#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpv s LEU 3 N 0.00 4.37 -0.13 -4.42 1.43 -1.26 -1.38 118.68 117.29 1wpv s LEU 3 Ca 0.00 2.61 -0.29 0.00 -1.03 0.00 0.00 54.13 55.42 1wpv s LEU 3 Cb 0.00 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1wpv s LEU 3 CO 0.00 -0.80 1.23 -2.28 0.23 0.00 0.00 176.35 174.73 1wpv s HIS 4 N 0.98 2.99 0.40 0.29 5.65 0.99 -4.75 115.29 121.84 1wpv s HIS 4 Ca 0.68 1.10 0.20 0.00 0.25 0.00 0.00 55.06 57.29 1wpv s HIS 4 Cb -0.43 -3.46 1.14 0.00 -1.18 0.00 0.00 32.58 28.64 1wpv s HIS 4 CO 0.33 -1.50 1.76 1.57 -0.65 0.00 0.00 174.74 176.24 1wpv h LYS 5 N 7.90 0.35 -0.10 2.88 -0.00 -1.92 0.14 116.57 125.82 1wpv h LYS 5 Ca -0.29 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.34 1wpv h LYS 5 Cb 1.12 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 33.27 1wpv h LYS 5 CO 0.94 0.23 0.00 0.39 -0.00 0.00 0.00 179.45 181.01 1wpv n GLU 6 N -4.64 1.92 -0.73 0.07 1.02 -1.26 -4.25 120.64 112.77 1wpv n GLU 6 Ca 0.26 -1.35 0.06 0.00 -0.02 0.00 0.00 57.16 56.11 1wpv n GLU 6 Cb 0.93 -1.46 0.16 0.00 -0.02 0.00 0.00 31.44 31.06 1wpv n GLU 6 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wpv n ARG 7 N 0.61 1.21 -2.07 3.49 1.74 0.48 -4.99 116.66 117.14 1wpv n ARG 7 Ca 0.17 -2.94 -0.27 0.00 -0.77 0.00 0.00 57.85 54.04 1wpv n ARG 7 Cb 0.43 -1.26 -0.05 0.00 -1.02 0.00 0.00 32.46 30.55 1wpv n ARG 7 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wpv s ARG 8 N -2.50 2.59 0.32 5.56 0.52 -1.18 -4.22 118.95 120.05 1wpv s ARG 8 Ca 0.36 -0.35 0.09 0.00 -0.52 0.00 0.00 55.73 55.32 1wpv s ARG 8 Cb 0.36 -5.08 0.87 0.00 0.52 0.00 0.00 34.95 31.62 1wpv s ARG 8 CO -0.08 -3.35 1.74 0.97 0.02 0.00 0.00 175.30 174.60 1wpv h ILE 9 N 7.21 0.57 0.40 1.52 2.10 -1.92 -0.71 117.51 126.68 1wpv h ILE 9 Ca 0.10 -0.21 -0.02 0.00 1.08 0.00 0.00 64.86 65.82 1wpv h ILE 9 Cb 1.00 -0.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.64 1wpv h ILE 9 CO 1.22 0.11 -0.19 1.23 -1.08 0.00 0.00 178.15 179.44 1wpv h GLY 10 N 0.60 -0.56 0.46 8.18 0.00 -1.97 -1.75 103.07 108.03 1wpv h GLY 10 Ca 0.63 0.21 0.07 0.00 0.00 0.00 0.00 47.33 48.24 1wpv h GLY 10 CO -0.45 -0.20 0.14 -0.09 0.00 0.00 0.00 176.54 175.94 1wpv h ARG 11 N -0.81 0.29 -0.67 4.80 2.43 -1.82 -1.90 114.38 116.69 1wpv h ARG 11 Ca -0.06 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1wpv h ARG 11 Cb 0.54 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1wpv h ARG 11 CO 0.09 0.19 0.40 -0.07 -1.51 0.00 0.00 179.97 179.08 1wpv h LEU 12 N 0.30 0.81 -1.16 3.80 3.38 -1.17 0.03 115.31 121.31 1wpv h LEU 12 Ca 0.24 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1wpv h LEU 12 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1wpv h LEU 12 CO -0.27 0.64 -0.13 0.77 0.09 0.00 0.00 178.44 179.54 1wpv h SER 13 N 0.92 0.42 0.10 -0.43 4.64 -0.87 -1.78 113.55 116.56 1wpv h SER 13 Ca 0.24 -0.10 -0.25 0.00 -0.47 0.00 0.00 61.79 61.20 1wpv h SER 13 Cb -0.02 -0.11 0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1wpv h SER 13 CO -0.04 0.58 -1.01 0.58 -0.87 0.00 0.00 176.83 176.06 1wpv h VAL 14 N 0.41 1.31 -0.60 0.95 2.07 -0.83 -1.92 116.25 117.63 1wpv h VAL 14 Ca 0.08 -2.31 -0.03 0.00 0.82 0.00 0.00 66.70 65.26 1wpv h VAL 14 Cb 0.47 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 1wpv h VAL 14 CO 0.03 0.71 0.26 -0.07 0.02 0.00 0.00 177.57 178.51 1wpv h LEU 15 N 0.35 0.82 -0.51 2.57 3.38 -0.85 0.18 115.31 121.25 1wpv h LEU 15 Ca -0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1wpv h LEU 15 Cb 1.66 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 1wpv h LEU 15 CO 0.19 0.75 0.31 0.25 0.09 0.00 0.00 178.44 180.03 1wpv h LEU 16 N 0.84 0.62 -0.54 1.67 5.85 -1.33 -1.45 115.31 120.96 1wpv h LEU 16 Ca 0.20 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1wpv h LEU 16 Cb 0.17 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1wpv h LEU 16 CO -0.02 0.49 0.21 0.25 -0.34 0.00 0.00 178.44 179.03 1wpv h LEU 17 N 0.69 0.75 -0.25 2.25 5.85 -0.84 -3.18 115.31 120.57 1wpv h LEU 17 Ca 0.18 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1wpv h LEU 17 Cb -0.01 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1wpv h LEU 17 CO -0.03 0.72 -0.23 0.18 -0.34 0.00 0.00 178.44 178.74 1wpv n LEU 18 N -4.51 0.61 -4.29 2.25 4.77 0.57 -4.82 117.00 111.58 1wpv n LEU 18 Ca 0.02 -0.04 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 1wpv n LEU 18 Cb 0.17 -0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 40.92 1wpv n LEU 18 CO 0.38 0.12 -0.33 0.20 -1.33 0.00 0.00 177.39 176.43 1wpv s ASN 19 N -2.64 4.75 -1.18 -1.43 -0.87 -0.56 -5.03 114.94 107.97 1wpv s ASN 19 Ca 0.22 -0.72 -0.21 0.00 -1.57 0.00 0.00 52.86 50.58 1wpv s ASN 19 Cb 0.19 -1.79 0.01 0.00 -0.02 0.00 0.00 41.25 39.64 1wpv s ASN 19 CO 0.54 -0.15 1.77 -1.83 -2.57 0.00 0.00 177.10 174.87 1wpv s GLU 20 N 1.44 3.34 -0.72 -0.60 1.03 -1.26 -4.90 118.70 117.02 1wpv s GLU 20 Ca 0.02 -1.45 -0.10 0.00 0.03 0.00 0.00 54.97 53.48 1wpv s GLU 20 Cb -0.17 -5.38 0.19 0.00 -0.80 0.00 0.00 34.13 27.97 1wpv s GLU 20 CO -0.01 -2.87 0.61 0.00 -1.33 0.00 0.00 175.26 171.66 1wpv s ALA 21 N 6.94 3.84 0.37 -0.84 0.00 -1.26 -4.90 121.76 125.91 1wpv s ALA 21 Ca 0.59 -3.22 0.09 0.00 0.00 0.00 0.00 51.96 49.42 1wpv s ALA 21 Cb 0.01 -3.15 0.83 0.00 0.00 0.00 0.00 23.12 20.81 1wpv s ALA 21 CO 0.06 -2.18 1.91 0.93 0.00 0.00 0.00 175.76 176.47 1wpv h GLU 22 N 7.59 0.65 0.00 0.00 3.07 -2.05 -3.43 114.58 120.40 1wpv h GLU 22 Ca 0.03 -0.04 -0.50 0.00 -0.50 0.00 0.00 59.36 58.35 1wpv h GLU 22 Cb 1.01 -0.15 -0.09 0.00 -0.84 0.00 0.00 28.75 28.68 1wpv h GLU 22 CO 0.76 0.43 -0.36 -0.85 -1.40 0.00 0.00 179.01 177.58 1wpv n GLU 23 N -4.52 1.04 -3.13 2.33 -0.00 -1.26 -4.91 120.64 110.18 1wpv n GLU 23 Ca 0.15 -2.81 -0.17 0.00 -0.00 0.00 0.00 57.16 54.33 1wpv n GLU 23 Cb 0.40 0.80 0.02 0.00 -0.00 0.00 0.00 31.44 32.66 1wpv n GLU 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1wpv n SER 24 N -1.26 -7.05 -4.54 -1.84 2.88 -1.26 -4.71 113.62 95.84 1wpv n SER 24 Ca -0.15 0.15 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1wpv n SER 24 Cb 0.49 -4.10 -0.05 0.00 -0.75 0.00 0.00 64.21 59.79 1wpv n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1wpv n THR 25 N -0.65 0.14 0.17 2.46 -1.04 -1.26 -4.80 114.28 109.30 1wpv n THR 25 Ca 0.01 -0.48 0.02 0.00 -2.04 0.00 0.00 64.05 61.56 1wpv n THR 25 Cb 0.54 -2.26 0.34 0.00 -1.82 0.00 0.00 70.33 67.13 1wpv n THR 25 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1wpv h GLN 26 N 15.61 0.04 -0.45 -2.82 4.20 -1.90 -2.81 115.11 126.98 1wpv h GLN 26 Ca -0.30 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.36 1wpv h GLN 26 Cb 1.28 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 1wpv h GLN 26 CO 1.07 0.41 0.13 0.28 -0.67 0.00 0.00 178.83 180.05 1wpv h VAL 27 N 0.04 1.23 -0.72 -0.54 2.07 -2.00 -1.91 116.25 114.42 1wpv h VAL 27 Ca 0.00 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1wpv h VAL 27 Cb 0.67 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1wpv h VAL 27 CO 0.05 0.27 0.47 -0.33 0.02 0.00 0.00 177.57 178.05 1wpv h GLU 28 N 0.59 0.92 -0.54 1.57 3.07 -1.89 -0.15 114.58 118.15 1wpv h GLU 28 Ca 0.14 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 1wpv h GLU 28 Cb 0.28 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 1wpv h GLU 28 CO -0.00 0.61 0.17 1.05 -1.40 0.00 0.00 179.01 179.43 1wpv h GLU 29 N 0.95 0.84 -0.44 2.33 4.11 -1.40 0.14 114.58 121.10 1wpv h GLU 29 Ca 0.27 -0.18 -0.03 0.00 0.07 0.00 0.00 59.36 59.49 1wpv h GLU 29 Cb -0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1wpv h GLU 29 CO -0.07 0.77 0.17 -0.07 0.07 0.00 0.00 179.01 179.88 1wpv h LEU 30 N 0.75 0.62 -0.94 3.06 3.38 -0.93 -2.20 115.31 119.04 1wpv h LEU 30 Ca 0.17 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1wpv h LEU 30 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1wpv h LEU 30 CO -0.01 0.62 -0.00 -0.33 0.09 0.00 0.00 178.44 178.82 1wpv h GLU 31 N 0.57 0.77 0.00 1.13 5.08 -0.79 -1.58 114.58 119.76 1wpv h GLU 31 Ca 0.15 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1wpv h GLU 31 Cb 0.21 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1wpv h GLU 31 CO -0.01 0.78 -0.09 0.00 -1.00 0.00 0.00 179.01 178.69 1wpv h ARG 32 N 0.72 0.00 -0.11 2.33 3.08 -0.32 -0.95 114.38 119.12 1wpv h ARG 32 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1wpv h ARG 32 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1wpv h ARG 32 CO 0.02 0.09 0.00 -0.25 -1.07 0.00 0.00 179.97 178.76 1wpv n ASP 33 N -3.74 1.50 0.00 7.04 8.00 -0.67 -4.91 116.55 123.77 1wpv n ASP 33 Ca -0.02 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.86 1wpv n ASP 33 Cb 0.19 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1wpv n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wpv n GLY 34 N 1.12 0.37 3.77 0.44 0.00 -0.36 -5.08 105.19 105.45 1wpv n GLY 34 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1wpv n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wpv s TRP 35 N -2.00 3.48 -0.17 1.61 0.52 -0.77 -4.87 118.94 116.74 1wpv s TRP 35 Ca 0.00 1.70 -0.12 0.00 0.02 0.00 0.00 56.10 57.70 1wpv s TRP 35 Cb 0.00 -3.14 -0.05 0.00 -1.15 0.00 0.00 33.47 29.13 1wpv s TRP 35 CO 0.00 -0.41 0.22 0.15 0.02 0.00 0.00 176.95 176.93 1wpv s LYS 36 N -1.99 4.15 0.04 4.98 -0.14 -0.62 -3.83 119.74 122.33 1wpv s LYS 36 Ca 0.51 -0.04 0.06 0.00 -1.36 0.00 0.00 55.97 55.14 1wpv s LYS 36 Cb -0.25 -3.40 -0.02 0.00 -1.68 0.00 0.00 37.83 32.48 1wpv s LYS 36 CO 0.32 0.32 -0.16 0.08 -0.76 0.00 0.00 175.35 175.15 1wpv s VAL 37 N 0.25 1.29 -0.02 3.17 1.01 -1.26 -1.26 120.40 123.59 1wpv s VAL 37 Ca 0.13 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1wpv s VAL 37 Cb -0.12 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1wpv s VAL 37 CO 0.02 0.09 0.02 0.00 0.00 0.00 0.00 175.10 175.23 1wpv s LEU 39 N 0.80 2.28 0.16 0.00 1.43 -1.26 -0.61 118.68 121.47 1wpv s LEU 39 Ca -0.07 -0.62 -0.23 0.00 -1.03 0.00 0.00 54.13 52.17 1wpv s LEU 39 Cb -0.10 -0.62 