#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 4.38 -0.22 -4.42 1.43 -1.26 -1.10 118.68 117.49 1wpv s LEU 3 Ca 0.00 2.53 -0.29 0.00 -1.03 0.00 0.00 54.13 55.34 1wpv s LEU 3 Cb 0.00 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.61 1wpv s LEU 3 CO 0.00 -0.70 1.19 -2.28 0.23 0.00 0.00 176.35 174.79 1wpv s HIS 4 N 0.60 2.99 0.43 0.29 5.65 0.11 -4.73 115.29 120.63 1wpv s HIS 4 Ca 0.63 1.13 0.26 0.00 0.25 0.00 0.00 55.06 57.33 1wpv s HIS 4 Cb -0.40 -3.51 1.29 0.00 -1.18 0.00 0.00 32.58 28.78 1wpv s HIS 4 CO 0.36 -1.28 1.70 1.57 -0.65 0.00 0.00 174.74 176.44 1wpv h LYS 5 N 8.14 0.21 -0.27 2.88 -0.00 -1.92 0.33 116.57 125.93 1wpv h LYS 5 Ca -0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.40 1wpv h LYS 5 Cb 1.09 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.27 1wpv h LYS 5 CO 0.99 0.14 0.00 0.39 -0.00 0.00 0.00 179.45 180.97 1wpv n GLU 6 N -4.61 2.11 -1.72 0.07 -0.58 -1.26 -4.25 120.64 110.40 1wpv n GLU 6 Ca 0.31 -1.67 -0.02 0.00 -0.42 0.00 0.00 57.16 55.36 1wpv n GLU 6 Cb 1.18 -1.45 0.07 0.00 -0.57 0.00 0.00 31.44 30.67 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 0.90 1.52 -2.35 3.49 1.74 0.12 -5.00 116.66 117.08 1wpv n ARG 7 Ca 0.17 -3.12 -0.36 0.00 -0.77 0.00 0.00 57.85 53.77 1wpv n ARG 7 Cb 0.46 -1.24 -0.04 0.00 -1.02 0.00 0.00 32.46 30.63 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 -2.44 3.12 0.29 5.56 0.52 -1.16 -4.19 118.95 120.64 1wpv s ARG 8 Ca 0.37 -0.56 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 1wpv s ARG 8 Cb 0.37 -5.00 0.69 0.00 0.52 0.00 0.00 34.95 31.53 1wpv s ARG 8 CO -0.07 -2.62 1.76 0.97 0.02 0.00 0.00 175.30 175.36 1wpv h ILE 9 N 6.84 0.67 0.37 1.52 2.10 -1.91 -0.19 117.51 126.91 1wpv h ILE 9 Ca 0.05 -0.23 -0.02 0.00 1.08 0.00 0.00 64.86 65.75 1wpv h ILE 9 Cb 1.03 -0.05 0.00 0.00 -1.09 0.00 0.00 36.82 36.71 1wpv h ILE 9 CO 1.32 0.12 -0.18 1.23 -1.08 0.00 0.00 178.15 179.56 1wpv h GLY 10 N 0.66 -0.52 0.58 8.18 0.00 -1.98 -0.44 103.07 109.56 1wpv h GLY 10 Ca 0.55 0.19 0.08 0.00 0.00 0.00 0.00 47.33 48.15 1wpv h GLY 10 CO -0.40 -0.19 0.38 -0.09 0.00 0.00 0.00 176.54 176.24 1wpv h ARG 11 N -0.72 0.66 -0.61 4.80 2.43 -1.88 -1.65 114.38 117.41 1wpv h ARG 11 Ca -0.05 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 1wpv h ARG 11 Cb 0.50 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1wpv h ARG 11 CO 0.08 0.44 0.11 -0.07 -1.51 0.00 0.00 179.97 179.02 1wpv h LEU 12 N 0.68 0.92 -0.56 3.80 3.38 -0.95 -1.35 115.31 121.22 1wpv h LEU 12 Ca 0.33 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 1wpv h LEU 12 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1wpv h LEU 12 CO -0.22 0.92 -0.34 0.77 0.09 0.00 0.00 178.44 179.66 1wpv h SER 13 N 0.92 0.82 0.12 -0.43 4.64 -0.42 -1.71 113.55 117.49 1wpv h SER 13 Ca 0.19 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1wpv h SER 13 Cb 0.38 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1wpv h SER 13 CO 0.01 1.08 -0.06 0.58 -0.87 0.00 0.00 176.83 177.57 1wpv h VAL 14 N 0.66 1.07 -0.99 0.95 2.07 -1.17 -2.47 116.25 116.36 1wpv h VAL 14 Ca 0.07 -0.90 0.17 0.00 0.82 0.00 0.00 66.70 66.85 1wpv h VAL 14 Cb 0.88 1.62 -0.09 0.00 -1.52 0.00 0.00 31.29 32.18 1wpv h VAL 14 CO 0.08 0.21 0.62 -0.07 0.02 0.00 0.00 177.57 178.43 1wpv h LEU 15 N -0.59 0.80 -0.97 2.57 4.07 -1.25 0.26 115.31 120.19 1wpv h LEU 15 Ca -0.02 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 1wpv h LEU 15 Cb 0.47 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.10 1wpv h LEU 15 CO 0.03 0.34 0.14 0.25 -1.08 0.00 0.00 178.44 178.12 1wpv h LEU 16 N 0.81 0.83 -0.17 1.67 5.85 -1.24 -2.90 115.31 120.16 1wpv h LEU 16 Ca 0.54 -0.16 -0.23 0.00 0.84 0.00 0.00 57.88 58.87 1wpv h LEU 16 Cb 0.78 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1wpv h LEU 16 CO -0.32 0.82 -0.94 0.25 -0.34 0.00 0.00 178.44 177.91 1wpv h LEU 17 N 0.86 0.57 -1.35 2.25 5.85 -0.18 -3.18 115.31 120.12 1wpv h LEU 17 Ca 0.19 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1wpv h LEU 17 Cb 0.31 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1wpv h LEU 17 CO -0.00 1.25 0.00 0.18 -0.34 0.00 0.00 178.44 179.52 