#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffs n ASP 3 N 0.00 3.20 0.21 0.00 4.64 -1.26 -4.84 116.55 118.50 1ffs n ASP 3 Ca 0.00 0.70 0.15 0.00 -1.38 0.00 0.00 54.79 54.26 1ffs n ASP 3 Cb 0.00 -1.40 0.73 0.00 -1.04 0.00 0.00 41.12 39.42 1ffs n ASP 3 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1ffs h LYS 4 N 11.11 0.00 -0.62 -0.67 1.79 -2.01 -0.99 116.57 125.19 1ffs h LYS 4 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1ffs h LYS 4 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1ffs h LYS 4 CO 0.96 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 179.72 1ffs n GLU 5 N -2.54 4.46 -1.65 3.15 -0.58 -1.26 -4.21 120.64 118.00 1ffs n GLU 5 Ca -0.01 -3.04 -0.47 0.00 -0.42 0.00 0.00 57.16 53.22 1ffs n GLU 5 Cb 0.12 -2.13 -0.04 0.00 -0.57 0.00 0.00 31.44 28.81 1ffs n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1ffs n LEU 6 N 0.83 2.78 -4.64 -4.62 7.94 -0.38 -4.82 117.00 114.10 1ffs n LEU 6 Ca 0.27 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.85 1ffs n LEU 6 Cb 1.08 -1.38 -0.04 0.00 0.53 0.00 0.00 43.42 43.61 1ffs n LEU 6 CO 0.29 -0.48 0.65 -0.75 -1.11 0.00 0.00 177.39 175.99 1ffs s LYS 7 N 0.67 4.17 0.01 1.96 2.20 -1.26 -4.45 119.74 123.04 1ffs s LYS 7 Ca 0.79 0.92 -0.02 0.00 -0.36 0.00 0.00 55.97 57.30 1ffs s LYS 7 Cb -0.73 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 31.90 1ffs s LYS 7 CO 0.41 -0.53 0.17 -0.06 -0.36 0.00 0.00 175.35 174.98 1ffs s PHE 8 N 2.85 3.48 -0.19 4.03 0.40 0.00 -0.52 117.98 128.04 1ffs s PHE 8 Ca 0.35 0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.99 1ffs s PHE 8 Cb -0.15 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.62 1ffs s PHE 8 CO 0.08 0.62 -0.15 -1.17 0.70 0.00 0.00 175.22 175.29 1ffs s LEU 9 N -2.04 2.27 -0.22 -0.37 2.96 -0.51 -0.08 118.68 120.69 1ffs s LEU 9 Ca 0.28 -0.78 -0.08 0.00 -0.22 0.00 0.00 54.13 53.33 1ffs s LEU 9 Cb -0.13 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1ffs s LEU 9 CO 0.20 -0.08 0.08 -0.69 -1.32 0.00 0.00 176.35 174.54 1ffs s VAL 10 N 1.33 4.64 -0.15 1.68 1.01 -0.06 -1.36 120.40 127.49 1ffs s VAL 10 Ca 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1ffs s VAL 10 Cb -0.15 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.11 1ffs s VAL 10 CO -0.10 0.39 -0.21 -0.69 0.00 0.00 0.00 175.10 174.49 1ffs s VAL 11 N 1.03 2.01 -0.26 2.92 1.01 -0.03 -1.67 120.40 125.42 1ffs s VAL 11 Ca 0.04 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 1ffs s VAL 11 Cb -0.14 -1.79 0.12 0.00 0.00 0.00 0.00 36.38 34.56 1ffs s VAL 11 CO 0.03 0.54 0.99 -0.62 0.00 0.00 0.00 175.10 176.04 1ffs s ASP 12 N 0.96 -0.47 0.00 3.32 -1.08 -0.95 -0.38 116.67 118.08 1ffs s ASP 12 Ca -0.04 0.85 0.24 0.00 -0.52 0.00 0.00 52.55 53.09 1ffs s ASP 12 Cb -0.15 0.84 1.06 0.00 -1.46 0.00 0.00 42.92 43.22 1ffs s ASP 12 CO -0.05 -0.20 1.78 -0.90 0.52 0.00 0.00 175.17 176.33 1ffs n ASP 13 N 2.02 0.00 -4.43 -0.34 5.75 -1.19 -4.32 116.55 114.04 1ffs n ASP 13 Ca -0.12 0.43 -0.39 0.00 -0.01 0.00 0.00 54.79 54.70 1ffs n ASP 13 Cb 0.56 -0.47 -0.12 0.00 -1.03 0.00 0.00 41.12 40.06 1ffs n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1ffs s PHE 14 N -2.95 3.18 0.53 2.11 0.08 -1.26 -4.97 117.98 114.70 1ffs s PHE 14 Ca 0.13 -0.59 0.20 0.00 0.12 0.00 0.00 56.93 56.79 1ffs s PHE 14 Cb 0.16 -2.35 1.36 0.00 -0.57 0.00 0.00 43.02 41.62 1ffs s PHE 14 CO 0.43 -0.46 2.13 0.66 -0.10 0.00 0.00 175.22 177.88 1ffs h SER 15 N 8.35 0.00 -0.27 1.36 4.64 -1.99 -1.66 113.55 123.98 1ffs h SER 15 Ca -0.32 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 1ffs h SER 15 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1ffs h SER 15 CO 0.62 0.00 -0.02 0.74 -0.87 0.00 0.00 176.83 177.29 1ffs h THR 16 N 0.00 1.27 -0.71 2.95 2.02 -1.96 -0.29 112.91 116.19 1ffs h THR 16 Ca 0.05 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 1ffs h THR 16 Cb 0.23 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1ffs h THR 16 CO -0.00 0.31 0.38 -0.03 0.37 0.00 0.00 175.52 176.55 1ffs h MET 17 N 0.26 0.99 -0.49 6.66 -1.53 -1.75 -0.44 114.93 118.62 1ffs h MET 17 Ca 0.07 -0.11 -0.04 0.00 -3.44 0.00 0.00 59.70 56.19 1ffs h MET 17 Cb 0.46 -0.19 -0.02 0.00 -0.55 0.00 0.00 31.60 31.30 1ffs h MET 17 CO 0.02 0.73 0.16 0.00 0.14 0.00 0.00 176.91 177.96 1ffs h ARG 18 N 0.99 0.75 -0.54 0.39 3.08 -0.89 -1.29 114.38 116.88 1ffs h ARG 18 Ca 0.25 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 