#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfs n SER 2 N 0.00 0.30 -4.69 1.61 2.88 -1.26 -5.05 113.62 107.41 1wfs n SER 2 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1wfs n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1wfs n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfs s SER 3 N -4.79 6.88 0.00 -3.46 0.15 -1.26 -4.75 113.70 106.47 1wfs s SER 3 Ca 0.00 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1wfs s SER 3 Cb 0.00 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1wfs s SER 3 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1wfs n GLY 4 N 3.37 0.80 4.02 9.45 0.00 -1.26 -5.08 105.19 116.49 1wfs n GLY 4 Ca -0.00 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 1wfs n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfs s SER 5 N -4.00 5.12 -0.01 1.61 1.04 -1.26 -5.14 113.70 111.06 1wfs s SER 5 Ca 0.00 -0.83 -0.30 0.00 0.48 0.00 0.00 55.95 55.30 1wfs s SER 5 Cb 0.00 0.17 0.12 0.00 0.10 0.00 0.00 66.02 66.41 1wfs s SER 5 CO 0.00 -1.23 1.29 -0.55 0.98 0.00 0.00 173.24 173.72 1wfs s SER 6 N -4.58 -0.05 0.00 7.02 0.15 -1.26 -4.89 113.70 110.09 1wfs s SER 6 Ca 0.58 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1wfs s SER 6 Cb -0.06 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1wfs s SER 6 CO 0.36 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1wfs n GLY 7 N -0.56 2.21 3.06 9.45 0.00 -1.26 -5.16 105.19 112.94 1wfs n GLY 7 Ca -0.07 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1wfs n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfs n SER 8 N 0.00 -3.03 -4.38 1.61 7.64 -1.26 -4.86 113.62 109.34 1wfs n SER 8 Ca 0.00 -0.40 -0.45 0.00 1.01 0.00 0.00 58.87 59.04 1wfs n SER 8 Cb 0.00 -0.81 -0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1wfs n SER 8 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wfs s ASP 9 N -2.05 7.25 -0.30 6.43 2.15 -1.26 -4.91 116.67 123.99 1wfs s ASP 9 Ca 0.41 -3.41 -0.17 0.00 0.43 0.00 0.00 52.55 49.81 1wfs s ASP 9 Cb -0.07 -2.27 0.19 0.00 -0.30 0.00 0.00 42.92 40.46 1wfs s ASP 9 CO 0.39 -0.44 1.18 -0.44 -0.17 0.00 0.00 175.17 175.69 1wfs s SER 10 N 1.82 -0.21 0.27 -0.34 0.01 -1.26 -5.19 113.70 108.80 1wfs s SER 10 Ca 0.35 0.32 0.05 0.00 1.31 0.00 0.00 55.95 57.98 1wfs s SER 10 Cb -0.08 1.13 -0.02 0.00 0.21 0.00 0.00 66.02 67.26 1wfs s SER 10 CO -0.05 -0.05 0.20 0.18 0.41 0.00 0.00 173.24 173.93 1wfs n LEU 11 N 3.64 0.00 -1.76 2.44 4.77 -1.26 -5.03 117.00 119.80 1wfs n LEU 11 Ca -0.15 -2.45 -0.14 0.00 -0.03 0.00 0.00 56.01 53.24 1wfs n LEU 11 Cb 0.56 1.20 0.06 0.00 -2.33 0.00 0.00 43.42 42.91 1wfs n LEU 11 CO 0.03 -0.40 1.08 0.52 -1.33 0.00 0.00 177.39 177.28 1wfs n VAL 12 N -0.53 2.47 -1.20 4.08 0.31 -1.26 -4.98 118.33 117.22 1wfs n VAL 12 Ca 0.04 -1.34 -0.44 0.00 -0.01 0.00 0.00 64.34 62.59 1wfs n VAL 12 Cb 0.47 -1.10 -0.05 0.00 -0.91 0.00 0.00 33.84 32.25 1wfs n VAL 12 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1wfs n VAL 13 N 0.11 0.78 -4.03 2.52 3.14 -1.26 -4.80 118.33 114.79 1wfs n VAL 13 Ca 0.29 -0.19 -0.06 0.00 -2.96 0.00 0.00 64.34 61.41 1wfs n VAL 13 Cb 0.77 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.54 1wfs n VAL 13 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wfs s GLU 15 N -2.38 1.79 -0.77 0.00 -1.05 -1.18 -4.92 118.70 110.18 1wfs s GLU 15 Ca 0.01 -0.90 -0.25 0.00 -0.15 0.00 0.00 54.97 53.68 1wfs s GLU 15 Cb -0.00 -1.80 -0.05 0.00 -0.44 0.00 0.00 34.13 31.83 1wfs s GLU 15 CO 0.01 0.48 2.03 0.54 0.95 0.00 0.00 175.26 179.27 1wfs s VAL 16 N -0.64 3.32 0.14 1.83 0.11 -1.26 -1.75 120.40 122.16 1wfs s VAL 16 Ca 0.09 -0.13 -0.19 0.00 -2.93 0.00 0.00 61.98 58.82 1wfs s VAL 16 Cb -0.09 -3.76 -0.12 0.00 -1.53 0.00 0.00 36.38 30.88 1wfs s VAL 16 CO 0.00 -0.73 0.36 -0.67 -3.33 0.00 0.00 175.10 170.73 1wfs n ASP 17 N 14.48 -0.88 0.17 3.54 -0.08 -1.07 -4.59 116.55 128.11 1wfs n ASP 17 Ca 0.35 0.78 0.01 0.00 -1.51 0.00 0.00 54.79 54.43 1wfs n ASP 17 Cb 0.48 -0.66 0.28 0.00 2.34 0.00 0.00 41.12 43.56 1wfs n ASP 17 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wfs h PRO 18 N 0.69 0.00 0.00 -0.67 0.13 -1.90 -0.57 132.00 129.68 1wfs h PRO 18 Ca -0.20 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.85 1wfs h PRO 18 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1wfs h PRO 18 CO 0.40 0.48 -0.42 1.05 -0.23 0.00 0.00 178.00 179.27 1wfs h GLU 19 N 0.00 0.00 0.03 0.86 -0.00 -1.95 -3.30 114.58 110.22 1wfs h GLU 19 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 59.36 59.10 1wfs h GLU 19 Cb 0.86 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.58 1wfs h GLU 19 CO 0.06 0.42 -1.39 1.25 -0.00 0.00 0.00 179.01 179.35 1wfs h LEU 20 N 0.00 0.09 -0.71 3.06 6.46 -1.83 -3.36 115.31 119.03 1wfs h LEU 20 Ca -0.00 -0.61 0.20 0.00 -0.12 0.00 0.00 57.88 57.34 1wfs h LEU 20 Cb 0.94 -0.03 -0.13 0.00 -0.73 0.00 0.00 40.66 40.70 1wfs h LEU 20 CO 0.05 1.56 0.03 1.17 -0.62 0.00 0.00 178.44 180.63 1wfs n LYS 21 N -4.24 -0.06 -0.08 1.25 4.81 -0.24 0.21 118.16 119.81 1wfs n LYS 21 Ca -0.32 1.06 -0.10 0.00 -0.87 0.00 0.00 58.31 58.08 1wfs n LYS 21 Cb 0.76 -1.69 -0.04 0.00 0.02 0.00 0.00 35.03 