#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wfc s ILE 30 N 0.00 3.01 0.14 4.25 2.07 -0.80 -4.96 121.20 124.92 2wfc s ILE 30 Ca 0.00 0.76 0.11 0.00 -1.41 0.00 0.00 60.65 60.11 2wfc s ILE 30 Cb 0.00 -3.39 -0.04 0.00 0.13 0.00 0.00 42.46 39.16 2wfc s ILE 30 CO 0.00 -0.01 -0.26 -0.54 -1.91 0.00 0.00 174.94 172.23 2wfc s LYS 31 N -2.71 1.46 0.14 3.50 1.02 -1.26 -5.00 119.74 116.88 2wfc s LYS 31 Ca 0.64 -1.38 -0.34 0.00 0.02 0.00 0.00 55.97 54.91 2wfc s LYS 31 Cb -0.30 -1.90 -0.16 0.00 -0.52 0.00 0.00 37.83 34.95 2wfc s LYS 31 CO 0.36 0.44 1.25 0.39 -0.92 0.00 0.00 175.35 176.87 2wfc n GLU 32 N 0.74 1.20 0.00 1.68 1.02 -1.26 -1.69 120.64 122.32 2wfc n GLU 32 Ca -0.17 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2wfc n GLU 32 Cb 0.54 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 2wfc n GLU 32 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wfc n GLY 33 N 2.27 1.87 3.78 0.62 0.00 0.12 -5.02 105.19 108.84 2wfc n GLY 33 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2wfc n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wfc s ASP 34 N -1.48 6.49 0.10 1.61 1.01 -0.68 -4.70 116.67 119.02 2wfc s ASP 34 Ca 0.00 2.10 -0.16 0.00 0.71 0.00 0.00 52.55 55.20 2wfc s ASP 34 Cb 0.00 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 2wfc s ASP 34 CO 0.00 -0.68 0.54 -0.54 0.21 0.00 0.00 175.17 174.70 2wfc s LYS 35 N -2.70 4.06 0.27 8.23 3.01 -1.26 -0.30 119.74 131.05 2wfc s LYS 35 Ca 0.61 0.58 -0.30 0.00 -1.01 0.00 0.00 55.97 55.85 2wfc s LYS 35 Cb -0.23 -3.08 -0.11 0.00 -1.01 0.00 0.00 37.83 33.40 2wfc s LYS 35 CO 0.28 0.56 1.53 -0.51 0.51 0.00 0.00 175.35 177.73 2wfc s LEU 36 N -1.54 4.36 0.55 3.17 1.43 0.10 -4.94 118.68 121.81 2wfc s LEU 36 Ca 0.33 2.83 -0.19 0.00 -1.03 0.00 0.00 54.13 56.07 2wfc s LEU 36 Cb -0.17 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 2wfc s LEU 36 CO 0.18 -0.83 1.14 -2.16 0.23 0.00 0.00 176.35 174.91 2wfc s PRO 37 N -0.42 3.29 -1.39 1.29 0.04 -1.26 -4.39 135.00 132.16 2wfc s PRO 37 Ca 0.62 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 2wfc s PRO 37 Cb -0.45 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 2wfc s PRO 37 CO 0.46 -0.91 2.56 0.00 0.04 0.00 0.00 177.00 179.15 2wfc n ALA 38 N -1.38 6.24 -2.76 8.56 0.00 -1.26 -3.21 120.51 126.70 2wfc n ALA 38 Ca 0.12 -3.30 -0.35 0.00 0.00 0.00 0.00 53.44 49.91 2wfc n ALA 38 Cb 0.51 -3.36 -0.09 0.00 0.00 0.00 0.00 19.45 16.51 2wfc n ALA 38 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wfc s VAL 39 N 2.86 4.71 -0.06 0.00 1.01 -1.26 -4.89 120.40 122.77 2wfc s VAL 39 Ca 0.58 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.24 2wfc s VAL 39 Cb 0.15 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2wfc s VAL 39 CO -0.05 0.59 0.68 -0.89 0.00 0.00 0.00 175.10 175.44 2wfc s THR 40 N -0.77 5.04 0.49 3.92 2.01 -1.26 -0.96 115.64 124.10 2wfc s THR 40 Ca 0.12 1.41 0.02 0.00 0.31 0.00 0.00 61.69 63.55 2wfc s THR 40 Cb -0.12 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 2wfc s THR 40 CO 0.03 0.27 0.06 1.33 -0.69 0.00 0.00 174.62 175.62 2wfc n VAL 41 N 3.70 0.00 -4.28 3.82 0.24 0.14 -4.83 118.33 117.13 2wfc n VAL 41 Ca -0.02 -2.49 -0.19 0.00 -2.04 0.00 0.00 64.34 59.60 2wfc n VAL 41 Cb 0.51 0.67 -0.13 0.00 -1.47 0.00 0.00 33.84 33.42 2wfc n VAL 41 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2wfc s PHE 42 N -3.01 1.21 0.00 6.34 0.40 -0.18 -0.63 117.98 122.10 2wfc s PHE 42 Ca 0.09 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 2wfc s PHE 42 Cb 0.00 -0.70 0.00 0.00 0.51 0.00 0.00 43.02 42.83 2wfc s PHE 42 CO 0.06 0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.44 2wfc n GLY 43 N 1.65 0.72 0.18 4.36 0.00 0.75 -0.76 105.19 112.08 2wfc n GLY 43 Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.85 2wfc n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfc h ALA 44 N -1.57 1.23 -2.35 4.61 0.00 -1.84 -3.44 119.26 115.91 2wfc h ALA 44 Ca 0.00 -0.39 -0.33 0.00 0.00 0.00 0.00 54.91 54.20 2wfc h ALA 44 Cb 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.58 2wfc h ALA 44 CO 0.00 0.53 -0.62 0.95 0.00 0.00 0.00 179.25 180.11 2wfc s THR 45 N -3.98 0.51 -0.94 0.00 -4.23 -1.26 -4.29 115.64 101.45 2wfc s THR 45 Ca -0.02 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.59 2wfc s THR 45 Cb 0.14 -2.56 0.09 0.00 1.34 0.00 0.00 72.50 71.50 2wfc s THR 45 CO 0.72 -0.06 1.32 -2.65 -0.54 0.00 0.00 174.62 173.42 2wfc n PRO 46 N -0.42 0.02 0.00 3.99 -0.02 -1.26 -1.74 135.00 135.57 2wfc n PRO 46 Ca -0.01 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 61.96 2wfc n PRO 46 Cb 0.66 -1.54 0.32 0.00 -0.02 0.00 0.00 33.50 32.92 2wfc n PRO 46 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wfc n ASN 47 N -1.57 1.16 -4.38 2.55 5.03 -1.26 -4.63 115.26 112.15 2wfc n ASN 47 Ca 0.02 -0.97 -0.45 0.00 0.87 0.00 0.00 54.58 54.05 2wfc n ASN 47 Cb 0.11 0.19 -0.01 0.00 -1.02 0.00 0.00 39.78 39.05 2wfc n ASN 47 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2wfc s ASP 48 N -2.50 6.96 0.23 6.41 1.01 -0.71 -5.05 116.67 123.02 2wfc s ASP 48 Ca 0.23 -2.89 -0.27 0.00 0.71 0.00 0.00 52.55 50.34 2wfc s ASP 48 Cb 0.19 -2.28 -0.09 0.00 1.01 0.00 0.00 42.92 41.75 2wfc s ASP 48 CO 0.53 -0.62 0.86 -0.54 0.21 0.00 0.00 175.17 175.62 2wfc s LYS 49 N 0.50 4.64 -0.08 8.23 1.02 -1.26 -0.18 119.74 132.61 2wfc s LYS 49 Ca 0.29 1.28 -0.01 0.00 0.02 0.00 0.00 55.97 57.55 2wfc s LYS 49 Cb -0.08 -3.14 