1ffs h ARG 18 Cb 0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1ffs h ARG 18 CO -0.04 0.70 0.02 -0.09 -1.07 0.00 0.00 179.97 179.49 1ffs h ARG 19 N 0.65 0.89 -0.09 0.04 2.43 -0.35 -1.25 114.38 116.70 1ffs h ARG 19 Ca 0.16 -0.25 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1ffs h ARG 19 Cb 0.25 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1ffs h ARG 19 CO -0.01 0.88 -0.01 0.82 -1.51 0.00 0.00 179.97 180.14 1ffs h ILE 20 N 0.83 0.93 -0.76 1.20 2.04 -0.67 -0.30 117.51 120.78 1ffs h ILE 20 Ca 0.16 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 1ffs h ILE 20 Cb 0.46 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1ffs h ILE 20 CO 0.02 0.00 0.35 0.58 0.00 0.00 0.00 178.15 179.10 1ffs h VAL 21 N 0.02 1.25 -0.26 1.67 2.07 -0.97 -0.57 116.25 119.46 1ffs h VAL 21 Ca 0.04 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1ffs h VAL 21 Cb 0.06 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1ffs h VAL 21 CO -0.08 0.30 0.17 -0.09 0.02 0.00 0.00 177.57 177.89 1ffs h ARG 22 N 1.08 0.34 -0.63 1.57 2.43 -0.72 0.19 114.38 118.64 1ffs h ARG 22 Ca 0.26 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1ffs h ARG 22 Cb 0.15 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1ffs h ARG 22 CO -0.03 0.24 0.26 -0.91 -1.51 0.00 0.00 179.97 178.03 1ffs h ASN 23 N 0.34 0.86 -0.71 -3.80 4.21 -0.76 -0.47 115.58 115.24 1ffs h ASN 23 Ca 0.09 -0.16 0.04 0.00 1.21 0.00 0.00 56.30 57.48 1ffs h ASN 23 Cb -0.02 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 36.91 1ffs h ASN 23 CO -0.02 0.79 0.44 -0.07 -1.29 0.00 0.00 177.43 177.28 1ffs h LEU 24 N 0.88 0.71 -0.84 1.61 3.38 -0.57 0.20 115.31 120.69 1ffs h LEU 24 Ca 0.21 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1ffs h LEU 24 Cb 0.19 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1ffs h LEU 24 CO -0.02 0.49 0.25 -0.07 0.09 0.00 0.00 178.44 179.18 1ffs h LEU 25 N 0.85 1.03 -0.90 1.67 3.38 -0.49 -1.58 115.31 119.27 1ffs h LEU 25 Ca 0.29 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1ffs h LEU 25 Cb 0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1ffs h LEU 25 CO -0.12 0.94 0.50 0.50 0.09 0.00 0.00 178.44 180.35 1ffs h LYS 26 N 1.08 1.26 0.00 1.13 1.63 -0.11 -0.03 116.57 121.54 1ffs h LYS 26 Ca 0.24 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1ffs h LYS 26 Cb 0.26 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1ffs h LYS 26 CO -0.01 0.92 -0.13 1.49 -3.45 0.00 0.00 179.45 178.27 1ffs h GLU 27 N 1.27 0.00 -0.02 1.90 4.57 0.32 -1.06 114.58 121.56 1ffs h GLU 27 Ca 0.32 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1ffs h GLU 27 Cb 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1ffs h GLU 27 CO -0.05 0.13 -0.01 1.28 -1.18 0.00 0.00 179.01 179.17 1ffs n LEU 28 N -4.18 1.54 0.00 1.64 4.77 -0.51 -4.93 117.00 115.33 1ffs n LEU 28 Ca -0.02 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 1ffs n LEU 28 Cb 0.20 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1ffs n LEU 28 CO 0.34 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1ffs n GLY 29 N 1.19 0.88 3.28 -0.72 0.00 -0.40 -5.06 105.19 104.36 1ffs n GLY 29 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1ffs n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ffs s PHE 30 N -2.00 3.23 -0.90 1.61 0.08 -0.14 -4.83 117.98 115.03 1ffs s PHE 30 Ca 0.00 -1.37 0.12 0.00 0.12 0.00 0.00 56.93 55.80 1ffs s PHE 30 Cb 0.00 -2.26 -0.06 0.00 -0.57 0.00 0.00 43.02 40.13 1ffs s PHE 30 CO 0.00 -0.71 0.63 0.09 -0.10 0.00 0.00 175.22 175.13 1ffs n ASN 31 N 4.81 1.03 -4.43 1.36 3.02 -1.26 -3.14 115.26 116.66 1ffs n ASN 31 Ca -0.13 -1.02 -0.44 0.00 -0.03 0.00 0.00 54.58 52.96 1ffs n ASN 31 Cb 0.45 0.69 -0.01 0.00 -0.61 0.00 0.00 39.78 40.31 1ffs n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ffs s ASN 32 N -1.81 6.96 -0.04 6.41 2.47 -1.26 -4.96 114.94 122.71 1ffs s ASN 32 Ca 0.08 -2.79 0.04 0.00 0.42 0.00 0.00 52.86 50.61 1ffs s ASN 32 Cb 0.10 -2.35 -0.00 0.00 -1.45 0.00 0.00 41.25 37.54 1ffs s ASN 32 CO 0.39 -0.75 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.17 1ffs s VAL 33 N 1.32 1.31 0.28 -5.21 1.01 -1.26 -0.82 120.40 117.03 1ffs s VAL 33 Ca 0.36 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.77 1ffs s VAL 33 Cb -0.05 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 1ffs s VAL 33 CO -0.05 0.38 -0.13 -1.61 0.00 0.00 0.00 175.10 