0.08 0.00 0.03 0.00 0.00 46.19 45.58 1wpv s LEU 39 CO -0.02 -0.03 1.06 -0.83 0.23 0.00 0.00 176.35 176.75 1wpv s GLY 40 N -1.74 0.02 -0.01 -3.19 0.00 -0.41 -4.99 107.32 96.99 1wpv s GLY 40 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.48 1wpv s GLY 40 CO 0.03 2.20 0.10 0.54 0.00 0.00 0.00 173.10 175.97 1wpv s LYS 41 N -2.33 0.32 -0.21 2.90 1.02 -1.26 -0.24 119.74 119.94 1wpv s LYS 41 Ca 0.21 -0.22 -0.17 0.00 0.02 0.00 0.00 55.97 55.81 1wpv s LYS 41 Cb -0.02 0.13 0.06 0.00 -0.52 0.00 0.00 37.83 37.48 1wpv s LYS 41 CO 0.04 -0.07 0.54 0.54 -0.92 0.00 0.00 175.35 175.48 1wpv s VAL 42 N -0.85 -0.01 -0.09 3.17 0.11 0.09 -4.99 120.40 117.83 1wpv s VAL 42 Ca -0.09 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.00 1wpv s VAL 42 Cb -0.05 -0.76 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1wpv s VAL 42 CO 0.01 0.01 -0.17 -0.83 -3.33 0.00 0.00 175.10 170.79 1wpv s GLY 43 N 0.70 1.03 -0.07 6.54 0.00 -1.26 -0.53 107.32 113.72 1wpv s GLY 43 Ca -0.03 -0.67 -0.31 0.00 0.00 0.00 0.00 44.72 43.70 1wpv s GLY 43 CO -0.05 0.02 1.07 -0.45 0.00 0.00 0.00 173.10 173.70 1wpv s SER 44 N 0.67 -0.22 0.00 1.64 0.15 -0.44 -4.98 113.70 110.52 1wpv s SER 44 Ca -0.13 -0.05 0.16 0.00 0.70 0.00 0.00 55.95 56.63 1wpv s SER 44 Cb -0.16 0.27 0.43 0.00 -1.71 0.00 0.00 66.02 64.84 1wpv s SER 44 CO 0.04 -0.45 1.35 1.15 1.20 0.00 0.00 173.24 176.53 1wpv n MET 45 N -0.22 2.67 -4.06 5.44 0.00 -1.26 -1.68 117.12 118.00 1wpv n MET 45 Ca -0.05 -2.25 -0.33 0.00 0.00 0.00 0.00 57.70 55.08 1wpv n MET 45 Cb 0.60 -1.40 -0.15 0.00 0.00 0.00 0.00 33.22 32.28 1wpv n MET 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1wpv s ASP 46 N -1.04 4.23 0.49 3.17 1.01 -1.26 -0.06 116.67 123.20 1wpv s ASP 46 Ca 0.33 -1.21 0.15 0.00 0.71 0.00 0.00 52.55 52.53 1wpv s ASP 46 Cb 0.18 -1.56 1.16 0.00 1.01 0.00 0.00 42.92 43.71 1wpv s ASP 46 CO 0.23 -0.16 2.09 0.00 0.21 0.00 0.00 175.17 177.55 1wpv h ALA 47 N 7.84 1.99 0.00 5.23 0.00 -1.92 -1.42 119.26 130.98 1wpv h ALA 47 Ca -0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1wpv h ALA 47 Cb 1.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1wpv h ALA 47 CO 0.51 -0.03 -0.20 1.12 0.00 0.00 0.00 179.25 180.65 1wpv h HIS 48 N 0.17 0.00 0.00 0.00 2.07 -1.98 -0.72 115.15 114.70 1wpv h HIS 48 Ca 0.09 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.43 1wpv h HIS 48 Cb 0.16 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.13 1wpv h HIS 48 CO -0.00 0.20 -0.86 0.87 -3.07 0.00 0.00 177.93 175.07 1wpv h LYS 49 N 0.00 0.10 0.06 5.12 1.57 -1.68 -0.11 116.57 121.63 1wpv h LYS 49 Ca -0.00 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1wpv h LYS 49 Cb 0.47 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1wpv h LYS 49 CO 0.03 0.90 -0.03 0.28 -0.57 0.00 0.00 179.45 180.05 1wpv h VAL 50 N 0.06 1.20 -0.53 0.50 2.07 -1.27 -0.17 116.25 118.11 1wpv h VAL 50 Ca -0.03 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.61 1wpv h VAL 50 Cb 1.49 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 1wpv h VAL 50 CO 0.12 0.23 0.30 0.40 0.02 0.00 0.00 177.57 178.64 1wpv h ILE 51 N -0.49 1.02 -0.77 4.57 2.04 -1.14 -1.71 117.51 121.03 1wpv h ILE 51 Ca -0.01 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1wpv h ILE 51 Cb 0.43 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1wpv h ILE 51 CO 0.01 0.11 0.36 0.00 0.00 0.00 0.00 178.15 178.63 1wpv h ALA 52 N 1.25 0.99 -0.60 1.87 0.00 -0.97 -1.37 119.26 120.44 1wpv h ALA 52 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1wpv h ALA 52 Cb 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1wpv h ALA 52 CO -0.12 0.56 0.31 0.00 0.00 0.00 0.00 179.25 180.00 1wpv h ALA 53 N 1.19 0.77 -0.43 0.00 0.00 -0.57 -0.35 119.26 119.87 1wpv h ALA 53 Ca 0.26 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1wpv h ALA 53 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1wpv h ALA 53 CO -0.03 0.30 -0.00 0.82 0.00 0.00 0.00 179.25 180.34 1wpv h ILE 54 N 0.81 1.26 -0.13 0.00 2.04 -1.06 -1.51 117.51 118.93 1wpv h ILE 54 Ca 0.21 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1wpv h ILE 54 Cb 0.07 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1wpv h ILE 54 CO -0.03 0.35 0.02 -0.08 0.00 0.00 0.00 178.15 178.42 1wpv h GLU 55 N 0.59 0.21 -0.25 2.37 4.81 -1.02 -0.62 114.58 120.67 1wpv h GLU 55 Ca 0.12 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1wpv h GLU 55 Cb 0.49 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1wpv h GLU 55 CO 0.02 0.39 0.16 1.15 -0.73 0.00 0.00 179.01 180.01 1wpv h THR 56 N -0.00 1.06 -0.75 0.32 2.02 -1.06 -1.07 112.91 113.44 1wpv h THR 56 Ca 0.04 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1wpv h THR 56 Cb 0.28 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1wpv h THR 56 CO 0.00 0.06 0.29 0.00 0.37 0.00 0.00 175.52 176.25 1wpv h ALA 57 N 1.10 0.97 -0.48 6.16 0.00 -1.23 -0.24 119.26 125.54 1wpv h ALA 57 Ca 0.09 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1wpv h ALA 