1wpv n LEU 18 N -3.76 1.79 -4.87 2.25 4.77 0.58 -4.84 117.00 112.91 1wpv n LEU 18 Ca -0.07 -0.90 -0.37 0.00 -0.03 0.00 0.00 56.01 54.64 1wpv n LEU 18 Cb 0.83 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1wpv n LEU 18 CO 0.51 0.31 -0.12 0.20 -1.33 0.00 0.00 177.39 176.97 1wpv s ASN 19 N -0.36 6.47 -0.33 -1.43 0.02 -1.11 -5.02 114.94 113.17 1wpv s ASN 19 Ca 0.12 0.56 0.16 0.00 -1.02 0.00 0.00 52.86 52.67 1wpv s ASN 19 Cb 0.08 -2.10 0.46 0.00 0.02 0.00 0.00 41.25 39.71 1wpv s ASN 19 CO 0.04 0.38 1.02 -0.62 0.02 0.00 0.00 177.10 177.95 1wpv n GLU 20 N 1.87 1.79 -3.83 -0.60 1.02 -1.26 -5.04 120.64 114.59 1wpv n GLU 20 Ca -0.18 -3.57 -0.36 0.00 -0.02 0.00 0.00 57.16 53.02 1wpv n GLU 20 Cb 0.54 -1.54 -0.13 0.00 -0.02 0.00 0.00 31.44 30.29 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 -3.34 2.94 0.43 0.62 0.00 -1.26 -4.97 121.76 116.18 1wpv s ALA 21 Ca 0.32 -1.61 0.26 0.00 0.00 0.00 0.00 51.96 50.94 1wpv s ALA 21 Cb 0.42 -2.05 1.32 0.00 0.00 0.00 0.00 23.12 22.81 1wpv s ALA 21 CO -0.02 -1.10 1.69 0.93 0.00 0.00 0.00 175.76 177.26 1wpv h GLU 22 N 8.14 0.19 -2.40 0.00 4.39 -2.07 -2.26 114.58 120.57 1wpv h GLU 22 Ca -0.27 -0.01 -0.60 0.00 0.34 0.00 0.00 59.36 58.82 1wpv h GLU 22 Cb 1.10 -0.04 -0.41 0.00 -0.10 0.00 0.00 28.75 29.29 1wpv h GLU 22 CO 0.58 0.12 -0.68 -0.85 -1.16 0.00 0.00 179.01 177.02 1wpv n GLU 23 N -4.62 1.95 0.01 2.33 -0.00 -1.26 -4.87 120.64 114.19 1wpv n GLU 23 Ca 0.32 -4.33 -0.22 0.00 -0.00 0.00 0.00 57.16 52.93 1wpv n GLU 23 Cb 1.22 -2.08 -0.14 0.00 -0.00 0.00 0.00 31.44 30.44 1wpv n GLU 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1wpv h SER 24 N 4.54 0.44 -0.32 -1.84 0.87 -1.83 -3.48 113.55 111.93 1wpv h SER 24 Ca 0.17 -0.94 -0.14 0.00 -1.23 0.00 0.00 61.79 59.65 1wpv h SER 24 Cb 0.73 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.49 1wpv h SER 24 CO 0.73 1.84 -0.12 0.41 -0.53 0.00 0.00 176.83 179.15 1wpv n THR 25 N -3.53 0.00 -0.13 2.23 -1.04 -1.26 -4.89 114.28 105.65 1wpv n THR 25 Ca -0.31 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.60 1wpv n THR 25 Cb 1.04 -0.99 -0.01 0.00 -1.82 0.00 0.00 70.33 68.55 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 0.18 0.64 0.12 -2.82 4.20 -1.96 -0.90 115.11 114.58 1wpv h GLN 26 Ca -0.14 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1wpv h GLN 26 Cb 0.64 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1wpv h GLN 26 CO 0.20 0.68 -0.09 0.28 -0.67 0.00 0.00 178.83 179.23 1wpv h VAL 27 N 0.49 0.79 -0.87 -0.54 2.07 -1.99 0.12 116.25 116.33 1wpv h VAL 27 Ca 0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1wpv h VAL 27 Cb 0.35 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1wpv h VAL 27 CO 0.01 0.00 0.47 -0.33 0.02 0.00 0.00 177.57 177.73 1wpv h GLU 28 N -0.22 1.22 -0.51 1.57 3.07 -1.96 0.41 114.58 118.15 1wpv h GLU 28 Ca -0.00 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 58.65 1wpv h GLU 28 Cb 0.20 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1wpv h GLU 28 CO -0.01 0.90 0.08 1.05 -1.40 0.00 0.00 179.01 179.62 1wpv h GLU 29 N 1.22 0.79 -0.25 2.33 4.11 -0.78 0.04 114.58 122.04 1wpv h GLU 29 Ca 0.30 -0.18 -0.20 0.00 0.07 0.00 0.00 59.36 59.36 1wpv h GLU 29 Cb 0.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1wpv h GLU 29 CO -0.05 0.75 -0.61 -0.07 0.07 0.00 0.00 179.01 179.10 1wpv h LEU 30 N 0.76 0.96 -1.13 3.06 3.38 -0.13 -2.89 115.31 119.32 1wpv h LEU 30 Ca 0.16 -0.55 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 1wpv h LEU 30 Cb 0.35 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1wpv h LEU 30 CO 0.01 1.35 -0.19 -0.33 0.09 0.00 0.00 178.44 179.37 1wpv h GLU 31 N 0.63 0.39 0.00 1.13 5.08 -0.49 -1.64 114.58 119.68 1wpv h GLU 31 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1wpv h GLU 31 Cb 1.