173.69 1ffs s GLU 34 N 0.00 1.62 0.19 2.72 0.41 0.89 -4.96 118.70 119.58 1ffs s GLU 34 Ca -0.02 -1.78 0.09 0.00 -0.41 0.00 0.00 54.97 52.85 1ffs s GLU 34 Cb -0.10 -1.50 -0.04 0.00 -1.78 0.00 0.00 34.13 30.71 1ffs s GLU 34 CO 0.01 0.19 -0.19 -1.21 -0.49 0.00 0.00 175.26 173.58 1ffs s GLU 35 N -3.61 1.38 0.01 1.61 2.02 -1.26 -0.88 118.70 117.97 1ffs s GLU 35 Ca 0.29 -1.50 -0.09 0.00 0.02 0.00 0.00 54.97 53.69 1ffs s GLU 35 Cb -0.00 -1.46 0.01 0.00 0.10 0.00 0.00 34.13 32.77 1ffs s GLU 35 CO 0.13 0.29 0.19 0.00 0.02 0.00 0.00 175.26 175.89 1ffs s ALA 36 N -2.15 -0.41 -1.44 5.21 0.00 -0.67 -4.92 121.76 117.38 1ffs s ALA 36 Ca 0.19 -0.12 0.19 0.00 0.00 0.00 0.00 51.96 52.22 1ffs s ALA 36 Cb -0.05 0.17 -0.08 0.00 0.00 0.00 0.00 23.12 23.15 1ffs s ALA 36 CO 0.08 -0.28 0.91 -0.85 0.00 0.00 0.00 175.76 175.62 1ffs n GLU 37 N 1.11 1.22 -3.85 0.00 0.28 -1.26 -2.23 120.64 115.91 1ffs n GLU 37 Ca -0.21 -0.57 -0.02 0.00 -0.16 0.00 0.00 57.16 56.21 1ffs n GLU 37 Cb 0.57 -1.38 0.01 0.00 1.43 0.00 0.00 31.44 32.07 1ffs n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1ffs s ASP 38 N -2.42 -0.03 0.30 -1.84 3.84 -1.26 -3.20 116.67 112.05 1ffs s ASP 38 Ca 0.13 -0.52 0.01 0.00 -0.00 0.00 0.00 52.55 52.17 1ffs s ASP 38 Cb 0.15 0.42 0.54 0.00 -1.38 0.00 0.00 42.92 42.65 1ffs s ASP 38 CO 0.60 -0.82 1.89 1.23 -0.00 0.00 0.00 175.17 178.07 1ffs h GLY 39 N 2.00 1.39 0.65 2.12 0.00 -1.30 -0.04 103.07 107.90 1ffs h GLY 39 Ca -0.27 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1ffs h GLY 39 CO 0.33 0.27 -0.07 -2.08 0.00 0.00 0.00 176.54 174.99 1ffs h VAL 40 N 1.02 1.01 -0.63 4.60 2.07 -1.90 -0.12 116.25 122.30 1ffs h VAL 40 Ca 0.42 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1ffs h VAL 40 Cb 0.28 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1ffs h VAL 40 CO -0.17 0.17 0.42 -0.78 0.02 0.00 0.00 177.57 177.23 1ffs h ASP 41 N -0.55 0.51 -0.29 0.57 3.58 -1.92 -1.10 116.42 117.22 1ffs h ASP 41 Ca -0.02 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 1ffs h ASP 41 Cb 0.43 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1ffs h ASP 41 CO 0.03 0.32 -0.25 0.00 -2.88 0.00 0.00 179.24 176.47 1ffs h ALA 42 N 1.66 0.42 -0.80 -0.78 0.00 -0.62 -2.45 119.26 116.70 1ffs h ALA 42 Ca 0.28 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ffs h ALA 42 Cb 0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1ffs h ALA 42 CO -0.09 0.40 0.40 -0.07 0.00 0.00 0.00 179.25 179.90 1ffs h LEU 43 N 0.42 1.03 -0.25 0.00 3.38 -0.29 0.38 115.31 119.98 1ffs h LEU 43 Ca 0.05 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ffs h LEU 43 Cb 0.81 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ffs h LEU 43 CO 0.06 0.85 0.15 0.78 0.09 0.00 0.00 178.44 180.38 1ffs h ASN 44 N 1.13 0.30 -0.24 -0.43 2.35 -1.09 -2.66 115.58 114.94 1ffs h ASN 44 Ca 0.28 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.85 1ffs h ASN 44 Cb 0.08 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1ffs h ASN 44 CO -0.04 0.25 -0.32 0.11 -1.65 0.00 0.00 177.43 175.78 1ffs h LYS 45 N 0.31 0.75 0.00 0.81 6.56 -1.10 -2.66 116.57 121.25 1ffs h LYS 45 Ca 0.09 -0.35 -0.00 0.00 -1.06 0.00 0.00 60.65 59.33 1ffs h LYS 45 Cb 0.01 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1ffs h LYS 45 CO -0.02 0.97 -0.00 -0.07 -2.06 0.00 0.00 179.45 178.27 1ffs h LEU 46 N 0.63 0.00 -1.83 2.94 3.38 -0.75 -1.85 115.31 117.84 1ffs h LEU 46 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ffs h LEU 46 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1ffs h LEU 46 CO 0.07 0.00 0.12 1.56 0.09 0.00 0.00 178.44 180.29 1ffs h GLN 47 N 0.00 0.23 0.00 1.13 1.08 -1.12 -1.55 115.11 114.88 1ffs h GLN 47 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1ffs h GLN 47 Cb 0.00 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1ffs h GLN 47 CO 0.00 0.15 0.00 0.00 -0.95 0.00 0.00 178.83 178.03 1ffs h ALA 48 N 1.88 1.00 -0.94 3.87 0.00 -1.49 -3.48 119.26 120.11 1ffs h ALA 48 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1ffs h ALA 48 Cb -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1ffs h ALA 48 CO -0.01 0.00 -0.28 0.41 0.00 0.00 0.00 179.25 179.37 1ffs n GLY 49 N -0.90 -2.34 1.97 0.00 0.00 -0.58 -5.00 105.19 98.33 1ffs n GLY 49 Ca -0.02 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1ffs n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffs n GLY 50 N -2.89 0.40 3.87 -0.02 