0.03 0.00 -0.52 0.00 0.00 37.83 34.13 2wfc s LYS 49 CO -0.07 0.48 0.00 0.08 -0.92 0.00 0.00 175.35 174.92 2wfc s VAL 50 N -1.29 0.39 -0.22 3.17 1.01 0.19 -4.89 120.40 118.77 2wfc s VAL 50 Ca 0.41 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 2wfc s VAL 50 Cb -0.23 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2wfc s VAL 50 CO 0.27 0.24 0.33 0.21 0.00 0.00 0.00 175.10 176.15 2wfc s ASN 51 N 1.96 6.32 0.42 3.32 3.84 -1.26 -0.68 114.94 128.86 2wfc s ASN 51 Ca 0.05 0.37 0.29 0.00 0.21 0.00 0.00 52.86 53.78 2wfc s ASN 51 Cb -0.12 -2.19 1.25 0.00 -0.55 0.00 0.00 41.25 39.63 2wfc s ASN 51 CO -0.05 -0.05 1.87 0.24 -2.79 0.00 0.00 177.10 176.32 2wfc h MET 52 N 7.51 0.00 -0.00 0.43 2.86 -1.24 0.39 114.93 124.88 2wfc h MET 52 Ca -0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 2wfc h MET 52 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2wfc h MET 52 CO 0.69 0.00 -0.05 0.00 1.06 0.00 0.00 176.91 178.61 2wfc n ALA 53 N -1.94 2.66 -0.04 6.32 0.00 -1.20 -4.09 120.51 122.23 2wfc n ALA 53 Ca 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.18 2wfc n ALA 53 Cb 0.25 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 2wfc n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wfc n GLU 54 N -0.96 2.15 -0.30 0.00 1.02 0.01 -4.54 120.64 118.01 2wfc n GLU 54 Ca 0.17 0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.41 2wfc n GLU 54 Cb 0.23 -1.18 0.24 0.00 -0.02 0.00 0.00 31.44 30.72 2wfc n GLU 54 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2wfc h LEU 55 N 0.00 0.55 -3.00 -4.62 5.85 -1.38 -2.00 115.31 110.71 2wfc h LEU 55 Ca -0.19 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2wfc h LEU 55 Cb 1.39 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2wfc h LEU 55 CO -0.00 0.22 0.00 0.49 -0.34 0.00 0.00 178.44 178.81 2wfc n PHE 56 N -4.86 0.71 -1.72 1.25 3.72 -1.26 -4.94 117.46 110.35 2wfc n PHE 56 Ca 0.18 -0.60 -0.42 0.00 -0.05 0.00 0.00 57.45 56.56 2wfc n PHE 56 Cb 0.46 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 38.85 2wfc n PHE 56 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wfc s ALA 57 N -1.54 3.69 -1.36 4.37 0.00 -0.76 -1.33 121.76 124.83 2wfc s ALA 57 Ca 0.32 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2wfc s ALA 57 Cb 0.20 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2wfc s ALA 57 CO 0.16 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 174.98 2wfc n GLY 58 N 4.33 1.12 3.16 0.00 0.00 -1.26 -4.93 105.19 107.61 2wfc n GLY 58 Ca 0.18 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 2wfc n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wfc s LYS 59 N -3.40 0.83 -0.16 1.61 1.02 -0.44 -4.88 119.74 114.31 2wfc s LYS 59 Ca 0.00 -1.34 -0.09 0.00 0.02 0.00 0.00 55.97 54.56 2wfc s LYS 59 Cb 0.00 -0.12 -0.05 0.00 -0.52 0.00 0.00 37.83 37.15 2wfc s LYS 59 CO 0.00 -0.06 0.15 0.21 -0.92 0.00 0.00 175.35 174.73 2wfc s LYS 60 N -3.87 3.89 0.10 1.68 2.20 -1.26 -0.28 119.74 122.19 2wfc s LYS 60 Ca 0.13 -0.15 0.04 0.00 -0.36 0.00 0.00 55.97 55.63 2wfc s LYS 60 Cb 0.06 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2wfc s LYS 60 CO -0.04 0.50 -0.10 0.20 -0.36 0.00 0.00 175.35 175.54 2wfc s GLY 61 N -0.23 0.86 -0.13 5.54 0.00 0.62 -0.18 107.32 113.80 2wfc s GLY 61 Ca 0.12 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 43.65 2wfc s GLY 61 CO 0.01 -1.28 -0.19 0.14 0.00 0.00 0.00 173.10 171.78 2wfc s VAL 62 N -2.51 1.82 -0.16 1.40 1.01 0.12 -0.93 120.40 121.15 2wfc s VAL 62 Ca 0.06 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2wfc s VAL 62 Cb -0.02 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2wfc s VAL 62 CO 0.00 0.50 -0.21 -0.22 0.00 0.00 0.00 175.10 175.18 2wfc s LEU 63 N 0.94 2.14 0.12 3.92 2.96 -0.66 -0.48 118.68 127.62 2wfc s LEU 63 Ca -0.05 -0.62 0.08 0.00 -0.22 0.00 0.00 54.13 53.32 2wfc s LEU 63 Cb -0.15 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2wfc s LEU 63 CO -0.03 0.04 -0.21 0.72 -1.32 0.00 0.00 176.35 175.55 2wfc s PHE 64 N 1.06 1.82 0.11 5.38 -0.71 -0.30 0.08 117.98 125.43 2wfc s PHE 64 Ca -0.01 -0.43 0.10 0.00 -1.04 0.00 0.00 56.93 55.55 2wfc s PHE 64 Cb -0.14 -0.98 -0.04 0.00 -1.21 0.00 0.00 43.02 40.65 2wfc s PHE 64 CO -0.07 0.24 -0.25 0.00 -1.34 0.00 0.00 175.22 173.80 2wfc s ALA 65 N -1.38 2.15 0.21 1.99 0.00 -0.05 -0.35 121.76 124.33 2wfc s ALA 65 Ca 0.09 -1.37 0.08 0.00 0.00 0.00 0.00 51.96 50.77 2wfc s ALA 65 Cb -0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 2wfc s ALA 65 CO 0.05 0.47 -0.15 0.14 0.00 0.00 0.00 175.76 176.27 2wfc s VAL 66 N -1.07 1.81 0.18 0.00 -7.23 -0.39 -2.96 120.40 110.73 2wfc s VAL 66 Ca 0.11 -2.21 0.27 0.00 -1.81 0.00 0.00 61.98 58.34 2wfc s VAL 66 Cb -0.10 -2.06 0.29 0.00 0.56 0.00 0.00 36.38 35.07 2wfc s VAL 66 CO 0.05 -0.56 1.91 -0.65 -0.31 0.00 0.00 175.10 175.54 2wfc h PRO 67 N 2.57 0.00 -1.19 4.82 0.11 -1.82 -3.40 132.00 133.09 2wfc h PRO 67 Ca -0.38 0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.92 2wfc h PRO 67 Cb 1.22 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.06 2wfc h PRO 67 CO 0.61 0.15 0.83 0.20 -0.21 0.00 0.00 178.00 179.58 2wfc s GLY 68 N -4.24 0.05 0.44 -0.55 0.00 -1.26 -4.36 107.32 97.40 2wfc s GLY 68 Ca 0.00 2.78 -0.24 0.00 0.00 0.00 0.00 44.72 47.26 2wfc s GLY 68 CO 0.60 1.26 1.09 0.00 0.00 0.00 0.00 173.10 176.06 2wfc n ALA 69 N 0.82 0.55 -0.73 3.20 0.00 -1.26 -2.60 120.51 120.49 2wfc n ALA 69 Ca -0.04 