#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 4.26 -0.31 -4.42 1.43 -1.26 -1.87 118.68 116.50 1wpv s LEU 3 Ca 0.00 2.79 -0.19 0.00 -1.03 0.00 0.00 54.13 55.70 1wpv s LEU 3 Cb 0.00 -3.81 -0.01 0.00 0.03 0.00 0.00 46.19 42.39 1wpv s LEU 3 CO 0.00 -0.86 0.56 -2.28 0.23 0.00 0.00 176.35 174.01 1wpv s HIS 4 N -1.20 3.21 0.37 0.29 5.65 0.34 -4.75 115.29 119.21 1wpv s HIS 4 Ca 0.55 0.44 0.16 0.00 0.25 0.00 0.00 55.06 56.46 1wpv s HIS 4 Cb -0.41 -2.92 1.06 0.00 -1.18 0.00 0.00 32.58 29.13 1wpv s HIS 4 CO 0.54 -0.46 1.74 1.57 -0.65 0.00 0.00 174.74 177.48 1wpv h LYS 5 N 8.26 0.42 -0.07 2.88 -0.00 -1.94 0.49 116.57 126.61 1wpv h LYS 5 Ca -0.28 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.35 1wpv h LYS 5 Cb 1.13 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.26 1wpv h LYS 5 CO 0.77 0.28 0.00 0.39 -0.00 0.00 0.00 179.45 180.89 1wpv n GLU 6 N -4.74 1.41 -1.06 0.07 -0.58 -1.26 -3.85 120.64 110.63 1wpv n GLU 6 Ca 0.27 -0.62 0.04 0.00 -0.42 0.00 0.00 57.16 56.43 1wpv n GLU 6 Cb 0.88 -1.38 0.06 0.00 -0.57 0.00 0.00 31.44 30.43 1wpv n GLU 6 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1wpv n ARG 7 N -0.19 0.41 -2.09 3.49 1.74 0.17 -5.02 116.66 115.18 1wpv n ARG 7 Ca 0.17 -2.15 -0.33 0.00 -0.77 0.00 0.00 57.85 54.77 1wpv n ARG 7 Cb 0.23 -0.51 -0.04 0.00 -1.02 0.00 0.00 32.46 31.11 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 -0.85 2.65 0.35 5.56 0.52 -0.93 -4.18 118.95 122.08 1wpv s ARG 8 Ca 0.29 0.05 0.13 0.00 -0.52 0.00 0.00 55.73 55.67 1wpv s ARG 8 Cb 0.32 -4.76 0.95 0.00 0.52 0.00 0.00 34.95 31.97 1wpv s ARG 8 CO -0.11 -3.01 1.77 0.97 0.02 0.00 0.00 175.30 174.94 1wpv h ILE 9 N 7.04 0.58 0.18 1.52 2.10 -1.90 -0.71 117.51 126.33 1wpv h ILE 9 Ca -0.06 -0.19 -0.01 0.00 1.08 0.00 0.00 64.86 65.68 1wpv h ILE 9 Cb 1.07 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 1wpv h ILE 9 CO 1.23 0.10 -0.09 1.23 -1.08 0.00 0.00 178.15 179.54 1wpv h GLY 10 N 0.55 -0.26 0.42 8.18 0.00 -1.97 -1.90 103.07 108.08 1wpv h GLY 10 Ca 0.60 0.10 0.10 0.00 0.00 0.00 0.00 47.33 48.13 1wpv h GLY 10 CO -0.36 -0.09 0.37 -0.09 0.00 0.00 0.00 176.54 176.36 1wpv h ARG 11 N -0.72 0.59 -0.46 4.80 2.43 -1.84 -1.68 114.38 117.51 1wpv h ARG 11 Ca -0.03 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1wpv h ARG 11 Cb 0.50 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1wpv h ARG 11 CO 0.04 0.39 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.81 1wpv h LEU 12 N 0.61 0.81 -1.29 3.80 3.38 -1.16 -1.05 115.31 120.41 1wpv h LEU 12 Ca 0.37 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1wpv h LEU 12 Cb 0.42 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1wpv h LEU 12 CO -0.29 0.93 0.04 0.77 0.09 0.00 0.00 178.44 179.98 1wpv h SER 13 N 0.67 0.48 0.07 -0.43 4.64 -0.82 -1.82 113.55 116.35 1wpv h SER 13 Ca 0.13 -0.08 -0.23 0.00 -0.47 0.00 0.00 61.79 61.14 1wpv h SER 13 Cb 0.52 -0.13 0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1wpv h SER 13 CO 0.03 0.52 -0.95 0.58 -0.87 0.00 0.00 176.83 176.14 1wpv h VAL 14 N 0.51 1.37 -0.23 0.95 2.07 -1.15 -1.31 116.25 118.45 1wpv h VAL 14 Ca 0.11 -2.33 -0.03 0.00 0.82 0.00 0.00 66.70 65.28 1wpv h VAL 14 Cb 0.26 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1wpv h VAL 14 CO 0.00 0.69 0.01 -0.07 0.02 0.00 0.00 177.57 178.23 1wpv h LEU 15 N 0.06 0.31 -0.16 2.57 3.38 -1.06 0.27 115.31 120.67 1wpv h LEU 15 Ca -0.14 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 1wpv h LEU 15 Cb 1.66 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1wpv h LEU 15 CO 0.18 0.35 -0.50 0.25 0.09 0.00 0.00 178.44 178.82 1wpv h LEU 16 N 0.33 0.71 -0.83 1.67 5.85 -1.33 -2.55 115.31 119.17 1wpv h LEU 16 Ca 0.08 -0.59 -0.08 0.00 0.84 0.00 0.00 57.88 58.12 1wpv h LEU 16 Cb 0.20 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1wpv h LEU 16 CO 0.00 1.18 -0.04 0.25 -0.34 0.00 0.00 178.44 179.50 1wpv h LEU 17 N 0.28 0.81 -0.40 2.25 5.85 -0.41 -3.05 115.31 120.64 1wpv h LEU 17 Ca -0.02 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1wpv h LEU 17 Cb 1.12 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1wpv h LEU 17 CO 0.11 0.90 -0.17 0.18 -0.34 0.00 0.00 178.44 179.12 1wpv n LEU 18 N -4.19 0.80 -4.71 2.25 4.77 0.87 -4.85 117.00 111.93 1wpv n LEU 18 Ca 0.02 -0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.44 1wpv n LEU 18 Cb 0.33 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1wpv n LEU 18 CO 0.42 0.15 0.50 0.21 -1.33 0.00 0.00 177.39 177.34 1wpv s ASN 19 N -2.45 7.08 -0.26 -1.43 3.84 -0.96 -4.96 114.94 115.80 1wpv s ASN 19 Ca 0.27 1.31 0.09 0.00 0.21 0.00 0.00 52.86 54.75 1wpv s ASN 19 Cb 0.20 -2.46 0.46 0.00 -0.55 0.00 0.00 41.25 38.90 1wpv s ASN 19 CO 0.49 -0.19 1.35 -0.62 -2.79 0.00 0.00 177.10 175.33 1wpv n GLU 20 N 4.02 1.83 -1.99 0.43 1.02 -1.26 -4.99 120.64 119.70 1wpv n GLU 20 Ca 0.01 -3.31 -0.31 0.00 -0.02 0.00 0.00 57.16 