34.09 1wfs n LYS 21 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1wfs h GLU 22 N 0.00 0.40 -0.89 1.64 5.08 -1.74 -2.74 114.58 116.33 1wfs h GLU 22 Ca 0.43 -0.09 0.23 0.00 -1.00 0.00 0.00 59.36 58.93 1wfs h GLU 22 Cb 0.91 -0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.97 1wfs h GLU 22 CO -0.66 0.47 0.34 1.15 -1.00 0.00 0.00 179.01 179.32 1wfs h THR 23 N 0.25 0.42 0.23 1.13 2.02 0.23 0.87 112.91 118.05 1wfs h THR 23 Ca 0.08 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1wfs h THR 23 Cb 0.24 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1wfs h THR 23 CO -0.00 0.06 -0.11 -0.07 0.37 0.00 0.00 175.52 175.77 1wfs h LEU 24 N 0.33 -0.26 -1.94 2.58 3.38 -1.25 0.92 115.31 119.06 1wfs h LEU 24 Ca 0.56 -0.20 0.16 0.00 0.09 0.00 0.00 57.88 58.49 1wfs h LEU 24 Cb 1.09 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1wfs h LEU 24 CO -0.57 0.07 0.42 -0.09 0.09 0.00 0.00 178.44 178.36 1wfs h ARG 25 N -0.61 0.06 0.14 1.13 2.43 -0.91 -0.18 114.38 116.44 1wfs h ARG 25 Ca -0.03 -0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.83 1wfs h ARG 25 Cb 0.44 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1wfs h ARG 25 CO 0.05 0.04 -1.44 0.87 -1.51 0.00 0.00 179.97 177.98 1wfs h LYS 26 N 0.06 0.31 -0.59 0.20 1.57 -0.68 -3.25 116.57 114.19 1wfs h LYS 26 Ca 0.29 -0.52 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1wfs h LYS 26 Cb 1.06 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.53 1wfs h LYS 26 CO -0.02 1.21 0.39 0.35 -0.57 0.00 0.00 179.45 180.81 1wfs h PHE 27 N 0.08 0.68 -0.05 -1.35 3.57 0.10 1.01 116.94 120.99 1wfs h PHE 27 Ca -0.21 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.16 1wfs h PHE 27 Cb 2.03 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.52 1wfs h PHE 27 CO 0.07 0.41 -0.61 0.00 -2.23 0.00 0.00 178.31 175.96 1wfs h ARG 28 N 0.72 0.17 -1.05 1.11 3.08 -1.48 -3.29 114.38 113.65 1wfs h ARG 28 Ca 0.23 -0.12 -0.49 0.00 0.07 0.00 0.00 59.98 59.67 1wfs h ARG 28 Cb 0.03 0.02 -0.42 0.00 0.08 0.00 0.00 29.97 29.68 1wfs h ARG 28 CO -0.06 0.73 -0.90 1.19 -1.07 0.00 0.00 179.97 179.86 1wfs n PHE 29 N -3.85 2.50 -2.30 3.04 3.72 -0.55 -5.08 117.46 114.95 1wfs n PHE 29 Ca -0.02 -2.66 -0.26 0.00 -0.05 0.00 0.00 57.45 54.46 1wfs n PHE 29 Cb 0.62 -0.23 0.12 0.00 -0.94 0.00 0.00 39.48 39.05 1wfs n PHE 29 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1wfs s ARG 30 N -3.52 1.50 -0.41 -1.08 1.70 0.34 -4.90 118.95 112.58 1wfs s ARG 30 Ca 0.42 -0.69 0.05 0.00 -0.47 0.00 0.00 55.73 55.03 1wfs s ARG 30 Cb 0.40 -2.15 0.47 0.00 -0.57 0.00 0.00 34.95 33.10 1wfs s ARG 30 CO -0.06 -1.68 1.50 1.63 -1.08 0.00 0.00 175.30 175.62 1wfs n LYS 31 N -3.13 2.97 -0.13 3.89 4.76 -1.26 -4.61 118.16 120.66 1wfs n LYS 31 Ca 0.13 -3.70 -0.22 0.00 -2.87 0.00 0.00 58.31 51.65 1wfs n LYS 31 Cb 0.60 -2.19 -0.11 0.00 -1.84 0.00 0.00 35.03 31.49 1wfs n LYS 31 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wfs n GLU 32 N -0.86 0.61 -3.22 1.97 -0.58 -1.26 -4.98 120.64 112.32 1wfs n GLU 32 Ca 0.48 0.19 -0.20 0.00 -0.42 0.00 0.00 57.16 57.21 1wfs n GLU 32 Cb 0.90 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 30.27 1wfs n GLU 32 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1wfs n THR 33 N -3.63 -0.62 -3.81 2.62 -2.24 -1.26 -4.92 114.28 100.42 1wfs n THR 33 Ca -0.48 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 1wfs n THR 33 Cb 0.94 -1.29 -0.15 0.00 -2.10 0.00 0.00 70.33 67.72 1wfs n THR 33 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wfs s ASN 34 N -2.55 0.03 -0.42 3.42 4.22 -1.26 -5.09 114.94 113.29 1wfs s ASN 34 Ca 0.32 0.04 -0.39 0.00 -2.14 0.00 0.00 52.86 50.69 1wfs s ASN 34 Cb -0.18 -0.03 -0.17 0.00 1.28 0.00 0.00 41.25 42.16 1wfs s ASN 34 CO 0.40 -0.08 1.46 0.59 -2.04 0.00 0.00 177.10 177.42 1wfs n ASN 35 N 3.72 0.92 -4.01 3.54 4.13 -1.26 -4.33 115.26 117.97 1wfs n ASN 35 Ca -0.21 0.89 -0.09 0.00 1.68 0.00 0.00 54.58 56.85 1wfs n ASN 35 Cb 0.54 -0.74 -0.08 0.00 -1.54 0.00 0.00 39.78 37.96 1wfs n ASN 35 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wfs s ALA 36 N 3.14 0.25 0.05 5.41 0.00 -1.20 0.11 121.76 129.51 1wfs s ALA 36 Ca 0.91 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1wfs s ALA 36 Cb -1.26 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1wfs s ALA 36 CO 0.66 -0.55 -0.04 0.00 0.00 0.00 0.00 175.76 175.82 1wfs s ALA 37 N -3.97 0.49 -0.28 0.00 0.00 0.43 -0.31 121.76 118.12 1wfs s ALA 37 Ca 0.16 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1wfs s ALA 37 Cb 0.05 0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.44 1wfs s ALA 37 CO -0.02 -0.22 0.11 0.42 0.00 0.00 0.00 175.76 176.04 1wfs s ILE 38 N -2.71 0.30 -0.34 0.00 1.01 -0.84 -1.61 121.20 117.01 1wfs s ILE 38 Ca -0.02 -0.92 -0.23 0.00 0.00 0.00 0.00 60.65 59.48 1wfs s ILE 38 Cb -0.01 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.28 1wfs s ILE 38 CO -0.05 -0.64 0.79 -0.63 0.00 0.00 0.00 174.94 174.41 1wfs s ILE 39 N 1.92 4.75 -0.03 2.92 1.01 -0.55 -1.38 121.20 129.85 1wfs s ILE 39 Ca 0.08 1.01 0.02 0.00 0.00 0.00 0.00 60.65 61.75 1wfs s ILE 39 Cb -0.16 