57 Cb -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1wpv h ALA 57 CO -0.03 0.60 -0.02 0.77 0.00 0.00 0.00 179.25 180.58 1wpv h SER 58 N 1.08 0.78 0.07 0.00 0.02 -0.79 -1.26 113.55 113.45 1wpv h SER 58 Ca 0.25 -0.20 -0.26 0.00 -0.84 0.00 0.00 61.79 60.74 1wpv h SER 58 Cb 0.22 -0.21 0.02 0.00 0.14 0.00 0.00 62.40 62.57 1wpv h SER 58 CO -0.02 0.86 -1.04 0.11 -1.14 0.00 0.00 176.83 175.60 1wpv h LYS 59 N 0.75 0.65 -0.65 3.45 1.57 -0.98 0.90 116.57 122.26 1wpv h LYS 59 Ca 0.14 -0.70 -0.05 0.00 -1.87 0.00 0.00 60.65 58.17 1wpv h LYS 59 Cb 0.48 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1wpv h LYS 59 CO 0.02 1.29 0.23 -0.22 -0.57 0.00 0.00 179.45 180.20 1wpv h LYS 60 N 0.36 1.00 0.00 3.15 3.64 -0.92 -2.24 116.57 121.56 1wpv h LYS 60 Ca -0.12 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1wpv h LYS 60 Cb 1.69 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1wpv h LYS 60 CO 0.20 0.86 0.00 -1.13 -2.27 0.00 0.00 179.45 177.10 1wpv n SER 61 N -4.38 0.00 -0.43 4.20 3.41 -0.49 -4.91 113.62 111.03 1wpv n SER 61 Ca 0.04 -0.39 -0.05 0.00 -0.26 0.00 0.00 58.87 58.21 1wpv n SER 61 Cb 0.20 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1wpv n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wpv n GLY 62 N 1.12 0.79 0.14 5.00 0.00 -0.84 -4.91 105.19 106.49 1wpv n GLY 62 Ca 0.17 -0.81 -0.04 0.00 0.00 0.00 0.00 46.02 45.34 1wpv n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wpv h VAL 63 N 0.00 1.45 -3.90 1.61 2.07 -1.08 -3.44 116.25 112.96 1wpv h VAL 63 Ca -0.11 -2.23 -0.26 0.00 0.82 0.00 0.00 66.70 64.92 1wpv h VAL 63 Cb 0.37 2.19 -0.19 0.00 -1.52 0.00 0.00 31.29 32.14 1wpv h VAL 63 CO 0.16 0.64 -0.72 0.27 0.02 0.00 0.00 177.57 177.95 1wpv s ILE 64 N -3.54 0.63 0.41 4.57 -4.36 -1.15 -4.91 121.20 112.84 1wpv s ILE 64 Ca -0.02 -1.43 -0.26 0.00 -0.26 0.00 0.00 60.65 58.68 1wpv s ILE 64 Cb 0.12 -1.05 -0.09 0.00 1.25 0.00 0.00 42.46 42.69 1wpv s ILE 64 CO 0.79 -0.57 1.40 -1.10 0.24 0.00 0.00 174.94 175.69 1wpv s GLN 65 N -2.48 3.91 0.09 0.37 -0.21 -1.26 -4.43 119.66 115.65 1wpv s GLN 65 Ca -0.01 2.36 0.02 0.00 0.02 0.00 0.00 55.36 57.75 1wpv s GLN 65 Cb -0.04 -2.78 -0.24 0.00 1.00 0.00 0.00 33.01 30.94 1wpv s GLN 65 CO -0.02 -0.62 1.19 0.66 -2.12 0.00 0.00 175.29 174.38 1wpv h SER 66 N 2.65 0.19 -2.78 5.90 4.64 -1.96 -3.43 113.55 118.75 1wpv h SER 66 Ca -0.50 -0.21 -0.47 0.00 -0.47 0.00 0.00 61.79 60.13 1wpv h SER 66 Cb 1.25 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1wpv h SER 66 CO 0.62 1.17 -0.19 -1.83 -0.87 0.00 0.00 176.83 175.73 1wpv s GLU 67 N -2.68 3.47 0.00 4.77 -1.05 -1.26 -4.99 118.70 116.96 1wpv s GLU 67 Ca -0.02 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 1wpv s GLU 67 Cb 0.09 -2.66 0.00 0.00 -0.44 0.00 0.00 34.13 31.11 1wpv s GLU 67 CO 0.85 0.14 0.00 0.41 0.95 0.00 0.00 175.26 177.61 1wpv n GLY 68 N -1.79 -1.41 0.21 -3.83 0.00 -1.26 -4.87 105.19 92.24 1wpv n GLY 68 Ca -0.05 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 1wpv n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wpv n TYR 69 N -1.60 0.00 -0.27 1.61 9.36 -1.26 -4.66 117.16 120.35 1wpv n TYR 69 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1wpv n TYR 69 Cb 0.00 -0.51 -0.04 0.00 -0.63 0.00 0.00 39.34 38.16 1wpv n TYR 69 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1wpv n ARG 70 N -3.11 -0.25 0.06 2.98 0.63 -1.26 -0.11 116.66 115.61 1wpv n ARG 70 Ca -0.25 1.00 -0.05 0.00 -0.92 0.00 0.00 57.85 57.62 1wpv n ARG 70 Cb 0.74 -1.47 0.14 0.00 0.45 0.00 0.00 32.46 32.32 1wpv n ARG 70 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wpv h GLU 71 N 0.00 0.35 -0.24 -0.14 5.08 -1.89 -1.80 114.58 115.94 1wpv h GLU 71 Ca 0.14 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1wpv h GLU 71 Cb 0.31 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1wpv h GLU 71 CO -0.63 0.78 -0.26 0.77 -1.00 0.00 0.00 179.01 178.67 1wpv h SER 72 N 0.28 0.46 -0.20 1.42 0.02 -1.07 -1.28 113.55 113.18 1wpv h SER 72 Ca 0.01 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1wpv h SER 72 Cb 0.99 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1wpv h SER 72 CO 0.08 0.72 0.05 -0.74 -1.14 0.00 0.00 176.83 175.81 1wpv h HIS 73 N 0.41 0.33 -0.67 3.45 -0.00 -0.08 0.40 115.15 118.99 1wpv h HIS 73 Ca 0.06 -0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1wpv h HIS 73 Cb 0.67 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.95 1wpv h HIS 73 CO 0.02 0.42 0.43 0.00 -0.00 0.00 0.00 177.93 178.80 1wpv h ALA 74 N 0.87 0.87 -0.46 5.26 0.00 -1.08 -2.40 119.26 122.32 1wpv h ALA 74 Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1wpv h ALA 74 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1wpv h ALA 74 CO -0.00 0.21 -0.06 1.25 0.00 0.00 0.00 179.25 180.65 1wpv h LEU 75 N 0.85 0.84 -0.33 0.00 5.85 -1.02 -2.31 115.31 119.20 1wpv h LEU 75 Ca 0.26 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1wpv h LEU 75 Cb -0.02 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1wpv