53.54 1wpv n GLU 20 Cb 0.51 -1.76 0.01 0.00 -0.02 0.00 0.00 31.44 30.17 1wpv n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wpv s ALA 21 N -3.28 3.13 -0.13 0.62 0.00 -1.26 -5.04 121.76 115.80 1wpv s ALA 21 Ca 0.42 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 1wpv s ALA 21 Cb 0.39 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 1wpv s ALA 21 CO -0.03 -0.62 -0.25 0.39 0.00 0.00 0.00 175.76 175.25 1wpv n GLU 22 N -2.61 0.40 -1.57 0.00 1.02 -1.26 -4.56 120.64 112.06 1wpv n GLU 22 Ca 0.05 0.22 -0.18 0.00 -0.02 0.00 0.00 57.16 57.24 1wpv n GLU 22 Cb 0.54 -1.28 -0.06 0.00 -0.02 0.00 0.00 31.44 30.62 1wpv n GLU 22 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1wpv s GLU 23 N -2.39 1.69 -0.70 3.49 -1.05 -1.26 -4.83 118.70 113.64 1wpv s GLU 23 Ca -0.20 0.66 0.01 0.00 -0.15 0.00 0.00 54.97 55.29 1wpv s GLU 23 Cb 0.03 -4.75 0.17 0.00 -0.44 0.00 0.00 34.13 29.15 1wpv s GLU 23 CO 0.30 -4.24 0.52 0.45 0.95 0.00 0.00 175.26 173.25 1wpv s SER 24 N 11.14 5.16 0.00 0.83 0.15 -1.26 -4.92 113.70 124.79 1wpv s SER 24 Ca 0.93 -3.42 0.31 0.00 0.70 0.00 0.00 55.95 54.48 1wpv s SER 24 Cb -0.14 -1.77 1.83 0.00 -1.71 0.00 0.00 66.02 64.23 1wpv s SER 24 CO 0.11 -0.21 2.18 0.35 1.20 0.00 0.00 173.24 176.88 1wpv n THR 25 N 2.65 0.00 -0.15 6.45 -2.24 -1.26 -3.98 114.28 115.75 1wpv n THR 25 Ca 0.15 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.88 1wpv n THR 25 Cb 0.36 -0.51 0.04 0.00 -2.10 0.00 0.00 70.33 68.12 1wpv n THR 25 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1wpv h GLN 26 N 0.00 0.43 -0.41 -0.78 4.20 -1.98 0.48 115.11 117.05 1wpv h GLN 26 Ca 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1wpv h GLN 26 Cb 0.05 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1wpv h GLN 26 CO 0.00 0.29 0.25 0.28 -0.67 0.00 0.00 178.83 178.98 1wpv h VAL 27 N 0.45 1.12 -0.64 -0.54 2.07 -2.00 0.13 116.25 116.84 1wpv h VAL 27 Ca 0.21 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1wpv h VAL 27 Cb 0.14 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1wpv h VAL 27 CO -0.16 0.12 0.34 -0.33 0.02 0.00 0.00 177.57 177.56 1wpv h GLU 28 N 0.54 0.89 -0.28 1.57 3.07 -1.64 -1.05 114.58 117.68 1wpv h GLU 28 Ca 0.15 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1wpv h GLU 28 Cb -0.02 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 1wpv h GLU 28 CO -0.03 0.68 0.15 1.05 -1.40 0.00 0.00 179.01 179.46 1wpv h GLU 29 N 0.87 0.39 -0.25 2.33 4.11 0.43 -0.01 114.58 122.45 1wpv h GLU 29 Ca 0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1wpv h GLU 29 Cb 0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1wpv h GLU 29 CO -0.03 0.35 0.16 -0.07 0.07 0.00 0.00 179.01 179.48 1wpv h LEU 30 N 0.33 0.30 -1.29 3.06 3.38 -0.56 -1.71 115.31 118.81 1wpv h LEU 30 Ca 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1wpv h LEU 30 Cb 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1wpv h LEU 30 CO -0.01 0.25 0.18 -0.33 0.09 0.00 0.00 178.44 178.61 1wpv h GLU 31 N 0.33 0.66 0.00 1.13 5.08 -1.02 -0.67 114.58 120.09 1wpv h GLU 31 Ca 0.09 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1wpv h GLU 31 Cb -0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1wpv h GLU 31 CO -0.02 0.55 -0.27 0.00 -1.00 0.00 0.00 179.01 178.27 1wpv h ARG 32 N 0.66 0.00 -0.06 2.33 2.47 -0.52 -1.88 114.38 117.38 1wpv h ARG 32 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1wpv h ARG 32 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1wpv h ARG 32 CO -0.01 0.27 0.00 -0.25 0.56 0.00 0.00 179.97 180.54 1wpv n ASP 33 N -3.85 1.20 0.00 7.04 8.00 -0.35 -4.91 116.55 123.67 1wpv n ASP 33 Ca -0.02 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.00 1wpv n ASP 33 Cb 0.36 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 1.10 0.54 3.83 0.44 0.00 -0.71 -5.08 105.19 105.31 1wpv n GLY 34 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 3.38 -0.25 1.61 0.52 -0.63 -4.88 118.94 116.69 1wpv s TRP 35 Ca 0.00 1.47 -0.10 0.00 0.02 0.00 0.00 56.10 57.49 1wpv s TRP 35 Cb 0.00 -2.73 -0.05 0.00 -1.15 0.00 0.00 33.47 29.55 1wpv s TRP 35 CO 0.00 0.01 0.15 0.15 0.02 0.00 0.00 176.95 177.28 1wpv s LYS 36 N -2.95 3.96 0.05 4.98 -0.14 -0.69 -3.96 119.74 120.98 1wpv s LYS 36 Ca 0.57 -0.32 0.09 0.00 -1.36 0.00 0.00 55.97 54.95 1wpv s LYS 36 Cb -0.11 -3.51 -0.03 0.00 -1.68 0.00 0.00 37.83 32.51 1wpv s LYS 36 CO 0.16 -0.02 -0.26 0.08 -0.76 0.00 0.00 175.35 174.55 1wpv s VAL 37 N 1.28 2.08 -0.02 3.17 1.01 -1.26 -1.32 120.40 125.34 1wpv s VAL 37 Ca 0.07 -1.38 -0.01 0.00 0.00 0.00 0.00 61.98 60.67 1wpv s VAL 37 Cb -0.14 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1wpv s VAL 37 CO 0.06 0.34 0.03 0.00 0.00 0.00 0.00 175.10 175.53 1wpv s LEU 39 N 0.55 2.05 0.00 0.00 1.43 -1.26 -1.01 118.68 120.43 1wpv s LEU 39 Ca -0.04 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 1wpv s LEU 39 Cb -0.06 -0.44 0.06 0.00 