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1wpv h GLU 31 CO 0.13 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 1wpv h ARG 32 N 0.35 0.00 -0.57 2.33 3.08 -0.96 -2.36 114.38 116.26 1wpv h ARG 32 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1wpv h ARG 32 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1wpv h ARG 32 CO 0.03 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.68 1wpv n ASP 33 N -2.32 3.11 0.00 7.04 8.00 -0.70 -4.92 116.55 126.76 1wpv n ASP 33 Ca 0.04 -2.03 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1wpv n ASP 33 Cb 0.33 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 1.36 0.64 3.84 0.44 0.00 -0.89 -5.07 105.19 105.51 1wpv n GLY 34 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.47 3.56 -0.22 1.61 0.52 -0.72 -4.80 118.94 116.41 1wpv s TRP 35 Ca 0.00 1.16 -0.12 0.00 0.02 0.00 0.00 56.10 57.17 1wpv s TRP 35 Cb 0.00 -2.46 -0.05 0.00 -1.15 0.00 0.00 33.47 29.81 1wpv s TRP 35 CO 0.00 0.33 0.22 0.15 0.02 0.00 0.00 176.95 177.67 1wpv s LYS 36 N -2.21 4.11 0.06 4.98 -0.14 -0.54 -3.86 119.74 122.15 1wpv s LYS 36 Ca 0.43 -0.14 0.09 0.00 -1.36 0.00 0.00 55.97 54.99 1wpv s LYS 36 Cb -0.14 -3.53 -0.03 0.00 -1.68 0.00 0.00 37.83 32.45 1wpv s LYS 36 CO 0.20 0.06 -0.24 0.08 -0.76 0.00 0.00 175.35 174.69 1wpv s VAL 37 N 1.05 1.95 -0.04 3.17 1.01 -1.26 -1.62 120.40 124.67 1wpv s VAL 37 Ca 0.11 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 60.68 1wpv s VAL 37 Cb -0.14 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1wpv s VAL 37 CO 0.05 0.24 0.08 0.00 0.00 0.00 0.00 175.10 175.46 1wpv s LEU 39 N 0.73 2.19 0.19 0.00 1.43 -1.26 -1.08 118.68 120.89 1wpv s LEU 39 Ca -0.06 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 52.33 1wpv s LEU 39 Cb -0.08 -0.59 0.07 0.00 0.03 0.00 0.00 46.19 45.62 1wpv s LEU 39 CO -0.03 0.01 0.98 -0.83 0.23 0.00 0.00 176.35 176.72 1wpv s GLY 40 N -1.24 -0.00 0.02 -3.19 0.00 -0.68 -5.01 107.32 97.23 1wpv s GLY 40 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1wpv s GLY 40 CO 0.01 1.17 -0.03 0.54 0.00 0.00 0.00 173.10 174.79 1wpv s LYS 41 N -2.63 0.32 -0.26 2.90 1.02 -1.26 -0.76 119.74 119.07 1wpv s LYS 41 Ca 0.17 -0.62 -0.20 0.00 0.02 0.00 0.00 55.97 55.34 1wpv s LYS 41 Cb -0.02 0.09 0.07 0.00 -0.52 0.00 0.00 37.83 37.45 1wpv s LYS 41 CO 0.05 -0.04 0.68 0.54 -0.92 0.00 0.00 175.35 175.65 1wpv s VAL 42 N -1.47 -0.00 -0.08 3.17 0.11 0.33 -4.99 120.40 117.47 1wpv s VAL 42 Ca -0.16 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 1wpv s VAL 42 Cb -0.10 -0.96 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1wpv s VAL 42 CO -0.01 0.00 -0.15 -0.83 -3.33 0.00 0.00 175.10 170.78 1wpv s GLY 43 N 0.89 0.94 0.01 6.54 0.00 -1.26 -0.45 107.32 113.99 1wpv s GLY 43 Ca -0.04 -0.58 -0.29 0.00 0.00 0.00 0.00 44.72 43.81 1wpv s GLY 43 CO -0.08 0.08 1.10 -1.35 0.00 0.00 0.00 173.10 172.85 1wpv s SER 44 N 0.70 -0.16 0.00 1.64 1.04 -0.68 -4.99 113.70 111.25 1wpv s SER 44 Ca -0.13 -0.18 0.16 0.00 0.48 0.00 0.00 55.95 56.28 1wpv s SER 44 Cb -0.16 0.30 0.36 0.00 0.10 0.00 0.00 66.02 66.62 1wpv s SER 44 CO 0.03 -0.54 1.28 0.23 0.98 0.00 0.00 173.24 175.22 1wpv n MET 45 N -0.37 2.36 -4.06 4.02 2.81 -1.26 -1.83 117.12 118.79 1wpv n MET 45 Ca -0.06 -2.08 -0.32 0.00 -1.81 0.00 0.00 57.70 53.43 1wpv n MET 45 Cb 0.61 -1.38 -0.16 0.00 -0.71 0.00 0.00 33.22 31.58 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 -1.12 3.34 0.40 7.83 1.01 -1.26 -0.10 116.67 126.76 1wpv s ASP 46 Ca 0.30 -0.81 0.07 0.00 0.71 0.00 0.00 52.55 52.83 1wpv s ASP 46 Cb 0.17 -1.38 0.84 0.00 1.01 0.00 0.00 42.92 43.56 1wpv s ASP 46 CO 0.23 -0.08 2.02 0.00 0.21 0.00 0.00 175.17 177.55 1wpv h ALA 47 N 7.94 1.74 0.00 5.23 0.00 -1.93 -1.64 119.26 130.60 1wpv h ALA 47 Ca -0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1wpv h ALA 47 Cb 1.11 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1wpv h ALA 47 CO 0.55 0.20 -0.09 1.12 0.00 0.00 0.00 179.25 181.03 1wpv h HIS 48 N 0.61 0.00 0.01 0.00 2.07 -1.98 -0.72 115.15 115.15 1wpv h HIS 48 Ca 0.22 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.54 1wpv h HIS 48 Cb 0.10 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.07 1wpv h HIS 48 CO -0.00 0.09 -0.89 0.87 -3.07 0.00 0.00 177.93 174.93 1wpv h LYS 49 N 0.00 0.09 -0.15 5.12 1.57 -1.73 -1.57 116.57 119.91 1wpv h LYS 49 Ca -0.00 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1wpv h LYS 49 Cb 0.23 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1wpv