0.00 -1.26 -5.05 105.19 100.23 1ffs n GLY 50 Ca -0.02 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1ffs n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ffs s TYR 51 N -2.00 3.60 -0.11 1.61 2.02 -1.26 -4.59 117.35 116.61 1ffs s TYR 51 Ca 0.00 0.69 0.05 0.00 -0.37 0.00 0.00 57.07 57.44 1ffs s TYR 51 Cb 0.00 -2.07 -0.07 0.00 -0.40 0.00 0.00 41.96 39.42 1ffs s TYR 51 CO 0.00 0.60 0.16 0.41 -1.57 0.00 0.00 175.55 175.16 1ffs n GLY 52 N 1.24 0.10 3.56 0.71 0.00 0.33 -4.94 105.19 106.18 1ffs n GLY 52 Ca -0.12 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 1ffs n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ffs s PHE 53 N -1.97 -0.71 -0.10 1.61 2.19 -0.98 -4.23 117.98 113.79 1ffs s PHE 53 Ca -0.00 1.63 0.02 0.00 0.33 0.00 0.00 56.93 58.91 1ffs s PHE 53 Cb 0.04 0.28 0.01 0.00 -1.31 0.00 0.00 43.02 42.04 1ffs s PHE 53 CO 0.22 -0.42 -0.15 0.08 1.83 0.00 0.00 175.22 176.78 1ffs s VAL 54 N -0.03 1.46 -0.24 3.12 1.01 -0.37 -1.42 120.40 123.93 1ffs s VAL 54 Ca -0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1ffs s VAL 54 Cb -0.04 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1ffs s VAL 54 CO 0.03 0.43 -0.06 -0.63 0.00 0.00 0.00 175.10 174.87 1ffs s ILE 55 N 0.86 3.06 -0.03 2.22 1.01 -0.46 -0.47 121.20 127.39 1ffs s ILE 55 Ca -0.09 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1ffs s ILE 55 Cb -0.15 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 1ffs s ILE 55 CO 0.01 0.30 -0.16 -0.55 0.00 0.00 0.00 174.94 174.54 1ffs s SER 56 N 1.39 2.01 0.88 3.58 0.15 -0.09 -0.85 113.70 120.78 1ffs s SER 56 Ca 0.03 -0.32 -0.11 0.00 0.70 0.00 0.00 55.95 56.25 1ffs s SER 56 Cb -0.15 -0.44 0.12 0.00 -1.71 0.00 0.00 66.02 63.84 1ffs s SER 56 CO -0.04 0.17 1.09 -0.62 1.20 0.00 0.00 173.24 175.04 1ffs s ASP 57 N -0.10 3.56 -0.11 5.45 2.15 0.49 -0.35 116.67 127.76 1ffs s ASP 57 Ca 0.00 1.64 -0.08 0.00 0.43 0.00 0.00 52.55 54.54 1ffs s ASP 57 Cb -0.09 -2.31 -0.03 0.00 -0.30 0.00 0.00 42.92 40.19 1ffs s ASP 57 CO 0.01 -2.60 -0.16 1.87 -0.17 0.00 0.00 175.17 174.11 1ffs n TRP 58 N -3.88 0.55 -2.76 -5.34 -0.00 -0.86 -3.50 117.44 101.66 1ffs n TRP 58 Ca 0.08 0.24 -0.43 0.00 -0.00 0.00 0.00 57.50 57.39 1ffs n TRP 58 Cb 0.54 -0.58 -0.03 0.00 -0.00 0.00 0.00 31.31 31.24 1ffs n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1ffs s ASN 59 N -5.23 6.52 -0.01 5.87 -0.87 -1.26 -0.47 114.94 119.50 1ffs s ASN 59 Ca -0.13 0.19 -0.12 0.00 -1.57 0.00 0.00 52.86 51.22 1ffs s ASN 59 Cb 0.02 -2.48 0.01 0.00 -0.02 0.00 0.00 41.25 38.78 1ffs s ASN 59 CO 0.20 -1.13 0.24 -0.04 -2.57 0.00 0.00 177.10 173.80 1ffs s MET 60 N 3.99 0.60 0.84 -0.60 -1.94 -1.26 -4.75 119.30 116.16 1ffs s MET 60 Ca 0.40 -0.28 -0.12 0.00 -1.71 0.00 0.00 55.69 53.98 1ffs s MET 60 Cb -0.09 0.26 0.09 0.00 2.01 0.00 0.00 34.83 37.10 1ffs s MET 60 CO 0.28 -0.16 1.11 -1.25 -0.01 0.00 0.00 175.02 174.99 1ffs s PRO 61 N -1.35 1.76 0.00 2.03 0.04 -1.26 -3.69 135.00 132.53 1ffs s PRO 61 Ca -0.14 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1ffs s PRO 61 Cb -0.06 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1ffs s PRO 61 CO 0.03 -1.81 0.00 0.09 0.04 0.00 0.00 177.00 175.35 1ffs n ASN 62 N -3.53 0.00 -3.67 6.66 3.02 -1.26 -4.54 115.26 111.94 1ffs n ASN 62 Ca 0.07 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.47 1ffs n ASN 62 Cb 0.58 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.60 1ffs n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1ffs s MET 63 N 0.00 0.10 1.03 3.52 1.75 -1.26 -4.95 119.30 119.49 1ffs s MET 63 Ca 0.00 0.66 -0.17 0.00 -1.25 0.00 0.00 55.69 54.92 1ffs s MET 63 Cb 0.00 -0.14 0.24 0.00 2.84 0.00 0.00 34.83 37.77 1ffs s MET 63 CO 0.00 -0.29 1.31 0.16 -0.65 0.00 0.00 175.02 175.56 1ffs s ASP 64 N 2.29 2.48 0.15 1.11 1.47 -1.24 -0.97 116.67 121.96 1ffs s ASP 64 Ca 0.01 0.23 -0.11 0.00 1.18 0.00 0.00 52.55 53.86 1ffs s ASP 64 Cb -0.12 -0.21 -0.01 0.00 -0.34 0.00 0.00 42.92 42.24 1ffs s ASP 64 CO -0.07 -3.12 1.53 1.23 0.68 0.00 0.00 175.17 175.41 1ffs h GLY 65 N -1.91 1.03 1.48 2.12 0.00 -0.81 -1.97 103.07 103.01 1ffs h GLY 65 Ca -0.44 -0.93 -0.02 0.00 0.00 0.00 0.00 47.33 45.94 1ffs h GLY 65 CO 0.32 0.84 0.20 -2.00 0.00 0.00 0.00 176.54 175.90 1ffs h LEU 66 N 0.79 0.61 -0.30 3.11 5.85 -1.84 -0.49 115.31 123.03 1ffs h LEU 66 Ca 0.10 -0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.56 1ffs h LEU 66 Cb 0.80 