0.03 0.00 0.00 46.19 45.78 1wpv s LEU 39 CO -0.02 0.08 0.83 0.61 0.23 0.00 0.00 176.35 178.09 1wpv n GLY 40 N 2.68 0.89 2.98 -3.19 0.00 -0.61 -5.00 105.19 102.94 1wpv n GLY 40 Ca -0.14 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 1wpv n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wpv s LYS 41 N -2.07 0.31 -0.28 1.61 1.02 -1.26 -0.87 119.74 118.20 1wpv s LYS 41 Ca 0.17 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.40 1wpv s LYS 41 Cb -0.04 0.11 0.08 0.00 -0.52 0.00 0.00 37.83 37.46 1wpv s LYS 41 CO 0.09 -0.05 0.69 0.54 -0.92 0.00 0.00 175.35 175.71 1wpv s VAL 42 N -1.45 0.00 -0.09 3.17 0.11 -0.01 -4.99 120.40 117.13 1wpv s VAL 42 Ca -0.16 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.93 1wpv s VAL 42 Cb -0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1wpv s VAL 42 CO -0.01 0.00 -0.22 -0.83 -3.33 0.00 0.00 175.10 170.71 1wpv s GLY 43 N 1.61 1.24 -0.05 6.54 0.00 -1.26 -0.53 107.32 114.86 1wpv s GLY 43 Ca -0.10 -0.87 -0.31 0.00 0.00 0.00 0.00 44.72 43.44 1wpv s GLY 43 CO -0.20 -0.24 1.07 -0.45 0.00 0.00 0.00 173.10 173.28 1wpv s SER 44 N 0.41 -0.21 0.00 1.64 0.15 -0.59 -4.99 113.70 110.10 1wpv s SER 44 Ca -0.18 -0.07 0.16 0.00 0.70 0.00 0.00 55.95 56.56 1wpv s SER 44 Cb -0.18 0.28 0.29 0.00 -1.71 0.00 0.00 66.02 64.70 1wpv s SER 44 CO 0.08 -0.47 1.20 0.23 1.20 0.00 0.00 173.24 175.48 1wpv n MET 45 N -0.25 2.05 -3.99 5.44 2.81 -1.26 -1.88 117.12 120.04 1wpv n MET 45 Ca -0.05 -1.90 -0.34 0.00 -1.81 0.00 0.00 57.70 53.60 1wpv n MET 45 Cb 0.60 -1.36 -0.15 0.00 -0.71 0.00 0.00 33.22 31.61 1wpv n MET 45 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wpv s ASP 46 N -1.20 4.02 0.35 7.83 1.01 -1.26 0.41 116.67 127.84 1wpv s ASP 46 Ca 0.27 -0.69 0.04 0.00 0.71 0.00 0.00 52.55 52.88 1wpv s ASP 46 Cb 0.16 -1.64 0.66 0.00 1.01 0.00 0.00 42.92 43.11 1wpv s ASP 46 CO 0.22 -0.07 1.94 0.00 0.21 0.00 0.00 175.17 177.48 1wpv h ALA 47 N 8.02 1.48 0.00 5.23 0.00 -1.93 -2.09 119.26 129.97 1wpv h ALA 47 Ca -0.38 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1wpv h ALA 47 Cb 1.13 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1wpv h ALA 47 CO 0.60 0.40 -0.12 1.12 0.00 0.00 0.00 179.25 181.24 1wpv h HIS 48 N 0.61 0.00 -0.08 0.00 2.07 -1.98 -0.64 115.15 115.14 1wpv h HIS 48 Ca 0.15 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.50 1wpv h HIS 48 Cb 0.14 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.12 1wpv h HIS 48 CO 0.01 0.12 -0.68 0.87 -3.07 0.00 0.00 177.93 175.18 1wpv h LYS 49 N 0.00 0.34 -0.22 5.12 1.57 -1.80 0.14 116.57 121.72 1wpv h LYS 49 Ca -0.00 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.45 1wpv h LYS 49 Cb 0.24 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1wpv h LYS 49 CO 0.02 0.89 -0.13 0.28 -0.57 0.00 0.00 179.45 179.94 1wpv h VAL 50 N 0.24 1.31 -0.53 0.50 2.07 -1.13 0.79 116.25 119.50 1wpv h VAL 50 Ca -0.02 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1wpv h VAL 50 Cb 1.23 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1wpv h VAL 50 CO 0.11 0.37 0.24 0.40 0.02 0.00 0.00 177.57 178.72 1wpv h ILE 51 N 0.18 1.20 -0.56 4.57 2.04 -1.08 -2.17 117.51 121.70 1wpv h ILE 51 Ca 0.05 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1wpv h ILE 51 Cb 0.63 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1wpv h ILE 51 CO 0.04 0.23 0.33 0.00 0.00 0.00 0.00 178.15 178.75 1wpv h ALA 52 N 1.08 0.71 -0.19 1.87 0.00 -0.55 -1.39 119.26 120.79 1wpv h ALA 52 Ca 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wpv h ALA 52 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1wpv h ALA 52 CO -0.02 0.20 0.12 0.00 0.00 0.00 0.00 179.25 179.55 1wpv h ALA 53 N 1.16 0.25 -0.75 0.00 0.00 -0.60 -1.03 119.26 118.29 1wpv h ALA 53 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1wpv h ALA 53 Cb -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1wpv h ALA 53 CO -0.04 -0.25 0.31 0.82 0.00 0.00 0.00 179.25 180.10 1wpv h ILE 54 N 0.24 1.25 0.17 0.00 2.04 -1.26 -0.63 117.51 119.32 1wpv h ILE 54 Ca 0.07 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1wpv h ILE 54 Cb 0.02 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1wpv h ILE 54 CO -0.01 0.32 -0.08 -0.08 0.00 0.00 0.00 178.15 178.29 1wpv h GLU 55 N 1.08 -0.22 0.06 2.37 4.81 -1.06 -1.18 114.58 120.43 1wpv h GLU 55 Ca 0.25 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1wpv h GLU 55 Cb 0.19 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1wpv h GLU 55 CO -0.02 0.02 -0.15 1.15 -0.73 0.00 0.00 179.01 179.28 1wpv h THR 56 N -0.45 0.65 -0.89 0.32 2.02 -1.12 -0.86 112.91 112.59 1wpv h THR 56 Ca -0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.22 1wpv h THR 56 Cb 0.35 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 1wpv h THR 56 CO 0.04 0.00 0.56 0.00 0.37 0.00 0.00 175.52 176.49 1wpv h ALA 57 N 0.62 1.24 -0.55 6.16 0.00 -1.12 0.98 119.26 126.59 