#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wfc n ILE 30 N 0.00 1.78 -4.34 4.25 3.06 -0.56 -4.96 119.36 118.59 2wfc n ILE 30 Ca 0.00 -0.50 -0.28 0.00 -2.50 0.00 0.00 62.75 59.47 2wfc n ILE 30 Cb 0.00 -0.55 -0.11 0.00 0.54 0.00 0.00 39.64 39.52 2wfc n ILE 30 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2wfc s LYS 31 N -1.57 1.80 0.15 9.51 1.02 -1.26 -4.99 119.74 124.40 2wfc s LYS 31 Ca 0.63 -1.33 -0.34 0.00 0.02 0.00 0.00 55.97 54.95 2wfc s LYS 31 Cb -0.61 -2.04 -0.16 0.00 -0.52 0.00 0.00 37.83 34.50 2wfc s LYS 31 CO 0.58 0.44 1.24 0.39 -0.92 0.00 0.00 175.35 177.08 2wfc n GLU 32 N 0.32 1.23 0.00 1.68 1.02 -1.26 -1.60 120.64 122.04 2wfc n GLU 32 Ca -0.13 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2wfc n GLU 32 Cb 0.55 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 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 2.22 1.14 3.80 0.62 0.00 0.95 -5.01 105.19 108.91 2wfc n GLY 33 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.78 7.19 0.32 1.61 1.01 -0.62 -4.80 116.67 119.59 2wfc s ASP 34 Ca 0.00 1.55 -0.29 0.00 0.71 0.00 0.00 52.55 54.52 2wfc s ASP 34 Cb 0.00 -2.47 -0.10 0.00 1.01 0.00 0.00 42.92 41.36 2wfc s ASP 34 CO 0.00 0.06 1.27 -0.54 0.21 0.00 0.00 175.17 176.16 2wfc s LYS 35 N -1.79 4.41 0.37 8.23 3.01 -1.26 -0.15 119.74 132.56 2wfc s LYS 35 Ca 0.42 2.14 -0.28 0.00 -1.01 0.00 0.00 55.97 57.24 2wfc s LYS 35 Cb -0.19 -3.09 -0.10 0.00 -1.01 0.00 0.00 37.83 33.44 2wfc s LYS 35 CO 0.23 -0.11 1.39 -0.51 0.51 0.00 0.00 175.35 176.85 2wfc s LEU 36 N -1.72 4.33 0.43 3.17 1.43 -0.07 -4.89 118.68 121.37 2wfc s LEU 36 Ca 0.48 2.85 -0.23 0.00 -1.03 0.00 0.00 54.13 56.19 2wfc s LEU 36 Cb -0.38 -3.72 -0.08 0.00 0.03 0.00 0.00 46.19 42.04 2wfc s LEU 36 CO 0.51 -0.76 1.11 -2.16 0.23 0.00 0.00 176.35 175.27 2wfc s PRO 37 N -2.03 3.95 -0.43 1.29 0.04 -1.26 -4.47 135.00 132.10 2wfc s PRO 37 Ca 0.52 1.65 -0.07 0.00 0.04 0.00 0.00 61.00 63.15 2wfc s PRO 37 Cb -0.42 -2.47 -0.20 0.00 0.04 0.00 0.00 34.50 31.44 2wfc s PRO 37 CO 0.57 -0.36 3.41 0.00 0.04 0.00 0.00 177.00 180.66 2wfc n ALA 38 N -0.29 6.67 -2.69 8.56 0.00 -1.26 -3.47 120.51 128.03 2wfc n ALA 38 Ca 0.06 -2.33 -0.37 0.00 0.00 0.00 0.00 53.44 50.80 2wfc n ALA 38 Cb 0.49 -2.57 -0.06 0.00 0.00 0.00 0.00 19.45 17.31 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 1.07 5.27 -0.13 0.00 1.01 -1.26 -4.74 120.40 121.61 2wfc s VAL 39 Ca 0.67 0.53 -0.29 0.00 0.00 0.00 0.00 61.98 62.89 2wfc s VAL 39 Cb 0.29 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2wfc s VAL 39 CO -0.03 0.60 1.00 -0.89 0.00 0.00 0.00 175.10 175.78 2wfc s THR 40 N -1.04 4.77 0.44 3.92 2.01 -1.26 -1.61 115.64 122.87 2wfc s THR 40 Ca 0.19 2.02 0.02 0.00 0.31 0.00 0.00 61.69 64.23 2wfc s THR 40 Cb -0.14 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.08 2wfc s THR 40 CO 0.09 -0.02 0.14 1.33 -0.69 0.00 0.00 174.62 175.47 2wfc n VAL 41 N 4.67 0.00 -4.36 3.82 0.24 0.38 -4.84 118.33 118.24 2wfc n VAL 41 Ca 0.09 -1.91 -0.20 0.00 -2.04 0.00 0.00 64.34 60.28 2wfc n VAL 41 Cb 0.48 0.19 -0.13 0.00 -1.47 0.00 0.00 33.84 32.91 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 -2.41 1.16 0.00 6.34 0.08 -0.02 -1.05 117.98 122.08 2wfc s PHE 42 Ca 0.11 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.82 2wfc s PHE 42 Cb -0.01 -0.70 0.00 0.00 -0.57 0.00 0.00 43.02 41.74 2wfc s PHE 42 CO 0.07 0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.62 2wfc n GLY 43 N 2.01 0.66 0.27 4.36 0.00 0.44 -0.59 105.19 112.34 2wfc n GLY 43 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.53 1.33 -2.31 4.61 0.00 -1.83 -3.44 119.26 116.09 2wfc h ALA 44 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 54.91 54.41 2wfc h ALA 44 Cb 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 17.79 17.49 2wfc h ALA 44 CO 0.00 0.46 -0.65 0.95 0.00 0.00 0.00 179.25 180.01 2wfc s THR 45 N -4.97 0.59 0.02 0.00 -4.23 -1.26 -4.24 115.64 101.56 2wfc s THR 45 Ca -0.08 -1.98 0.28 0.00 -1.18 0.00 0.00 61.69 58.73 2wfc s THR 45 Cb 0.15 -2.21 0.28 0.00 1.34 0.00 0.00 72.50 72.06 2wfc s THR 45 CO 0.77 -0.38 1.85 -0.65 -0.54 0.00 0.00 174.62 175.68 2wfc h PRO 46 N 2.65 0.00 -0.00 3.99 0.11 -1.94 -0.29 132.00 136.52 2wfc h PRO 46 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2wfc h PRO 46 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wfc h PRO 46 CO 0.62 0.00 -0.34 0.09 -0.21 0.00 0.00 178.00 178.16 2wfc n ASN 47 N -2.48 0.39 -4.34 -2.05 4.13 -1.26 -4.70 115.26 104.96 2wfc n ASN 47 Ca -0.02 -0.10 -0.46 0.00 1.68 0.00 0.00 54.58 55.68 2wfc n ASN 47 Cb 0.05 0.03 -0.03 0.00 -1.54 0.00 0.00 39.78 38.29 2wfc n ASN 47 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2wfc s ASP 48 N -2.95 6.51 0.11 6.41 1.01 -0.12 -5.04 116.67 122.60 2wfc s ASP 48 Ca 0.13 -2.21 -0.08 0.00 0.71 0.00 0.00 52.55 51.10 2wfc s ASP 48 Cb 0.18 -2.24 -0.06 0.00 1.01 0.00 0.00 42.92 41.81 2wfc s ASP 48 CO 0.63 -0.77 0.40 -1.59 0.21 0.00 0.00 175.17 174.05 2wfc s LYS 49 N 1.13 3.70 -0.04 8.23 -2.85 -1.26 -0.42 119.74 128.23 2wfc s LYS 49 Ca 0.14 0.07 -0.01 0.00 -1.00 0.00 0.00 55.97 55.17 2wfc s LYS 49 Cb -0.17 -2.92 0.03 0.00 -2.06 0.00 0.00 37.83 32.71 2wfc s LYS 49 CO -0.04 0.51 0.04 