 0.25 0.00 0.10 0.00 0.00 66.02 66.26 1w1a s SER 248 CO 0.17 -1.51 1.54 0.40 0.98 0.00 0.00 173.24 174.82 1w1a h ILE 249 N -0.16 1.42 -0.36 -1.02 1.08 -1.90 -0.71 117.51 115.86 1w1a h ILE 249 Ca -0.36 -2.36 -0.10 0.00 -0.39 0.00 0.00 64.86 61.65 1w1a h ILE 249 Cb 1.28 2.29 -0.01 0.00 -3.07 0.00 0.00 36.82 37.31 1w1a h ILE 249 CO 0.43 0.66 -0.17 0.44 -0.69 0.00 0.00 178.15 178.83 1w1a h ASP 250 N 0.00 0.77 -0.37 1.72 3.32 -1.99 -0.26 116.42 119.61 1w1a h ASP 250 Ca -0.01 -0.40 0.04 0.00 0.02 0.00 0.00 57.03 56.68 1w1a h ASP 250 Cb 1.24 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 1w1a h ASP 250 CO 0.09 1.00 0.14 0.44 -1.72 0.00 0.00 179.24 179.19 1w1a h ASP 251 N 0.53 0.17 -0.47 6.45 3.32 -1.89 0.13 116.42 124.67 1w1a h ASP 251 Ca 0.08 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1w1a h ASP 251 Cb 0.71 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 1w1a h ASP 251 CO 0.05 0.14 0.23 0.25 -1.72 0.00 0.00 179.24 178.19 1w1a h LEU 252 N 0.31 0.32 -0.51 1.55 6.46 -0.81 0.14 115.31 122.77 1w1a h LEU 252 Ca 0.17 0.03 -0.12 0.00 -0.12 0.00 0.00 57.88 57.83 1w1a h LEU 252 Cb 0.13 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1w1a h LEU 252 CO -0.16 0.23 -0.16 0.24 -0.62 0.00 0.00 178.44 177.97 1w1a h MET 253 N 0.45 1.01 -0.09 1.25 2.86 -0.48 -2.73 114.93 117.20 1w1a h MET 253 Ca 0.20 -0.40 -0.22 0.00 -2.06 0.00 0.00 59.70 57.22 1w1a h MET 253 Cb 0.12 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.74 1w1a h MET 253 CO -0.15 1.09 -0.84 0.35 1.06 0.00 0.00 176.91 178.42 1w1a h PHE 254 N 0.88 0.91 -0.48 -0.22 3.57 -0.38 -2.52 116.94 118.70 1w1a h PHE 254 Ca 0.12 -0.43 -0.05 0.00 3.53 0.00 0.00 57.97 61.14 1w1a h PHE 254 Cb 0.74 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1w1a h PHE 254 CO 0.05 1.25 0.08 0.93 -2.23 0.00 0.00 178.31 178.39 1w1a h GLU 255 N 0.43 0.75 0.00 1.11 5.08 -0.73 -0.52 114.58 120.69 1w1a h GLU 255 Ca -0.07 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1w1a h GLU 255 Cb 1.46 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1w1a h GLU 255 CO 0.16 0.70 -0.57 1.57 -1.00 0.00 0.00 179.01 179.88 1w1a h LYS 256 N 0.72 0.00 0.00 2.33 2.10 -1.53 -2.67 116.57 117.52 1w1a h LYS 256 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1w1a h LYS 256 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1w1a h LYS 256 CO 0.00 0.30 0.00 1.49 -2.00 0.00 0.00 179.45 179.24 1w1a h GLU 257 N 0.00 0.00 -0.00 0.07 4.57 -0.98 -2.98 114.58 115.26 1w1a h GLU 257 Ca -0.03 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1w1a h GLU 257 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1w1a h GLU 257 CO 0.04 0.00 -0.01 1.98 -1.18 0.00 0.00 179.01 179.84 1w1a h MET 258 N 0.00 0.01 0.00 1.92 4.05 -0.75 -3.51 114.93 116.65 1w1a h MET 258 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1w1a h MET 258 Cb 0.59 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 1w1a h MET 258 CO 0.00 0.75 0.00 0.54 0.23 0.00 0.00 176.91 178.43