1wpv h ALA 57 Ca 0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1wpv h ALA 57 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wpv h ALA 57 CO -0.10 0.30 -0.05 0.77 0.00 0.00 0.00 179.25 180.17 1wpv h SER 58 N 1.01 0.97 0.25 0.00 0.02 -0.81 -1.75 113.55 113.23 1wpv h SER 58 Ca 0.39 -0.29 -0.21 0.00 -0.84 0.00 0.00 61.79 60.85 1wpv h SER 58 Cb 0.19 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1wpv h SER 58 CO -0.18 1.05 -0.83 0.11 -1.14 0.00 0.00 176.83 175.84 1wpv h LYS 59 N 0.89 0.45 0.00 3.45 1.57 -0.54 0.14 116.57 122.53 1wpv h LYS 59 Ca 0.15 -0.41 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 1wpv h LYS 59 Cb 0.59 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1wpv h LYS 59 CO 0.04 1.06 -0.40 0.87 -0.57 0.00 0.00 179.45 180.44 1wpv h LYS 60 N 0.28 0.00 -0.01 3.15 1.57 -0.75 -2.78 116.57 118.03 1wpv h LYS 60 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1wpv h LYS 60 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1wpv h LYS 60 CO 0.15 0.40 -0.35 -1.13 -0.57 0.00 0.00 179.45 177.95 1wpv n SER 61 N -3.61 1.24 -0.19 0.86 3.41 -0.66 -4.96 113.62 109.70 1wpv n SER 61 Ca -0.01 -1.01 -0.02 0.00 -0.26 0.00 0.00 58.87 57.57 1wpv n SER 61 Cb 0.51 0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.71 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 1.38 0.53 0.17 5.00 0.00 -0.80 -4.92 105.19 106.55 1wpv n GLY 62 Ca 0.11 -0.96 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 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 1.37 -4.18 1.61 2.07 -1.02 -3.45 116.25 112.64 1wpv h VAL 63 Ca -0.05 -1.82 -0.13 0.00 0.82 0.00 0.00 66.70 65.52 1wpv h VAL 63 Cb 0.25 1.91 -0.16 0.00 -1.52 0.00 0.00 31.29 31.77 1wpv h VAL 63 CO 0.07 0.53 -0.68 0.27 0.02 0.00 0.00 177.57 177.78 1wpv s ILE 64 N -3.88 0.25 0.27 4.57 -4.36 -1.22 -4.90 121.20 111.94 1wpv s ILE 64 Ca -0.04 -1.74 -0.30 0.00 -0.26 0.00 0.00 60.65 58.32 1wpv s ILE 64 Cb 0.13 -1.42 -0.10 0.00 1.25 0.00 0.00 42.46 42.32 1wpv s ILE 64 CO 0.78 -0.94 1.34 -1.10 0.24 0.00 0.00 174.94 175.26 1wpv s GLN 65 N -3.68 4.35 0.24 0.37 -0.21 -1.26 -4.50 119.66 114.97 1wpv s GLN 65 Ca 0.05 2.19 0.26 0.00 0.02 0.00 0.00 55.36 57.87 1wpv s GLN 65 Cb 0.06 -3.12 0.76 0.00 1.00 0.00 0.00 33.01 31.71 1wpv s GLN 65 CO -0.09 -0.27 1.75 0.77 -2.12 0.00 0.00 175.29 175.34 1wpv h SER 66 N 4.47 0.00 -2.52 5.90 0.02 -1.96 -3.43 113.55 116.03 1wpv h SER 66 Ca -0.47 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 59.92 1wpv h SER 66 Cb 1.22 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.67 1wpv h SER 66 CO 0.73 0.00 -0.61 -1.61 -1.14 0.00 0.00 176.83 174.19 1wpv s GLU 67 N -3.13 2.56 0.00 3.45 8.01 -1.26 -5.03 118.70 123.30 1wpv s GLU 67 Ca 0.10 -1.15 0.00 0.00 0.01 0.00 0.00 54.97 53.93 1wpv s GLU 67 Cb 0.11 -2.39 0.00 0.00 -4.31 0.00 0.00 34.13 27.54 1wpv s GLU 67 CO 0.60 0.42 0.00 0.41 0.01 0.00 0.00 175.26 176.70 1wpv n GLY 68 N -0.60 -1.48 0.05 -1.39 0.00 -1.26 -4.86 105.19 95.64 1wpv n GLY 68 Ca -0.08 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.65 0.00 -0.36 1.61 9.36 -1.26 -4.65 117.16 120.20 1wpv n TYR 69 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1wpv n TYR 69 Cb 0.00 -0.38 0.05 0.00 -0.63 0.00 0.00 39.34 38.38 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 -2.60 -0.20 0.09 2.98 0.63 -1.26 0.33 116.66 116.63 1wpv n ARG 70 Ca -0.16 1.46 -0.07 0.00 -0.92 0.00 0.00 57.85 58.16 1wpv n ARG 70 Cb 0.71 -2.16 0.02 0.00 0.45 0.00 0.00 32.46 31.48 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 0.14 -0.40 -0.14 5.08 -1.89 -1.76 114.58 115.62 1wpv h GLU 71 Ca 0.35 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1wpv h GLU 71 Cb 0.58 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1wpv h GLU 71 CO -0.94 0.88 -0.17 0.77 -1.00 0.00 0.00 179.01 178.55 1wpv h SER 72 N 0.08 0.75 -0.27 1.42 0.02 -1.28 -0.66 113.55 113.62 1wpv h SER 72 Ca -0.03 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1wpv h SER 72 Cb 1.42 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1wpv h SER 72 CO 0.12 0.93 0.11 -0.74 -1.14 0.00 0.00 176.83 176.11 1wpv h HIS 73 N 0.67 0.40 -0.29 3.45 -0.00 0.02 0.14 115.15 119.54 1wpv h HIS 73 Ca 0.10 -0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.47 1wpv h HIS 73 Cb 0.66 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.92 1wpv h HIS 73 CO 0.03 0.40 0.13 0.00 -0.00 0.00 0.00 177.93 178.49 1wpv h ALA 74 N 0.96 0.35 -0.61 5.26 0.00 -0.99 -2.43 119.26 121.81 1wpv h ALA 74 Ca 0.09 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1wpv h ALA 74 Cb 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1wpv h ALA 74 CO -0.01 -0.27 0.19 1.25 0.00 0.00 0.00 179.25 180.42 1wpv h LEU 75 N 0.28 0.88 -0.45 0.00 5.85 -0.90 -2.42 115.31 118.55 1wpv h LEU 75 Ca 0.13 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1wpv h LEU 75 Cb 0.07 