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1ffs h LEU 66 CO 0.07 0.54 -0.85 -0.08 -0.34 0.00 0.00 178.44 177.78 1ffs h GLU 67 N 0.67 0.29 0.02 1.25 4.81 -1.91 -2.21 114.58 117.50 1ffs h GLU 67 Ca 0.16 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1ffs h GLU 67 Cb 0.12 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1ffs h GLU 67 CO -0.02 0.98 -0.01 1.25 -0.73 0.00 0.00 179.01 180.49 1ffs h LEU 68 N 0.17 -0.02 0.03 1.64 5.85 -0.86 -1.29 115.31 120.83 1ffs h LEU 68 Ca -0.05 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1ffs h LEU 68 Cb 1.46 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.44 1ffs h LEU 68 CO 0.14 0.06 -0.40 0.25 -0.34 0.00 0.00 178.44 178.15 1ffs h LEU 69 N -0.10 -1.19 -1.38 2.25 5.85 -1.03 0.23 115.31 119.94 1ffs h LEU 69 Ca -0.00 0.14 0.14 0.00 0.84 0.00 0.00 57.88 59.00 1ffs h LEU 69 Cb 0.09 0.46 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 1ffs h LEU 69 CO 0.00 -0.45 0.55 0.11 -0.34 0.00 0.00 178.44 178.31 1ffs h LYS 70 N -0.57 0.59 -0.13 1.25 1.57 -1.34 0.12 116.57 118.06 1ffs h LYS 70 Ca 0.04 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 1ffs h LYS 70 Cb 0.64 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1ffs h LYS 70 CO -0.29 0.39 -0.63 1.15 -0.57 0.00 0.00 179.45 179.50 1ffs h THR 71 N 0.61 1.32 -0.64 -0.16 2.02 0.11 -2.08 112.91 114.10 1ffs h THR 71 Ca 0.42 -1.88 -0.01 0.00 0.77 0.00 0.00 66.41 65.70 1ffs h THR 71 Cb 0.73 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 69.18 1ffs h THR 71 CO -0.17 0.58 0.36 0.40 0.37 0.00 0.00 175.52 177.06 1ffs h ILE 72 N 0.34 1.20 0.00 3.11 2.04 0.33 -2.79 117.51 121.74 1ffs h ILE 72 Ca -0.04 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1ffs h ILE 72 Cb 1.27 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1ffs h ILE 72 CO 0.13 0.21 -0.06 0.03 0.00 0.00 0.00 178.15 178.46 1ffs h ARG 73 N 0.87 0.00 -0.02 2.37 2.47 -0.91 -2.72 114.38 116.44 1ffs h ARG 73 Ca 0.23 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 1ffs h ARG 73 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1ffs h ARG 73 CO -0.04 0.06 -0.14 0.00 0.56 0.00 0.00 179.97 180.41 1ffs n ALA 74 N -2.13 2.82 -2.50 0.04 0.00 -0.79 -4.73 120.51 113.21 1ffs n ALA 74 Ca 0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 1ffs n ALA 74 Cb 0.32 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 1ffs n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ffs s ASP 75 N -2.18 6.23 0.53 0.00 -1.08 -1.03 -4.96 116.67 114.18 1ffs s ASP 75 Ca 0.28 -0.51 0.30 0.00 -0.52 0.00 0.00 52.55 52.10 1ffs s ASP 75 Cb 0.20 -2.24 1.44 0.00 -1.46 0.00 0.00 42.92 40.86 1ffs s ASP 75 CO 0.40 -0.58 1.91 1.23 0.52 0.00 0.00 175.17 178.64 1ffs h GLY 76 N 9.14 0.06 2.00 2.66 0.00 -1.87 0.36 103.07 115.42 1ffs h GLY 76 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ffs h GLY 76 CO 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.34 1ffs h ALA 77 N 1.59 1.00 0.00 3.60 0.00 -1.92 -3.35 119.26 120.17 1ffs h ALA 77 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1ffs h ALA 77 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1ffs h ALA 77 CO -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 179.25 178.89 1ffs n MET 78 N -2.83 0.00 0.33 0.00 0.00 -0.33 -4.90 117.12 109.39 1ffs n MET 78 Ca 0.03 -0.82 0.19 0.00 0.00 0.00 0.00 57.70 57.10 1ffs n MET 78 Cb 0.43 -0.47 1.01 0.00 0.00 0.00 0.00 33.22 34.19 1ffs n MET 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1ffs h SER 79 N 0.00 0.00 -0.07 3.17 4.64 -0.36 -0.52 113.55 120.41 1ffs h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ffs h SER 79 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ffs h SER 79 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1ffs n ALA 80 N -2.01 2.46 -1.66 5.18 0.00 -1.26 -4.60 120.51 118.62 1ffs n ALA 80 Ca -0.02 -0.72 -0.48 0.00 0.00 0.00 0.00 53.44 52.22 1ffs n ALA 80 Cb 0.23 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 1ffs n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ffs n LEU 81 N 1.26 2.85 -4.74 0.00 7.94 -0.21 -4.90 117.00 119.21 1ffs n LEU 81 Ca 0.14 1.07 -0.42 0.00 -1.11 0.00 0.00 56.01 55.69 1ffs n LEU 81 Cb 0.56 -1.36 -0.02 0.00 0.53 0.00 0.00 43.42 43.13 1ffs n LEU 81 CO 0.14 -0.39 1.25 -2.84 -1.11 0.00 0.00 177.39 174.43 1ffs s PRO 82 N 1.55 4.15 -0.13 1.96 0.02 -1.26 -4.93 135.00 136.37 1ffs s PRO 82 Ca 0.83 2.52 -0.01 0.00 0.02 0.00 