h LEU 75 CO -0.09 0.99 0.14 0.22 -0.34 0.00 0.00 178.44 179.36 1wpv h TYR 76 N 0.69 0.26 -0.28 1.25 3.20 -0.68 -0.21 116.97 121.21 1wpv h TYR 76 Ca 0.12 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.90 1wpv h TYR 76 Cb 0.59 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1wpv h TYR 76 CO 0.05 0.13 -0.29 0.45 -1.64 0.00 0.00 178.16 176.86 1wpv h HIS 77 N 0.31 0.64 -0.46 -3.82 3.86 -1.38 -0.75 115.15 113.55 1wpv h HIS 77 Ca 0.14 -0.15 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 1wpv h HIS 77 Cb 0.07 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1wpv h HIS 77 CO -0.11 0.79 -0.05 0.00 0.86 0.00 0.00 177.93 179.42 1wpv h ALA 78 N 1.20 1.04 -0.51 2.45 0.00 -1.10 -0.94 119.26 121.40 1wpv h ALA 78 Ca 0.06 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1wpv h ALA 78 Cb 0.75 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1wpv h ALA 78 CO 0.06 0.59 0.11 1.15 0.00 0.00 0.00 179.25 181.16 1wpv h THR 79 N 0.73 1.24 -0.54 0.00 2.02 -0.60 -1.44 112.91 114.32 1wpv h THR 79 Ca 0.13 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.44 1wpv h THR 79 Cb 0.52 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1wpv h THR 79 CO 0.03 0.32 0.36 0.24 0.37 0.00 0.00 175.52 176.83 1wpv h MET 80 N 0.71 0.71 -0.80 6.66 2.86 -0.71 -0.35 114.93 124.01 1wpv h MET 80 Ca 0.16 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1wpv h MET 80 Cb 0.35 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1wpv h MET 80 CO 0.00 0.47 0.44 0.93 1.06 0.00 0.00 176.91 179.81 1wpv h GLU 81 N 0.73 1.12 -0.71 1.72 5.08 -0.92 -2.12 114.58 119.48 1wpv h GLU 81 Ca 0.20 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1wpv h GLU 81 Cb -0.08 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 28.93 1wpv h GLU 81 CO -0.05 0.83 0.26 0.00 -1.00 0.00 0.00 179.01 179.05 1wpv h ALA 82 N 1.23 0.93 0.00 3.43 0.00 -0.75 -2.39 119.26 121.71 1wpv h ALA 82 Ca 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wpv h ALA 82 Cb 0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1wpv h ALA 82 CO -0.04 0.58 -0.05 -0.07 0.00 0.00 0.00 179.25 179.67 1wpv h LEU 83 N 1.04 0.00 -0.90 0.00 3.38 -0.43 -2.32 115.31 116.07 1wpv h LEU 83 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1wpv h LEU 83 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1wpv h LEU 83 CO -0.01 0.05 0.51 0.45 0.09 0.00 0.00 178.44 179.52 1wpv h HIS 84 N 0.00 1.23 -0.15 1.13 3.86 -0.93 0.12 115.15 120.41 1wpv h HIS 84 Ca -0.00 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.09 1wpv h HIS 84 Cb 0.12 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 1wpv h HIS 84 CO 0.00 0.84 -0.32 0.78 0.86 0.00 0.00 177.93 180.08 1wpv h GLY 85 N 1.26 0.33 0.78 2.45 0.00 -1.50 0.15 103.07 106.53 1wpv h GLY 85 Ca 0.32 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 1wpv h GLY 85 CO -0.05 0.26 -0.50 -2.08 0.00 0.00 0.00 176.54 174.16 1wpv h VAL 86 N 0.26 1.41 0.00 4.60 2.07 -0.73 -3.36 116.25 120.52 1wpv h VAL 86 Ca 0.03 -1.93 -0.08 0.00 0.82 0.00 0.00 66.70 65.55 1wpv h VAL 86 Cb 0.71 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1wpv h VAL 86 CO 0.05 0.56 -0.99 0.71 0.02 0.00 0.00 177.57 177.93 1wpv h THR 87 N -0.07 0.30 -6.40 2.57 1.35 -0.76 -3.46 112.91 106.45 1wpv h THR 87 Ca -0.05 -1.54 -0.47 0.00 -0.55 0.00 0.00 66.41 63.80 1wpv h THR 87 Cb 1.18 1.88 0.06 0.00 -1.73 0.00 0.00 68.15 69.54 1wpv h THR 87 CO 0.10 0.17 -0.95 0.54 -0.25 0.00 0.00 175.52 175.14 1wpv n ARG 88 N -2.88 -0.98 0.00 4.72 1.74 0.50 -3.87 116.66 115.90 1wpv n ARG 88 Ca -0.03 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1wpv n ARG 88 Cb 0.68 -3.69 0.00 0.00 -1.02 0.00 0.00 32.46 28.43 1wpv n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wpv n GLY 89 N -1.78 3.12 3.05 -0.13 0.00 -1.26 -5.04 105.19 103.14 1wpv n GLY 89 Ca -0.10 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 1wpv n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wpv s GLU 90 N 0.00 2.41 -1.29 1.61 0.41 -1.25 -5.01 118.70 115.58 1wpv s GLU 90 Ca 0.00 -0.84 -0.08 0.00 -0.41 0.00 0.00 54.97 53.64 1wpv s GLU 90 Cb 0.00 -2.45 -0.09 0.00 -1.78 0.00 0.00 34.13 29.81 1wpv s GLU 90 CO 0.00 -0.34 2.74 -0.12 -0.49 0.00 0.00 175.26 177.06 1wpv n MET 91 N 4.65 3.08 -4.39 1.61 1.56 -1.26 -4.76 117.12 117.60 1wpv n MET 91 Ca -0.17 -1.87 -0.19 0.00 -0.27 0.00 0.00 57.70 55.20 1wpv n MET 91 Cb 0.48 -2.63 -0.14 0.00 2.15 0.00 0.00 33.22 33.08 1wpv n MET 91 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wpv s LEU 92 N 0.13 2.07 0.00 -0.89 1.43 -1.26 -4.95 118.68 115.21 1wpv s LEU 92 Ca 0.60 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1wpv s LEU 92 Cb 0.17 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.86 1wpv s LEU 92 CO -0.05 0.08 0.00 0.18 0.23 0.00 0.00 176.35 176.79 1wpv n LEU 93 N 2.51 0.00 -0.28 1.79 4.77 -1.26 -4.73 117.00 119.79 1wpv n LEU 93 Ca -0.15 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.91 1wpv n LEU 93 Cb 0.56 