h LYS 49 CO 0.01 0.92 -0.12 0.28 -0.57 0.00 0.00 179.45 179.97 1wpv h VAL 50 N 0.05 1.34 -0.60 0.50 2.07 -1.20 -0.93 116.25 117.47 1wpv h VAL 50 Ca -0.03 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 1wpv h VAL 50 Cb 1.54 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.12 1wpv h VAL 50 CO 0.13 0.36 0.38 0.40 0.02 0.00 0.00 177.57 178.86 1wpv h ILE 51 N -0.02 1.17 -0.53 4.57 2.04 -1.17 -2.44 117.51 121.12 1wpv h ILE 51 Ca 0.03 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1wpv h ILE 51 Cb 0.63 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1wpv h ILE 51 CO 0.03 0.17 0.09 0.00 0.00 0.00 0.00 178.15 178.44 1wpv h ALA 52 N 1.20 0.70 -0.50 1.87 0.00 -1.23 -1.97 119.26 119.33 1wpv h ALA 52 Ca 0.22 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1wpv h ALA 52 Cb -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1wpv h ALA 52 CO -0.04 0.44 0.31 0.00 0.00 0.00 0.00 179.25 179.95 1wpv h ALA 53 N 0.98 0.64 -0.40 0.00 0.00 -0.94 0.30 119.26 119.85 1wpv h ALA 53 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1wpv h ALA 53 Cb 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1wpv h ALA 53 CO 0.01 0.02 0.16 0.82 0.00 0.00 0.00 179.25 180.26 1wpv h ILE 54 N 0.61 1.20 -0.38 0.00 2.04 -1.30 -0.18 117.51 119.50 1wpv h ILE 54 Ca 0.20 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1wpv h ILE 54 Cb 0.00 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1wpv h ILE 54 CO -0.08 0.22 0.16 -0.08 0.00 0.00 0.00 178.15 178.36 1wpv h GLU 55 N 0.51 0.56 -0.21 2.37 4.81 -1.09 0.44 114.58 121.97 1wpv h GLU 55 Ca 0.13 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1wpv h GLU 55 Cb 0.19 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1wpv h GLU 55 CO -0.01 0.53 0.11 1.15 -0.73 0.00 0.00 179.01 180.06 1wpv h THR 56 N 0.46 1.12 -0.66 0.32 2.02 -0.79 -1.62 112.91 113.76 1wpv h THR 56 Ca 0.13 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1wpv h THR 56 Cb 0.18 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1wpv h THR 56 CO -0.01 0.11 0.26 0.00 0.37 0.00 0.00 175.52 176.25 1wpv h ALA 57 N 0.99 0.86 -0.69 6.16 0.00 -0.90 -1.33 119.26 124.34 1wpv h ALA 57 Ca 0.07 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1wpv h ALA 57 Cb 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1wpv h ALA 57 CO -0.01 0.48 0.20 0.77 0.00 0.00 0.00 179.25 180.69 1wpv h SER 58 N 0.93 1.01 0.06 0.00 0.02 -0.72 -1.68 113.55 113.17 1wpv h SER 58 Ca 0.22 -0.19 -0.24 0.00 -0.84 0.00 0.00 61.79 60.73 1wpv h SER 58 Cb 0.22 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.50 1wpv h SER 58 CO -0.02 0.95 -0.94 0.11 -1.14 0.00 0.00 176.83 175.79 1wpv h LYS 59 N 1.03 0.64 -0.23 3.45 1.57 -1.15 -0.44 116.57 121.44 1wpv h LYS 59 Ca 0.22 -0.64 -0.09 0.00 -1.87 0.00 0.00 60.65 58.28 1wpv h LYS 59 Cb 0.32 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1wpv h LYS 59 CO -0.00 1.24 -0.24 0.87 -0.57 0.00 0.00 179.45 180.75 1wpv h LYS 60 N 0.39 0.42 -0.00 3.15 6.56 -1.15 -2.86 116.57 123.08 1wpv h LYS 60 Ca -0.09 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 1wpv h LYS 60 Cb 1.58 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.21 1wpv h LYS 60 CO 0.18 0.64 -0.23 -1.13 -2.06 0.00 0.00 179.45 176.85 1wpv n SER 61 N -4.14 0.24 0.00 0.86 3.41 -0.64 -4.93 113.62 108.43 1wpv n SER 61 Ca -0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1wpv n SER 61 Cb 0.39 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 1.49 0.69 0.28 5.00 0.00 -1.07 -4.91 105.19 106.68 1wpv n GLY 62 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 1.24 -3.99 1.61 2.07 -1.35 -3.44 116.25 112.39 1wpv h VAL 63 Ca 0.00 -0.99 -0.20 0.00 0.82 0.00 0.00 66.70 66.33 1wpv h VAL 63 Cb 0.00 0.90 -0.20 0.00 -1.52 0.00 0.00 31.29 30.47 1wpv h VAL 63 CO 0.00 0.35 -0.71 0.27 0.02 0.00 0.00 177.57 177.50 1wpv s ILE 64 N -4.97 0.30 0.39 4.57 -4.36 -1.12 -4.88 121.20 111.14 1wpv s ILE 64 Ca -0.09 -1.13 -0.27 0.00 -0.26 0.00 0.00 60.65 58.89 1wpv s ILE 64 Cb 0.15 -0.61 -0.10 0.00 1.25 0.00 0.00 42.46 43.15 1wpv s ILE 64 CO 0.81 -0.54 1.46 -1.10 0.24 0.00 0.00 174.94 175.81 1wpv s GLN 65 