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 1wfs s ILE 39 CO -0.29 -0.36 -0.04 -0.04 0.00 0.00 0.00 174.94 174.21 1wfs s MET 40 N 3.05 2.71 0.52 2.79 -1.94 0.89 -0.46 119.30 126.87 1wfs s MET 40 Ca 0.32 -0.61 0.04 0.00 -1.71 0.00 0.00 55.69 53.73 1wfs s MET 40 Cb -0.14 -2.60 0.01 0.00 2.01 0.00 0.00 34.83 34.12 1wfs s MET 40 CO 0.15 0.64 0.25 -1.59 -0.01 0.00 0.00 175.02 174.46 1wfs s LYS 41 N -1.23 2.23 -0.29 2.03 -2.85 0.12 -1.59 119.74 118.17 1wfs s LYS 41 Ca 0.16 -2.13 -0.01 0.00 -1.00 0.00 0.00 55.97 52.99 1wfs s LYS 41 Cb -0.11 -1.90 0.09 0.00 -2.06 0.00 0.00 37.83 33.85 1wfs s LYS 41 CO 0.06 -0.49 0.07 0.54 0.10 0.00 0.00 175.35 175.64 1wfs s VAL 42 N -2.79 0.93 -0.15 1.79 0.11 -1.26 0.72 120.40 119.74 1wfs s VAL 42 Ca 0.25 -1.30 -0.29 0.00 -2.93 0.00 0.00 61.98 57.71 1wfs s VAL 42 Cb -0.00 -1.63 -0.05 0.00 -1.53 0.00 0.00 36.38 33.17 1wfs s VAL 42 CO 0.15 -0.56 1.95 -1.81 -3.33 0.00 0.00 175.10 171.50 1wfs s ASP 43 N 1.61 6.03 0.45 3.54 1.01 -1.01 -4.84 116.67 123.46 1wfs s ASP 43 Ca 0.07 2.01 0.31 0.00 0.71 0.00 0.00 52.55 55.65 1wfs s ASP 43 Cb -0.17 -2.52 1.46 0.00 1.01 0.00 0.00 42.92 42.69 1wfs s ASP 43 CO -0.21 -1.48 1.93 0.50 0.21 0.00 0.00 175.17 176.12 1wfs h LYS 44 N 12.40 0.00 0.11 8.23 3.11 -1.97 1.11 116.57 139.57 1wfs h LYS 44 Ca -0.41 0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.15 1wfs h LYS 44 Cb 1.21 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.44 1wfs h LYS 44 CO 0.97 0.00 -1.37 -0.44 -2.81 0.00 0.00 179.45 175.80 1wfs h ASP 45 N 0.00 0.37 -0.01 4.20 3.32 -1.98 -3.33 116.42 118.99 1wfs h ASP 45 Ca 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1wfs h ASP 45 Cb 0.25 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1wfs h ASP 45 CO 0.00 1.36 -0.25 0.54 -1.72 0.00 0.00 179.24 179.18 1wfs n ARG 46 N -3.47 1.59 -4.11 3.56 1.74 -0.87 -4.99 116.66 110.10 1wfs n ARG 46 Ca -0.12 -1.02 -0.30 0.00 -0.77 0.00 0.00 57.85 55.65 1wfs n ARG 46 Cb 1.03 -1.30 -0.05 0.00 -1.02 0.00 0.00 32.46 31.12 1wfs n ARG 46 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wfs n GLN 47 N 0.18 -1.96 -3.76 5.56 1.13 0.38 -4.94 117.38 113.98 1wfs n GLN 47 Ca 0.08 0.25 -0.13 0.00 -1.94 0.00 0.00 57.00 55.26 1wfs n GLN 47 Cb 0.37 -3.96 -0.11 0.00 0.11 0.00 0.00 30.24 26.65 1wfs n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wfs s MET 48 N -6.95 0.35 -0.52 -1.09 0.23 -1.18 -3.12 119.30 107.01 1wfs s MET 48 Ca 0.05 0.47 -0.28 0.00 -1.03 0.00 0.00 55.69 54.90 1wfs s MET 48 Cb -0.03 0.14 0.01 0.00 -1.53 0.00 0.00 34.83 33.42 1wfs s MET 48 CO 0.94 -0.06 1.49 0.08 -2.03 0.00 0.00 175.02 175.44 1wfs s VAL 49 N 0.33 3.73 0.02 5.16 1.01 -0.72 -2.40 120.40 127.54 1wfs s VAL 49 Ca -0.01 0.65 0.06 0.00 0.00 0.00 0.00 61.98 62.68 1wfs s VAL 49 Cb -0.03 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1wfs s VAL 49 CO -0.01 -1.01 -0.17 0.68 0.00 0.00 0.00 175.10 174.58 1wfs s VAL 50 N 6.34 2.82 0.75 2.92 -7.23 0.22 -2.59 120.40 123.64 1wfs s VAL 50 Ca 0.58 -1.07 -0.16 0.00 -1.81 0.00 0.00 61.98 59.52 1wfs s VAL 50 Cb -0.12 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.60 1wfs s VAL 50 CO 0.27 0.41 0.25 -0.11 -0.31 0.00 0.00 175.10 175.61 1wfs n LEU 51 N 1.77 -0.79 0.00 1.32 7.94 -1.26 0.12 117.00 126.10 1wfs n LEU 51 Ca -0.16 0.52 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 1wfs n LEU 51 Cb 0.52 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1wfs n LEU 51 CO 0.26 -3.78 -0.27 1.21 -1.11 0.00 0.00 177.39 173.70 1wfs n GLU 52 N -0.12 0.64 -3.53 1.96 2.13 0.40 -4.40 120.64 117.73 1wfs n GLU 52 Ca 0.08 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.80 1wfs n GLU 52 Cb 0.51 -0.77 -0.02 0.00 0.27 0.00 0.00 31.44 31.43 1wfs n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wfs s ASP 53 N -3.11 -0.44 -0.26 4.31 1.01 0.18 -5.01 116.67 113.35 1wfs s ASP 53 Ca 0.00 -0.11 -0.02 0.00 0.71 0.00 0.00 52.55 53.13 1wfs s ASP 53 Cb 0.00 0.55 0.13 0.00 1.01 0.00 0.00 42.92 44.61 1wfs s ASP 53 CO 0.00 -0.92 0.35 -1.61 0.21 0.00 0.00 175.17 173.20 1wfs s GLU 54 N -3.56 0.34 -0.10 8.23 2.02 -1.26 -1.48 118.70 122.89 1wfs s GLU 54 Ca 0.04 0.29 -0.04 0.00 0.02 0.00 0.00 54.97 55.29 1wfs s GLU 54 Cb -0.02 -0.57 -0.04 0.00 0.10 0.00 0.00 34.13 33.61 1wfs s GLU 54 CO -0.08 -0.79 0.05 -0.51 0.02 0.00 0.00 175.26 173.94 1wfs s LEU 55 N 2.49 3.84 0.18 1.80 1.43 -0.63 -4.99 118.68 122.80 1wfs s LEU 55 Ca 0.11 0.25 0.11 0.00 -1.03 0.00 0.00 54.13 53.56 1wfs s LEU 55 Cb -0.15 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1wfs s LEU 55 CO -0.21 0.38 -0.21 -1.10 0.23 0.00 0.00 176.35 175.44 1wfs s GLN 56 N -0.90 1.63 -1.21 1.70 1.11 -1.26 -0.43 119.66 120.29 1wfs s GLN 56 Ca 0.14 -1.44 -0.07 0.00 0.01 0.00 0.00 55.36 54.00 1wfs s GLN 56 Cb -0.12 -1.93 -0.02 0.00 -1.01 0.00 0.00 33.01 29.94 1wfs s GLN 56 CO 0.03 0.42 0.76 0.09 0.01 0.00 0.00 175.29 176.60 1wfs n ASN 57 N 0.32 -3.25 -4.10 5.90 3.02 0.30 -4.93 115.26 112.52 1wfs n ASN 57 Ca -0.13 -0.85 -0.22 0.00 -0.03 0.00 0.00 54.58 53.34 1wfs n ASN 57 Cb 0.55 -4.09 -0.15 0.00 -0.61 0.00 0.00 39.78 35.48 1wfs n ASN 57 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1wfs