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1wpv h LEU 75 CO -0.10 0.85 0.23 0.22 -0.34 0.00 0.00 178.44 179.30 1wpv h TYR 76 N 0.86 0.43 0.00 1.25 3.20 -0.41 0.31 116.97 122.61 1wpv h TYR 76 Ca 0.20 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 1wpv h TYR 76 Cb 0.28 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1wpv h TYR 76 CO 0.02 0.22 -0.48 0.45 -1.64 0.00 0.00 178.16 176.73 1wpv h HIS 77 N 0.47 0.00 -0.27 -3.82 3.86 -1.37 -0.19 115.15 113.83 1wpv h HIS 77 Ca 0.19 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.22 1wpv h HIS 77 Cb 0.09 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 1wpv h HIS 77 CO -0.10 0.48 -0.56 0.00 0.86 0.00 0.00 177.93 178.62 1wpv h ALA 78 N 1.52 0.50 -0.35 2.45 0.00 -0.92 -1.73 119.26 120.72 1wpv h ALA 78 Ca -0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1wpv h ALA 78 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1wpv h ALA 78 CO 0.06 0.68 0.10 1.15 0.00 0.00 0.00 179.25 181.25 1wpv h THR 79 N 0.63 1.21 -0.36 0.00 2.02 -0.65 -0.21 112.91 115.56 1wpv h THR 79 Ca 0.01 -0.71 0.04 0.00 0.77 0.00 0.00 66.41 66.53 1wpv h THR 79 Cb 1.16 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 1wpv h THR 79 CO 0.12 0.24 0.12 0.24 0.37 0.00 0.00 175.52 176.62 1wpv h MET 80 N 0.42 0.26 -0.62 6.66 2.86 -0.94 0.77 114.93 124.34 1wpv h MET 80 Ca 0.11 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1wpv h MET 80 Cb 0.27 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1wpv h MET 80 CO -0.00 0.17 0.17 0.93 1.06 0.00 0.00 176.91 179.24 1wpv h GLU 81 N 0.27 0.95 -0.47 1.72 5.08 -1.05 -2.08 114.58 119.01 1wpv h GLU 81 Ca 0.16 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1wpv h GLU 81 Cb 0.14 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1wpv h GLU 81 CO -0.17 0.83 -0.03 0.00 -1.00 0.00 0.00 179.01 178.64 1wpv h ALA 82 N 1.27 1.07 0.00 3.43 0.00 -0.39 -2.22 119.26 122.42 1wpv h ALA 82 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wpv h ALA 82 Cb 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wpv h ALA 82 CO -0.00 0.58 0.00 -0.07 0.00 0.00 0.00 179.25 179.76 1wpv h LEU 83 N 0.74 0.00 -0.43 0.00 3.38 -0.20 -2.79 115.31 116.01 1wpv h LEU 83 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1wpv h LEU 83 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1wpv h LEU 83 CO 0.02 0.00 -0.08 0.45 0.09 0.00 0.00 178.44 178.92 1wpv h HIS 84 N 0.00 0.91 0.00 1.13 3.86 -0.88 0.18 115.15 120.34 1wpv h HIS 84 Ca 0.00 -0.19 -0.07 0.00 -1.16 0.00 0.00 60.37 58.96 1wpv h HIS 84 Cb 0.33 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1wpv h HIS 84 CO 0.00 0.91 -0.31 0.78 0.86 0.00 0.00 177.93 180.17 1wpv h GLY 85 N 0.64 0.00 0.47 2.45 0.00 -1.57 0.31 103.07 105.37 1wpv h GLY 85 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.32 1wpv h GLY 85 CO 0.04 0.00 -0.52 -2.08 0.00 0.00 0.00 176.54 173.98 1wpv h VAL 86 N 0.00 1.60 0.00 4.60 2.07 -1.14 -3.38 116.25 119.99 1wpv h VAL 86 Ca -0.00 -2.42 -0.04 0.00 0.82 0.00 0.00 66.70 65.06 1wpv h VAL 86 Cb 0.59 3.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.55 1wpv h VAL 86 CO 0.04 0.67 -0.99 0.71 0.02 0.00 0.00 177.57 178.02 1wpv h THR 87 N -0.55 0.15 -6.35 2.57 1.35 -0.61 -3.46 112.91 106.01 1wpv h THR 87 Ca -0.09 -1.28 -0.42 0.00 -0.55 0.00 0.00 66.41 64.07 1wpv h THR 87 Cb 1.39 1.70 0.04 0.00 -1.73 0.00 0.00 68.15 69.56 1wpv h THR 87 CO 0.10 0.08 -0.88 0.54 -0.25 0.00 0.00 175.52 175.12 1wpv n ARG 88 N -2.79 -1.12 0.00 4.72 1.74 0.11 -3.84 116.66 115.48 1wpv n ARG 88 Ca -0.02 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1wpv n ARG 88 Cb 0.62 -3.68 0.00 0.00 -1.02 0.00 0.00 32.46 28.38 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 -1.75 3.41 2.99 -0.13 0.00 -1.26 -5.03 105.19 103.41 1wpv n GLY 89 Ca -0.13 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 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 1.95 -1.37 1.61 0.41 -1.25 -5.02 118.70 115.03 1wpv s GLU 90 Ca 0.00 -0.89 -0.09 0.00 -0.41 0.00 0.00 54.97 53.58 1wpv s GLU 90 Cb 0.00 -2.46 -0.07 0.00 -1.78 0.00 0.00 34.13 29.81 1wpv s GLU 90 CO 0.00 -0.47 2.64 -0.12 -0.49 0.00 0.00 175.26 176.82 1wpv n MET 91 N 4.67 3.10 -4.24 1.61 1.56 -1.26 -4.78 117.12 117.78 1wpv n MET 91 Ca -0.14 -1.97 -0.17 0.00 -0.27 0.00 0.00 57.70 55.15 1wpv n MET 91 Cb 0.46 -2.71 -0.14 0.00 2.15 0.00 0.00 33.22 32.98 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 0.25 2.05 0.00 -0.89 1.43 -1.26 -4.96 118.68 115.30 1wpv s LEU 92 Ca 0.59 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1wpv s LEU 92 Cb 0.15 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 46.02 1wpv s LEU 92 CO -0.05 0.05 0.00 0.18 0.23 0.00 0.00 176.35 176.76 1wpv n LEU 93 N 2.68 0.00 -0.30 1.79 4.77 -1.26 -4.71 117.00 119.96 1wpv n LEU 93 Ca -0.14 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1wpv n LEU 93 Cb 0.57 