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2wfc n ALA 69 Cb 0.58 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2wfc n ALA 69 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wfc n PHE 70 N -0.52 0.00 -1.70 0.00 3.72 -1.26 -4.99 117.46 112.71 2wfc n PHE 70 Ca 0.09 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.16 2wfc n PHE 70 Cb 0.40 -1.27 0.05 0.00 -0.94 0.00 0.00 39.48 37.73 2wfc n PHE 70 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2wfc s THR 71 N -1.56 3.36 0.00 4.37 -4.23 -1.07 -4.83 115.64 111.69 2wfc s THR 71 Ca 0.00 0.59 -0.25 0.00 -1.18 0.00 0.00 61.69 60.85 2wfc s THR 71 Cb 0.00 -3.11 -0.17 0.00 1.34 0.00 0.00 72.50 70.55 2wfc s THR 71 CO 0.00 -0.43 1.26 -0.65 -0.54 0.00 0.00 174.62 174.26 2wfc h PRO 72 N -0.15 -0.27 -0.36 3.99 0.11 -1.94 0.96 132.00 134.33 2wfc h PRO 72 Ca -0.46 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 2wfc h PRO 72 Cb 1.24 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 2wfc h PRO 72 CO 0.54 0.07 -0.16 0.78 -0.21 0.00 0.00 178.00 179.02 2wfc h GLY 73 N -0.65 0.72 0.95 -0.55 0.00 -1.97 0.55 103.07 102.12 2wfc h GLY 73 Ca -0.03 -0.56 0.02 0.00 0.00 0.00 0.00 47.33 46.76 2wfc h GLY 73 CO 0.05 0.51 0.62 1.76 0.00 0.00 0.00 176.54 179.48 2wfc h SER 74 N 0.60 1.05 0.51 0.19 0.02 -1.89 -0.47 113.55 113.55 2wfc h SER 74 Ca 0.10 -0.02 -0.30 0.00 -0.84 0.00 0.00 61.79 60.73 2wfc h SER 74 Cb 0.62 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2wfc h SER 74 CO 0.04 0.74 -1.46 0.28 -1.14 0.00 0.00 176.83 175.29 2wfc h SER 75 N 1.23 0.37 0.57 3.07 0.02 -0.33 -1.04 113.55 117.45 2wfc h SER 75 Ca 0.36 -0.49 -0.28 0.00 -0.84 0.00 0.00 61.79 60.53 2wfc h SER 75 Cb -0.08 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 2wfc h SER 75 CO -0.10 1.40 -1.48 0.11 -1.14 0.00 0.00 176.83 175.63 2wfc h LYS 76 N 0.06 0.12 0.00 3.45 1.57 -0.86 -3.41 116.57 117.50 2wfc h LYS 76 Ca -0.22 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2wfc h LYS 76 Cb 2.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.39 2wfc h LYS 76 CO 0.17 0.91 0.00 2.41 -0.57 0.00 0.00 179.45 182.37 2wfc n THR 77 N -3.31 1.23 0.29 -0.16 -1.04 -0.27 -4.78 114.28 106.23 2wfc n THR 77 Ca -0.13 0.41 -0.12 0.00 -2.04 0.00 0.00 64.05 62.16 2wfc n THR 77 Cb 1.02 -1.58 -0.06 0.00 -1.82 0.00 0.00 70.33 67.90 2wfc n THR 77 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2wfc h HIS 78 N 0.00 -0.72 -0.37 -1.42 6.17 -1.32 -2.29 115.15 115.21 2wfc h HIS 78 Ca 0.00 -0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.06 2wfc h HIS 78 Cb 0.00 0.24 -0.02 0.00 2.52 0.00 0.00 27.41 30.15 2wfc h HIS 78 CO 0.00 -0.44 0.22 1.25 0.71 0.00 0.00 177.93 179.67 2wfc h LEU 79 N -1.11 0.44 -1.61 0.26 5.85 -1.45 -2.78 115.31 114.92 2wfc h LEU 79 Ca -0.08 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2wfc h LEU 79 Cb 0.59 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2wfc h LEU 79 CO 0.13 0.37 -0.12 -0.65 -0.34 0.00 0.00 178.44 177.83 2wfc h PRO 80 N 0.48 0.00 -0.27 5.25 0.11 -1.78 -0.35 132.00 135.45 2wfc h PRO 80 Ca 0.13 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.12 2wfc h PRO 80 Cb 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2wfc h PRO 80 CO -0.02 0.12 -0.34 0.78 -0.21 0.00 0.00 178.00 178.32 2wfc h GLY 81 N 1.51 0.64 0.73 -0.55 0.00 -1.13 0.77 103.07 105.05 2wfc h GLY 81 Ca -0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 47.33 46.57 2wfc h GLY 81 CO 0.02 0.54 -0.64 -0.97 0.00 0.00 0.00 176.54 175.48 2wfc h TYR 82 N 0.50 0.57 -0.53 5.60 0.05 -1.11 -2.85 116.97 119.19 2wfc h TYR 82 Ca 0.05 -0.34 0.06 0.00 0.05 0.00 0.00 58.73 58.55 2wfc h TYR 82 Cb 0.83 -0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.46 2wfc h TYR 82 CO 0.03 1.19 0.24 0.28 -1.05 0.00 0.00 178.16 178.85 2wfc h VAL 83 N -0.21 0.89 -0.15 -2.88 2.07 -1.02 -1.27 116.25 113.68 2wfc h VAL 83 Ca -0.09 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 2wfc h VAL 83 Cb 1.39 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2wfc h VAL 83 CO 0.12 0.08 -0.26 -0.33 0.02 0.00 0.00 177.57 177.20 2wfc h GLU 84 N 0.46 0.27 -0.68 1.57 5.08 -0.92 -2.67 114.58 117.69 2wfc h GLU 84 Ca 0.25 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2wfc h GLU 84 Cb 0.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2wfc h GLU 84 CO -0.21 0.53 0.00 1.04 -1.00 0.00 0.00 179.01 179.37 2wfc n GLN 85 N -4.14 3.61 -0.21 2.33 1.13 -1.02 -4.61 117.38 114.46 2wfc n GLN 85 Ca -0.01 -2.87 0.02 0.00 -1.94 0.00 0.00 57.00 52.20 2wfc n GLN 85 Cb 0.38 -1.86 0.13 0.00 0.11 0.00 0.00 30.24 28.99 2wfc n GLN 85 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wfc h ALA 86 N 4.22 0.74 -0.63 -1.58 0.00 -0.87 -0.96 119.26 120.18 2wfc h ALA 86 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2wfc h ALA 86 Cb 1.40 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 2wfc h ALA 86 CO 0.20 -0.34 0.39 0.00 0.00 0.00 0.00 179.25 179.50 2wfc h ALA 87 N 1.54 0.81 -0.39 0.00 0.00 -1.85 -0.07 119.26 119.30 2wfc h ALA 87 Ca 0.34 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 2wfc h ALA 87 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2wfc h ALA 87 CO -0.47 0.14 -0.29 0.00 0.00 0.00 0.00 179.25 178.62 2wfc h ALA 88 N 1.27 0.74 0.17 0.00 0.00 -1.68 0.73 119.26 120.48 2wfc h ALA 88 Ca 0.25 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2wfc h ALA 88 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2wfc