0.08 0.10 0.00 0.00 175.35 176.05 2wfc s VAL 50 N -1.52 -0.01 -0.27 1.79 1.01 -0.22 -4.88 120.40 116.30 2wfc s VAL 50 Ca 0.37 0.32 -0.20 0.00 0.00 0.00 0.00 61.98 62.46 2wfc s VAL 50 Cb -0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 2wfc s VAL 50 CO 0.21 0.17 0.61 0.21 0.00 0.00 0.00 175.10 176.29 2wfc s ASN 51 N 1.81 6.53 0.15 3.32 3.84 -1.26 -0.47 114.94 128.85 2wfc s ASN 51 Ca 0.01 0.58 0.18 0.00 0.21 0.00 0.00 52.86 53.84 2wfc s ASN 51 Cb -0.12 -2.32 0.79 0.00 -0.55 0.00 0.00 41.25 39.04 2wfc s ASN 51 CO -0.03 -0.39 1.56 0.23 -2.79 0.00 0.00 177.10 175.67 2wfc n MET 52 N 5.74 0.10 0.13 0.43 2.81 -0.63 -1.15 117.12 124.55 2wfc n MET 52 Ca -0.01 0.39 0.01 0.00 -1.81 0.00 0.00 57.70 56.28 2wfc n MET 52 Cb 0.49 -1.71 0.04 0.00 -0.71 0.00 0.00 33.22 31.33 2wfc n MET 52 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wfc h ALA 53 N 2.30 0.66 0.03 3.04 0.00 -1.78 -3.35 119.26 120.17 2wfc h ALA 53 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 54.91 54.09 2wfc h ALA 53 Cb 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2wfc h ALA 53 CO 0.00 0.70 -1.76 0.93 0.00 0.00 0.00 179.25 179.12 2wfc h GLU 54 N 0.00 0.07 -0.57 0.00 5.08 -1.51 -3.35 114.58 114.30 2wfc h GLU 54 Ca -0.01 -0.12 0.11 0.00 -1.00 0.00 0.00 59.36 58.35 2wfc h GLU 54 Cb 1.39 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.59 2wfc h GLU 54 CO 0.07 0.68 0.04 1.25 -1.00 0.00 0.00 179.01 180.06 2wfc h LEU 55 N 0.02 -0.16 -2.92 1.33 5.85 -1.52 -2.19 115.31 115.72 2wfc h LEU 55 Ca -0.31 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2wfc h LEU 55 Cb 2.02 0.21 0.00 0.00 0.37 0.00 0.00 40.66 43.26 2wfc h LEU 55 CO 0.08 -0.06 0.00 0.49 -0.34 0.00 0.00 178.44 178.62 2wfc n PHE 56 N -5.21 1.17 -1.72 1.25 3.72 -1.26 -4.93 117.46 110.48 2wfc n PHE 56 Ca 0.08 -0.55 -0.42 0.00 -0.05 0.00 0.00 57.45 56.51 2wfc n PHE 56 Cb 0.31 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 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 -1.35 3.86 -0.77 4.37 0.00 -0.83 -1.15 121.76 125.89 2wfc s ALA 57 Ca 0.49 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.98 2wfc s ALA 57 Cb 0.28 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2wfc s ALA 57 CO 0.29 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.39 2wfc n GLY 58 N 4.11 0.82 3.41 0.00 0.00 -1.26 -4.92 105.19 107.35 2wfc n GLY 58 Ca 0.17 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.32 1.53 -0.14 1.61 1.02 -0.30 -4.87 119.74 116.28 2wfc s LYS 59 Ca 0.00 -1.81 -0.06 0.00 0.02 0.00 0.00 55.97 54.13 2wfc s LYS 59 Cb 0.00 -0.91 -0.04 0.00 -0.52 0.00 0.00 37.83 36.36 2wfc s LYS 59 CO 0.00 -0.08 0.05 0.21 -0.92 0.00 0.00 175.35 174.61 2wfc s LYS 60 N -3.82 3.60 0.09 1.68 2.20 -1.26 -0.05 119.74 122.18 2wfc s LYS 60 Ca 0.32 -0.34 -0.00 0.00 -0.36 0.00 0.00 55.97 55.58 2wfc s LYS 60 Cb 0.06 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 2wfc s LYS 60 CO 0.12 0.46 -0.02 0.20 -0.36 0.00 0.00 175.35 175.76 2wfc s GLY 61 N -0.18 0.71 -0.13 5.54 0.00 0.79 -0.69 107.32 113.36 2wfc s GLY 61 Ca 0.07 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.48 2wfc s GLY 61 CO 0.01 -1.38 -0.19 0.14 0.00 0.00 0.00 173.10 171.69 2wfc s VAL 62 N -3.86 2.45 -0.13 1.40 1.01 -0.17 -0.65 120.40 120.46 2wfc s VAL 62 Ca 0.13 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2wfc s VAL 62 Cb 0.07 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.47 2wfc s VAL 62 CO -0.05 0.54 -0.20 -0.22 0.00 0.00 0.00 175.10 175.16 2wfc s LEU 63 N 0.55 2.00 0.11 3.92 2.96 -0.44 -1.16 118.68 126.62 2wfc s LEU 63 Ca -0.11 -0.55 0.08 0.00 -0.22 0.00 0.00 54.13 53.33 2wfc s LEU 63 Cb -0.16 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 2wfc s LEU 63 CO 0.04 0.07 -0.21 0.72 -1.32 0.00 0.00 176.35 175.65 2wfc s PHE 64 N 0.81 1.82 0.12 5.38 -0.71 -0.09 0.60 117.98 125.91 2wfc s PHE 64 Ca -0.08 -0.42 0.08 0.00 -1.04 0.00 0.00 56.93 55.48 2wfc s PHE 64 Cb -0.16 -0.99 -0.04 0.00 -1.21 0.00 0.00 43.02 40.62 2wfc s PHE 64 CO -0.01 0.22 -0.21 0.00 -1.34 0.00 0.00 175.22 173.88 2wfc s ALA 65 N -1.17 1.89 0.11 1.99 0.00 0.15 -0.17 121.76 124.56 2wfc s ALA 65 Ca 0.07 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.76 2wfc s ALA 65 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2wfc s ALA 65 CO 0.04 0.35 -0.12 0.14 0.00 0.00 0.00 175.76 176.17 2wfc s VAL 66 N -1.34 1.13 0.41 0.00 -7.23 -0.68 -2.90 120.40 109.79 2wfc s VAL 66 Ca 0.09 -1.73 0.19 0.00 -1.81 0.00 0.00 61.98 58.72 2wfc s VAL 66 Cb -0.09 -1.50 0.20 0.00 0.56 0.00 0.00 36.38 35.56 2wfc s VAL 66 CO 0.05 -0.53 1.98 1.55 -0.31 0.00 0.00 175.10 177.84 2wfc h PRO 67 N 3.43 0.00 -1.16 4.82 0.13 -1.84 -3.40 132.00 133.98 2wfc h PRO 67 Ca -0.38 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.96 2wfc h PRO 67 Cb 1.19 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.06 2wfc h PRO 67 CO 0.53 0.21 0.87 0.20 -0.23 0.00 0.00 178.00 179.58 2wfc s GLY 68 N -4.22 0.01 0.40 1.56 0.00 -1.26 -4.42 107.32 99.38 2wfc s GLY 68 Ca -0.03 2.65 -0.25 0.00 0.00 0.00 0.00 44.72 47.09 2wfc s GLY 68 CO 0.66 1.08 1.06 0.00 0.00 0.00 0.00 173.10 175.90 2wfc n ALA 69 N 0.55 0.32 -0.84 3.20 0.00 -1.26 -2.64 120.51 119.84 2wfc n ALA 