0.00 61.00 64.36 1ffs s PRO 82 Cb -0.75 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 30.75 1ffs s PRO 82 CO 0.43 -0.62 -0.02 0.08 -0.33 0.00 0.00 177.00 176.54 1ffs s VAL 83 N 0.34 0.71 -0.25 3.83 1.01 -1.26 -1.24 120.40 123.54 1ffs s VAL 83 Ca 0.66 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 1ffs s VAL 83 Cb -0.47 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1ffs s VAL 83 CO 0.42 0.16 0.14 -0.22 0.00 0.00 0.00 175.10 175.60 1ffs s LEU 84 N 1.82 3.88 -0.00 3.92 2.96 0.38 -0.82 118.68 130.81 1ffs s LEU 84 Ca 0.03 -0.01 -0.22 0.00 -0.22 0.00 0.00 54.13 53.70 1ffs s LEU 84 Cb -0.14 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 1ffs s LEU 84 CO -0.07 0.01 0.65 -0.04 -1.32 0.00 0.00 176.35 175.58 1ffs s MET 85 N 1.37 4.38 -0.19 1.98 -1.94 0.17 -0.91 119.30 124.16 1ffs s MET 85 Ca 0.06 0.82 -0.04 0.00 -1.71 0.00 0.00 55.69 54.83 1ffs s MET 85 Cb -0.15 -3.36 -0.02 0.00 2.01 0.00 0.00 34.83 33.31 1ffs s MET 85 CO 0.06 0.31 -0.03 0.08 -0.01 0.00 0.00 175.02 175.43 1ffs s VAL 86 N -0.04 3.70 0.15 -6.03 1.01 0.52 -0.27 120.40 119.45 1ffs s VAL 86 Ca 0.33 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.97 1ffs s VAL 86 Cb -0.19 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1ffs s VAL 86 CO 0.19 0.45 -0.12 0.28 0.00 0.00 0.00 175.10 175.89 1ffs s THR 87 N 0.96 1.36 -2.40 3.92 -1.32 -0.07 -2.02 115.64 116.08 1ffs s THR 87 Ca 0.00 -2.00 0.27 0.00 -1.21 0.00 0.00 61.69 58.76 1ffs s THR 87 Cb -0.15 -1.80 0.40 0.00 -1.51 0.00 0.00 72.50 69.45 1ffs s THR 87 CO 0.01 -0.61 1.59 0.00 -2.21 0.00 0.00 174.62 173.40 1ffs n ALA 88 N -0.02 2.72 -3.64 11.08 0.00 -1.26 0.13 120.51 129.51 1ffs n ALA 88 Ca -0.11 -0.49 -0.09 0.00 0.00 0.00 0.00 53.44 52.75 1ffs n ALA 88 Cb 0.59 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 1ffs n ALA 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ffs s GLU 89 N -2.13 0.66 -0.25 0.00 2.12 -1.26 -4.72 118.70 113.12 1ffs s GLU 89 Ca 0.32 0.94 -0.29 0.00 0.36 0.00 0.00 54.97 56.31 1ffs s GLU 89 Cb 0.20 0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.84 1ffs s GLU 89 CO 0.38 -0.11 1.05 0.00 -0.54 0.00 0.00 175.26 176.05 1ffs s ALA 90 N 0.92 3.65 -0.07 6.30 0.00 -1.26 -4.97 121.76 126.33 1ffs s ALA 90 Ca -0.04 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 1ffs s ALA 90 Cb -0.05 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.54 1ffs s ALA 90 CO -0.10 -1.13 0.16 0.21 0.00 0.00 0.00 175.76 174.90 1ffs s LYS 91 N 3.29 0.09 0.26 0.00 2.20 -1.26 -5.07 119.74 119.25 1ffs s LYS 91 Ca 0.44 0.43 -0.09 0.00 -0.36 0.00 0.00 55.97 56.40 1ffs s LYS 91 Cb -0.15 -0.19 0.41 0.00 -1.51 0.00 0.00 37.83 36.40 1ffs s LYS 91 CO 0.08 -0.19 1.59 1.57 -0.36 0.00 0.00 175.35 178.03 1ffs h LYS 92 N 7.47 0.01 -0.83 4.03 2.10 -2.00 -0.53 116.57 126.82 1ffs h LYS 92 Ca -0.37 -0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.32 1ffs h LYS 92 Cb 1.14 -0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.42 1ffs h LYS 92 CO 0.36 0.01 0.55 1.05 -2.00 0.00 0.00 179.45 179.42 1ffs h GLU 93 N 0.01 0.99 0.07 0.07 9.09 -1.99 -1.70 114.58 121.12 1ffs h GLU 93 Ca 0.43 -0.06 -0.28 0.00 0.05 0.00 0.00 59.36 59.50 1ffs h GLU 93 Cb 0.69 -0.22 0.02 0.00 -1.65 0.00 0.00 28.75 27.59 1ffs h GLU 93 CO -0.86 0.66 -1.14 -0.91 0.05 0.00 0.00 179.01 176.81 1ffs h ASN 94 N 1.02 0.79 -0.17 3.06 -0.26 -1.51 -2.34 115.58 116.16 1ffs h ASN 94 Ca 0.33 -0.69 -0.02 0.00 -0.56 0.00 0.00 56.30 55.36 1ffs h ASN 94 Cb 0.05 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 1ffs h ASN 94 CO -0.10 1.50 0.04 0.40 -1.06 0.00 0.00 177.43 178.22 1ffs h ILE 95 N 0.29 1.20 0.04 2.81 1.08 -1.14 0.11 117.51 121.89 1ffs h ILE 95 Ca -0.15 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 1ffs h ILE 95 Cb 1.80 1.29 -0.00 0.00 -3.07 0.00 0.00 36.82 36.84 1ffs h ILE 95 CO 0.21 0.19 -0.04 0.40 -0.69 0.00 0.00 178.15 178.23 1ffs h ILE 96 N 0.09 0.91 -0.65 -0.67 2.04 -1.41 0.07 117.51 117.88 1ffs h ILE 96 Ca 0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.01 1ffs h ILE 96 Cb 0.26 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 1ffs h ILE 96 CO 0.00 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.43 1ffs h ALA 97 N 0.87 0.87 -0.31 1.87 0.00 -1.19 0.14 119.26 121.51 1ffs h ALA 97 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ffs h ALA 97 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ffs h ALA 97 