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.96 1wpv n LEU 93 CO 0.24 0.00 1.23 1.23 -1.33 0.00 0.00 177.39 178.76 1wpv h GLY 94 N 0.00 1.29 2.00 -0.72 0.00 0.11 -0.37 103.07 105.38 1wpv h GLY 94 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1wpv h GLY 94 CO 0.00 0.17 0.00 1.48 0.00 0.00 0.00 176.54 178.19 1wpv h SER 95 N 0.84 0.00 -0.23 0.19 4.64 -1.86 -0.10 113.55 117.02 1wpv h SER 95 Ca 0.43 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.70 1wpv h SER 95 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1wpv h SER 95 CO -0.19 0.00 -0.04 0.18 -0.87 0.00 0.00 176.83 175.91 1wpv n LEU 96 N -2.29 3.64 -3.41 5.97 4.77 -0.24 -4.97 117.00 120.46 1wpv n LEU 96 Ca 0.00 -3.28 -0.24 0.00 -0.03 0.00 0.00 56.01 52.46 1wpv n LEU 96 Cb 0.13 -0.55 0.05 0.00 -2.33 0.00 0.00 43.42 40.72 1wpv n LEU 96 CO 0.15 0.87 0.11 -0.11 -1.33 0.00 0.00 177.39 177.08 1wpv n LEU 97 N -0.88 -2.83 -4.16 2.23 7.94 -0.05 -5.00 117.00 114.24 1wpv n LEU 97 Ca 0.24 -0.47 -0.12 0.00 -1.11 0.00 0.00 56.01 54.55 1wpv n LEU 97 Cb 0.88 -2.86 -0.10 0.00 0.53 0.00 0.00 43.42 41.87 1wpv n LEU 97 CO 0.13 0.42 -0.39 0.00 -1.11 0.00 0.00 177.39 176.44 1wpv s ARG 98 N -6.11 0.80 0.05 1.96 1.70 -0.62 -4.27 118.95 112.46 1wpv s ARG 98 Ca 0.48 -1.22 0.01 0.00 -0.47 0.00 0.00 55.73 54.53 1wpv s ARG 98 Cb -0.22 -0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 33.83 1wpv s ARG 98 CO 0.59 0.02 -0.05 -0.08 -1.08 0.00 0.00 175.30 174.70 1wpv s THR 99 N -3.05 0.40 0.16 4.99 -1.32 0.30 -2.07 115.64 115.05 1wpv s THR 99 Ca 0.08 -1.49 0.11 0.00 -1.21 0.00 0.00 61.69 59.18 1wpv s THR 99 Cb 0.01 -1.09 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 1wpv s THR 99 CO -0.03 -0.72 -0.25 0.68 -2.21 0.00 0.00 174.62 172.09 1wpv s VAL 100 N -2.74 2.26 -0.29 5.08 -7.23 -0.68 -1.61 120.40 115.19 1wpv s VAL 100 Ca -0.00 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 1wpv s VAL 100 Cb -0.01 -2.03 0.08 0.00 0.56 0.00 0.00 36.38 34.99 1wpv s VAL 100 CO -0.04 -0.02 0.02 -0.83 -0.31 0.00 0.00 175.10 173.92 1wpv s GLY 101 N -2.34 1.39 0.16 2.32 0.00 -0.45 -1.33 107.32 107.07 1wpv s GLY 101 Ca 0.17 -1.77 0.10 0.00 0.00 0.00 0.00 44.72 43.22 1wpv s GLY 101 CO 0.08 1.16 -0.23 1.08 0.00 0.00 0.00 173.10 175.18 1wpv s LEU 102 N 1.34 2.39 -0.04 0.66 1.43 0.31 -1.15 118.68 123.60 1wpv s LEU 102 Ca 0.04 -0.81 0.06 0.00 -1.03 0.00 0.00 54.13 52.39 1wpv s LEU 102 Cb -0.18 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 1wpv s LEU 102 CO -0.13 0.10 -0.22 -0.60 0.23 0.00 0.00 176.35 175.73 1wpv s ARG 103 N -2.42 2.40 0.09 1.70 3.52 0.15 -0.73 118.95 123.65 1wpv s ARG 103 Ca 0.16 -0.85 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 1wpv s ARG 103 Cb -0.08 -2.19 -0.03 0.00 -1.56 0.00 0.00 34.95 31.08 1wpv s ARG 103 CO 0.07 0.51 -0.10 -0.59 -0.81 0.00 0.00 175.30 174.39 1wpv s PHE 104 N -0.47 1.01 -0.00 5.12 -0.12 0.66 -1.65 117.98 122.52 1wpv s PHE 104 Ca 0.06 -0.63 0.01 0.00 -0.05 0.00 0.00 56.93 56.32 1wpv s PHE 104 Cb -0.11 -0.56 -0.00 0.00 -0.63 0.00 0.00 43.02 41.71 1wpv s PHE 104 CO 0.01 -0.02 -0.05 0.00 -0.05 0.00 0.00 175.22 175.12 1wpv s ALA 105 N -2.28 0.40 -0.12 1.99 0.00 -0.43 -1.29 121.76 120.03 1wpv s ALA 105 Ca 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 1wpv s ALA 105 Cb -0.04 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1wpv s ALA 105 CO -0.00 0.09 -0.08 0.08 0.00 0.00 0.00 175.76 175.86 1wpv s VAL 106 N -0.09 1.08 -0.04 0.00 1.01 0.22 -0.82 120.40 121.75 1wpv s VAL 106 Ca 0.02 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1wpv s VAL 106 Cb -0.02 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1wpv s VAL 106 CO -0.00 0.33 -0.18 -0.76 0.00 0.00 0.00 175.10 174.49 1wpv s LEU 107 N 1.68 2.54 -0.07 3.92 1.02 -0.40 -1.28 118.68 126.09 1wpv s LEU 107 Ca 0.04 -0.27 0.01 0.00 0.02 0.00 0.00 54.13 53.93 1wpv s LEU 107 Cb -0.13 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.61 1wpv s LEU 107 CO -0.08 0.34 -0.07 -0.60 0.02 0.00 0.00 176.35 175.95 1wpv s ARG 108 N -0.69 1.28 0.00 1.70 3.52 -0.39 -0.78 118.95 123.59 1wpv s ARG 108 Ca 0.11 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 1wpv s ARG 108 Cb -0.10 -1.24 0.00 0.00 -1.56 0.00 0.00 34.95 32.05 1wpv s ARG 108 CO 0.00 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.78 1wpv n GLY 109 N 4.32 -1.60 3.47 8.12 0.00 -0.43 -1.58 105.19 117.49 1wpv n GLY 109 Ca -0.19 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 1wpv n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wpv s ASN 110 N -0.55 6.11 0.00 1.61 3.84 -1.26 -0.14 114.94 124.56 1wpv s ASN 110 Ca 0.00 -0.81 0.27 0.00 0.21 0.00 0.00 52.86 52.53 1wpv s ASN 110 Cb 0.00 -2.16 1.18 0.00 -0.55 0.00 0.00 41.25 39.72 1wpv s ASN 110 CO 0.00 -0.42 1.81 -0.81 -2.79 0.00 0.00 177.10 174.89 1wpv n PRO 111 N 5.17 1.50 -3.77 0.43 -0.04 -1.26 -4.93 135.00 132.10 1wpv n PRO 111 Ca -0.11 -0.73 -0.23 0.00 -0.04 0.00 0.00 63.50 62.39 1wpv n PRO 111 Cb 0.47 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1wpv