s ILE 58 N -3.56 1.11 0.76 2.41 -1.16 -0.40 -5.00 121.20 115.35 1wfs s ILE 58 Ca 0.21 -0.59 -0.10 0.00 -0.51 0.00 0.00 60.65 59.66 1wfs s ILE 58 Cb -0.06 -0.93 0.06 0.00 0.61 0.00 0.00 42.46 42.15 1wfs s ILE 58 CO 0.81 0.32 1.11 -0.44 -2.81 0.00 0.00 174.94 173.93 1wfs s SER 59 N -0.26 4.75 0.00 4.50 0.01 -1.26 -4.44 113.70 116.99 1wfs s SER 59 Ca 0.04 0.72 0.13 0.00 1.31 0.00 0.00 55.95 58.16 1wfs s SER 59 Cb -0.06 -1.32 0.79 0.00 0.21 0.00 0.00 66.02 65.64 1wfs s SER 59 CO -0.00 -1.72 1.22 -0.81 0.41 0.00 0.00 173.24 172.34 1wfs n PRO 60 N -3.14 0.49 -0.07 12.44 -0.04 -1.26 -2.19 135.00 141.23 1wfs n PRO 60 Ca 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1wfs n PRO 60 Cb 0.60 -1.43 -0.16 0.00 -0.04 0.00 0.00 33.50 32.48 1wfs n PRO 60 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wfs n GLU 61 N -0.93 0.73 0.08 0.54 1.02 -1.26 -4.28 120.64 116.55 1wfs n GLU 61 Ca 0.10 -0.07 -0.23 0.00 -0.02 0.00 0.00 57.16 56.95 1wfs n GLU 61 Cb 0.05 -1.51 -0.15 0.00 -0.02 0.00 0.00 31.44 29.81 1wfs n GLU 61 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wfs h GLU 62 N 0.00 0.40 -0.35 3.49 4.39 -1.81 -3.33 114.58 117.37 1wfs h GLU 62 Ca -0.37 -0.68 0.07 0.00 0.34 0.00 0.00 59.36 58.72 1wfs h GLU 62 Cb 1.84 0.25 -0.07 0.00 -0.10 0.00 0.00 28.75 30.68 1wfs h GLU 62 CO 0.02 1.32 -0.11 1.25 -1.16 0.00 0.00 179.01 180.34 1wfs h LEU 63 N -0.04 -0.38 -1.50 1.33 6.46 -1.75 0.14 115.31 119.57 1wfs h LEU 63 Ca -0.28 0.11 0.16 0.00 -0.12 0.00 0.00 57.88 57.75 1wfs h LEU 63 Cb 1.98 0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 42.09 1wfs h LEU 63 CO 0.18 -0.14 0.54 0.50 -0.62 0.00 0.00 178.44 178.90 1wfs h LYS 64 N -0.03 0.46 -0.17 1.25 3.64 -1.74 0.83 116.57 120.82 1wfs h LYS 64 Ca 0.17 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 1wfs h LYS 64 Cb 0.29 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1wfs h LYS 64 CO -0.37 0.31 -0.52 -0.07 -2.27 0.00 0.00 179.45 176.53 1wfs h LEU 65 N 0.48 0.51 -1.01 5.20 4.07 -1.11 -3.01 115.31 120.43 1wfs h LEU 65 Ca 0.41 -0.26 -0.10 0.00 0.08 0.00 0.00 57.88 58.01 1wfs h LEU 65 Cb 0.88 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 1wfs h LEU 65 CO -0.15 0.93 -0.35 -0.33 -1.08 0.00 0.00 178.44 177.46 1wfs h GLU 66 N 0.36 0.26 -7.14 1.13 4.39 0.10 -3.44 114.58 110.25 1wfs h GLU 66 Ca 0.01 -0.11 -0.51 0.00 0.34 0.00 0.00 59.36 59.09 1wfs h GLU 66 Cb 1.03 -0.01 0.09 0.00 -0.10 0.00 0.00 28.75 29.76 1wfs h GLU 66 CO 0.09 0.59 0.41 -0.51 -1.16 0.00 0.00 179.01 178.43 1wfs s LEU 67 N -8.37 3.58 0.00 1.33 1.43 -0.73 -5.05 118.68 110.87 1wfs s LEU 67 Ca -0.05 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1wfs s LEU 67 Cb 0.14 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.79 1wfs s LEU 67 CO 0.77 -1.45 0.00 -0.81 0.23 0.00 0.00 176.35 175.08 1wfs n PRO 68 N -1.84 0.09 -0.01 1.29 -0.04 -1.26 -4.99 135.00 128.24 1wfs n PRO 68 Ca 0.11 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.58 1wfs n PRO 68 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 1wfs n PRO 68 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wfs n GLU 69 N -0.68 1.06 -2.68 0.54 -0.00 -1.26 -4.81 120.64 112.80 1wfs n GLU 69 Ca 0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 57.16 57.05 1wfs n GLU 69 Cb 0.00 -1.10 0.08 0.00 -0.00 0.00 0.00 31.44 30.42 1wfs n GLU 69 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1wfs n ARG 70 N -1.79 1.17 -3.57 3.44 -4.01 -1.26 -4.54 116.66 106.11 1wfs n ARG 70 Ca -0.02 -2.47 -0.23 0.00 -1.04 0.00 0.00 57.85 54.09 1wfs n ARG 70 Cb 0.26 -0.59 -0.15 0.00 -3.04 0.00 0.00 32.46 28.93 1wfs n ARG 70 CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 1wfs s GLN 71 N -1.30 0.11 0.21 2.89 -0.21 -1.26 -4.22 119.66 115.88 1wfs s GLN 71 Ca 0.24 0.04 -0.30 0.00 0.02 0.00 0.00 55.36 55.36 1wfs s GLN 71 Cb 0.43 -1.57 -0.09 0.00 1.00 0.00 0.00 33.01 32.78 1wfs s GLN 71 CO -0.03 -0.66 1.29 -1.25 -2.12 0.00 0.00 175.29 172.52 1wfs s PRO 72 N 2.21 4.40 0.31 2.91 0.04 -1.26 -4.74 135.00 138.88 1wfs s PRO 72 Ca 0.04 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 1wfs s PRO 72 Cb -0.16 -3.18 0.06 0.00 0.04 0.00 0.00 34.50 31.25 1wfs s PRO 72 CO -0.10 -0.22 0.85 -0.98 0.04 0.00 0.00 177.00 176.59 1wfs s ARG 73 N -0.33 1.89 0.10 4.56 1.70 -0.73 -4.94 118.95 121.19 1wfs s ARG 73 Ca 0.55 -1.18 0.05 0.00 -0.47 0.00 0.00 55.73 54.68 1wfs s ARG 73 Cb -0.36 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.52 1wfs s ARG 73 CO 0.40 -0.88 -0.01 -0.06 -1.08 0.00 0.00 175.30 173.67 1wfs s PHE 74 N -2.57 2.95 -0.18 5.89 0.08 -0.62 -2.35 117.98 121.18 1wfs s PHE 74 Ca 0.16 -0.05 -0.15 0.00 0.12 0.00 0.00 56.93 57.01 1wfs s PHE 74 Cb -0.04 -1.50 0.05 0.00 -0.57 0.00 0.00 43.02 40.95 1wfs s PHE 74 CO 0.09 0.48 0.46 0.08 -0.10 0.00 0.00 175.22 176.22 1wfs s VAL 75 N -1.36 -0.01 -0.44 -0.44 1.01 -0.56 -0.08 120.40 118.52 1wfs s VAL 75 Ca 0.26 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1wfs s VAL 75 Cb -0.11 -0.65 0.12 0.00 0.00 0.00 0.00 36.38 35.74 1wfs s VAL 75 CO 0.18 0.01 0.19 -0.69 0.00 0.00 0.00 175.10 174.78 1wfs s VAL 76 N 0.54 2.76 -0.08 