N -1.93 4.01 0.09 0.37 -0.21 -1.26 -4.38 119.66 116.35 1wpv s GLN 65 Ca -0.10 2.52 0.02 0.00 0.02 0.00 0.00 55.36 57.82 1wpv s GLN 65 Cb -0.07 -2.89 -0.24 0.00 1.00 0.00 0.00 33.01 30.81 1wpv s GLN 65 CO -0.02 -0.59 1.18 0.77 -2.12 0.00 0.00 175.29 174.51 1wpv h SER 66 N 2.84 0.19 -3.37 5.90 0.02 -1.96 -3.43 113.55 113.75 1wpv h SER 66 Ca -0.51 -0.21 -0.50 0.00 -0.84 0.00 0.00 61.79 59.74 1wpv h SER 66 Cb 1.25 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.74 1wpv h SER 66 CO 0.63 1.16 -0.01 -1.83 -1.14 0.00 0.00 176.83 175.65 1wpv s GLU 67 N -2.68 3.61 0.00 3.45 4.04 -1.26 -4.96 118.70 120.90 1wpv s GLU 67 Ca -0.02 0.11 0.00 0.00 0.04 0.00 0.00 54.97 55.11 1wpv s GLU 67 Cb 0.09 -2.50 0.00 0.00 0.02 0.00 0.00 34.13 31.73 1wpv s GLU 67 CO 0.85 0.01 0.00 0.41 -1.84 0.00 0.00 175.26 174.69 1wpv n GLY 68 N -1.60 -2.02 0.12 -3.83 0.00 -1.26 -4.84 105.19 91.76 1wpv n GLY 68 Ca -0.01 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.29 0.00 -0.28 1.61 9.36 -1.26 -4.59 117.16 119.71 1wpv n TYR 69 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1wpv n TYR 69 Cb 0.00 -0.93 -0.07 0.00 -0.63 0.00 0.00 39.34 37.71 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 -3.16 -0.29 0.04 2.98 0.63 -1.26 0.26 116.66 115.85 1wpv n ARG 70 Ca -0.42 1.02 -0.06 0.00 -0.92 0.00 0.00 57.85 57.47 1wpv n ARG 70 Cb 0.97 -1.50 0.12 0.00 0.45 0.00 0.00 32.46 32.51 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 0.42 -0.61 -0.14 5.08 -1.88 -1.64 114.58 115.81 1wpv h GLU 71 Ca 0.11 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1wpv h GLU 71 Cb 0.27 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1wpv h GLU 71 CO -0.62 0.81 0.13 0.77 -1.00 0.00 0.00 179.01 179.10 1wpv h SER 72 N 0.33 0.91 -0.32 1.42 0.02 -1.19 -0.59 113.55 114.13 1wpv h SER 72 Ca 0.02 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 1wpv h SER 72 Cb 0.97 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1wpv h SER 72 CO 0.08 0.89 0.04 -0.74 -1.14 0.00 0.00 176.83 175.97 1wpv h HIS 73 N 0.91 0.57 -0.59 3.45 -0.00 0.10 0.60 115.15 120.20 1wpv h HIS 73 Ca 0.19 -0.08 0.02 0.00 -0.00 0.00 0.00 60.37 60.50 1wpv h HIS 73 Cb 0.36 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.58 1wpv h HIS 73 CO 0.02 0.62 0.36 0.00 -0.00 0.00 0.00 177.93 178.94 1wpv h ALA 74 N 0.88 0.76 -0.55 5.26 0.00 -0.94 -2.27 119.26 122.39 1wpv h ALA 74 Ca 0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1wpv h ALA 74 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1wpv h ALA 74 CO 0.01 0.11 -0.08 1.25 0.00 0.00 0.00 179.25 180.53 1wpv h LEU 75 N 0.72 1.02 -0.09 0.00 5.85 -0.90 -1.74 115.31 120.17 1wpv h LEU 75 Ca 0.23 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1wpv h LEU 75 Cb 0.00 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 1wpv h LEU 75 CO -0.09 1.12 0.06 0.22 -0.34 0.00 0.00 178.44 179.41 1wpv h TYR 76 N 0.90 0.12 -0.17 1.25 3.20 -0.56 0.18 116.97 121.88 1wpv h TYR 76 Ca 0.15 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.92 1wpv h TYR 76 Cb 0.64 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1wpv h TYR 76 CO 0.05 0.09 -0.33 0.45 -1.64 0.00 0.00 178.16 176.78 1wpv h HIS 77 N 0.11 0.39 -0.57 -3.82 3.86 -1.39 0.94 115.15 114.68 1wpv h HIS 77 Ca 0.03 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.05 1wpv h HIS 77 Cb 0.01 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1wpv h HIS 77 CO -0.07 0.64 -0.05 0.00 0.86 0.00 0.00 177.93 179.32 1wpv h ALA 78 N 1.36 0.77 -0.62 2.45 0.00 -0.96 -0.91 119.26 121.35 1wpv h ALA 78 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1wpv h ALA 78 Cb 0.73 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1wpv h ALA 78 CO 0.06 0.64 0.26 1.15 0.00 0.00 0.00 179.25 181.36 1wpv h THR 79 N 0.92 1.23 -0.44 0.00 2.02 -0.10 -1.12 112.91 115.42 1wpv h THR 79 Ca 0.16 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1wpv h THR 79 Cb 0.61 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1wpv h THR 79 CO 0.04 0.27 0.25 0.24 0.37 0.00 0.00 175.52 176.69 1wpv h MET 80 N 0.85 0.62 -0.74 6.66 2.86 -0.56 -0.38 114.93 124.25 1wpv h MET 80 Ca 0.21 