69 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2wfc n ALA 69 Cb 0.59 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 -0.30 0.00 -2.31 0.00 3.72 -1.26 -5.00 117.46 112.31 2wfc n PHE 70 Ca 0.09 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.12 2wfc n PHE 70 Cb 0.38 -1.09 -0.01 0.00 -0.94 0.00 0.00 39.48 37.82 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 -1.76 3.22 0.05 4.37 -4.23 -1.08 -4.85 115.64 111.35 2wfc s THR 71 Ca 0.00 0.89 -0.25 0.00 -1.18 0.00 0.00 61.69 61.15 2wfc s THR 71 Cb 0.00 -3.44 -0.17 0.00 1.34 0.00 0.00 72.50 70.23 2wfc s THR 71 CO 0.00 -0.04 1.55 1.55 -0.54 0.00 0.00 174.62 177.14 2wfc h PRO 72 N 1.99 -0.18 -0.40 3.99 0.13 -1.94 0.11 132.00 135.70 2wfc h PRO 72 Ca -0.49 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2wfc h PRO 72 Cb 1.24 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2wfc h PRO 72 CO 0.60 0.01 0.23 0.78 -0.23 0.00 0.00 178.00 179.39 2wfc h GLY 73 N -0.34 0.58 0.98 1.56 0.00 -1.97 -0.31 103.07 103.57 2wfc h GLY 73 Ca -0.02 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.10 2wfc h GLY 73 CO 0.03 0.24 0.59 1.76 0.00 0.00 0.00 176.54 179.17 2wfc h SER 74 N 0.52 0.97 0.46 0.19 0.02 -1.87 -1.25 113.55 112.59 2wfc h SER 74 Ca 0.14 -0.01 -0.30 0.00 -0.84 0.00 0.00 61.79 60.78 2wfc h SER 74 Cb 0.02 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2wfc h SER 74 CO -0.03 0.66 -1.45 0.28 -1.14 0.00 0.00 176.83 175.16 2wfc h SER 75 N 1.12 0.49 0.54 3.07 0.02 -0.42 -0.19 113.55 118.18 2wfc h SER 75 Ca 0.36 -0.59 -0.28 0.00 -0.84 0.00 0.00 61.79 60.43 2wfc h SER 75 Cb 0.04 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 2wfc h SER 75 CO -0.11 1.48 -1.61 0.11 -1.14 0.00 0.00 176.83 175.56 2wfc h LYS 76 N 0.08 0.03 0.00 3.45 1.79 -1.03 -3.40 116.57 117.49 2wfc h LYS 76 Ca -0.22 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2wfc h LYS 76 Cb 2.03 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.70 2wfc h LYS 76 CO 0.19 0.65 -0.57 2.41 -1.08 0.00 0.00 179.45 181.05 2wfc n THR 77 N -3.14 0.44 0.18 -0.16 -1.04 -0.53 -4.78 114.28 105.26 2wfc n THR 77 Ca -0.15 0.15 -0.10 0.00 -2.04 0.00 0.00 64.05 61.90 2wfc n THR 77 Cb 1.03 -1.46 -0.06 0.00 -1.82 0.00 0.00 70.33 68.02 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 -0.48 -0.40 -1.42 6.17 -1.35 -1.62 115.15 116.04 2wfc h HIS 78 Ca 0.00 -0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.02 2wfc h HIS 78 Cb 0.57 0.16 -0.02 0.00 2.52 0.00 0.00 27.41 30.65 2wfc h HIS 78 CO 0.00 -0.21 0.05 1.25 0.71 0.00 0.00 177.93 179.74 2wfc h LEU 79 N -1.06 0.65 -1.51 0.26 5.85 -1.30 -2.73 115.31 115.48 2wfc h LEU 79 Ca -0.05 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 2wfc h LEU 79 Cb 0.50 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2wfc h LEU 79 CO 0.09 0.76 -0.23 -0.65 -0.34 0.00 0.00 178.44 178.07 2wfc h PRO 80 N 0.52 0.00 -0.53 5.25 0.11 -1.76 -1.04 132.00 134.55 2wfc h PRO 80 Ca 0.12 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 2wfc h PRO 80 Cb 0.39 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 2wfc h PRO 80 CO 0.01 0.23 0.00 0.78 -0.21 0.00 0.00 178.00 178.81 2wfc h GLY 81 N 1.25 0.97 0.86 -0.55 0.00 -0.98 0.30 103.07 104.93 2wfc h GLY 81 Ca -0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 2wfc h GLY 81 CO 0.03 0.62 -0.35 -0.97 0.00 0.00 0.00 176.54 175.87 2wfc h TYR 82 N 0.83 0.67 -0.33 5.60 0.05 -1.29 -2.68 116.97 119.81 2wfc h TYR 82 Ca 0.16 -0.25 0.02 0.00 0.05 0.00 0.00 58.73 58.71 2wfc h TYR 82 Cb 0.49 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 2wfc h TYR 82 CO 0.03 0.98 0.18 0.28 -1.05 0.00 0.00 178.16 178.58 2wfc h VAL 83 N 0.16 1.01 0.00 -2.88 2.07 -0.98 -2.32 116.25 113.30 2wfc h VAL 83 Ca 0.00 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 2wfc h VAL 83 Cb 0.96 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2wfc h VAL 83 CO 0.08 0.07 -0.23 -0.33 0.02 0.00 0.00 177.57 177.18 2wfc h GLU 84 N 0.37 0.00 -0.46 1.57 5.08 -1.02 -2.96 114.58 117.16 2wfc h GLU 84 Ca 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2wfc h GLU 84 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2wfc h GLU 84 CO -0.08 0.23 0.02 1.04 -1.00 0.00 0.00 179.01 179.22 2wfc n GLN 85 N -3.65 4.02 -0.24 2.33 1.13 -1.01 -4.61 117.38 115.35 2wfc n GLN 85 Ca -0.01 -3.04 -0.04 0.00 -1.94 0.00 0.00 57.00 51.97 2wfc n GLN 85 Cb 0.36 -2.10 0.13 0.00 0.11 0.00 0.00 30.24 28.74 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 3.02 1.16 -0.40 -1.58 0.00 -1.25 -0.55 119.26 119.67 2wfc h ALA 86 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wfc h ALA 86 Cb 1.80 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2wfc h ALA 86 CO 0.41 0.61 0.25 0.00 0.00 0.00 0.00 179.25 180.51 2wfc h ALA 87 N 1.28 0.50 -0.51 0.00 0.00 -1.84 0.99 119.26 119.68 2wfc h ALA 87 Ca 0.24 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2wfc h ALA 87 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2wfc h ALA 87 CO -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.19 2wfc h ALA 88 N 1.12 0.69 0.08 0.00 0.00 -1.73 -0.54 119.26 118.88 2wfc h ALA 88 Ca 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2wfc h ALA 88 