n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wpv s TYR 112 N -1.96 3.47 0.34 0.54 1.51 -1.26 -0.01 117.35 119.98 1wpv s TYR 112 Ca 0.38 0.13 0.10 0.00 -1.01 0.00 0.00 57.07 56.67 1wpv s TYR 112 Cb 0.20 -1.70 0.61 0.00 -0.11 0.00 0.00 41.96 40.96 1wpv s TYR 112 CO 0.32 0.35 1.78 0.93 -1.11 0.00 0.00 175.55 177.82 1wpv h GLU 113 N 1.23 0.12 -5.84 -0.62 5.08 -1.52 -3.42 114.58 109.61 1wpv h GLU 113 Ca -0.51 -0.05 -0.58 0.00 -1.00 0.00 0.00 59.36 57.22 1wpv h GLU 113 Cb 1.22 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 1wpv h GLU 113 CO 0.62 0.48 0.30 0.45 -1.00 0.00 0.00 179.01 179.87 1wpv s SER 114 N -6.90 6.86 0.52 1.42 0.15 -1.26 -4.93 113.70 109.56 1wpv s SER 114 Ca -0.04 1.05 0.30 0.00 0.70 0.00 0.00 55.95 57.96 1wpv s SER 114 Cb 0.14 -2.42 1.36 0.00 -1.71 0.00 0.00 66.02 63.40 1wpv s SER 114 CO 0.75 -0.36 2.00 1.05 1.20 0.00 0.00 173.24 177.88 1wpv h GLU 115 N 7.40 0.00 0.00 5.44 9.09 -1.98 -2.59 114.58 131.94 1wpv h GLU 115 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.11 1wpv h GLU 115 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1wpv h GLU 115 CO 0.82 0.11 0.00 0.00 0.05 0.00 0.00 179.01 179.99 1wpv h ALA 116 N 1.89 1.00 0.00 1.06 0.00 -1.96 -2.37 119.26 118.88 1wpv h ALA 116 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1wpv h ALA 116 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wpv h ALA 116 CO 0.01 0.00 -0.20 0.93 0.00 0.00 0.00 179.25 180.00 1wpv h GLU 117 N 0.00 0.00 0.00 0.00 4.39 -1.86 -3.48 114.58 113.63 1wpv h GLU 117 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wpv h GLU 117 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1wpv h GLU 117 CO 0.00 0.20 0.00 0.41 -1.16 0.00 0.00 179.01 178.46 1wpv n GLY 118 N -0.41 -0.57 3.77 -3.84 0.00 -0.89 -4.86 105.19 98.39 1wpv n GLY 118 Ca -0.01 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 1wpv n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wpv s ASP 119 N -4.00 7.24 0.21 1.61 1.01 -1.26 -4.04 116.67 117.44 1wpv s ASP 119 Ca 0.00 1.96 0.04 0.00 0.71 0.00 0.00 52.55 55.25 1wpv s ASP 119 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1wpv s ASP 119 CO 0.00 -0.14 -0.02 0.26 0.21 0.00 0.00 175.17 175.47 1wpv s TRP 120 N -1.51 1.46 0.03 4.23 0.52 0.81 -1.01 118.94 123.47 1wpv s TRP 120 Ca 0.50 -0.90 0.02 0.00 0.02 0.00 0.00 56.10 55.74 1wpv s TRP 120 Cb -0.22 -0.82 -0.02 0.00 -1.15 0.00 0.00 33.47 31.26 1wpv s TRP 120 CO 0.28 -0.03 -0.07 -1.50 0.02 0.00 0.00 176.95 175.65 1wpv s ILE 121 N -3.42 0.49 -0.06 2.03 2.07 0.17 -1.31 121.20 121.18 1wpv s ILE 121 Ca 0.25 -0.81 0.03 0.00 -1.41 0.00 0.00 60.65 58.71 1wpv s ILE 121 Cb 0.05 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 42.13 1wpv s ILE 121 CO 0.06 -0.23 -0.13 0.00 -1.91 0.00 0.00 174.94 172.74 1wpv s ALA 122 N -1.00 1.27 -0.20 1.50 0.00 0.04 -0.97 121.76 122.40 1wpv s ALA 122 Ca -0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 1wpv s ALA 122 Cb -0.08 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 1wpv s ALA 122 CO 0.00 0.14 -0.09 0.08 0.00 0.00 0.00 175.76 175.89 1wpv s VAL 123 N 0.53 3.06 -0.00 0.00 1.01 0.52 -1.28 120.40 124.23 1wpv s VAL 123 Ca -0.12 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1wpv s VAL 123 Cb -0.15 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1wpv s VAL 123 CO 0.03 0.46 -0.22 -0.44 0.00 0.00 0.00 175.10 174.93 1wpv s SER 124 N 1.23 2.64 -0.01 3.32 0.01 -0.00 -0.49 113.70 120.40 1wpv s SER 124 Ca 0.03 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 56.89 1wpv s SER 124 Cb -0.14 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.80 1wpv s SER 124 CO -0.04 0.25 -0.12 -0.76 0.41 0.00 0.00 173.24 172.99 1wpv s LEU 125 N -0.69 2.02 -0.16 2.44 1.43 0.85 -1.31 118.68 123.26 1wpv s LEU 125 Ca 0.09 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 1wpv s LEU 125 Cb -0.09 -0.62 0.04 0.00 0.03 0.00 0.00 46.19 45.55 1wpv s LEU 125 CO -0.00 0.15 0.42 -0.47 0.23 0.00 0.00 176.35 176.67 1wpv s TYR 126 N -0.27 -0.48 -0.27 0.29 5.04 -0.66 -1.63 117.35 119.37 1wpv s TYR 126 Ca 0.04 1.14 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 1wpv s TYR 126 Cb -0.05 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.43 1wpv s TYR 126 CO -0.00 -0.24 0.00 0.41 -1.34 0.00 0.00 175.55 174.38 1wpv n GLY 127 N 3.06 -0.72 3.37 8.97 0.00 -0.83 -0.68 105.19 118.36 1wpv n GLY 127 Ca -0.15 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 1wpv n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wpv s THR 128 N -4.00 1.90 -0.01 2.61 -4.23 -0.30 -0.73 115.64 110.88 1wpv s THR 128 Ca 0.00 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1wpv s THR 128 Cb 0.00 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.82 1wpv s THR 128 CO 0.00 -0.47 -0.01 -0.51 -0.54 0.00 0.00 174.62 173.09 1wpv s ILE 129 N -2.60 0.12 0.00 2.99 2.07 -0.05 -1.34 121.20 122.39 1wpv s ILE 129 Ca 0.22 -0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.46 