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1wpv h MET 80 Cb 0.18 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1wpv h MET 80 CO -0.02 0.48 0.33 0.93 1.06 0.00 0.00 176.91 179.69 1wpv h GLU 81 N 0.58 1.07 -0.58 1.72 5.08 -0.83 -2.08 114.58 119.54 1wpv h GLU 81 Ca 0.16 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1wpv h GLU 81 Cb 0.03 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1wpv h GLU 81 CO -0.03 0.84 0.05 0.00 -1.00 0.00 0.00 179.01 178.88 1wpv h ALA 82 N 1.31 0.99 0.00 3.43 0.00 -0.76 -2.50 119.26 121.73 1wpv h ALA 82 Ca 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wpv h ALA 82 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wpv h ALA 82 CO -0.03 0.63 -0.09 -0.07 0.00 0.00 0.00 179.25 179.69 1wpv h LEU 83 N 0.91 0.00 -0.76 0.00 3.38 -0.41 -2.60 115.31 115.83 1wpv h LEU 83 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1wpv h LEU 83 Cb 0.46 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1wpv h LEU 83 CO 0.02 0.09 0.44 0.45 0.09 0.00 0.00 178.44 179.53 1wpv h HIS 84 N 0.00 1.02 -0.09 1.13 3.86 -0.97 0.22 115.15 120.32 1wpv h HIS 84 Ca -0.00 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 1wpv h HIS 84 Cb 0.28 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1wpv h HIS 84 CO 0.00 0.70 -0.33 0.78 0.86 0.00 0.00 177.93 179.94 1wpv h GLY 85 N 1.05 0.19 1.11 2.45 0.00 -1.56 0.28 103.07 106.58 1wpv h GLY 85 Ca 0.27 -0.16 -0.25 0.00 0.00 0.00 0.00 47.33 47.20 1wpv h GLY 85 CO -0.05 0.14 -1.00 -2.08 0.00 0.00 0.00 176.54 173.56 1wpv h VAL 86 N 0.15 1.32 0.00 4.60 2.07 -0.79 -3.37 116.25 120.23 1wpv h VAL 86 Ca 0.02 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.27 1wpv h VAL 86 Cb 0.67 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1wpv h VAL 86 CO 0.05 0.69 -1.30 0.35 0.02 0.00 0.00 177.57 177.38 1wpv n THR 87 N -3.93 0.43 -3.84 2.57 -2.24 0.72 -4.89 114.28 103.11 1wpv n THR 87 Ca -0.12 -0.53 -0.29 0.00 -2.27 0.00 0.00 64.05 60.84 1wpv n THR 87 Cb 0.86 -0.23 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 1wpv n THR 87 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wpv n ARG 88 N -2.54 -1.22 0.00 -0.78 1.74 0.97 -3.76 116.66 111.07 1wpv n ARG 88 Ca -0.01 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 1wpv n ARG 88 Cb 0.55 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 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 -1.76 3.22 3.02 -0.13 0.00 -1.26 -5.03 105.19 103.24 1wpv n GLY 89 Ca -0.26 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 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 2.22 -1.57 1.61 0.41 -1.25 -5.02 118.70 115.10 1wpv s GLU 90 Ca 0.00 -0.73 -0.10 0.00 -0.41 0.00 0.00 54.97 53.73 1wpv s GLU 90 Cb 0.00 -2.30 -0.05 0.00 -1.78 0.00 0.00 34.13 30.00 1wpv s GLU 90 CO 0.00 -0.33 2.80 -0.12 -0.49 0.00 0.00 175.26 177.12 1wpv n MET 91 N 4.71 3.72 -4.16 1.61 1.56 -1.26 -4.77 117.12 118.53 1wpv n MET 91 Ca -0.16 -2.41 -0.15 0.00 -0.27 0.00 0.00 57.70 54.70 1wpv n MET 91 Cb 0.48 -2.84 -0.13 0.00 2.15 0.00 0.00 33.22 32.88 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 0.12 2.12 0.00 -0.89 1.43 -1.26 -4.96 118.68 115.24 1wpv s LEU 92 Ca 0.65 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1wpv s LEU 92 Cb 0.17 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 46.11 1wpv s LEU 92 CO -0.07 -0.03 0.00 0.18 0.23 0.00 0.00 176.35 176.66 1wpv n LEU 93 N 2.28 0.00 -0.33 1.79 4.77 -1.26 -4.71 117.00 119.54 1wpv n LEU 93 Ca -0.17 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.92 1wpv n LEU 93 Cb 0.56 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.95 1wpv n LEU 93 CO 0.23 0.00 1.16 1.23 -1.33 0.00 0.00 177.39 178.68 1wpv h GLY 94 N 0.00 1.66 2.00 -0.72 0.00 -0.04 0.72 103.07 106.69 1wpv h GLY 94 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1wpv h GLY 94 CO 0.00 -0.07 0.00 1.48 0.00 0.00 0.00 176.54 177.95 1wpv h SER 95 N 0.70 0.00 -0.24 0.19 4.64 -1.87 0.72 113.55 117.69 1wpv h SER 95 Ca 0.54 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.84 1wpv h SER 95 Cb 0.84 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 1wpv