CO -0.01 -0.13 0.11 0.00 0.00 0.00 0.00 179.25 179.22 1ffs h ALA 98 N 1.42 0.41 0.13 0.00 0.00 -0.41 -1.78 119.26 119.02 1ffs h ALA 98 Ca 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ffs h ALA 98 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ffs h ALA 98 CO -0.29 0.03 -0.06 0.00 0.00 0.00 0.00 179.25 178.93 1ffs h ALA 99 N 0.95 -0.18 0.00 0.00 0.00 -0.13 -0.77 119.26 119.13 1ffs h ALA 99 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ffs h ALA 99 Cb 0.22 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ffs h ALA 99 CO -0.01 -0.53 -0.07 1.96 0.00 0.00 0.00 179.25 180.61 1ffs h GLN 100 N -0.31 0.00 -0.06 0.00 1.08 -0.78 -1.76 115.11 113.28 1ffs h GLN 100 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1ffs h GLN 100 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1ffs h GLN 100 CO 0.03 0.07 0.00 0.00 -0.95 0.00 0.00 178.83 177.98 1ffs n ALA 101 N -2.25 2.57 -0.46 3.87 0.00 -0.67 -4.93 120.51 118.63 1ffs n ALA 101 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1ffs n ALA 101 Cb 0.18 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1ffs n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffs n GLY 102 N 1.14 0.90 3.77 0.00 0.00 -0.66 -4.60 105.19 105.73 1ffs n GLY 102 Ca 0.18 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1ffs n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffs s ALA 103 N -2.00 3.37 0.02 4.61 0.00 -0.31 -4.87 121.76 122.57 1ffs s ALA 103 Ca 0.00 1.40 0.22 0.00 0.00 0.00 0.00 51.96 53.59 1ffs s ALA 103 Cb 0.00 -3.55 0.71 0.00 0.00 0.00 0.00 23.12 20.28 1ffs s ALA 103 CO 0.00 -0.97 1.73 0.77 0.00 0.00 0.00 175.76 177.29 1ffs h SER 104 N 2.76 0.00 0.00 0.00 0.02 -1.31 -3.45 113.55 111.57 1ffs h SER 104 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1ffs h SER 104 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1ffs h SER 104 CO 0.63 0.25 0.00 0.61 -1.14 0.00 0.00 176.83 177.18 1ffs n GLY 105 N 0.46 -0.78 3.13 -3.77 0.00 -1.23 -4.87 105.19 98.14 1ffs n GLY 105 Ca 0.01 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 1ffs n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ffs s TYR 106 N -2.00 0.08 -0.00 1.61 -0.85 -1.26 -0.66 117.35 114.27 1ffs s TYR 106 Ca 0.00 -0.25 -0.00 0.00 -0.52 0.00 0.00 57.07 56.30 1ffs s TYR 106 Cb 0.00 -0.07 -0.00 0.00 0.38 0.00 0.00 41.96 42.27 1ffs s TYR 106 CO 0.00 -0.34 0.01 0.54 -1.52 0.00 0.00 175.55 174.24 1ffs s VAL 107 N -1.95 0.02 -0.25 -3.49 0.11 0.63 -4.90 120.40 110.57 1ffs s VAL 107 Ca -0.10 -0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 58.65 1ffs s VAL 107 Cb -0.05 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.71 1ffs s VAL 107 CO -0.01 -0.07 0.42 -0.69 -3.33 0.00 0.00 175.10 171.41 1ffs s VAL 108 N -0.21 5.15 0.33 2.04 1.01 -1.26 -0.89 120.40 126.57 1ffs s VAL 108 Ca -0.02 0.69 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 1ffs s VAL 108 Cb -0.02 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 1ffs s VAL 108 CO -0.00 0.16 0.78 -1.59 0.00 0.00 0.00 175.10 174.45 1ffs s LYS 109 N 1.95 4.08 0.30 2.72 -2.85 0.12 -3.76 119.74 122.30 1ffs s LYS 109 Ca 0.18 0.78 -0.28 0.00 -1.00 0.00 0.00 55.97 55.65 1ffs s LYS 109 Cb -0.15 -2.44 -0.09 0.00 -2.06 0.00 0.00 37.83 33.08 1ffs s LYS 109 CO 0.09 0.15 1.02 -1.25 0.10 0.00 0.00 175.35 175.47 1ffs s PRO 110 N -2.89 4.60 0.21 1.78 0.04 -1.26 -4.62 135.00 132.86 1ffs s PRO 110 Ca 0.54 1.59 0.10 0.00 0.04 0.00 0.00 61.00 63.27 1ffs s PRO 110 Cb -0.11 -3.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 1ffs s PRO 110 CO 0.17 0.24 -0.18 -0.59 0.04 0.00 0.00 177.00 176.68 1ffs s PHE 111 N -1.33 1.96 0.61 0.56 -0.12 -1.25 -5.16 117.98 113.26 1ffs s PHE 111 Ca 0.47 -0.45 -0.03 0.00 -0.05 0.00 0.00 56.93 56.87 1ffs s PHE 111 Cb -0.26 -0.91 0.04 0.00 -0.63 0.00 0.00 43.02 41.25 1ffs s PHE 111 CO 0.33 0.47 0.88 0.95 -0.05 0.00 0.00 175.22 177.80 1ffs s THR 112 N -2.45 2.80 0.30 -4.49 -4.23 -1.26 -4.96 115.64 101.35 1ffs s THR 112 Ca 0.22 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 1ffs s THR 112 Cb -0.04 -3.12 0.15 0.00 1.34 0.00 0.00 72.50 70.83 1ffs s THR 112 CO 0.09 -0.11 1.84 0.00 -0.54 0.00 0.00 174.62 175.91 1ffs h ALA 113 N -0.19 1.27 -0.46 3.99 0.00 -1.99 -1.46 119.26 120.42 1ffs h ALA 113 Ca -0.44 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 1ffs h ALA 113 Cb 1.