h ALA 88 CO -0.10 0.66 -0.08 0.82 0.00 0.00 0.00 179.25 180.55 2wfc h ILE 89 N 0.72 0.94 -0.96 0.00 2.04 -0.90 -2.77 117.51 116.58 2wfc h ILE 89 Ca 0.08 -0.87 0.21 0.00 1.00 0.00 0.00 64.86 65.28 2wfc h ILE 89 Cb 0.85 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 38.28 2wfc h ILE 89 CO 0.07 0.19 0.62 0.45 0.00 0.00 0.00 178.15 179.48 2wfc h HIS 90 N -0.68 0.73 0.00 1.37 3.86 -0.96 -1.63 115.15 117.83 2wfc h HIS 90 Ca -0.02 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wfc h HIS 90 Cb 0.49 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2wfc h HIS 90 CO 0.06 0.17 0.00 0.41 0.86 0.00 0.00 177.93 179.42 2wfc n GLY 91 N -1.45 -1.02 1.71 2.45 0.00 0.24 -2.19 105.19 104.93 2wfc n GLY 91 Ca 0.21 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 2wfc n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wfc n LYS 92 N -1.31 2.15 -0.65 1.61 5.02 -0.62 -4.93 118.16 119.44 2wfc n LYS 92 Ca 0.09 -3.19 0.00 0.00 -2.02 0.00 0.00 58.31 53.19 2wfc n LYS 92 Cb 0.18 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 2wfc n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wfc n GLY 93 N -1.10 0.82 3.72 0.72 0.00 -0.93 -4.97 105.19 103.45 2wfc n GLY 93 Ca 0.46 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 2wfc n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wfc s VAL 94 N -3.28 4.84 -0.12 1.61 1.01 -1.21 -4.58 120.40 118.67 2wfc s VAL 94 Ca 0.00 1.86 -0.10 0.00 0.00 0.00 0.00 61.98 63.74 2wfc s VAL 94 Cb 0.00 -4.23 -0.26 0.00 0.00 0.00 0.00 36.38 31.89 2wfc s VAL 94 CO 0.00 0.23 0.42 0.44 0.00 0.00 0.00 175.10 176.19 2wfc h ASP 95 N 6.48 0.41 -3.37 3.32 3.32 -0.90 -3.38 116.42 122.30 2wfc h ASP 95 Ca -0.42 -0.90 -0.51 0.00 0.02 0.00 0.00 57.03 55.22 2wfc h ASP 95 Cb 1.21 -0.13 -0.34 0.00 0.22 0.00 0.00 39.33 40.29 2wfc h ASP 95 CO 0.74 1.79 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.61 2wfc s ILE 96 N -2.53 1.08 -0.21 0.35 1.01 -1.15 -5.07 121.20 114.67 2wfc s ILE 96 Ca -0.22 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 2wfc s ILE 96 Cb 0.06 -1.01 -0.00 0.00 0.01 0.00 0.00 42.46 41.52 2wfc s ILE 96 CO 0.77 0.35 -0.07 -0.63 0.00 0.00 0.00 174.94 175.35 2wfc s ILE 97 N 0.90 3.15 0.07 2.92 1.01 -1.26 -0.70 121.20 127.28 2wfc s ILE 97 Ca -0.10 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.03 2wfc s ILE 97 Cb -0.15 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 2wfc s ILE 97 CO 0.01 0.45 -0.15 0.00 0.00 0.00 0.00 174.94 175.25 2wfc s ALA 98 N 1.37 1.28 -0.11 9.38 0.00 0.36 -0.54 121.76 133.50 2wfc s ALA 98 Ca 0.05 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2wfc s ALA 98 Cb -0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 2wfc s ALA 98 CO -0.04 0.22 -0.23 0.00 0.00 0.00 0.00 175.76 175.71 2wfc s MET 100 N 0.38 2.58 -0.08 0.00 1.75 0.53 -0.60 119.30 123.87 2wfc s MET 100 Ca -0.17 -0.69 -0.19 0.00 -1.25 0.00 0.00 55.69 53.39 2wfc s MET 100 Cb -0.18 -2.50 0.04 0.00 2.84 0.00 0.00 34.83 35.03 2wfc s MET 100 CO 0.08 0.62 0.44 0.00 -0.65 0.00 0.00 175.02 175.50 2wfc s ALA 101 N -0.93 -1.11 -1.14 4.11 0.00 -0.72 -1.27 121.76 120.69 2wfc s ALA 101 Ca 0.16 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 2wfc s ALA 101 Cb -0.11 -0.24 0.08 0.00 0.00 0.00 0.00 23.12 22.85 2wfc s ALA 101 CO 0.06 -0.27 1.53 0.08 0.00 0.00 0.00 175.76 177.16 2wfc s VAL 102 N -0.74 4.19 0.09 0.00 1.01 -1.26 -0.69 120.40 123.00 2wfc s VAL 102 Ca -0.08 -1.48 -0.20 0.00 0.00 0.00 0.00 61.98 60.22 2wfc s VAL 102 Cb -0.03 -5.07 0.05 0.00 0.00 0.00 0.00 36.38 31.32 2wfc s VAL 102 CO 0.04 -1.90 0.48 0.20 0.00 0.00 0.00 175.10 173.92 2wfc s ASN 103 N 4.34 -0.37 0.70 3.32 0.01 -1.25 -4.85 114.94 116.84 2wfc s ASN 103 Ca 0.47 -0.04 -0.11 0.00 -0.71 0.00 0.00 52.86 52.48 2wfc s ASN 103 Cb 0.01 0.49 0.01 0.00 0.41 0.00 0.00 41.25 42.18 2wfc s ASN 103 CO -0.02 -0.80 1.06 1.51 -1.51 0.00 0.00 177.10 177.35 2wfc s ASP 104 N -2.38 5.28 0.33 -1.22 1.47 -1.26 -3.19 116.67 115.70 2wfc s ASP 104 Ca -0.01 1.64 0.01 0.00 1.18 0.00 0.00 52.55 55.37 2wfc s ASP 104 Cb 0.00 -2.50 0.58 0.00 -0.34 0.00 0.00 42.92 40.66 2wfc s ASP 104 CO -0.07 -1.51 1.97 0.28 0.68 0.00 0.00 175.17 176.52 2wfc h SER 105 N -0.77 0.81 -0.39 2.11 0.02 -1.89 -1.40 113.55 112.05 2wfc h SER 105 Ca -0.44 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.52 2wfc h SER 105 Cb 1.21 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 2wfc h SER 105 CO 0.56 0.57 0.22 -0.26 -1.14 0.00 0.00 176.83 176.78 2wfc h PHE 106 N 0.95 0.40 -0.12 3.45 0.04 -1.87 0.27 116.94 120.07 2wfc h PHE 106 Ca 0.30 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.05 2wfc h PHE 106 Cb 0.01 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.03 2wfc h PHE 106 CO -0.00 0.23 -0.04 0.28 -0.60 0.00 0.00 178.31 178.18 2wfc h VAL 107 N 0.44 1.31 -0.47 -0.55 2.07 -1.88 -2.51 116.25 114.65 2wfc h VAL 107 Ca 0.16 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.66 2wfc h VAL 107 Cb 0.03 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2wfc h VAL 107 CO -0.09 0.29 0.29 -0.03 0.02 0.00 0.00 177.57 178.06 2wfc h MET 108 N -0.10 0.56 -0.39 1.57 1.85 -1.12 -1.41 114.93 115.90 2wfc h MET 108 Ca 0.03 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2wfc h MET 108 Cb 0.48 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.37 2wfc h MET 108 CO 0.01 0.37 0.23 0.22 -0.40 0.00 0.00 176.91 177.35 2wfc h ASP 109 N 0.58 0.47 -0.79 1.39 