1wpv s ILE 129 Cb -0.03 -0.15 0.00 0.00 0.13 0.00 0.00 42.46 42.41 1wpv s ILE 129 CO 0.08 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.79 1wpv n GLY 130 N 3.42 0.55 3.77 1.50 0.00 -0.63 -1.73 105.19 112.07 1wpv n GLY 130 Ca -0.18 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 1wpv n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpv s ALA 131 N -1.00 2.28 0.34 4.61 0.00 0.05 -0.54 121.76 127.50 1wpv s ALA 131 Ca 0.00 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.36 1wpv s ALA 131 Cb 0.00 -3.29 0.68 0.00 0.00 0.00 0.00 23.12 20.51 1wpv s ALA 131 CO 0.00 -1.68 1.91 -1.35 0.00 0.00 0.00 175.76 174.65 1wpv h PRO 132 N -0.86 0.82 -6.42 0.00 0.11 -1.89 -3.40 132.00 120.36 1wpv h PRO 132 Ca -0.44 -0.05 -0.54 0.00 0.11 0.00 0.00 66.00 65.08 1wpv h PRO 132 Cb 1.24 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1wpv h PRO 132 CO 0.52 0.54 0.69 0.42 -0.21 0.00 0.00 178.00 179.96 1wpv s ILE 133 N -5.77 3.89 0.31 4.15 1.01 -1.26 -4.97 121.20 118.57 1wpv s ILE 133 Ca -0.10 1.31 -0.29 0.00 0.00 0.00 0.00 60.65 61.57 1wpv s ILE 133 Cb 0.20 -3.84 -0.10 0.00 0.01 0.00 0.00 42.46 38.73 1wpv s ILE 133 CO 0.79 0.05 1.25 -0.54 0.00 0.00 0.00 174.94 176.49 1wpv s LYS 134 N 1.69 4.43 0.00 2.79 -0.14 -1.26 -3.25 119.74 123.99 1wpv s LYS 134 Ca 0.60 2.10 0.00 0.00 -1.36 0.00 0.00 55.97 57.32 1wpv s LYS 134 Cb -0.30 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 1wpv s LYS 134 CO 0.27 -0.09 0.00 0.41 -0.76 0.00 0.00 175.35 175.18 1wpv n GLY 135 N 0.97 1.77 3.38 -3.33 0.00 -1.26 -4.99 105.19 101.74 1wpv n GLY 135 Ca -0.00 -0.28 -0.44 0.00 0.00 0.00 0.00 46.02 45.30 1wpv n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wpv n LEU 136 N 0.00 5.42 -3.69 0.99 4.77 -1.20 -4.93 117.00 118.36 1wpv n LEU 136 Ca 0.00 -4.57 -0.06 0.00 -0.03 0.00 0.00 56.01 51.35 1wpv n LEU 136 Cb 0.00 -1.58 -0.02 0.00 -2.33 0.00 0.00 43.42 39.49 1wpv n LEU 136 CO 0.00 0.89 0.63 -1.83 -1.33 0.00 0.00 177.39 175.76 1wpv s GLU 137 N 0.98 1.25 0.27 3.23 -1.05 -1.26 -0.77 118.70 121.35 1wpv s GLU 137 Ca 0.41 -0.64 0.03 0.00 -0.15 0.00 0.00 54.97 54.62 1wpv s GLU 137 Cb -0.02 0.46 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 1wpv s GLU 137 CO -0.01 -0.57 0.23 -3.38 0.95 0.00 0.00 175.26 172.49 1wpv s HIS 138 N -3.42 1.43 0.75 4.83 -3.43 -0.70 -4.97 115.29 109.77 1wpv s HIS 138 Ca 0.09 -1.50 -0.11 0.00 -0.80 0.00 0.00 55.06 52.75 1wpv s HIS 138 Cb -0.02 -0.59 0.04 0.00 -1.43 0.00 0.00 32.58 30.58 1wpv s HIS 138 CO -0.00 -0.79 1.09 -1.21 -2.00 0.00 0.00 174.74 171.82 1wpv s GLU 139 N -3.74 2.44 -0.04 -0.38 2.02 -1.26 -0.87 118.70 116.86 1wpv s GLU 139 Ca 0.39 1.14 -0.12 0.00 0.02 0.00 0.00 54.97 56.41 1wpv s GLU 139 Cb 0.04 -1.92 0.02 0.00 0.10 0.00 0.00 34.13 32.37 1wpv s GLU 139 CO 0.20 -1.50 0.26 -0.08 0.02 0.00 0.00 175.26 174.16 1wpv s THR 140 N -2.89 0.05 0.04 3.63 -1.32 0.09 -4.65 115.64 110.59 1wpv s THR 140 Ca 0.61 -0.37 -0.02 0.00 -1.21 0.00 0.00 61.69 60.70 1wpv s THR 140 Cb -0.17 -0.51 -0.03 0.00 -1.51 0.00 0.00 72.50 70.29 1wpv s THR 140 CO 0.55 -0.21 -0.00 -0.36 -2.21 0.00 0.00 174.62 172.39 1wpv s PHE 141 N -0.87 0.41 -0.28 9.09 0.40 -1.26 -1.97 117.98 123.49 1wpv s PHE 141 Ca -0.10 -0.86 -0.22 0.00 -0.60 0.00 0.00 56.93 55.16 1wpv s PHE 141 Cb -0.05 -0.30 0.12 0.00 0.51 0.00 0.00 43.02 43.30 1wpv s PHE 141 CO 0.02 -0.34 0.97 0.20 0.70 0.00 0.00 175.22 176.77 1wpv s GLY 142 N -2.50 -0.17 -0.05 4.36 0.00 -0.65 -1.87 107.32 106.44 1wpv s GLY 142 Ca 0.00 2.75 0.00 0.00 0.00 0.00 0.00 44.72 47.48 1wpv s GLY 142 CO -0.07 2.08 -0.02 0.14 0.00 0.00 0.00 173.10 175.23 1wpv s VAL 143 N 0.65 0.36 -0.05 1.40 1.01 -1.26 -0.10 120.40 122.40 1wpv s VAL 143 Ca -0.01 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1wpv s VAL 143 Cb -0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1wpv s VAL 143 CO -0.09 0.20 -0.23 -0.83 0.00 0.00 0.00 175.10 174.16 1wpv s GLY 144 N 1.24 1.18 -0.03 4.51 0.00 0.36 -4.16 107.32 110.42 1wpv s GLY 144 Ca -0.06 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.76 1wpv s GLY 144 CO -0.02 -0.56 -0.16 -0.42 0.00 0.00 0.00 173.10 171.94 1wpv s ILE 145 N -0.11 1.33 0.09 0.90 1.01 -1.26 -0.36 121.20 122.80 1wpv s ILE 145 Ca -0.03 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 1wpv s ILE 145 Cb -0.13 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.22 1wpv s ILE 145 CO 0.03 0.38 0.28 0.21 0.00 0.00 0.00 174.94 175.84 1wpv s ASN 146 N -0.06 -0.04 0.32 3.58 2.47 -0.15 -4.87 114.94 116.19 1wpv s ASN 146 Ca -0.01 -0.43 -0.15 0.00 0.42 0.00 0.00 52.86 52.69 1wpv s ASN 146 Cb -0.10 0.38 -0.09 0.00 -1.45 0.00 0.00 41.25 39.99 1wpv s ASN 146 CO 0.01 -0.73 0.73 -1.38 -3.72 0.00 0.00 177.10 172.01 1wpv s HIS 147 N -3.48 3.37 0.00 0.43 -3.43 -1.26 0.46 115.29 111.38 1wpv s HIS 147 Ca 0.02 1.20 0.00 0.00 -0.80 0.00 0.00 55.06 55.47 1wpv s HIS 147 Cb 0.02 -2.52 0.00 0.00 -1.43 0.00 0.00 32.58 28.66 1wpv s HIS 147 CO -0.09 0.10 0.00 1.51 -2.00 0.00 0.00 174.74 174.26