h SER 95 CO -0.39 0.00 -0.01 0.18 -0.87 0.00 0.00 176.83 175.75 1wpv n LEU 96 N -2.59 3.73 -3.70 5.97 4.77 0.16 -4.97 117.00 120.38 1wpv n LEU 96 Ca -0.01 -3.13 -0.24 0.00 -0.03 0.00 0.00 56.01 52.61 1wpv n LEU 96 Cb 0.14 -0.54 0.05 0.00 -2.33 0.00 0.00 43.42 40.73 1wpv n LEU 96 CO 0.18 0.76 0.08 -0.11 -1.33 0.00 0.00 177.39 176.96 1wpv n LEU 97 N -0.72 -3.15 -4.10 2.23 7.94 0.25 -5.00 117.00 114.44 1wpv n LEU 97 Ca 0.22 -0.72 -0.08 0.00 -1.11 0.00 0.00 56.01 54.33 1wpv n LEU 97 Cb 0.88 -2.78 -0.10 0.00 0.53 0.00 0.00 43.42 41.95 1wpv n LEU 97 CO 0.14 0.47 -0.33 0.00 -1.11 0.00 0.00 177.39 176.56 1wpv s ARG 98 N -6.14 0.71 0.10 1.96 1.70 -0.69 -4.42 118.95 112.17 1wpv s ARG 98 Ca 0.32 -1.27 -0.04 0.00 -0.47 0.00 0.00 55.73 54.27 1wpv s ARG 98 Cb -0.15 0.22 -0.03 0.00 -0.57 0.00 0.00 34.95 34.43 1wpv s ARG 98 CO 0.79 -0.16 0.10 -0.08 -1.08 0.00 0.00 175.30 174.87 1wpv s THR 99 N -3.95 0.14 0.13 4.99 -1.32 0.10 -2.23 115.64 113.50 1wpv s THR 99 Ca 0.12 -1.61 0.06 0.00 -1.21 0.00 0.00 61.69 59.05 1wpv s THR 99 Cb 0.08 -1.68 -0.04 0.00 -1.51 0.00 0.00 72.50 69.34 1wpv s THR 99 CO -0.07 -0.64 -0.15 0.68 -2.21 0.00 0.00 174.62 172.24 1wpv s VAL 100 N -3.95 1.45 -0.30 5.08 -7.23 -0.76 -1.22 120.40 113.47 1wpv s VAL 100 Ca 0.13 -1.78 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1wpv s VAL 100 Cb 0.06 -1.62 0.09 0.00 0.56 0.00 0.00 36.38 35.47 1wpv s VAL 100 CO -0.05 -0.41 0.07 -0.83 -0.31 0.00 0.00 175.10 173.58 1wpv s GLY 101 N -2.54 1.19 0.16 2.32 0.00 -0.19 -1.69 107.32 106.57 1wpv s GLY 101 Ca 0.11 -1.71 0.11 0.00 0.00 0.00 0.00 44.72 43.23 1wpv s GLY 101 CO 0.04 1.45 -0.25 1.08 0.00 0.00 0.00 173.10 175.41 1wpv s LEU 102 N 1.51 2.39 0.02 0.66 1.43 0.40 -1.12 118.68 123.97 1wpv s LEU 102 Ca 0.08 -0.80 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1wpv s LEU 102 Cb -0.18 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1wpv s LEU 102 CO -0.20 0.15 -0.11 -0.13 0.23 0.00 0.00 176.35 176.29 1wpv s ARG 103 N -2.34 2.36 0.03 1.70 0.52 0.56 -0.51 118.95 121.27 1wpv s ARG 103 Ca 0.17 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1wpv s ARG 103 Cb -0.09 -2.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.98 1wpv s ARG 103 CO 0.08 0.58 -0.04 -0.59 0.02 0.00 0.00 175.30 175.34 1wpv s PHE 104 N -0.97 0.40 -0.00 -0.53 -0.12 0.06 -1.64 117.98 115.17 1wpv s PHE 104 Ca 0.16 -0.58 0.02 0.00 -0.05 0.00 0.00 56.93 56.48 1wpv s PHE 104 Cb -0.11 -0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 42.01 1wpv s PHE 104 CO 0.07 -0.18 -0.06 0.00 -0.05 0.00 0.00 175.22 174.99 1wpv s ALA 105 N -1.73 0.53 -0.11 1.99 0.00 -0.43 -1.69 121.76 120.32 1wpv s ALA 105 Ca -0.12 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1wpv s ALA 105 Cb -0.08 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1wpv s ALA 105 CO -0.02 0.13 -0.11 0.08 0.00 0.00 0.00 175.76 175.85 1wpv s VAL 106 N -0.18 1.19 0.05 0.00 1.01 -0.24 -0.72 120.40 121.51 1wpv s VAL 106 Ca 0.02 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1wpv s VAL 106 Cb -0.03 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1wpv s VAL 106 CO -0.00 0.39 -0.17 -0.76 0.00 0.00 0.00 175.10 174.55 1wpv s LEU 107 N 1.36 2.67 -0.05 3.92 1.43 -0.35 -1.60 118.68 126.06 1wpv s LEU 107 Ca -0.01 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1wpv s LEU 107 Cb -0.14 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.57 1wpv s LEU 107 CO -0.05 0.24 0.08 -0.60 0.23 0.00 0.00 176.35 176.25 1wpv s ARG 108 N -1.58 -0.05 0.00 1.70 3.00 -0.64 -0.98 118.95 120.41 1wpv s ARG 108 Ca 0.16 0.41 0.00 0.00 -1.00 0.00 0.00 55.73 55.29 1wpv s ARG 108 Cb -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 34.95 34.42 1wpv s ARG 108 CO 0.06 -0.31 0.00 0.41 0.00 0.00 0.00 175.30 175.47 1wpv n GLY 109 N 5.20 -1.61 3.53 8.12 0.00 -0.62 -1.46 105.19 118.35 1wpv n GLY 109 Ca -0.06 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.94 6.16 0.00 1.61 3.84 -1.26 -0.52 114.94 123.84 1wpv s ASN 110 Ca 0.00 -0.38 0.26 0.00 0.21 0.00 0.00 52.86 52.95 1wpv s ASN 110 Cb 0.00 -2.19 0.95 0.00 -0.55 0.00 0.00 41.25 39.46 1wpv s ASN 110 CO 0.00 -0.36 