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2wfc h ALA 88 CO -0.03 0.51 -0.04 0.82 0.00 0.00 0.00 179.25 180.52 2wfc h ILE 89 N 0.77 1.18 -0.65 0.00 2.04 -0.77 -2.23 117.51 117.86 2wfc h ILE 89 Ca 0.14 -1.06 0.12 0.00 1.00 0.00 0.00 64.86 65.06 2wfc h ILE 89 Cb 0.54 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 2wfc h ILE 89 CO 0.03 0.26 0.44 0.45 0.00 0.00 0.00 178.15 179.32 2wfc h HIS 90 N -0.61 0.40 0.00 1.37 3.86 -0.86 -1.62 115.15 117.70 2wfc h HIS 90 Ca -0.01 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wfc h HIS 90 Cb 0.50 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 2wfc h HIS 90 CO 0.08 0.17 -0.02 0.78 0.86 0.00 0.00 177.93 179.81 2wfc h GLY 91 N 0.37 0.00 -3.41 2.45 0.00 -0.49 -2.21 103.07 99.78 2wfc h GLY 91 Ca 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.58 2wfc h GLY 91 CO -0.08 0.00 0.08 0.28 0.00 0.00 0.00 176.54 176.81 2wfc n LYS 92 N -3.52 4.29 -0.19 4.80 4.76 -0.61 -4.89 118.16 122.79 2wfc n LYS 92 Ca -0.03 -2.88 0.00 0.00 -2.87 0.00 0.00 58.31 52.54 2wfc n LYS 92 Cb 0.11 -2.19 0.00 0.00 -1.84 0.00 0.00 35.03 31.11 2wfc n LYS 92 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wfc n GLY 93 N 0.38 0.65 3.67 0.72 0.00 -0.83 -4.97 105.19 104.79 2wfc n GLY 93 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.33 4.75 0.06 1.61 1.01 -1.22 -4.58 120.40 119.71 2wfc s VAL 94 Ca 0.00 1.93 -0.10 0.00 0.00 0.00 0.00 61.98 63.81 2wfc s VAL 94 Cb 0.00 -4.27 -0.30 0.00 0.00 0.00 0.00 36.38 31.82 2wfc s VAL 94 CO 0.00 -0.09 1.11 0.44 0.00 0.00 0.00 175.10 176.56 2wfc h ASP 95 N 7.37 0.65 -3.42 3.32 3.32 -1.23 -3.38 116.42 123.04 2wfc h ASP 95 Ca -0.24 -0.66 -0.32 0.00 0.02 0.00 0.00 57.03 55.83 2wfc h ASP 95 Cb 1.10 -0.21 -0.36 0.00 0.22 0.00 0.00 39.33 40.08 2wfc h ASP 95 CO 0.92 1.50 -0.72 -0.63 -1.72 0.00 0.00 179.24 178.58 2wfc s ILE 96 N -2.77 -0.09 -0.16 0.35 1.01 -1.15 -5.05 121.20 113.34 2wfc s ILE 96 Ca -0.07 0.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.84 2wfc s ILE 96 Cb 0.06 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.38 2wfc s ILE 96 CO 0.91 0.12 -0.01 -0.63 0.00 0.00 0.00 174.94 175.33 2wfc s ILE 97 N 1.54 4.08 0.03 2.92 1.01 -1.26 -1.00 121.20 128.52 2wfc s ILE 97 Ca -0.03 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.35 2wfc s ILE 97 Cb -0.13 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 2wfc s ILE 97 CO -0.03 0.48 -0.07 0.00 0.00 0.00 0.00 174.94 175.32 2wfc s ALA 98 N 0.39 0.51 -0.12 9.38 0.00 -0.31 -0.65 121.76 130.96 2wfc s ALA 98 Ca -0.02 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.33 2wfc s ALA 98 Cb -0.14 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2wfc s ALA 98 CO 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 175.76 175.62 2wfc s MET 100 N 0.34 2.87 -0.02 0.00 0.00 0.76 -0.48 119.30 122.78 2wfc s MET 100 Ca -0.14 -0.52 -0.13 0.00 0.00 0.00 0.00 55.69 54.91 2wfc s MET 100 Cb -0.17 -2.66 0.02 0.00 0.00 0.00 0.00 34.83 32.03 2wfc s MET 100 CO 0.07 0.64 0.28 0.00 0.00 0.00 0.00 175.02 176.01 2wfc s ALA 101 N -0.74 -0.70 -1.25 4.11 0.00 -0.84 -1.68 121.76 120.66 2wfc s ALA 101 Ca 0.11 0.32 -0.18 0.00 0.00 0.00 0.00 51.96 52.21 2wfc s ALA 101 Cb -0.11 0.00 0.08 0.00 0.00 0.00 0.00 23.12 23.09 2wfc s ALA 101 CO 0.02 -0.24 1.67 0.08 0.00 0.00 0.00 175.76 177.29 2wfc s VAL 102 N -1.13 4.18 0.16 0.00 1.01 -1.26 -0.97 120.40 122.38 2wfc s VAL 102 Ca -0.12 -1.82 -0.10 0.00 0.00 0.00 0.00 61.98 59.94 2wfc s VAL 102 Cb -0.05 -5.15 -0.00 0.00 0.00 0.00 0.00 36.38 31.18 2wfc s VAL 102 CO 0.03 -1.98 0.32 0.20 0.00 0.00 0.00 175.10 173.67 2wfc s ASN 103 N 4.21 -0.01 0.75 3.32 0.01 -1.26 -4.87 114.94 117.10 2wfc s ASN 103 Ca 0.52 -0.77 -0.11 0.00 -0.71 0.00 0.00 52.86 51.78 2wfc s ASN 103 Cb 0.03 0.45 0.04 0.00 0.41 0.00 0.00 41.25 42.18 2wfc s ASN 103 CO 0.05 -0.90 1.09 1.51 -1.51 0.00 0.00 177.10 177.34 2wfc s ASP 104 N -2.94 5.02 0.32 -1.22 1.47 -1.26 -3.21 116.67 114.85 2wfc s ASP 104 Ca 0.14 1.26 0.04 0.00 1.18 0.00 0.00 52.55 55.17 2wfc s ASP 104 Cb 0.03 -2.04 0.56 0.00 -0.34 0.00 0.00 42.92 41.13 2wfc s ASP 104 CO -0.02 -1.63 1.85 0.28 0.68 0.00 0.00 175.17 176.33 2wfc h SER 105 N -0.85 0.50 -0.33 2.11 0.02 -1.88 -1.66 113.55 111.46 2wfc h SER 105 Ca -0.46 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.27 2wfc h SER 105 Cb 1.26 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 2wfc h SER 105 CO 0.61 0.60 -0.23 -0.26 -1.14 0.00 0.00 176.83 176.41 2wfc h PHE 106 N 0.50 0.86 -0.19 3.45 0.04 -1.88 0.43 116.94 120.16 2wfc h PHE 106 Ca 0.10 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 2wfc h PHE 106 Cb 0.38 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 2wfc h PHE 106 CO 0.01 0.98 0.05 0.28 -0.60 0.00 0.00 178.31 179.03 2wfc h VAL 107 N 0.50 1.20 -0.52 -0.55 2.07 -1.89 -2.39 116.25 114.68 2wfc h VAL 107 Ca 0.06 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 2wfc h VAL 107 Cb 0.79 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2wfc h VAL 107 CO 0.06 0.20 0.15 -0.03 0.02 0.00 0.00 177.57 177.97 2wfc h MET 108 N 0.12 0.81 -0.09 1.57 1.85 -1.16 -1.29 114.93 116.75 2wfc h MET 108 Ca 0.06 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 58.97 