2.92 1.01 -0.48 0.02 120.40 127.08 1wfs s VAL 76 Ca -0.02 -2.61 -0.17 0.00 0.00 0.00 0.00 61.98 59.18 1wfs s VAL 76 Cb -0.04 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1wfs s VAL 76 CO -0.03 -0.71 0.45 -0.47 0.00 0.00 0.00 175.10 174.34 1wfs s TYR 77 N 0.53 3.57 -0.47 5.22 5.04 -1.10 -1.99 117.35 128.15 1wfs s TYR 77 Ca 0.13 0.90 -0.03 0.00 -2.44 0.00 0.00 57.07 55.64 1wfs s TYR 77 Cb -0.22 -2.46 0.12 0.00 0.35 0.00 0.00 41.96 39.75 1wfs s TYR 77 CO -0.05 0.31 0.26 0.45 -1.34 0.00 0.00 175.55 175.19 1wfs s SER 78 N 0.11 5.22 0.57 4.32 0.15 0.57 -2.12 113.70 122.51 1wfs s SER 78 Ca 0.25 -2.28 -0.08 0.00 0.70 0.00 0.00 55.95 54.54 1wfs s SER 78 Cb -0.15 -1.83 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 1wfs s SER 78 CO 0.11 -0.49 0.92 -0.47 1.20 0.00 0.00 173.24 174.51 1wfs s TYR 79 N 0.78 3.54 -0.31 3.44 5.04 -1.25 -3.26 117.35 125.33 1wfs s TYR 79 Ca 0.11 1.01 -0.05 0.00 -2.44 0.00 0.00 57.07 55.70 1wfs s TYR 79 Cb -0.22 -2.57 0.04 0.00 0.35 0.00 0.00 41.96 39.55 1wfs s TYR 79 CO -0.04 -0.57 0.06 0.21 -1.34 0.00 0.00 175.55 173.87 1wfs s LYS 80 N -4.99 2.67 -0.17 4.97 2.20 -1.26 -2.34 119.74 120.81 1wfs s LYS 80 Ca 0.52 -1.13 -0.06 0.00 -0.36 0.00 0.00 55.97 54.94 1wfs s LYS 80 Cb -0.11 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1wfs s LYS 80 CO 0.49 -0.59 0.04 -0.47 -0.36 0.00 0.00 175.35 174.46 1wfs s TYR 81 N 1.37 3.21 0.20 4.03 6.14 0.21 -4.96 117.35 127.56 1wfs s TYR 81 Ca -0.02 0.02 0.01 0.00 0.64 0.00 0.00 57.07 57.72 1wfs s TYR 81 Cb -0.19 -2.04 -0.04 0.00 0.42 0.00 0.00 41.96 40.11 1wfs s TYR 81 CO 0.01 0.15 0.37 0.08 0.64 0.00 0.00 175.55 176.80 1wfs s VAL 82 N 0.27 5.24 0.00 3.14 1.01 -1.26 0.09 120.40 128.89 1wfs s VAL 82 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1wfs s VAL 82 Cb -0.13 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1wfs s VAL 82 CO 0.01 -0.19 0.00 1.41 0.00 0.00 0.00 175.10 176.33 1wfs n HIS 83 N -0.76 0.00 0.00 5.22 -0.00 0.16 -4.92 115.22 114.91 1wfs n HIS 83 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 1wfs n HIS 83 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.53 1wfs n HIS 83 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1wfs n ASP 84 N -0.43 0.00 0.06 0.41 8.00 -1.26 -4.95 116.55 118.38 1wfs n ASP 84 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1wfs n ASP 84 Cb 0.00 0.00 0.48 0.00 -0.02 0.00 0.00 41.12 41.58 1wfs n ASP 84 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1wfs n ASP 85 N 0.00 0.44 0.00 -2.24 8.00 -1.26 -4.83 116.55 116.67 1wfs n ASP 85 Ca 0.00 0.56 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1wfs n ASP 85 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 1wfs n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfs n GLY 86 N 1.07 0.89 3.38 0.44 0.00 -1.26 -5.14 105.19 104.57 1wfs n GLY 86 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1wfs n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfs s ARG 87 N 0.00 2.79 -0.07 1.61 1.81 -1.26 -5.02 118.95 118.81 1wfs s ARG 87 Ca 0.00 -0.76 0.00 0.00 -1.72 0.00 0.00 55.73 53.25 1wfs s ARG 87 Cb 0.00 -2.39 0.02 0.00 -0.45 0.00 0.00 34.95 32.14 1wfs s ARG 87 CO 0.00 0.42 -0.04 0.54 -0.68 0.00 0.00 175.30 175.54 1wfs s VAL 88 N -0.21 0.62 0.14 3.52 0.11 -1.26 0.35 120.40 123.67 1wfs s VAL 88 Ca -0.00 -0.10 0.10 0.00 -2.93 0.00 0.00 61.98 59.05 1wfs s VAL 88 Cb -0.13 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1wfs s VAL 88 CO 0.03 0.27 -0.22 -0.44 -3.33 0.00 0.00 175.10 171.42 1wfs s SER 89 N 1.40 3.60 -0.64 3.54 0.01 0.11 -4.95 113.70 116.78 1wfs s SER 89 Ca -0.03 -0.70 -0.11 0.00 1.31 0.00 0.00 55.95 56.42 1wfs s SER 89 Cb -0.13 -0.37 0.17 0.00 0.21 0.00 0.00 66.02 65.89 1wfs s SER 89 CO -0.03 0.16 0.54 -0.31 0.41 0.00 0.00 173.24 174.01 1wfs s TYR 90 N -1.28 3.51 -0.63 2.43 2.02 -1.26 0.68 117.35 122.83 1wfs s TYR 90 Ca 0.18 -1.96 -0.26 0.00 -0.37 0.00 0.00 57.07 54.65 1wfs s TYR 90 Cb -0.10 -3.62 -0.02 0.00 -0.40 0.00 0.00 41.96 37.83 1wfs s TYR 90 CO 0.09 -0.97 1.87 -1.25 -1.57 0.00 0.00 175.55 173.72 1wfs s PRO 91 N 0.71 2.62 0.20 -1.71 0.04 -0.99 -4.80 135.00 131.07 1wfs s PRO 91 Ca 0.12 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.42 1wfs s PRO 91 Cb -0.20 -4.42 -0.08 0.00 0.04 0.00 0.00 34.50 29.83 1wfs s PRO 91 CO -0.03 -2.77 1.22 -0.51 0.04 0.00 0.00 177.00 174.95 1wfs s LEU 92 N 9.14 4.45 0.15 -3.56 1.02 -1.26 -3.78 118.68 124.84 1wfs s LEU 92 Ca 0.67 2.30 0.02 0.00 0.02 0.00 0.00 54.13 57.14 1wfs s LEU 92 Cb -0.12 -3.61 -0.05 0.00 0.02 0.00 0.00 46.19 42.43 1wfs s LEU 92 CO 0.20 -0.39 -0.02 0.00 0.02 0.00 0.00 176.35 176.15 1wfs s PHE 94 N -3.61 3.31 -0.27 0.00 5.36 -0.02 -2.69 117.98 120.06 1wfs s PHE 94 Ca 0.20 -1.54 -0.17 0.00 -0.96 0.00 0.00 56.93 54.47 1wfs s PHE 94 Cb 0.05 -2.60 -0.03 0.00 -0.34 0.00 0.00 43.02 40.10 1wfs s PHE 94 CO 0.02 -0.79 0.47 0.42 -1.46 0.00 0.00 175.22 173.87 1wfs s ILE 95 N 1.39 5.10 -0.47 3.12 1.01 0.10 -1.06 121.20 130.39 1wfs s ILE 95 Ca 0.01 0.73 -0.16 0.00 0.00 0.00 0.00 60.65 61.23 1wfs s ILE 95 Cb -0.21 -3.80 0.07 0.00 0.01 0.00 0.00 42.46 38.53 1wfs s ILE 95 CO 0.02 