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.97 1wpv n LEU 93 CO 0.25 0.00 1.04 1.23 -1.33 0.00 0.00 177.39 178.57 1wpv h GLY 94 N 0.00 1.52 2.00 -0.72 0.00 0.59 0.20 103.07 106.66 1wpv h GLY 94 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1wpv h GLY 94 CO 0.00 -0.27 0.00 -1.14 0.00 0.00 0.00 176.54 175.13 1wpv n SER 95 N -5.06 0.61 -0.80 0.19 3.41 -1.26 -0.62 113.62 110.10 1wpv n SER 95 Ca 0.22 0.73 0.04 0.00 -0.26 0.00 0.00 58.87 59.60 1wpv n SER 95 Cb 0.66 -0.83 0.21 0.00 -0.26 0.00 0.00 64.21 63.98 1wpv n SER 95 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wpv n LEU 96 N -2.27 3.56 -3.79 1.04 4.77 0.67 -4.98 117.00 116.00 1wpv n LEU 96 Ca -0.00 -3.38 -0.27 0.00 -0.03 0.00 0.00 56.01 52.32 1wpv n LEU 96 Cb 0.10 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.68 1wpv n LEU 96 CO 0.13 0.96 0.12 -0.11 -1.33 0.00 0.00 177.39 177.16 1wpv n LEU 97 N -0.97 -2.88 -4.08 2.23 7.94 0.21 -5.00 117.00 114.45 1wpv n LEU 97 Ca 0.24 -0.72 -0.09 0.00 -1.11 0.00 0.00 56.01 54.33 1wpv n LEU 97 Cb 0.88 -2.71 -0.10 0.00 0.53 0.00 0.00 43.42 42.01 1wpv n LEU 97 CO 0.12 0.50 -0.37 0.00 -1.11 0.00 0.00 177.39 176.54 1wpv s ARG 98 N -6.42 0.57 0.13 1.96 1.70 -0.95 -4.48 118.95 111.47 1wpv s ARG 98 Ca 0.54 -1.06 0.00 0.00 -0.47 0.00 0.00 55.73 54.74 1wpv s ARG 98 Cb -0.26 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.14 1wpv s ARG 98 CO 0.80 -0.06 0.01 -0.08 -1.08 0.00 0.00 175.30 174.89 1wpv s THR 99 N -3.06 0.38 0.12 4.99 -1.32 0.26 -2.01 115.64 115.00 1wpv s THR 99 Ca 0.01 -1.92 0.08 0.00 -1.21 0.00 0.00 61.69 58.65 1wpv s THR 99 Cb 0.02 -1.94 -0.04 0.00 -1.51 0.00 0.00 72.50 69.03 1wpv s THR 99 CO -0.06 -0.60 -0.18 0.68 -2.21 0.00 0.00 174.62 172.25 1wpv s VAL 100 N -3.85 1.63 -0.30 5.08 -7.23 -0.79 -1.62 120.40 113.32 1wpv s VAL 100 Ca 0.20 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1wpv s VAL 100 Cb 0.07 -1.61 0.09 0.00 0.56 0.00 0.00 36.38 35.49 1wpv s VAL 100 CO -0.00 -0.22 0.06 -0.83 -0.31 0.00 0.00 175.10 173.80 1wpv s GLY 101 N -2.24 1.28 0.19 2.32 0.00 -0.58 -1.55 107.32 106.73 1wpv s GLY 101 Ca 0.09 -1.77 0.11 0.00 0.00 0.00 0.00 44.72 43.15 1wpv s GLY 101 CO 0.05 1.36 -0.24 1.08 0.00 0.00 0.00 173.10 175.35 1wpv s LEU 102 N 1.44 2.44 -0.00 0.66 1.43 0.31 -1.15 118.68 123.80 1wpv s LEU 102 Ca 0.07 -0.85 0.05 0.00 -1.03 0.00 0.00 54.13 52.37 1wpv s LEU 102 Cb -0.18 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1wpv s LEU 102 CO -0.18 0.12 -0.16 -0.13 0.23 0.00 0.00 176.35 176.24 1wpv s ARG 103 N -2.64 2.31 0.02 1.70 0.52 0.10 -0.83 118.95 120.13 1wpv s ARG 103 Ca 0.20 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1wpv s ARG 103 Cb -0.08 -2.29 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 1wpv s ARG 103 CO 0.10 0.58 -0.03 -0.59 0.02 0.00 0.00 175.30 175.38 1wpv s PHE 104 N -0.83 0.28 -0.04 -0.53 -0.12 -0.05 -1.56 117.98 115.13 1wpv s PHE 104 Ca 0.13 -0.39 0.02 0.00 -0.05 0.00 0.00 56.93 56.65 1wpv s PHE 104 Cb -0.11 -0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.11 1wpv s PHE 104 CO 0.03 -0.12 -0.10 0.00 -0.05 0.00 0.00 175.22 174.98 1wpv s ALA 105 N -1.06 0.99 -0.19 1.99 0.00 -0.25 -1.57 121.76 121.67 1wpv s ALA 105 Ca -0.11 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1wpv s ALA 105 Cb -0.07 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1wpv s ALA 105 CO -0.01 0.13 -0.18 0.08 0.00 0.00 0.00 175.76 175.78 1wpv s VAL 106 N 0.40 2.01 -0.11 0.00 1.01 -0.18 -0.72 120.40 122.80 1wpv s VAL 106 Ca -0.07 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 60.94 1wpv s VAL 106 Cb -0.11 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1wpv s VAL 106 CO 0.01 0.44 -0.23 -0.22 0.00 0.00 0.00 175.10 175.10 1wpv s LEU 107 N 1.29 2.09 -0.09 3.92 2.96 -0.51 -1.37 118.68 126.97 1wpv s LEU 107 Ca 0.03 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1wpv s LEU 107 Cb -0.14 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.15 1wpv s LEU 107 CO -0.11 0.14 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.25 1wpv s ARG 108 N 0.42 2.69 0.00 1.98 3.52 -0.43 -0.91 118.95 126.23 1wpv s ARG 108 Ca -0.17 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.68 1wpv s ARG 108 Cb -0.18 -2.07 0.00 0.00 -1.56 0.00 0.00 34.95 31.14 1wpv s ARG 108 CO 0.07 0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.10 1wpv n GLY 109 N 3.63 -2.02 3.47 8.12 0.00 -0.49 -1.70 105.19 116.19 1wpv n GLY 109 Ca -0.20 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.33 6.18 0.00 1.61 3.84 -1.26 -0.83 114.94 124.15 1wpv s ASN 110 Ca 0.00 -0.77 0.27 0.00 0.21 0.00 0.00 52.86 52.57 1wpv s ASN 110 Cb 0.00 -2.22 1.29 0.00 -0.55 0.00 0.00 41.25 39.77 1wpv s ASN 110 CO 0.00 -0.59 1.87 -0.81 -2.79 0.00 0.00 177.10 174.78 1wpv n PRO 111 N 5.55 1.38 -3.62 0.43 -0.04 -1.26 -4.92 135.00 132.53 1wpv n PRO 111 Ca -0.08 -0.56 -0.20 0.00 -0.04 0.00 0.00 63.50 62.62 1wpv n PRO 111 Cb 0.47 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.97 2.83 0.22 0.54 1.51 -1.26 -0.50 117.35 118.71 1wpv s TYR 112 Ca 0.39 -0.38 0.11 0.00 -1.01 0.00 0.00 57.07 56.17 1wpv s TYR 112 Cb 0.20 -2.02 0.26 0.00 -0.11 0.00 0.00 41.96 40.29 1wpv s TYR 112 CO 0.32 -0.01 1.55 0.93 -1.11 0.00 0.00 175.55 177.23 1wpv h GLU 113 N 1.08 0.00 -6.10 -0.62 5.08 -1.67 -3.43 114.58 108.93 1wpv h GLU 113 Ca -0.43 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.37 1wpv h GLU 113 Cb 1.