2wfc h MET 108 Cb 0.26 -0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.17 2wfc h MET 108 CO 0.00 0.76 0.06 0.22 -0.40 0.00 0.00 176.91 177.55 2wfc h ASP 109 N 0.72 0.10 -0.82 1.39 3.58 -0.89 -1.27 116.42 119.23 2wfc h ASP 109 Ca 0.17 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.64 2wfc h ASP 109 Cb 0.29 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.27 2wfc h ASP 109 CO -0.00 0.09 0.54 0.00 -2.88 0.00 0.00 179.24 176.98 2wfc h ALA 110 N 1.02 1.53 -0.24 -0.78 0.00 -1.22 -1.95 119.26 117.61 2wfc h ALA 110 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2wfc h ALA 110 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2wfc h ALA 110 CO -0.01 0.38 -0.08 2.35 0.00 0.00 0.00 179.25 181.89 2wfc h TRP 111 N 0.98 0.55 -0.57 0.00 7.01 -0.89 -0.26 115.95 122.77 2wfc h TRP 111 Ca 0.33 -0.13 0.05 0.00 2.11 0.00 0.00 58.89 61.25 2wfc h TRP 111 Cb 0.08 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 26.96 2wfc h TRP 111 CO -0.00 0.73 0.31 0.78 -2.79 0.00 0.00 178.44 177.46 2wfc h GLY 112 N 0.22 0.82 1.67 2.65 0.00 -0.97 -2.52 103.07 104.93 2wfc h GLY 112 Ca 0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 2wfc h GLY 112 CO 0.03 0.14 -0.13 0.50 0.00 0.00 0.00 176.54 177.08 2wfc h LYS 113 N 0.59 0.40 0.00 4.80 1.57 -1.13 -1.21 116.57 121.59 2wfc h LYS 113 Ca 0.25 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2wfc h LYS 113 Cb 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2wfc h LYS 113 CO -0.16 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.25 2wfc h ALA 114 N 1.50 1.00 0.00 3.86 0.00 -0.60 -3.15 119.26 121.86 2wfc h ALA 114 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wfc h ALA 114 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wfc h ALA 114 CO 0.03 0.00 -0.07 0.72 0.00 0.00 0.00 179.25 179.92 2wfc n HIS 115 N -2.82 0.00 -3.22 0.00 8.25 -0.53 -5.01 115.22 111.90 2wfc n HIS 115 Ca -0.01 -0.98 -0.23 0.00 -0.26 0.00 0.00 57.72 56.24 2wfc n HIS 115 Cb 0.14 -0.15 0.02 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.32 -0.51 0.29 -1.41 0.00 -0.93 -4.90 105.19 96.40 2wfc n GLY 116 Ca 0.15 0.12 0.19 0.00 0.00 0.00 0.00 46.02 46.48 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 0.99 1.00 -1.36 4.61 0.00 -1.65 -3.45 119.26 119.40 2wfc h ALA 117 Ca -0.50 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 53.67 2wfc h ALA 117 Cb 1.34 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.17 2wfc h ALA 117 CO 0.56 0.00 0.40 -0.25 0.00 0.00 0.00 179.25 179.96 2wfc n ASP 118 N -3.00 1.12 0.00 0.00 10.43 -1.26 -0.81 116.55 123.02 2wfc n ASP 118 Ca -0.01 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.49 2wfc n ASP 118 Cb 0.21 -1.06 0.00 0.00 1.84 0.00 0.00 41.12 42.11 2wfc n ASP 118 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2wfc n ASP 119 N 2.68 -2.27 -0.03 -2.24 8.00 -1.26 -4.72 116.55 116.71 2wfc n ASP 119 Ca 0.21 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.64 2wfc n ASP 119 Cb 0.12 -2.60 -0.02 0.00 -0.02 0.00 0.00 41.12 38.60 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 -0.98 0.16 -3.97 -1.24 5.02 0.01 -5.01 118.16 112.14 2wfc n LYS 120 Ca 0.00 0.07 -0.27 0.00 -2.02 0.00 0.00 58.31 56.09 2wfc n LYS 120 Cb 0.18 -0.76 -0.17 0.00 -0.02 0.00 0.00 35.03 34.25 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 -2.15 1.12 0.04 -0.18 1.01 -0.56 -4.41 120.40 115.26 2wfc s VAL 121 Ca -0.10 -0.36 -0.31 0.00 0.00 0.00 0.00 61.98 61.22 2wfc s VAL 121 Cb 0.04 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 2wfc s VAL 121 CO 0.13 0.38 1.31 -1.10 0.00 0.00 0.00 175.10 175.82 2wfc s GLN 122 N 1.60 4.35 -0.29 2.72 -0.21 0.18 -4.62 119.66 123.38 2wfc s GLN 122 Ca 0.04 1.90 -0.11 0.00 0.02 0.00 0.00 55.36 57.21 2wfc s GLN 122 Cb -0.13 -3.42 -0.04 0.00 1.00 0.00 0.00 33.01 30.43 2wfc s GLN 122 CO -0.08 -0.43 0.19 -1.64 -2.12 0.00 0.00 175.29 171.21 2wfc s MET 123 N 1.63 3.74 -0.10 2.91 -1.94 -1.26 -0.62 119.30 123.65 2wfc s MET 123 Ca 0.61 -0.46 0.03 0.00 -1.71 0.00 0.00 55.69 54.16 2wfc s MET 123 Cb -0.31 -3.65 -0.01 0.00 2.01 0.00 0.00 34.83 32.87 2wfc s MET 123 CO 0.28 -0.27 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.30 2wfc s LEU 124 N 1.72 2.28 -0.17 -0.03 1.43 0.37 -4.60 118.68 119.68 2wfc s LEU 124 Ca 0.06 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 2wfc s LEU 124 Cb -0.16 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 2wfc s LEU 124 CO 0.10 0.17 0.05 0.00 0.23 0.00 0.00 176.35 176.90 2wfc s ALA 125 N 0.29 3.38 -0.64 4.21 0.00 0.25 -1.99 121.76 127.25 2wfc s ALA 125 Ca -0.15 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.12 2wfc s ALA 125 Cb -0.17 -1.87 0.23 0.00 0.00 0.00 0.00 23.12 21.31 2wfc s ALA 125 CO 0.08 0.21 0.67 -3.47 0.00 0.00 0.00 175.76 173.25 2wfc n ASP 126 N 3.44 3.40 -0.24 0.00 2.03 -0.15 -0.84 116.55 124.19 2wfc n ASP 126 Ca -0.17 -3.35 -0.07 0.00 0.52 0.00 0.00 54.79 51.72 2wfc n ASP 126 Cb 0.52 -0.69 0.04 0.00 -0.72 0.00 0.00 41.12 40.27 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 4.49 1.01 -0.29 -0.67 0.11 -1.80 -1.13 132.00 133.72 2wfc h PRO 127 Ca 0.18 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2wfc h PRO 127 Cb 0.69 