0.08 0.40 0.12 0.00 0.00 0.00 174.94 175.56 1wfs s PHE 96 N 2.24 3.23 -0.75 3.97 5.36 -1.10 -1.50 117.98 129.43 1wfs s PHE 96 Ca 0.19 -0.89 -0.27 0.00 -0.96 0.00 0.00 56.93 55.01 1wfs s PHE 96 Cb -0.16 -3.16 0.03 0.00 -0.34 0.00 0.00 43.02 39.39 1wfs s PHE 96 CO 0.10 -0.80 1.37 0.45 -1.46 0.00 0.00 175.22 174.88 1wfs s SER 97 N 2.56 6.08 -0.38 6.13 0.15 -0.99 -2.63 113.70 124.62 1wfs s SER 97 Ca 0.05 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.25 1wfs s SER 97 Cb -0.24 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.64 1wfs s SER 97 CO 0.07 -1.88 0.18 -0.55 1.20 0.00 0.00 173.24 172.26 1wfs s SER 98 N 4.39 3.70 0.93 5.45 0.15 -1.14 -1.77 113.70 125.42 1wfs s SER 98 Ca 0.40 -2.17 0.00 0.00 0.70 0.00 0.00 55.95 54.88 1wfs s SER 98 Cb -0.08 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 1wfs s SER 98 CO 0.13 -0.33 0.00 -0.81 1.20 0.00 0.00 173.24 173.43 1wfs n PRO 99 N 4.14 -0.89 -0.06 5.44 -0.04 -1.24 -4.20 135.00 138.14 1wfs n PRO 99 Ca 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 1wfs n PRO 99 Cb 0.38 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.70 1wfs n PRO 99 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wfs n VAL 100 N -2.38 0.77 1.22 0.52 3.14 -1.25 -4.34 118.33 116.01 1wfs n VAL 100 Ca 0.00 -0.61 0.13 0.00 -2.96 0.00 0.00 64.34 60.90 1wfs n VAL 100 Cb 0.00 -0.35 0.67 0.00 -1.06 0.00 0.00 33.84 33.10 1wfs n VAL 100 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wfs n GLY 101 N 1.81 -1.23 3.53 7.55 0.00 -1.26 -4.86 105.19 110.73 1wfs n GLY 101 Ca -0.19 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1wfs n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfs s LYS 103 N -4.53 2.99 0.43 0.00 1.02 -1.26 -5.01 119.74 113.38 1wfs s LYS 103 Ca 0.68 -0.77 0.30 0.00 0.02 0.00 0.00 55.97 56.20 1wfs s LYS 103 Cb -0.24 -2.73 1.23 0.00 -0.52 0.00 0.00 37.83 35.57 1wfs s LYS 103 CO 0.63 0.52 1.88 -1.00 -0.92 0.00 0.00 175.35 176.45 1wfs h PRO 104 N 2.64 0.00 -0.02 -1.68 0.13 -1.98 -1.03 132.00 130.06 1wfs h PRO 104 Ca -0.47 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.41 1wfs h PRO 104 Cb 1.19 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 1wfs h PRO 104 CO 0.65 0.00 -0.98 0.93 -0.23 0.00 0.00 178.00 178.37 1wfs h GLU 105 N 0.00 0.65 0.00 0.86 5.08 -2.00 -3.01 114.58 116.16 1wfs h GLU 105 Ca 0.00 -0.67 -0.15 0.00 -1.00 0.00 0.00 59.36 57.54 1wfs h GLU 105 Cb 0.43 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1wfs h GLU 105 CO 0.00 1.26 -0.82 1.96 -1.00 0.00 0.00 179.01 180.42 1wfs h GLN 106 N 0.38 0.00 -1.01 2.33 1.08 -1.94 -3.34 115.11 112.61 1wfs h GLN 106 Ca -0.11 0.00 0.26 0.00 -1.45 0.00 0.00 58.65 57.35 1wfs h GLN 106 Cb 1.62 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.98 1wfs h GLN 106 CO 0.19 0.98 0.67 0.37 -0.95 0.00 0.00 178.83 180.09 1wfs h GLN 107 N -1.00 0.30 0.00 1.46 -0.00 -1.35 0.67 115.11 115.19 1wfs h GLN 107 Ca -0.22 -0.02 -0.07 0.00 -0.00 0.00 0.00 58.65 58.34 1wfs h GLN 107 Cb 1.18 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.58 1wfs h GLN 107 CO -0.14 0.20 -0.34 0.52 0.00 0.00 0.00 178.83 179.07 1wfs h MET 108 N 0.30 0.00 -0.50 1.69 2.86 -1.67 0.27 114.93 117.88 1wfs h MET 108 Ca 0.54 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 58.10 1wfs h MET 108 Cb 1.54 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.17 1wfs h MET 108 CO -0.19 0.34 0.01 0.52 1.06 0.00 0.00 176.91 178.64 1wfs h MET 109 N 0.00 0.83 0.11 1.72 2.86 0.25 -2.14 114.93 118.57 1wfs h MET 109 Ca -0.00 -0.23 -0.34 0.00 -2.06 0.00 0.00 59.70 57.07 1wfs h MET 109 Cb 0.63 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1wfs h MET 109 CO 0.04 0.83 -1.84 1.88 1.06 0.00 0.00 176.91 178.89 1wfs h TYR 110 N 0.78 0.44 -0.05 -0.22 -1.99 -1.39 -2.93 116.97 111.61 1wfs h TYR 110 Ca 0.15 -0.32 0.01 0.00 2.00 0.00 0.00 58.73 60.57 1wfs h TYR 110 Cb 0.46 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.17 1wfs h TYR 110 CO 0.03 1.72 0.10 0.00 -0.00 0.00 0.00 178.16 180.01 1wfs h ALA 111 N -0.01 1.39 0.00 3.88 0.00 -0.50 1.87 119.26 125.89 1wfs h ALA 111 Ca -0.40 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 1wfs h ALA 111 Cb 1.92 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 1wfs h ALA 111 CO 0.05 -0.13 -2.15 0.41 0.00 0.00 0.00 179.25 177.44 1wfs n GLY 112 N -1.24 -0.98 0.71 0.00 0.00 -0.81 -4.35 105.19 98.53 1wfs n GLY 112 Ca -0.02 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.65 1wfs n GLY 112 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfs n SER 113 N -2.46 2.65 0.12 1.61 7.64 -0.60 -4.61 113.62 117.98 1wfs n SER 113 Ca -0.16 -1.77 -0.05 0.00 1.01 0.00 0.00 58.87 57.89 1wfs n SER 113 Cb 0.82 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.87 1wfs n SER 113 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfs h LYS 114 N 2.92 -0.32 -0.98 1.43 3.64 0.27 -0.87 116.57 122.66 1wfs h LYS 114 Ca 0.00 0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.68 1wfs h LYS 114 Cb 0.71 0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.46 1wfs h LYS 114 CO 0.00 -0.21 0.54 -0.91 -2.27 0.00 0.00 179.45 176.60 