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 1wpv h GLU 113 CO 0.56 0.67 0.08 0.45 -1.00 0.00 0.00 179.01 179.77 1wpv s SER 114 N -6.76 7.03 0.27 1.42 0.15 -1.26 -4.94 113.70 109.60 1wpv s SER 114 Ca -0.00 1.23 0.26 0.00 0.70 0.00 0.00 55.95 58.13 1wpv s SER 114 Cb 0.12 -2.41 0.87 0.00 -1.71 0.00 0.00 66.02 62.88 1wpv s SER 114 CO 0.77 -0.04 1.75 1.05 1.20 0.00 0.00 173.24 177.97 1wpv h GLU 115 N 6.31 0.00 0.00 5.44 9.09 -1.97 -3.04 114.58 130.41 1wpv h GLU 115 Ca -0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.99 1wpv h GLU 115 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1wpv h GLU 115 CO 0.73 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.79 1wpv n ALA 116 N -1.83 1.73 0.56 1.06 0.00 -1.26 -2.46 120.51 118.31 1wpv n ALA 116 Ca 0.04 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1wpv n ALA 116 Cb 0.36 -1.31 0.39 0.00 0.00 0.00 0.00 19.45 18.89 1wpv n ALA 116 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wpv h GLU 117 N 0.00 0.00 0.00 0.00 4.39 -1.94 -3.49 114.58 113.54 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 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1wpv h GLU 117 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1wpv n GLY 118 N 1.19 0.24 3.78 -3.84 0.00 -1.03 -4.79 105.19 100.73 1wpv n GLY 118 Ca 0.05 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 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 7.39 0.18 1.61 1.11 -1.26 -4.16 116.67 117.53 1wpv s ASP 119 Ca 0.00 1.76 0.06 0.00 0.18 0.00 0.00 52.55 54.56 1wpv s ASP 119 Cb 0.00 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 1wpv s ASP 119 CO 0.00 0.07 -0.13 0.26 1.18 0.00 0.00 175.17 176.55 1wpv s TRP 120 N -1.39 1.52 -0.00 4.23 0.52 -0.01 -0.33 118.94 123.47 1wpv s TRP 120 Ca 0.44 -0.64 0.04 0.00 0.02 0.00 0.00 56.10 55.96 1wpv s TRP 120 Cb -0.21 -0.73 -0.01 0.00 -1.15 0.00 0.00 33.47 31.36 1wpv s TRP 120 CO 0.26 0.24 -0.14 -1.50 0.02 0.00 0.00 176.95 175.83 1wpv s ILE 121 N -3.06 1.10 -0.06 2.03 2.07 0.14 -1.39 121.20 122.02 1wpv s ILE 121 Ca 0.19 -0.68 0.04 0.00 -1.41 0.00 0.00 60.65 58.80 1wpv s ILE 121 Cb 0.00 -0.93 -0.00 0.00 0.13 0.00 0.00 42.46 41.66 1wpv s ILE 121 CO 0.04 0.25 -0.20 0.00 -1.91 0.00 0.00 174.94 173.12 1wpv s ALA 122 N -0.43 1.81 -0.22 1.50 0.00 -0.08 -1.13 121.76 123.21 1wpv s ALA 122 Ca 0.05 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 1wpv s ALA 122 Cb -0.06 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1wpv s ALA 122 CO -0.00 0.29 -0.11 0.08 0.00 0.00 0.00 175.76 176.02 1wpv s VAL 123 N 0.16 2.61 -0.07 0.00 1.01 0.55 -1.42 120.40 123.25 1wpv s VAL 123 Ca -0.09 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1wpv s VAL 123 Cb -0.14 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1wpv s VAL 123 CO 0.05 0.34 -0.19 -0.44 0.00 0.00 0.00 175.10 174.85 1wpv s SER 124 N 1.32 3.56 -0.02 3.32 0.01 0.10 -0.87 113.70 121.13 1wpv s SER 124 Ca 0.02 -0.37 0.06 0.00 1.31 0.00 0.00 55.95 56.97 1wpv s SER 124 Cb -0.15 -0.96 -0.01 0.00 0.21 0.00 0.00 66.02 65.11 1wpv s SER 124 CO -0.07 0.27 -0.19 -0.76 0.41 0.00 0.00 173.24 172.90 1wpv s LEU 125 N -0.28 2.02 -0.15 2.44 1.43 0.91 -1.09 118.68 123.96 1wpv s LEU 125 Ca 0.01 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 1wpv s LEU 125 Cb -0.13 -0.96 0.04 0.00 0.03 0.00 0.00 46.19 45.17 1wpv s LEU 125 CO 0.03 0.22 0.39 -0.47 0.23 0.00 0.00 176.35 176.75 1wpv s TYR 126 N -0.38 -0.46 -0.07 0.29 5.04 -0.60 -1.66 117.35 119.51 1wpv s TYR 126 Ca 0.06 1.08 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 1wpv s TYR 126 Cb -0.08 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.40 1wpv s TYR 126 CO -0.00 -0.23 0.00 0.41 -1.34 0.00 0.00 175.55 174.38 1wpv n GLY 127 N 3.19 -0.76 3.32 8.97 0.00 -0.91 0.02 105.19 119.02 1wpv n GLY 127 Ca -0.16 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 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 1.63 -0.00 2.61 -4.23 -0.30 -1.00 115.64 110.35 1wpv s THR 128 Ca 0.00 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1wpv s THR 128 Cb 0.00 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.95 1wpv s THR 128 CO 0.00 -0.52 0.00 -0.51 -0.54 0.00 0.00 174.62 173.05 1wpv s ILE 129 N -2.66 0.03 -0.37 2.99 2.07 -0.28 -1.53 121.20 121.45 1wpv s ILE 129 Ca 0.18 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 1wpv s ILE 129 Cb -0.02 -0.06 0.00 0.00 0.13 0.00 0.00 42.46 42.51 1wpv s ILE 129 CO 0.06 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 1wpv n GLY 130 N 3.30 -0.69 3.69 1.50 0.00 -0.64 -1.97 105.19 110.37 1wpv n GLY 130 Ca -0.15 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 1.29 -1.05 4.61 0.00 -0.26 -0.57 121.76 124.79 1wpv s ALA 131 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.01 1wpv s ALA 131 Cb 0.00 -3.21 0.38 0.00 0.00 0.00 0.00 23.12 20.29 1wpv s ALA 131 CO 0.00 -2.57 1.27 -2.30 0.00 0.00 0.00 175.76 172.16 1wpv n PRO 132 N -4.04 0.01 -3.35 0.00 -0.02 -1.26 -4.56 135.00 121.78 1wpv n PRO 132 Ca 0.07 0.33 -0.38 0.00 -2.02 0.00 0.00 63.50 61.51 1wpv n PRO 132 Cb 0.55 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.47 1wpv n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wpv s ILE 133 N -2.95 5.21 0.31 4.25 1.01 -1.26 -5.04 121.20 122.72 1wpv s ILE 133 Ca 0.05 0.88 -0.29 0.00 0.00 0.00 0.00 60.65 61.28 1wpv s ILE 133 Cb 0.06 -3.78 -0.13 0.00 0.01 0.00 0.00 42.46 38.62 1wpv s ILE 133 CO 0.16 0.33 1.29 1.17 0.00 0.00 0.00 174.94 177.89 1wpv n LYS 134 N 3.72 2.03 0.00 2.79 4.81 -1.26 -2.57 118.16 127.68 1wpv n LYS 134 Ca -0.08 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1wpv n LYS 134 Cb 0.52 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.27 1wpv n LYS 134 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wpv n GLY 135 N 1.15 2.89 3.58 3.14 0.00 -1.26 -4.95 105.19 109.74 1wpv n GLY 135 Ca 0.07 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 1wpv n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wpv s LEU 136 N 0.00 3.82 0.11 0.99 1.43 -1.06 -4.85 118.68 119.12 1wpv s LEU 136 Ca 0.00 -2.34 -0.26 0.00 -1.03 0.00 0.00 54.13 50.50 1wpv s LEU 136 Cb 0.00 -2.58 0.08 0.00 0.03 0.00 0.00 46.19 43.72 1wpv s LEU 136 CO 0.00 -1.20 1.01 -1.83 0.23 0.00 0.00 176.35 174.55 1wpv s GLU 137 N 4.28 1.03 0.28 1.70 -1.05 -1.26 -1.10 118.70 122.58 1wpv s GLU 137 Ca 0.53 -0.56 0.03 0.00 -0.15 0.00 0.00 54.97 54.82 1wpv s GLU 137 Cb 0.03 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 34.05 1wpv s GLU 137 CO 0.06 -0.47 0.19 -3.38 0.95 0.00 0.00 175.26 172.61 1wpv s HIS 138 N -3.13 1.51 0.77 4.83 -3.43 -0.83 -4.96 115.29 110.04 1wpv s HIS 138 Ca 0.12 -1.47 -0.11 0.00 -0.80 0.00 0.00 55.06 52.80 1wpv s HIS 138 Cb -0.00 -0.71 0.05 0.00 -1.43 0.00 0.00 32.58 30.48 1wpv s HIS 138 CO 0.00 -0.68 1.09 -1.21 -2.00 0.00 0.00 174.74 171.94 1wpv s GLU 139 N -3.80 2.32 -0.01 -0.38 2.02 -1.26 -1.12 118.70 116.47 1wpv s GLU 139 Ca 0.38 1.10 -0.07 0.00 0.02 0.00 0.00 54.97 56.41 1wpv s GLU 139 Cb 0.05 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.37 1wpv s GLU 139 CO 0.19 -1.58 0.14 -0.08 0.02 0.00 0.00 175.26 173.95 1wpv s THR 140 N -2.94 0.07 0.00 3.63 -1.32 -0.17 -4.63 115.64 110.29 1wpv s THR 140 Ca 0.61 -0.60 -0.08 0.00 -1.21 0.00 0.00 61.69 60.41 1wpv s THR 140 Cb -0.17 -0.41 0.00 0.00 -1.51 0.00 0.00 72.50 70.42 1wpv s THR 140 CO 0.56 -0.33 0.14 0.12 -2.21 0.00 0.00 174.62 172.90 1wpv s PHE 141 N -1.20 0.04 -0.28 9.09 5.36 -1.26 -2.13 117.98 127.59 1wpv s PHE 141 Ca -0.13 -0.13 -0.19 0.00 -0.96 0.00 0.00 56.93 55.52 1wpv s PHE 141 Cb -0.07 -0.04 0.12 0.00 -0.34 0.00 0.00 43.02 42.69 1wpv s PHE 141 CO 0.01 -0.29 0.90 0.20 -1.46 0.00 0.00 175.22 174.59 1wpv s GLY 142 N -1.40 -0.24 -0.07 13.12 0.00 -0.66 -2.38 107.32 115.69 1wpv s GLY 142 Ca -0.15 2.74 -0.00 0.00 0.00 0.00 0.00 44.72 47.31 1wpv s GLY 142 CO 0.02 2.25 -0.04 0.14 0.00 0.00 0.00 173.10 175.47 1wpv s VAL 143 N 0.99 0.63 -0.08 1.40 1.01 -1.26 -0.06 120.40 123.03 1wpv s VAL 143 Ca -0.05 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1wpv s VAL 143 Cb -0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 1wpv s VAL 143 CO -0.12 0.28 -0.24 -0.83 0.00 0.00 0.00 175.10 174.19 1wpv s GLY 144 N 1.54 1.31 -0.04 4.51 0.00 -0.04 -4.30 107.32 110.30 1wpv s GLY 144 Ca -0.01 -1.00 0.05 0.00 0.00 0.00 0.00 44.72 43.76 1wpv s GLY 144 CO -0.04 -0.48 -0.19 -0.42 0.00 0.00 0.00 173.10 171.97 1wpv s ILE 145 N 0.10 1.56 0.10 0.90 1.01 -1.26 -0.33 121.20 123.28 1wpv s ILE 145 Ca -0.11 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 1wpv s ILE 145 Cb -0.16 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.00 1wpv s ILE 145 CO 0.06 0.44 0.24 0.21 0.00 0.00 0.00 174.94 175.89 1wpv s ASN 146 N -0.16 0.04 0.41 3.58 2.47 -0.28 -4.88 114.94 116.12 1wpv s ASN 146 Ca 0.00 -0.58 -0.17 0.00 0.42 0.00 0.00 52.86 52.52 1wpv s ASN 146 Cb -0.10 0.37 -0.09 0.00 -1.45 0.00 0.00 41.25 39.97 1wpv s ASN 146 CO 0.01 -0.76 0.87 -1.38 -3.72 0.00 0.00 177.10 172.12 1wpv s HIS 147 N -3.85 3.37 0.00 0.43 -3.43 -1.26 0.26 115.29 110.81 1wpv s HIS 147 Ca 0.05 1.40 0.00 0.00 -0.80 0.00 0.00 55.06 55.71 1wpv s HIS 147 Cb 0.04 -2.70 0.00 0.00 -1.43 0.00 0.00 32.58 28.50 1wpv s HIS 147 CO -0.11 -0.08 0.00 1.51 -2.00 0.00 0.00 174.74 174.06