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2wfc h PRO 127 CO 0.79 0.87 0.00 0.41 -0.21 0.00 0.00 178.00 179.86 2wfc n GLY 128 N -0.77 0.68 2.21 -0.55 0.00 -1.26 -4.56 105.19 100.94 2wfc n GLY 128 Ca 0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 1.17 0.44 0.23 -0.02 0.00 -0.43 -4.94 105.19 101.65 2wfc n GLY 129 Ca 0.15 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.67 -0.34 4.61 0.00 -1.92 0.14 119.26 122.42 2wfc h ALA 130 Ca -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2wfc h ALA 130 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2wfc h ALA 130 CO 0.02 0.23 0.06 0.35 0.00 0.00 0.00 179.25 179.92 2wfc h PHE 131 N 0.69 0.59 -0.88 0.00 3.57 -1.90 -1.14 116.94 117.88 2wfc h PHE 131 Ca 0.18 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2wfc h PHE 131 Cb 0.12 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 2wfc h PHE 131 CO -0.01 0.62 0.56 1.15 -2.23 0.00 0.00 178.31 178.40 2wfc h THR 132 N 0.40 1.09 -0.37 4.41 2.02 -1.85 -1.18 112.91 117.44 2wfc h THR 132 Ca 0.11 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2wfc h THR 132 Cb 0.34 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 2wfc h THR 132 CO 0.00 0.19 0.15 0.50 0.37 0.00 0.00 175.52 176.74 2wfc h LYS 133 N 1.05 0.54 0.00 6.66 3.64 -0.54 -1.22 116.57 126.70 2wfc h LYS 133 Ca 0.37 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 2wfc h LYS 133 Cb 0.09 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2wfc h LYS 133 CO -0.15 0.51 -0.11 0.00 -2.27 0.00 0.00 179.45 177.44 2wfc h ALA 134 N 1.00 1.64 -0.43 5.00 0.00 -0.39 0.17 119.26 126.25 2wfc h ALA 134 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wfc h ALA 134 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wfc h ALA 134 CO -0.01 0.14 0.00 1.33 0.00 0.00 0.00 179.25 180.71 2wfc n VAL 135 N -4.15 0.56 -3.68 0.00 0.24 -0.52 -4.90 118.33 105.88 2wfc n VAL 135 Ca -0.03 -0.71 -0.22 0.00 -2.04 0.00 0.00 64.34 61.34 2wfc n VAL 135 Cb 0.19 0.71 0.05 0.00 -1.47 0.00 0.00 33.84 33.31 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 1.26 -2.27 -0.41 -1.34 2.03 0.05 -1.50 116.55 114.37 2wfc n ASP 136 Ca 0.19 -0.76 0.07 0.00 0.52 0.00 0.00 54.79 54.82 2wfc n ASP 136 Cb 0.54 -4.29 0.18 0.00 -0.72 0.00 0.00 41.12 36.83 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 -4.37 1.52 -2.22 -0.67 2.81 -0.50 -3.55 117.12 110.14 2wfc n MET 137 Ca -0.22 -2.96 -0.41 0.00 -1.81 0.00 0.00 57.70 52.31 2wfc n MET 137 Cb 0.64 -1.59 -0.03 0.00 -0.71 0.00 0.00 33.22 31.54 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 -3.06 4.43 -0.12 0.03 2.02 -1.25 -0.28 118.70 120.47 2wfc s GLU 138 Ca 0.36 2.09 0.00 0.00 0.02 0.00 0.00 54.97 57.44 2wfc s GLU 138 Cb 0.33 -3.13 0.02 0.00 0.10 0.00 0.00 34.13 31.46 2wfc s GLU 138 CO -0.01 -0.12 -0.10 -1.17 0.02 0.00 0.00 175.26 173.88 2wfc s LEU 139 N -1.27 1.35 -1.09 1.80 2.96 0.62 -4.63 118.68 118.41 2wfc s LEU 139 Ca 0.50 -0.34 -0.21 0.00 -0.22 0.00 0.00 54.13 53.85 2wfc s LEU 139 Cb -0.37 -0.92 0.06 0.00 0.50 0.00 0.00 46.19 45.46 2wfc s LEU 139 CO 0.46 -0.09 1.50 -0.62 -1.32 0.00 0.00 176.35 176.29 2wfc s ASP 140 N 1.55 6.60 -0.36 3.68 -1.08 -1.26 -1.65 116.67 124.14 2wfc s ASP 140 Ca 0.03 -1.75 0.05 0.00 -0.52 0.00 0.00 52.55 50.36 2wfc s ASP 140 Cb -0.13 -2.56 0.62 0.00 -1.46 0.00 0.00 42.92 39.39 2wfc s ASP 140 CO -0.07 -1.39 1.78 0.18 0.52 0.00 0.00 175.17 176.18 2wfc n LEU 141 N 8.60 6.12 -0.29 -1.34 4.77 -1.25 -4.65 117.00 128.96 2wfc n LEU 141 Ca 0.36 -3.24 0.02 0.00 -0.03 0.00 0.00 56.01 53.12 2wfc n LEU 141 Cb 0.50 -0.78 0.21 0.00 -2.33 0.00 0.00 43.42 41.02 2wfc n LEU 141 CO 0.68 0.91 1.26 0.28 -1.33 0.00 0.00 177.39 179.19 2wfc h SER 142 N 1.39 0.95 -0.13 -1.43 0.02 -1.83 0.12 113.55 112.63 2wfc h SER 142 Ca 0.46 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.38 2wfc h SER 142 Cb 2.51 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 64.82 2wfc h SER 142 CO 0.88 0.65 0.05 0.00 -1.14 0.00 0.00 176.83 177.27 2wfc h ALA 143 N 1.49 1.72 0.00 3.77 0.00 -1.88 -1.63 119.26 122.73 2wfc h ALA 143 Ca 0.35 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.95 2wfc h ALA 143 Cb 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2wfc h ALA 143 CO -0.10 0.22 -1.66 0.28 0.00 0.00 0.00 179.25 177.99 2wfc n VAL 144 N -4.42 1.20 1.02 0.00 0.31 -0.51 -4.70 118.33 111.22 2wfc n VAL 144 Ca -0.00 -0.12 0.11 0.00 -0.01 0.00 0.00 64.34 64.32 2wfc n VAL 144 Cb 0.14 -1.89 0.03 0.00 -0.91 0.00 0.00 33.84 31.21 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 -3.99 0.99 0.00 7.52 4.77 0.29 -4.98 117.00 121.61 2wfc n LEU 145 Ca -0.30 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 2wfc n LEU 145 Cb 0.65 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2wfc n LEU 145 CO 0.06 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2wfc n GLY 146 N 1.48 2.72 3.40 -0.72 0.00 -0.61 -4.98 105.19 106.47 2wfc n GLY 146 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.07 0.43 0.22 1.61 4.22 -1.25 -4.76 114.94 114.34 2wfc s ASN 147 Ca 0.00 -1.32 -0.30 0.00 -2.14 0.00 0.00 52.86 49.10 2wfc s ASN 147 Cb 0.00 0.53 -0.10 0.00 1.28 0.00 0.00 41.25 42.96 2wfc s ASN 147 CO 0.00 -1.07 1.42 -0.69 -2.04 0.00 0.00 177.10 174.72 2wfc s VAL 148 N -3.77 2.81 0.35 3.54 1.01 -1.26 -3.00 120.40 120.08 2wfc s VAL 148 Ca 0.32 0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.97 2wfc s VAL 148 Cb 0.02 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 2wfc s VAL 148 CO 0.15 0.10 0.03 0.54 0.00 0.00 0.00 175.10 175.92 2wfc n ARG 149 N 2.63 0.98 -3.39 2.72 5.12 -0.66 -4.90 116.66 119.16 2wfc n ARG 149 Ca 0.07 -2.67 -0.38 0.00 -1.93 0.00 0.00 57.85 52.94 2wfc n ARG 149 Cb 0.41 0.91 -0.06 0.00 -1.16 0.00 0.00 32.46 32.56 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 -2.99 6.93 0.67 0.55 0.15 -1.26 -0.28 113.70 117.46 2wfc s SER 150 Ca 0.04 1.10 -0.17 0.00 0.70 0.00 0.00 55.95 57.62 2wfc s SER 150 Cb 0.00 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.98 2wfc s SER 150 CO 0.03 0.29 0.84 0.29 1.20 0.00 0.00 173.24 175.89 2wfc n LYS 151 N 1.82 0.58 -2.60 5.44 5.02 0.62 -3.56 118.16 125.48 2wfc n LYS 151 Ca -0.12 0.24 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 2wfc n LYS 151 Cb 0.52 -2.08 -0.03 0.00 -0.02 0.00 0.00 35.03 33.42 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 -2.93 4.47 0.19 1.97 3.52 0.25 -4.39 118.95 122.03 2wfc s ARG 152 Ca 0.72 1.53 -0.19 0.00 -0.13 0.00 0.00 55.73 57.67 2wfc s ARG 152 Cb -0.38 -3.47 0.04 0.00 -1.56 0.00 0.00 34.95 29.59 2wfc s ARG 152 CO 0.51 -0.21 0.55 1.52 -0.81 0.00 0.00 175.30 176.85 2wfc s TYR 153 N 1.40 -0.24 0.03 5.12 -0.85 -1.14 -1.95 117.35 119.72 2wfc s TYR 153 Ca 0.53 -0.07 0.04 0.00 -0.52 0.00 0.00 57.07 57.05 2wfc s TYR 153 Cb -0.23 0.45 -0.02 0.00 0.38 0.00 0.00 41.96 42.54 2wfc s TYR 153 CO 0.25 -0.90 -0.12 -1.54 -1.52 0.00 0.00 175.55 171.72 2wfc s SER 154 N -2.84 1.35 0.06 -0.18 1.04 0.02 -0.68 113.70 112.48 2wfc s SER 154 Ca 0.06 -0.43 0.07 0.00 0.48 0.00 0.00 55.95 56.14 2wfc s SER 154 Cb -0.01 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 2wfc s SER 154 CO -0.06 -0.01 -0.20 -0.76 0.98 0.00 0.00 173.24 173.19 2wfc s LEU 155 N -1.10 2.21 -0.15 2.42 1.43 0.20 -0.53 118.68 123.16 2wfc s LEU 155 Ca -0.01 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.44 2wfc s LEU 155 Cb -0.08 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 2wfc s LEU 155 CO 0.01 0.12 0.11 -0.69 0.23 0.00 0.00 176.35 176.13 2wfc s VAL 156 N -0.93 5.25 -0.03 -1.59 1.01 -0.67 -1.33 120.40 122.12 2wfc s VAL 156 Ca 0.07 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.21 2wfc s VAL 156 Cb -0.09 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 2wfc s VAL 156 CO 0.03 0.53 -0.16 -0.63 0.00 0.00 0.00 175.10 174.87 2wfc s ILE 157 N -0.33 1.29 -0.15 2.22 1.01 0.18 0.06 121.20 125.48 2wfc s ILE 157 Ca 0.11 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 2wfc s ILE 157 Cb -0.12 -1.10 0.05 0.00 0.01 0.00 0.00 42.46 41.30 2wfc s ILE 157 CO 0.01 0.37 0.00 -1.61 0.00 0.00 0.00 174.94 173.72 2wfc s GLU 158 N -0.13 0.85 -1.47 2.79 2.02 -0.08 -0.15 118.70 122.54 2wfc s GLU 158 Ca 0.01 -0.29 -0.09 0.00 0.02 0.00 0.00 54.97 54.62 2wfc s GLU 158 Cb -0.09 -1.74 0.06 0.00 0.10 0.00 0.00 34.13 32.46 2wfc s GLU 158 CO 0.01 -0.48 0.82 -3.47 0.02 0.00 0.00 175.26 172.16 2wfc n ASP 159 N 5.03 -3.12 0.00 -0.19 2.03 0.93 -1.63 116.55 119.61 2wfc n ASP 159 Ca -0.09 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.38 2wfc n ASP 159 Cb 0.48 -3.72 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 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 -1.67 0.94 3.60 0.27 0.00 -1.11 -4.60 105.19 102.62 2wfc n GLY 160 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.76 4.52 0.01 1.61 1.01 -0.65 -0.89 120.40 122.26 2wfc s VAL 161 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 2wfc s VAL 161 Cb 0.00 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 2wfc s VAL 161 CO 0.00 0.48 1.52 -0.69 0.00 0.00 0.00 175.10 176.41 2wfc s VAL 162 N 0.32 3.47 -0.08 2.92 1.01 0.79 -0.91 120.40 127.93 2wfc s VAL 162 Ca 0.01 0.84 0.07 0.00 0.00 0.00 0.00 61.98 62.90 2wfc s VAL 162 Cb -0.13 -3.54 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 2wfc s VAL 162 CO 0.01 -0.02 0.19 0.35 0.00 0.00 0.00 175.10 175.63 2wfc n THR 163 N 4.84 0.00 -3.82 3.92 -2.24 0.11 -0.03 114.28 117.05 2wfc n THR 163 Ca 0.15 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.60 2wfc n THR 163 Cb 0.42 0.47 -0.13 0.00 -2.10 0.00 0.00 70.33 68.99 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 -2.34 0.15 -0.10 -0.78 -0.14 -1.08 -4.87 119.74 110.58 2wfc s LYS 164 Ca -0.02 0.20 0.01 0.00 -1.36 0.00 0.00 55.97 54.80 2wfc s LYS 164 Cb 0.05 0.05 0.02 0.00 -1.68 0.00 0.00 37.83 36.27 2wfc s LYS 164 CO 0.30 -0.03 -0.11 0.08 -0.76 0.00 0.00 175.35 174.83 2wfc s VAL 165 N 0.16 1.18 -0.39 3.17 1.01 -1.26 -1.66 120.40 122.61 2wfc s VAL 165 Ca -0.01 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2wfc s VAL 165 Cb -0.02 -1.13 0.12 0.00 0.00 0.00 0.00 36.38 35.35 2wfc s VAL 165 CO -0.00 0.38 0.16 0.20 0.00 0.00 0.00 175.10 175.84 2wfc s ASN 166 N 1.24 4.16 -0.20 3.32 0.02 0.31 -5.01 114.94 118.78 2wfc s ASN 166 Ca -0.03 -2.32 -0.10 0.00 -1.02 0.00 0.00 52.86 49.40 2wfc s ASN 166 Cb -0.14 -1.25 -0.05 0.00 0.02 0.00 0.00 41.25 39.83 2wfc s ASN 166 CO -0.04 -0.33 0.12 