1wfs h ASN 115 N -0.33 0.52 0.05 4.20 2.35 -1.83 0.13 115.58 120.67 1wfs h ASN 115 Ca -0.03 0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1wfs h ASN 115 Cb 0.26 0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1wfs h ASN 115 CO 0.04 -0.03 -0.03 -0.09 -1.65 0.00 0.00 177.43 175.66 1wfs h ARG 116 N 0.42 -0.08 0.40 0.81 9.65 -1.79 0.33 114.38 124.12 1wfs h ARG 116 Ca 0.67 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.54 1wfs h ARG 116 Cb 1.41 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.01 1wfs h ARG 116 CO -0.55 -0.05 -0.19 1.25 2.80 0.00 0.00 179.97 183.22 1wfs h LEU 117 N -0.08 -0.46 0.04 3.80 7.12 0.62 -2.27 115.31 124.08 1wfs h LEU 117 Ca -0.00 -0.07 0.02 0.00 0.13 0.00 0.00 57.88 57.96 1wfs h LEU 117 Cb 0.07 0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.28 1wfs h LEU 117 CO 0.00 -0.21 -0.22 0.58 -0.13 0.00 0.00 178.44 178.47 1wfs h VAL 118 N -0.70 0.50 -0.99 1.05 2.07 -0.91 -1.52 116.25 115.74 1wfs h VAL 118 Ca -0.06 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.70 1wfs h VAL 118 Cb 0.50 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.68 1wfs h VAL 118 CO 0.09 0.00 0.64 1.56 0.02 0.00 0.00 177.57 179.88 1wfs h GLN 119 N -0.37 0.47 -0.44 1.57 1.08 -0.36 0.11 115.11 117.17 1wfs h GLN 119 Ca 0.05 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1wfs h GLN 119 Cb 0.42 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1wfs h GLN 119 CO -0.17 0.31 0.10 1.15 -0.95 0.00 0.00 178.83 179.27 1wfs h THR 120 N 0.49 1.24 0.00 -0.54 2.02 -0.67 -2.52 112.91 112.92 1wfs h THR 120 Ca 0.56 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1wfs h THR 120 Cb 1.27 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1wfs h THR 120 CO -0.29 0.30 0.00 0.00 0.37 0.00 0.00 175.52 175.90 1wfs h ALA 121 N 0.96 1.00 -3.65 6.16 0.00 -0.37 -3.46 119.26 119.90 1wfs h ALA 121 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1wfs h ALA 121 Cb 0.34 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.21 1wfs h ALA 121 CO 0.00 0.00 -0.37 -1.91 0.00 0.00 0.00 179.25 176.97 1wfs n GLU 122 N -2.86 -3.84 -3.36 0.00 4.07 0.00 -4.79 120.64 109.87 1wfs n GLU 122 Ca 0.02 0.43 -0.46 0.00 -0.06 0.00 0.00 57.16 57.09 1wfs n GLU 122 Cb 0.36 -4.24 -0.02 0.00 -0.06 0.00 0.00 31.44 27.47 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1wfs s LEU 123 N -4.25 6.66 0.62 4.31 1.43 -1.20 -4.88 118.68 121.36 1wfs s LEU 123 Ca 0.18 -2.75 0.32 0.00 -1.03 0.00 0.00 54.13 50.86 1wfs s LEU 123 Cb -0.08 -2.19 1.81 0.00 0.03 0.00 0.00 46.19 45.76 1wfs s LEU 123 CO 0.38 -0.55 2.13 0.00 0.23 0.00 0.00 176.35 178.54 1wfs h THR 124 N 4.76 0.30 -3.40 5.49 1.03 -1.91 -3.33 112.91 115.86 1wfs h THR 124 Ca 0.11 0.00 -0.74 0.00 -0.01 0.00 0.00 66.41 65.76 1wfs h THR 124 Cb 1.03 0.85 -0.28 0.00 -1.07 0.00 0.00 68.15 68.67 1wfs h THR 124 CO 0.76 0.00 -0.25 -0.54 -0.01 0.00 0.00 175.52 175.48 1wfs s LYS 125 N -4.45 2.83 -0.30 0.00 1.02 -1.26 -5.02 119.74 112.55 1wfs s LYS 125 Ca -0.05 -2.00 0.03 0.00 0.02 0.00 0.00 55.97 53.98 1wfs s LYS 125 Cb 0.14 -4.08 0.08 0.00 -0.52 0.00 0.00 37.83 33.44 1wfs s LYS 125 CO 0.48 -1.24 -0.03 0.54 -0.92 0.00 0.00 175.35 174.18 1wfs s VAL 126 N 0.97 2.19 0.46 3.17 0.11 -1.25 -0.84 120.40 125.21 1wfs s VAL 126 Ca 0.09 -1.97 0.00 0.00 -2.93 0.00 0.00 61.98 57.17 1wfs s VAL 126 Cb -0.23 -2.46 -0.00 0.00 -1.53 0.00 0.00 36.38 32.16 1wfs s VAL 126 CO -0.02 -0.32 0.69 -0.36 -3.33 0.00 0.00 175.10 171.76 1wfs s PHE 127 N 1.02 3.20 -0.01 1.54 0.08 -0.22 -4.92 117.98 118.67 1wfs s PHE 127 Ca 0.01 0.24 0.05 0.00 0.12 0.00 0.00 56.93 57.34 1wfs s PHE 127 Cb -0.19 -2.36 -0.01 0.00 -0.57 0.00 0.00 43.02 39.89 1wfs s PHE 127 CO -0.07 -0.41 -0.15 -2.00 -0.10 0.00 0.00 175.22 172.49 1wfs s GLU 128 N -4.59 1.22 -0.15 0.44 2.12 -1.26 -2.73 118.70 113.76 1wfs s GLU 128 Ca 0.49 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 55.31 1wfs s GLU 128 Cb -0.10 -1.18 0.01 0.00 0.26 0.00 0.00 34.13 33.13 1wfs s GLU 128 CO 0.38 0.32 -0.20 0.96 -0.54 0.00 0.00 175.26 176.18 1wfs s ILE 129 N -0.33 1.95 0.27 -3.70 -4.36 -1.08 -4.94 121.20 109.01 1wfs s ILE 129 Ca 0.05 -0.90 0.20 0.00 -0.26 0.00 0.00 60.65 59.74 1wfs s ILE 129 Cb -0.06 -1.75 0.18 0.00 1.25 0.00 0.00 42.46 42.08 1wfs s ILE 129 CO -0.00 0.53 1.85 -0.09 0.24 0.00 0.00 174.94 177.46 1wfs h ARG 130 N 7.53 0.00 -2.26 0.37 9.65 -1.87 -3.01 114.38 124.80 1wfs h ARG 130 Ca -0.36 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.45 1wfs h ARG 130 Cb 1.17 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 29.53 1wfs h ARG 130 CO 0.56 0.29 0.00 -0.08 2.80 0.00 0.00 179.97 183.55 1wfs s THR 131 N -3.88 0.00 0.26 0.20 -1.32 -1.26 -3.67 115.64 105.97 1wfs s THR 131 Ca -0.01 -0.01 0.06 0.00 -1.21 0.00 0.00 61.69 60.52 1wfs s THR 131 Cb 0.12 -0.85 0.31 0.00 -1.51 0.00 0.00 72.50 70.57 1wfs s THR 131 CO 0.66 -0.00 1.23 0.35 -2.21 0.00 0.00 174.62 174.65 1wfs n THR 132 N 2.67 -0.33 -0.30 5.08 -2.24 -1.26 0.10 114.28 118.01 1wfs n THR 132 Ca -0.14 1.68 0.07 0.00 -2.27 0.00 0.00 64.05 63.39 1wfs n THR 132 Cb 0.56 -2.54 0.17 0.00 -2.10 0.00 0.00 70.33 66.42 1wfs n THR 