3.58 -0.97 -1.48 116.42 119.20 2wfc h ASP 109 Ca 0.18 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 2wfc h ASP 109 Cb -0.01 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 2wfc h ASP 109 CO -0.07 0.40 0.47 0.00 -2.88 0.00 0.00 179.24 177.16 2wfc h ALA 110 N 1.10 1.34 -0.40 -0.78 0.00 -1.11 -1.98 119.26 117.42 2wfc h ALA 110 Ca 0.14 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2wfc h ALA 110 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2wfc h ALA 110 CO -0.03 0.57 -0.10 2.35 0.00 0.00 0.00 179.25 182.04 2wfc h TRP 111 N 1.09 0.88 -0.75 0.00 7.01 -0.84 -1.63 115.95 121.71 2wfc h TRP 111 Ca 0.28 -0.19 0.02 0.00 2.11 0.00 0.00 58.89 61.12 2wfc h TRP 111 Cb -0.03 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 26.77 2wfc h TRP 111 CO 0.00 0.91 0.48 0.78 -2.79 0.00 0.00 178.44 177.83 2wfc h GLY 112 N 0.60 1.08 1.91 2.65 0.00 -1.04 -2.21 103.07 106.06 2wfc h GLY 112 Ca 0.10 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 2wfc h GLY 112 CO 0.04 0.33 -0.35 0.50 0.00 0.00 0.00 176.54 177.06 2wfc h LYS 113 N 0.96 0.10 0.00 4.80 1.57 -1.14 -1.39 116.57 121.48 2wfc h LYS 113 Ca 0.29 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2wfc h LYS 113 Cb -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2wfc h LYS 113 CO -0.10 0.45 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 2wfc h ALA 114 N 1.55 1.00 0.00 3.86 0.00 -0.67 -3.11 119.26 121.89 2wfc h ALA 114 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wfc h ALA 114 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2wfc h ALA 114 CO 0.05 0.00 -0.02 0.72 0.00 0.00 0.00 179.25 180.00 2wfc n HIS 115 N -3.02 0.00 -2.51 0.00 8.25 -0.83 -5.01 115.22 112.10 2wfc n HIS 115 Ca -0.00 -0.85 -0.19 0.00 -0.26 0.00 0.00 57.72 56.42 2wfc n HIS 115 Cb 0.23 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.22 2wfc n HIS 115 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wfc n GLY 116 N -1.17 -0.41 0.18 -1.41 0.00 -0.90 -4.91 105.19 96.57 2wfc n GLY 116 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.09 2wfc n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfc h ALA 117 N 0.90 1.24 -0.84 4.61 0.00 -1.57 -3.45 119.26 120.16 2wfc h ALA 117 Ca -0.46 -0.40 -0.74 0.00 0.00 0.00 0.00 54.91 53.31 2wfc h ALA 117 Cb 1.33 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2wfc h ALA 117 CO 0.53 0.56 0.57 -3.47 0.00 0.00 0.00 179.25 177.44 2wfc n ASP 118 N -4.02 1.00 0.00 0.00 2.03 -1.26 -0.08 116.55 114.22 2wfc n ASP 118 Ca -0.02 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.29 2wfc n ASP 118 Cb 0.47 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 2wfc n ASP 118 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2wfc n ASP 119 N 3.32 -3.62 -0.02 1.67 8.00 -1.26 -4.76 116.55 119.88 2wfc n ASP 119 Ca 0.26 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.71 2wfc n ASP 119 Cb -0.05 -1.97 -0.02 0.00 -0.02 0.00 0.00 41.12 39.06 2wfc n ASP 119 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2wfc n LYS 120 N -1.07 0.10 -3.87 -1.24 5.02 0.89 -5.03 118.16 112.95 2wfc n LYS 120 Ca 0.00 0.04 -0.26 0.00 -2.02 0.00 0.00 58.31 56.08 2wfc n LYS 120 Cb 0.21 -0.66 -0.17 0.00 -0.02 0.00 0.00 35.03 34.39 2wfc n LYS 120 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wfc s VAL 121 N -2.09 0.85 0.07 -0.18 1.01 -0.10 -4.52 120.40 115.44 2wfc s VAL 121 Ca -0.06 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 2wfc s VAL 121 Cb 0.02 -0.90 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 2wfc s VAL 121 CO 0.08 0.34 1.21 -1.10 0.00 0.00 0.00 175.10 175.63 2wfc s GLN 122 N 1.77 4.43 -0.24 2.72 -0.21 0.29 -4.48 119.66 123.95 2wfc s GLN 122 Ca 0.05 1.79 -0.09 0.00 0.02 0.00 0.00 55.36 57.12 2wfc s GLN 122 Cb -0.12 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.51 2wfc s GLN 122 CO -0.07 -0.25 0.13 -1.64 -2.12 0.00 0.00 175.29 171.34 2wfc s MET 123 N 0.97 3.92 -0.10 2.91 -1.94 -1.26 -0.46 119.30 123.34 2wfc s MET 123 Ca 0.59 -0.35 0.04 0.00 -1.71 0.00 0.00 55.69 54.26 2wfc s MET 123 Cb -0.30 -3.47 0.00 0.00 2.01 0.00 0.00 34.83 33.07 2wfc s MET 123 CO 0.30 -0.03 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.53 2wfc s LEU 124 N 1.27 2.09 -0.22 -0.03 1.43 0.23 -4.51 118.68 118.94 2wfc s LEU 124 Ca 0.06 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 52.51 2wfc s LEU 124 Cb -0.14 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 2wfc s LEU 124 CO 0.05 0.15 0.11 0.00 0.23 0.00 0.00 176.35 176.90 2wfc s ALA 125 N 0.38 3.48 -0.71 4.21 0.00 0.06 -1.76 121.76 127.42 2wfc s ALA 125 Ca -0.18 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 50.97 2wfc s ALA 125 Cb -0.18 -2.14 0.20 0.00 0.00 0.00 0.00 23.12 21.01 2wfc s ALA 125 CO 0.08 -0.08 0.61 -3.47 0.00 0.00 0.00 175.76 172.90 2wfc n ASP 126 N 4.05 3.40 -0.16 0.00 2.03 0.14 -1.01 116.55 125.00 2wfc n ASP 126 Ca -0.16 -3.29 -0.11 0.00 0.52 0.00 0.00 54.79 51.75 2wfc n ASP 126 Cb 0.52 -0.76 -0.00 0.00 -0.72 0.00 0.00 41.12 40.15 2wfc n ASP 126 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2wfc h PRO 127 N 5.05 0.96 -0.01 -0.67 0.11 -1.80 -1.10 132.00 134.54 2wfc h PRO 127 Ca 0.17 -0.40 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2wfc h PRO 127 Cb 0.73 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2wfc h PRO 127 CO 0.78 1.07 -0.01 0.41 -0.21 0.00 0.00 178.00 180.03 2wfc n GLY 128 N -0.13 -0.33 2.19 -0.55 0.00 -1.26 -4.57 105.19 100.53 2wfc n GLY 128 Ca -0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 2wfc n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wfc n GLY 129 N 1.13 0.82 0.19 -0.02 0.00 -0.42 -4.93 105.19 101.96 2wfc n GLY 129 Ca 0.20 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2wfc n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfc h ALA 130 N 0.00 0.51 -0.18 4.61 0.00 -1.92 0.16 119.26 122.43 2wfc h ALA 130 Ca -0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2wfc h ALA 130 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2wfc h ALA 130 CO 0.17 0.12 -0.04 0.35 0.00 0.00 0.00 179.25 179.85 2wfc h PHE 131 N 0.49 0.39 -1.01 0.00 3.57 -1.91 -1.41 116.94 117.06 2wfc h PHE 131 Ca 0.13 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.56 2wfc h PHE 131 Cb 0.19 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 2wfc h PHE 131 CO -0.00 0.60 0.67 1.15 -2.23 0.00 0.00 178.31 178.50 2wfc h THR 132 N 0.07 1.25 -0.17 4.41 2.02 -1.90 0.06 112.91 118.65 2wfc h THR 132 Ca 0.05 -0.46 -0.14 0.00 0.77 0.00 0.00 66.41 66.62 2wfc h THR 132 Cb 0.47 -0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2wfc h THR 132 CO 0.02 0.25 -0.49 0.50 0.37 0.00 0.00 175.52 176.16 2wfc h LYS 133 N 1.36 0.46 -0.04 6.66 3.64 -0.69 -0.87 116.57 127.09 2wfc h LYS 133 Ca 0.37 -0.27 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 2wfc h LYS 133 Cb -0.14 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2wfc h LYS 133 CO -0.09 0.85 -0.47 0.00 -2.27 0.00 0.00 179.45 177.47 2wfc h ALA 134 N 1.10 1.14 -0.30 5.00 0.00 -0.12 -1.89 119.26 124.20 2wfc h ALA 134 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2wfc h ALA 134 Cb 1.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2wfc h ALA 134 CO 0.09 0.61 0.00 1.33 0.00 0.00 0.00 179.25 181.28 2wfc n VAL 135 N -3.97 0.39 -3.51 0.00 0.24 -0.10 -4.95 118.33 106.43 2wfc n VAL 135 Ca -0.02 -0.55 -0.19 0.00 -2.04 0.00 0.00 64.34 61.54 2wfc n VAL 135 Cb 0.51 0.62 0.08 0.00 -1.47 0.00 0.00 33.84 33.57 2wfc n VAL 135 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2wfc n ASP 136 N 0.89 -2.32 -1.53 -1.34 2.03 -0.71 -1.90 116.55 111.66 2wfc n ASP 136 Ca 0.17 -0.66 -0.08 0.00 0.52 0.00 0.00 54.79 54.75 2wfc n ASP 136 Cb 0.45 -4.88 0.09 0.00 -0.72 0.00 0.00 41.12 36.07 2wfc n ASP 136 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2wfc n MET 137 N -4.25 2.32 -2.31 -0.67 2.81 -0.41 -3.88 117.12 110.73 2wfc n MET 137 Ca -0.26 -3.57 -0.38 0.00 -1.81 0.00 0.00 57.70 51.68 2wfc n MET 137 Cb 0.66 -1.75 -0.02 0.00 -0.71 0.00 0.00 33.22 31.40 2wfc n MET 137 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2wfc s GLU 138 N -3.15 4.01 -0.03 0.03 2.02 -1.26 -0.76 118.70 119.57 2wfc s GLU 138 Ca 0.42 1.80 0.02 0.00 0.02 0.00 0.00 54.97 57.22 2wfc s GLU 138 Cb 0.38 -2.62 0.01 0.00 0.10 0.00 0.00 34.13 32.01 2wfc s GLU 138 CO -0.03 -0.34 -0.06 -1.17 0.02 0.00 0.00 175.26 173.68 2wfc s LEU 139 N -2.60 1.62 -0.42 1.80 2.96 -0.05 -4.48 118.68 117.52 2wfc s LEU 139 Ca 0.58 -0.13 -0.04 0.00 -0.22 0.00 0.00 54.13 54.32 2wfc s LEU 139 Cb -0.30 -0.43 0.11 0.00 0.50 0.00 0.00 46.19 46.08 2wfc s LEU 139 CO 0.37 0.01 0.23 -0.62 -1.32 0.00 0.00 176.35 175.02 2wfc s ASP 140 N 0.45 5.35 -0.73 3.68 2.15 -1.26 -0.42 116.67 125.90 2wfc s ASP 140 Ca -0.06 -1.96 0.04 0.00 0.43 0.00 0.00 52.55 50.99 2wfc s ASP 140 Cb -0.10 -1.87 0.23 0.00 -0.30 0.00 0.00 42.92 40.88 2wfc s ASP 140 CO 0.00 -0.57 0.74 0.18 -0.17 0.00 0.00 175.17 175.35 2wfc n LEU 141 N 4.67 3.82 -0.05 -1.34 4.77 -1.26 -4.96 117.00 122.65 2wfc n LEU 141 Ca -0.04 -5.32 -0.12 0.00 -0.03 0.00 0.00 56.01 50.50 2wfc n LEU 141 Cb 0.41 -0.80 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 2wfc n LEU 141 CO 0.35 1.88 0.47 0.77 -1.33 0.00 0.00 177.39 179.53 2wfc h SER 142 N 4.87 0.82 0.15 -1.43 4.64 -1.88 0.55 113.55 121.27 2wfc h SER 142 Ca 0.18 -0.43 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 2wfc h SER 142 Cb 0.70 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2wfc h SER 142 CO 0.84 1.19 -0.11 0.00 -0.87 0.00 0.00 176.83 177.88 2wfc h ALA 143 N 0.83 1.67 0.01 5.18 0.00 -1.93 -0.35 119.26 124.67 2wfc h ALA 143 Ca 0.02 -0.10 -0.37 0.00 0.00 0.00 0.00 54.91 54.46 2wfc h ALA 143 Cb 1.10 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 2wfc h ALA 143 CO 0.11 0.13 -2.36 0.28 0.00 0.00 0.00 179.25 177.41 2wfc n VAL 144 N -4.19 1.46 0.00 0.00 0.31 -0.86 -4.80 118.33 110.26 2wfc n VAL 144 Ca -0.03 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 2wfc n VAL 144 Cb 0.19 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 2wfc n VAL 144 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wfc n LEU 145 N -3.01 0.00 0.00 7.52 4.77 0.13 -5.08 117.00 121.33 2wfc n LEU 145 Ca -0.37 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2wfc n LEU 145 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 2wfc n LEU 145 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2wfc n GLY 146 N 0.82 2.05 3.99 -0.72 0.00 -0.15 -4.94 105.19 106.25 2wfc n GLY 146 Ca 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 2wfc n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wfc s ASN 147 N -3.95 5.79 0.29 1.61 4.22 -1.26 -4.60 114.94 117.04 2wfc s ASN 147 Ca 0.00 -0.18 -0.29 0.00 -2.14 0.00 0.00 52.86 50.24 2wfc s ASN 147 Cb 0.00 -1.05 -0.10 0.00 1.28 0.00 0.00 41.25 41.37 2wfc s ASN 147 CO 0.00 -0.64 1.37 -0.69 -2.04 0.00 0.00 177.10 175.11 2wfc s VAL 148 N -2.33 2.68 0.00 3.54 1.01 -1.26 -4.60 120.40 119.43 2wfc s VAL 148 Ca 0.50 0.63 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2wfc s VAL 148 Cb -0.10 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2wfc s VAL 148 CO 0.33 0.12 0.00 0.54 0.00 0.00 0.00 175.10 176.10 2wfc n ARG 149 N 1.55 2.30 -3.99 2.72 5.12 0.45 -4.94 116.66 119.87 2wfc n ARG 149 Ca 0.03 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.60 2wfc n ARG 149 Cb 0.41 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.64 2wfc n ARG 149 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2wfc s SER 150 N 0.14 6.11 0.66 0.55 0.15 -1.26 -0.87 113.70 119.18 2wfc s SER 150 Ca 0.00 0.36 -0.17 0.00 0.70 0.00 0.00 55.95 56.84 2wfc s SER 150 Cb 0.00 -1.91 -0.02 0.00 -1.71 0.00 0.00 66.02 62.38 2wfc s SER 150 CO 0.00 0.37 1.06 0.29 1.20 0.00 0.00 173.24 176.15 2wfc n LYS 151 N 1.77 0.81 -2.53 5.44 5.02 0.06 -3.61 118.16 125.12 2wfc n LYS 151 Ca -0.18 0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 2wfc n LYS 151 Cb 0.54 -2.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.24 2wfc n LYS 151 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2wfc s ARG 152 N -3.13 4.37 0.22 1.97 3.52 0.26 -4.41 118.95 121.74 2wfc s ARG 152 Ca 0.77 1.58 -0.20 0.00 -0.13 0.00 0.00 55.73 57.76 2wfc s ARG 152 Cb -0.38 -3.56 0.03 0.00 -1.56 0.00 0.00 34.95 29.49 2wfc s ARG 152 CO 0.46 -0.41 0.60 1.52 -0.81 0.00 0.00 175.30 176.66 2wfc s TYR 153 N 2.18 -0.20 0.03 5.12 -0.85 -1.16 -1.93 117.35 120.54 2wfc s TYR 153 Ca 0.53 -0.15 0.01 0.00 -0.52 0.00 0.00 57.07 56.94 2wfc s TYR 153 Cb -0.22 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.61 2wfc s TYR 153 CO 0.20 -1.01 -0.05 -1.54 -1.52 0.00 0.00 175.55 171.63 2wfc s SER 154 N -2.87 0.52 0.03 -0.18 1.04 0.18 -0.87 113.70 111.55 2wfc s SER 154 Ca 0.09 -0.45 0.06 0.00 0.48 0.00 0.00 55.95 56.13 2wfc s SER 154 Cb -0.03 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 2wfc s SER 154 CO -0.01 -0.21 -0.18 -0.76 0.98 0.00 0.00 173.24 173.06 2wfc s LEU 155 N -1.29 2.14 -0.16 2.42 1.43 0.11 -0.57 118.68 122.77 2wfc s LEU 155 Ca -0.11 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 2wfc s LEU 155 Cb -0.09 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.23 2wfc s LEU 155 CO -0.00 0.14 0.20 -0.69 0.23 0.00 0.00 176.35 176.23 2wfc s VAL 156 N -0.73 5.37 -0.02 -1.59 1.01 -0.80 -1.65 120.40 121.98 2wfc s VAL 156 Ca 0.06 0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.46 2wfc s VAL 156 Cb -0.08 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 2wfc s VAL 156 CO 0.01 0.47 -0.23 -0.63 0.00 0.00 0.00 175.10 174.72 2wfc s ILE 157 N 0.03 1.85 -0.13 2.22 1.01 -0.11 -0.72 121.20 125.34 2wfc s ILE 157 Ca 0.13 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 2wfc s ILE 157 Cb -0.12 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.85 2wfc s ILE 157 CO 0.02 0.52 -0.05 -1.61 0.00 0.00 0.00 174.94 173.83 2wfc s GLU 158 N -0.51 1.27 -1.44 2.79 2.02 0.04 -0.28 118.70 122.60 2wfc s GLU 158 Ca 0.08 -0.28 -0.02 0.00 0.02 0.00 0.00 54.97 54.77 2wfc s GLU 158 Cb -0.09 -1.64 0.02 0.00 0.10 0.00 0.00 34.13 32.51 2wfc s GLU 158 CO -0.01 -0.35 0.48 -3.47 0.02 0.00 0.00 175.26 171.93 2wfc n ASP 159 N 4.97 -0.77 0.00 -0.19 2.03 0.61 -1.41 116.55 121.79 2wfc n ASP 159 Ca -0.11 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.21 2wfc n ASP 159 Cb 0.49 -3.09 0.00 0.00 -0.72 0.00 0.00 41.12 37.80 2wfc n ASP 159 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wfc n GLY 160 N -1.90 1.40 3.60 0.27 0.00 -1.17 -4.68 105.19 102.71 2wfc n GLY 160 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 2wfc n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wfc s VAL 161 N -3.58 4.45 -0.13 1.61 1.01 -0.50 -0.72 120.40 122.54 2wfc s VAL 161 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 2wfc s VAL 161 Cb 0.00 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2wfc s VAL 161 CO 0.00 0.49 1.24 -0.69 0.00 0.00 0.00 175.10 176.14 2wfc s VAL 162 N 0.19 4.29 -0.21 2.92 1.01 0.58 -0.78 120.40 128.41 2wfc s VAL 162 Ca 0.02 1.57 0.14 0.00 0.00 0.00 0.00 61.98 63.72 2wfc s VAL 162 Cb -0.13 -4.01 -0.20 0.00 0.00 0.00 0.00 36.38 32.03 2wfc s VAL 162 CO 0.01 -0.10 0.40 0.35 0.00 0.00 0.00 175.10 175.76 2wfc n THR 163 N 5.14 0.00 -3.80 3.92 -2.24 0.10 0.16 114.28 117.56 2wfc n THR 163 Ca 0.13 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 2wfc n THR 163 Cb 0.45 0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.98 2wfc n THR 163 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wfc s LYS 164 N -2.80 0.29 -0.13 -0.78 -0.14 -1.13 -4.88 119.74 110.16 2wfc s LYS 164 Ca -0.02 0.27 0.00 0.00 -1.36 0.00 0.00 55.97 54.86 2wfc s LYS 164 Cb 0.10 0.14 0.02 0.00 -1.68 0.00 0.00 37.83 36.41 2wfc s LYS 164 CO 0.59 -0.04 -0.11 0.08 -0.76 0.00 0.00 175.35 175.11 2wfc s VAL 165 N 0.02 1.32 -0.44 3.17 1.01 -1.26 -1.91 120.40 122.31 2wfc s VAL 165 Ca -0.01 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 2wfc s VAL 165 Cb -0.02 -1.28 0.12 0.00 0.00 0.00 0.00 36.38 35.20 2wfc s VAL 165 CO 0.00 0.42 0.21 0.20 0.00 0.00 0.00 175.10 175.93 2wfc s ASN 166 N 1.57 5.00 -0.13 3.32 0.02 0.27 -5.01 114.94 119.97 2wfc s ASN 166 Ca 0.05 -2.34 -0.05 0.00 -1.02 0.00 0.00 52.86 49.50 2wfc s ASN 166 Cb -0.13 -1.75 -0.04 0.00 0.02 0.00 0.00 41.25 39.35 2wfc s ASN 166 CO -0.09 -0.43 0.04 0.54 0.02 0.00 0.00 177.10 177.18 2wfc s VAL 167 N 0.68 4.65 0.21 1.60 0.11 -1.26 -0.65 120.40 125.74 2wfc s VAL 167 Ca 0.12 -0.10 -0.31 0.00 -2.93 0.00 0.00 61.98 58.75 2wfc s VAL 167 Cb -0.22 -3.03 -0.11 0.00 -1.53 0.00 0.00 36.38 31.50 2wfc s VAL 167 CO -0.05 0.55 1.60 -1.61 -3.33 0.00 0.00 175.10 172.27 2wfc s GLU 168 N -0.36 4.18 0.52 1.54 0.41 -0.81 -4.89 118.70 119.28 2wfc s GLU 168 Ca 0.08 2.47 0.19 0.00 -0.41 0.00 0.00 54.97 57.30 2wfc s GLU 168 Cb -0.12 -3.10 1.31 0.00 -1.78 0.00 0.00 34.13 30.44 2wfc s GLU 168 CO 0.02 -0.63 2.09 -1.35 -0.49 0.00 0.00 175.26 174.90 2wfc h PRO 169 N 6.23 0.01 -0.50 0.39 0.10 -1.96 -0.40 132.00 135.88 2wfc h PRO 169 Ca -0.44 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.66 2wfc h PRO 169 Cb 1.21 -0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.31 2wfc h PRO 169 CO 0.89 0.01 0.00 -0.40 0.10 0.00 0.00 178.00 178.60 2wfc n ASP 170 N -4.48 3.33 0.00 -2.05 5.75 -1.26 -4.98 116.55 112.86 2wfc n ASP 170 Ca 0.02 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2wfc n ASP 170 Cb 0.27 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 2wfc n ASP 170 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wfc n GLY 171 N 0.97 2.34 0.00 6.12 0.00 -0.16 -4.72 105.19 109.74 2wfc n GLY 171 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2wfc n GLY 171 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wfc n LYS 172 N -1.98 0.50 -0.94 1.61 2.85 -1.26 -0.58 118.16 118.36 2wfc n LYS 172 Ca 0.00 -0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.95 2wfc n LYS 172 Cb 0.00 -0.07 0.26 0.00 -0.65 0.00 0.00 35.03 34.57 2wfc n LYS 172 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2wfc s GLY 173 N -0.07 1.55 -0.65 2.58 0.00 -1.26 -4.93 107.32 104.54 2wfc s GLY 173 Ca 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.75 2wfc s GLY 173 CO 0.00 -0.07 0.43 1.08 0.00 0.00 0.00 173.10 174.55 2wfc s LEU 174 N -7.19 4.47 0.00 0.66 1.43 -1.26 -4.92 118.68 111.88 2wfc s LEU 174 Ca 0.71 -3.62 0.00 0.00 -1.03 0.00 0.00 54.13 50.20 2wfc s LEU 174 Cb -0.09 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.58 2wfc s LEU 174 CO 0.56 -0.12 0.00 0.35 0.23 0.00 0.00 176.35 177.37 2wfc n THR 175 N 2.28 0.00 0.36 5.49 -2.24 -1.26 -4.95 114.28 113.96 2wfc n THR 175 Ca 0.17 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.09 2wfc n THR 175 Cb 0.35 0.00 0.54 0.00 -2.10 0.00 0.00 70.33 69.12 2wfc n THR 175 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wfc n SER 177 N -2.63 0.67 -4.87 0.00 3.41 -1.26 -4.71 113.62 104.21 2wfc n SER 177 Ca 0.02 -0.91 -0.30 0.00 -0.26 0.00 0.00 58.87 57.41 2wfc n SER 177 Cb 0.30 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2wfc n SER 177 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2wfc s LEU 178 N -2.26 3.43 0.29 1.04 1.43 -1.07 -4.54 118.68 116.99 2wfc s LEU 178 Ca 0.35 1.31 0.03 0.00 -1.03 0.00 0.00 54.13 54.78 2wfc s LEU 178 Cb 0.21 -4.30 0.70 0.00 0.03 0.00 0.00 46.19 42.83 2wfc s LEU 178 CO 0.42 -0.72 1.70 0.00 0.23 0.00 0.00 176.35 177.98 2wfc h ALA 179 N 0.12 1.40 -0.22 4.21 0.00 -1.86 -2.54 119.26 120.36 2wfc h ALA 179 Ca -0.45 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2wfc h ALA 179 Cb 1.19 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2wfc h ALA 179 CO 0.62 -0.33 0.01 -1.35 0.00 0.00 0.00 179.25 178.19 2wfc h PRO 180 N 0.40 0.32 -0.28 0.00 0.11 -1.93 -0.96 132.00 129.66 2wfc h PRO 180 Ca 0.55 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.58 2wfc h PRO 180 Cb 1.02 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2wfc h PRO 180 CO -0.52 0.34 0.07 -0.97 -0.21 0.00 0.00 178.00 176.71 2wfc h ASN 181 N 0.31 0.43 -0.61 -2.05 -1.24 -1.76 -2.06 115.58 108.61 2wfc h ASN 181 Ca 0.07 -0.23 0.04 0.00 0.71 0.00 0.00 56.30 56.90 2wfc h ASN 181 Cb 0.21 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.10 2wfc h ASN 181 CO 0.00 0.54 0.35 0.40 -1.29 0.00 0.00 177.43 177.44 2wfc h ILE 182 N 0.29 1.02 -0.97 2.57 1.08 -1.43 -1.38 117.51 118.69 2wfc h ILE 182 Ca 0.09 -0.23 0.04 0.00 -0.39 0.00 0.00 64.86 64.36 2wfc h ILE 182 Cb 0.28 0.28 -0.06 0.00 -3.07 0.00 0.00 36.82 34.25 2wfc h ILE 182 CO 0.00 0.12 0.64 -0.07 -0.69 0.00 0.00 178.15 178.15 2wfc h LEU 183 N 0.68 1.06 -0.56 1.44 3.38 -0.99 0.19 115.31 120.51 2wfc h LEU 183 Ca 0.26 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2wfc h LEU 183 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2wfc h LEU 183 CO -0.13 0.72 0.19 0.28 0.09 0.00 0.00 178.44 179.58 2wfc h SER 184 N 1.22 0.81 0.25 -0.43 0.02 -0.81 -0.85 113.55 113.76 2wfc h SER 184 Ca 0.39 -0.20 -0.16 0.00 -0.84 0.00 0.00 61.79 60.98 2wfc h SER 184 Cb 0.01 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2wfc h SER 184 CO -0.13 0.79 -0.64 1.56 -1.14 0.00 0.00 176.83 177.28 2wfc h GLN 185 N 0.79 0.37 0.00 3.45 4.20 -0.67 -2.31 115.11 120.94 2wfc h GLN 185 Ca 0.18 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 2wfc h GLN 185 Cb 0.27 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2wfc h GLN 185 CO -0.01 0.89 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.62 2wfc h LEU 186 N 0.27 0.00 0.00 1.46 3.38 -0.55 -3.51 115.31 116.36 2wfc h LEU 186 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wfc h LEU 186 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2wfc h LEU 186 CO 0.11 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.60