0.54 0.02 0.00 0.00 177.10 177.42 2wfc s VAL 167 N 0.71 5.33 0.08 1.60 0.11 -1.26 -0.80 120.40 126.16 2wfc s VAL 167 Ca 0.14 0.16 -0.35 0.00 -2.93 0.00 0.00 61.98 59.00 2wfc s VAL 167 Cb -0.21 -3.43 -0.14 0.00 -1.53 0.00 0.00 36.38 31.06 2wfc s VAL 167 CO -0.09 0.44 1.58 -0.62 -3.33 0.00 0.00 175.10 173.08 2wfc n GLU 168 N 3.54 1.84 -0.10 1.54 -0.58 -0.82 -4.86 120.64 121.21 2wfc n GLU 168 Ca -0.16 0.67 0.18 0.00 -0.42 0.00 0.00 57.16 57.43 2wfc n GLU 168 Cb 0.52 -2.41 0.59 0.00 -0.57 0.00 0.00 31.44 29.57 2wfc n GLU 168 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2wfc h PRO 169 N 6.17 0.22 -0.39 3.49 0.11 -1.96 -1.05 132.00 138.58 2wfc h PRO 169 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wfc h PRO 169 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wfc h PRO 169 CO 0.87 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.41 2wfc n ASP 170 N -4.43 3.14 0.00 -2.05 5.75 -1.26 -4.97 116.55 112.72 2wfc n ASP 170 Ca 0.13 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 2wfc n ASP 170 Cb 0.58 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 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 1.01 2.95 0.00 6.12 0.00 -0.40 -4.72 105.19 110.15 2wfc n GLY 171 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 4.11 -0.44 1.61 2.85 -1.26 -0.58 118.16 122.46 2wfc n LYS 172 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 2wfc n LYS 172 Cb 0.00 -0.34 0.10 0.00 -0.65 0.00 0.00 35.03 34.14 2wfc n LYS 172 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wfc n GLY 173 N 0.00 -2.51 2.77 2.58 0.00 -1.26 -4.94 105.19 101.83 2wfc n GLY 173 Ca 0.00 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 2wfc n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wfc s LEU 174 N 0.00 3.75 0.00 0.99 1.43 -1.26 -4.93 118.68 118.66 2wfc s LEU 174 Ca 0.28 -3.44 0.00 0.00 -1.03 0.00 0.00 54.13 49.95 2wfc s LEU 174 Cb -0.03 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.90 2wfc s LEU 174 CO 0.22 -0.14 0.00 0.35 0.23 0.00 0.00 176.35 177.01 2wfc n THR 175 N 2.48 0.00 0.40 5.49 -2.24 -1.26 -4.95 114.28 114.21 2wfc n THR 175 Ca 0.19 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.08 2wfc n THR 175 Cb 0.37 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.07 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 -2.13 1.52 -4.86 0.00 3.41 -1.26 -4.69 113.62 105.61 2wfc n SER 177 Ca 0.02 -1.31 -0.31 0.00 -0.26 0.00 0.00 58.87 57.01 2wfc n SER 177 Cb 0.21 0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 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 -2.24 3.58 0.28 1.04 1.43 -0.96 -4.46 118.68 117.35 2wfc s LEU 178 Ca 0.30 1.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.78 2wfc s LEU 178 Cb 0.20 -4.31 0.68 0.00 0.03 0.00 0.00 46.19 42.79 2wfc s LEU 178 CO 0.43 -0.61 1.72 0.00 0.23 0.00 0.00 176.35 178.12 2wfc h ALA 179 N 0.62 1.40 0.00 4.21 0.00 -1.86 -2.05 119.26 121.58 2wfc h ALA 179 Ca -0.46 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2wfc h ALA 179 Cb 1.19 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2wfc h ALA 179 CO 0.62 -0.27 -0.13 -1.35 0.00 0.00 0.00 179.25 178.12 2wfc h PRO 180 N 0.47 0.00 -0.32 0.00 0.11 -1.93 -0.29 132.00 130.04 2wfc h PRO 180 Ca 0.54 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.50 2wfc h PRO 180 Cb 0.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2wfc h PRO 180 CO -0.48 0.13 -0.40 -0.97 -0.21 0.00 0.00 178.00 176.08 2wfc h ASN 181 N 0.00 0.82 -0.55 -2.05 -1.24 -1.67 -2.06 115.58 108.84 2wfc h ASN 181 Ca -0.00 -0.37 -0.05 0.00 0.71 0.00 0.00 56.30 56.58 2wfc h ASN 181 Cb 0.24 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 2wfc h ASN 181 CO 0.02 1.12 0.15 0.40 -1.29 0.00 0.00 177.43 177.83 2wfc h ILE 182 N 0.63 1.24 -0.60 2.57 1.08 -1.35 -1.63 117.51 119.45 2wfc h ILE 182 Ca 0.05 -0.84 0.04 0.00 -0.39 0.00 0.00 64.86 63.71 2wfc h ILE 182 Cb 0.96 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 2wfc h ILE 182 CO 0.09 0.31 0.35 -0.07 -0.69 0.00 0.00 178.15 178.14 2wfc h LEU 183 N 0.77 0.55 -1.07 1.44 3.38 -0.89 -0.23 115.31 119.26 2wfc h LEU 183 Ca 0.17 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 2wfc h LEU 183 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2wfc h LEU 183 CO -0.00 0.38 -0.41 0.77 0.09 0.00 0.00 178.44 179.26 2wfc h SER 184 N 0.68 0.11 0.74 -0.43 4.64 -1.00 -2.84 113.55 115.44 2wfc h SER 184 Ca 0.25 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.40 2wfc h SER 184 Cb 0.08 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2wfc h SER 184 CO -0.13 0.51 -0.61 1.56 -0.87 0.00 0.00 176.83 177.29 2wfc h GLN 185 N 0.09 0.00 0.00 4.77 4.20 -0.71 -3.26 115.11 120.20 2wfc h GLN 185 Ca 0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 2wfc h GLN 185 Cb 0.77 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 2wfc h GLN 185 CO 0.06 0.61 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.49 2wfc h LEU 186 N 0.00 0.00 0.00 1.46 3.38 -0.91 -3.51 115.31 115.73 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 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2wfc h LEU 186 CO 0.08 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.49