132 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1wfs h ASP 133 N 0.00 -0.58 -0.79 3.42 3.32 -1.96 0.28 116.42 120.11 1wfs h ASP 133 Ca 0.54 0.24 0.18 0.00 0.02 0.00 0.00 57.03 58.02 1wfs h ASP 133 Cb 1.23 0.46 -0.14 0.00 0.22 0.00 0.00 39.33 41.10 1wfs h ASP 133 CO -0.70 -0.27 -0.00 -0.78 -1.72 0.00 0.00 179.24 175.78 1wfs h ASP 134 N 0.04 -0.38 -0.15 6.45 3.58 0.29 -3.34 116.42 122.91 1wfs h ASP 134 Ca 0.46 0.21 -0.06 0.00 0.42 0.00 0.00 57.03 58.06 1wfs h ASP 134 Cb 0.81 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 1wfs h ASP 134 CO -0.83 -0.20 0.52 -0.11 -2.88 0.00 0.00 179.24 175.74 1wfs n LEU 135 N -5.37 0.48 -4.26 2.28 7.94 0.97 -4.65 117.00 114.39 1wfs n LEU 135 Ca 0.15 -1.62 -0.21 0.00 -1.11 0.00 0.00 56.01 53.22 1wfs n LEU 135 Cb 0.51 -1.32 -0.12 0.00 0.53 0.00 0.00 43.42 43.02 1wfs n LEU 135 CO 0.03 -2.60 -0.48 0.42 -1.11 0.00 0.00 177.39 173.65 1wfs s THR 136 N 10.74 1.52 0.36 1.96 -4.23 -1.26 -4.63 115.64 120.10 1wfs s THR 136 Ca 0.82 -1.60 0.15 0.00 -1.18 0.00 0.00 61.69 59.88 1wfs s THR 136 Cb -0.21 -1.50 0.36 0.00 1.34 0.00 0.00 72.50 72.49 1wfs s THR 136 CO 0.19 -0.22 1.74 -0.08 -0.54 0.00 0.00 174.62 175.71 1wfs h GLU 137 N 3.85 0.44 0.16 3.99 4.81 -1.89 -1.10 114.58 124.84 1wfs h GLU 137 Ca -0.43 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1wfs h GLU 137 Cb 1.19 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1wfs h GLU 137 CO 0.44 0.29 -0.08 1.15 -0.73 0.00 0.00 179.01 180.09 1wfs h THR 138 N 0.45 0.00 -1.26 0.32 2.02 -1.95 -2.29 112.91 110.21 1wfs h THR 138 Ca 0.63 -0.44 0.45 0.00 0.77 0.00 0.00 66.41 67.83 1wfs h THR 138 Cb 1.45 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.71 1wfs h THR 138 CO -0.39 0.00 0.78 1.87 0.37 0.00 0.00 175.52 178.16 1wfs n TRP 139 N -3.79 0.80 0.04 3.16 -0.00 -1.01 -0.26 117.44 116.38 1wfs n TRP 139 Ca -0.03 0.80 -0.02 0.00 -0.00 0.00 0.00 57.50 58.26 1wfs n TRP 139 Cb 0.08 -1.23 -0.01 0.00 -0.00 0.00 0.00 31.31 30.15 1wfs n TRP 139 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1wfs h LEU 140 N 0.00 -0.12 -1.10 5.87 5.85 -1.29 -3.24 115.31 121.29 1wfs h LEU 140 Ca 0.85 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.58 1wfs h LEU 140 Cb 2.64 0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.70 1wfs h LEU 140 CO -0.53 0.04 0.61 0.11 -0.34 0.00 0.00 178.44 178.34 1wfs h LYS 141 N -0.40 0.00 0.54 1.25 1.57 -0.56 -0.20 116.57 118.77 1wfs h LYS 141 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1wfs h LYS 141 Cb 0.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.42 1wfs h LYS 141 CO 0.02 0.00 -0.26 0.93 -0.57 0.00 0.00 179.45 179.57 1wfs h GLU 142 N 0.00 -0.70 -0.93 3.15 5.08 -0.65 0.32 114.58 120.84 1wfs h GLU 142 Ca 0.00 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.60 1wfs h GLU 142 Cb 1.22 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.55 1wfs h GLU 142 CO 0.00 -0.39 0.60 0.87 -1.00 0.00 0.00 179.01 179.08 1wfs h LYS 143 N -0.97 0.54 -0.01 2.33 6.56 -1.10 -1.43 116.57 122.50 1wfs h LYS 143 Ca -0.07 -0.03 -0.11 0.00 -1.06 0.00 0.00 60.65 59.37 1wfs h LYS 143 Cb 0.63 -0.12 0.01 0.00 -0.57 0.00 0.00 32.23 32.18 1wfs h LYS 143 CO 0.12 0.36 -0.44 -0.07 -2.06 0.00 0.00 179.45 177.36 1wfs h LEU 144 N 0.56 0.40 0.00 2.94 3.38 -1.50 -3.35 115.31 117.73 1wfs h LEU 144 Ca 0.49 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1wfs h LEU 144 Cb 1.01 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1wfs h LEU 144 CO -0.23 1.10 0.00 0.00 0.09 0.00 0.00 178.44 179.40 1wfs n ALA 145 N -2.56 0.00 -2.70 1.53 0.00 0.11 -4.76 120.51 112.13 1wfs n ALA 145 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 1wfs n ALA 145 Cb 0.59 0.08 0.09 0.00 0.00 0.00 0.00 19.45 20.22 1wfs n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wfs n SER 146 N -0.43 -1.93 -2.35 0.00 2.88 -1.09 -5.09 113.62 105.61 1wfs n SER 146 Ca 0.00 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 1wfs n SER 146 Cb 0.00 1.39 0.00 0.00 -0.75 0.00 0.00 64.21 64.85 1wfs n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 147 N -0.10 0.26 0.00 0.46 0.00 -1.17 -4.88 105.19 99.77 1wfs n GLY 147 Ca -0.02 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.35 1wfs n GLY 147 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfs n PRO 148 N 0.00 0.49 -0.32 1.61 -0.04 -1.26 -4.03 135.00 131.44 1wfs n PRO 148 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 1wfs n PRO 148 Cb 0.00 -1.17 0.30 0.00 -0.04 0.00 0.00 33.50 32.59 1wfs n PRO 148 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wfs n SER 149 N -0.67 -0.07 -4.07 3.54 3.41 -1.26 -4.55 113.62 109.95 1wfs n SER 149 Ca 0.04 1.59 -0.36 0.00 -0.26 0.00 0.00 58.87 59.88 1wfs n SER 149 Cb 0.02 -0.60 0.05 0.00 -0.26 0.00 0.00 64.21 63.42 1wfs n SER 149 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wfs n SER 150 N -5.36 -5.36 0.00 4.04 2.88 -1.26 -5.17 113.62 103.39 1wfs n SER 150 Ca 0.23 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1wfs n SER 150 Cb 0.76 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1wfs n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42