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ffs h ALA 113 CO 0.57 0.50 -0.19 0.00 0.00 0.00 0.00 179.25 180.13 1ffs h ALA 114 N 1.40 0.80 -0.53 0.00 0.00 -1.99 -0.46 119.26 118.48 1ffs h ALA 114 Ca 0.14 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1ffs h ALA 114 Cb 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ffs h ALA 114 CO 0.01 0.65 0.06 1.15 0.00 0.00 0.00 179.25 181.12 1ffs h THR 115 N 0.79 1.26 -0.83 0.00 2.02 -1.85 -2.13 112.91 112.16 1ffs h THR 115 Ca 0.11 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1ffs h THR 115 Cb 0.74 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1ffs h THR 115 CO 0.06 0.36 0.48 0.25 0.37 0.00 0.00 175.52 177.03 1ffs h LEU 116 N 0.77 1.02 -0.45 2.58 5.85 -0.97 -1.06 115.31 123.05 1ffs h LEU 116 Ca 0.16 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1ffs h LEU 116 Cb 0.44 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1ffs h LEU 116 CO 0.02 0.81 0.21 -0.08 -0.34 0.00 0.00 178.44 179.05 1ffs h GLU 117 N 1.15 0.66 -0.54 1.25 4.81 -0.94 0.72 114.58 121.70 1ffs h GLU 117 Ca 0.30 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1ffs h GLU 117 Cb -0.00 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1ffs h GLU 117 CO -0.05 0.57 0.31 0.93 -0.73 0.00 0.00 179.01 180.04 1ffs h GLU 118 N 0.59 0.75 -0.19 1.92 5.08 -1.08 0.17 114.58 121.81 1ffs h GLU 118 Ca 0.15 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1ffs h GLU 118 Cb 0.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1ffs h GLU 118 CO -0.02 0.57 0.09 0.87 -1.00 0.00 0.00 179.01 179.52 1ffs h LYS 119 N 0.72 0.27 -0.47 2.33 1.79 -0.76 -0.40 116.57 120.05 1ffs h LYS 119 Ca 0.19 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 1ffs h LYS 119 Cb 0.03 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1ffs h LYS 119 CO -0.03 0.30 0.23 -0.07 -1.08 0.00 0.00 179.45 178.79 1ffs h LEU 120 N 0.18 0.62 -0.56 2.94 4.07 -0.70 -1.99 115.31 119.87 1ffs h LEU 120 Ca 0.07 -0.13 -0.06 0.00 0.08 0.00 0.00 57.88 57.84 1ffs h LEU 120 Cb 0.11 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 1ffs h LEU 120 CO -0.01 0.58 0.13 0.78 -1.08 0.00 0.00 178.44 178.84 1ffs h ASN 121 N 0.62 0.86 -0.28 -0.43 2.35 -0.48 0.19 115.58 118.40 1ffs h ASN 121 Ca 0.16 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1ffs h ASN 121 Cb 0.12 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1ffs h ASN 121 CO -0.02 0.87 0.17 0.50 -1.65 0.00 0.00 177.43 177.30 1ffs h LYS 122 N 0.80 0.38 -0.38 0.81 1.63 -0.96 -0.45 116.57 118.40 1ffs h LYS 122 Ca 0.18 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 1ffs h LYS 122 Cb 0.35 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 1ffs h LYS 122 CO 0.00 0.30 0.21 0.82 -3.45 0.00 0.00 179.45 177.33 1ffs h ILE 123 N 0.35 1.14 -0.86 2.00 1.08 -0.98 -1.67 117.51 118.58 1ffs h ILE 123 Ca 0.10 -0.35 0.06 0.00 -0.39 0.00 0.00 64.86 64.28 1ffs h ILE 123 Cb 0.01 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.39 1ffs h ILE 123 CO -0.02 0.14 0.54 -0.26 -0.69 0.00 0.00 178.15 177.86 1ffs h PHE 124 N 0.49 1.00 0.31 1.37 0.05 -0.35 -0.80 116.94 119.01 1ffs h PHE 124 Ca 0.13 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.94 1ffs h PHE 124 Cb 0.04 -0.33 0.00 0.00 2.00 0.00 0.00 35.95 37.67 1ffs h PHE 124 CO -0.03 0.52 -0.15 1.49 -0.18 0.00 0.00 178.31 179.96 1ffs h GLU 125 N 1.00 -0.41 -0.89 1.51 4.81 -0.89 -0.02 114.58 119.70 1ffs h GLU 125 Ca 0.37 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.74 1ffs h GLU 125 Cb 0.14 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.53 1ffs h GLU 125 CO -0.16 -0.15 0.52 0.87 -0.73 0.00 0.00 179.01 179.36 1ffs h LYS 126 N -0.61 0.82 -0.01 1.92 1.57 -1.10 -2.53 116.57 116.62 1ffs h LYS 126 Ca -0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ffs h LYS 126 Cb 0.44 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1ffs h LYS 126 CO 0.07 0.54 -0.11 1.28 -0.57 0.00 0.00 179.45 180.66 1ffs n LEU 127 N -4.72 1.19 -1.82 2.94 4.77 -0.33 -4.95 117.00 114.09 1ffs n LEU 127 Ca 0.16 -0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 55.67 1ffs n LEU 127 Cb 0.32 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1ffs n LEU 127 CO 0.26 0.21 0.05 0.61 -1.33 0.00 0.00 177.39 177.19 1ffs n GLY 128 N 1.25 0.12 0.81 -0.72 0.00 -0.44 -5.06 105.19 101.14 1ffs n GLY 128 Ca 0.16 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1ffs n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35