1.68 -0.81 -2.79 0.00 0.00 177.10 174.82 1wpv n PRO 111 N 5.35 1.69 -3.98 0.43 -0.04 -1.26 -4.93 135.00 132.27 1wpv n PRO 111 Ca -0.10 -1.02 -0.21 0.00 -0.04 0.00 0.00 63.50 62.13 1wpv n PRO 111 Cb 0.49 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.93 3.43 0.33 0.54 1.51 -1.26 0.06 117.35 120.03 1wpv s TYR 112 Ca 0.36 -0.02 0.15 0.00 -1.01 0.00 0.00 57.07 56.56 1wpv s TYR 112 Cb 0.20 -1.56 0.78 0.00 -0.11 0.00 0.00 41.96 41.26 1wpv s TYR 112 CO 0.31 0.45 1.82 0.93 -1.11 0.00 0.00 175.55 177.96 1wpv h GLU 113 N 1.25 0.00 -5.59 -0.62 5.08 -1.40 -3.42 114.58 109.87 1wpv h GLU 113 Ca -0.52 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.25 1wpv h GLU 113 Cb 1.23 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.38 1wpv h GLU 113 CO 0.61 0.36 -0.11 0.45 -1.00 0.00 0.00 179.01 179.33 1wpv s SER 114 N -6.74 6.58 0.60 1.42 0.15 -1.26 -4.95 113.70 109.50 1wpv s SER 114 Ca -0.02 0.69 0.36 0.00 0.70 0.00 0.00 55.95 57.69 1wpv s SER 114 Cb 0.13 -2.28 1.91 0.00 -1.71 0.00 0.00 66.02 64.08 1wpv s SER 114 CO 0.70 -0.09 2.21 -0.33 1.20 0.00 0.00 173.24 176.93 1wpv h GLU 115 N 7.17 0.00 0.00 5.44 3.07 -1.97 -2.36 114.58 125.93 1wpv h GLU 115 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 1wpv h GLU 115 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1wpv h GLU 115 CO 0.74 0.03 0.00 0.00 -1.40 0.00 0.00 179.01 178.38 1wpv n ALA 116 N -2.16 1.51 0.60 3.43 0.00 -1.26 -2.07 120.51 120.55 1wpv n ALA 116 Ca -0.02 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1wpv n ALA 116 Cb 0.16 -1.31 0.46 0.00 0.00 0.00 0.00 19.45 18.75 1wpv n ALA 116 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wpv n GLU 117 N -2.02 0.18 0.00 0.00 -0.58 -0.89 -5.00 120.64 112.32 1wpv n GLU 117 Ca 0.02 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1wpv n GLU 117 Cb 0.17 -1.75 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 1wpv n GLU 117 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wpv n GLY 118 N 0.80 -0.46 3.86 0.62 0.00 -0.88 -4.82 105.19 104.31 1wpv n GLY 118 Ca 0.04 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 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 6.72 0.22 1.61 1.01 -1.26 -4.06 116.67 116.91 1wpv s ASP 119 Ca 0.00 1.12 0.03 0.00 0.71 0.00 0.00 52.55 54.42 1wpv s ASP 119 Cb 0.00 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 1wpv s ASP 119 CO 0.00 -0.13 -0.01 0.26 0.21 0.00 0.00 175.17 175.50 1wpv s TRP 120 N -1.87 1.50 -0.01 4.23 0.52 0.33 -1.42 118.94 122.21 1wpv s TRP 120 Ca 0.50 -0.92 0.03 0.00 0.02 0.00 0.00 56.10 55.73 1wpv s TRP 120 Cb -0.11 -0.86 -0.00 0.00 -1.15 0.00 0.00 33.47 31.35 1wpv s TRP 120 CO 0.19 -0.05 -0.09 -1.50 0.02 0.00 0.00 176.95 175.53 1wpv s ILE 121 N -3.44 0.69 -0.11 2.03 2.07 0.76 -1.59 121.20 121.62 1wpv s ILE 121 Ca 0.27 -0.36 0.03 0.00 -1.41 0.00 0.00 60.65 59.18 1wpv s ILE 121 Cb 0.05 -0.59 0.01 0.00 0.13 0.00 0.00 42.46 42.06 1wpv s ILE 121 CO 0.07 0.20 -0.19 0.00 -1.91 0.00 0.00 174.94 173.12 1wpv s ALA 122 N -0.10 1.92 -0.21 1.50 0.00 -0.15 -1.54 121.76 123.19 1wpv s ALA 122 Ca 0.02 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 1wpv s ALA 122 Cb -0.05 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1wpv s ALA 122 CO -0.00 0.07 -0.03 0.08 0.00 0.00 0.00 175.76 175.87 1wpv s VAL 123 N 0.71 3.59 -0.03 0.00 1.01 -0.23 -1.21 120.40 124.24 1wpv s VAL 123 Ca -0.11 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1wpv s VAL 123 Cb -0.16 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 1wpv s VAL 123 CO 0.02 0.43 -0.24 -0.44 0.00 0.00 0.00 175.10 174.87 1wpv s SER 124 N 1.20 2.86 -0.01 3.32 0.01 0.10 -0.91 113.70 120.27 1wpv s SER 124 Ca 0.03 -0.45 0.05 0.00 1.31 0.00 0.00 55.95 56.88 1wpv s SER 124 Cb -0.14 -0.50 -0.01 0.00 0.21 0.00 0.00 66.02 65.57 1wpv s SER 124 CO -0.00 0.27 -0.17 -0.76 0.41 0.00 0.00 173.24 172.99 1wpv s LEU 125 N -0.40 2.04 -0.21 2.44 1.43 0.12 -1.32 118.68 122.78 1wpv s LEU 125 Ca 0.04 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.69 1wpv s LEU 125 Cb -0.11 -0.86 0.06 0.00 0.03 0.00 0.00 46.19 45.32 1wpv s LEU 125 CO 0.01 0.20 0.53 -0.47 0.23 0.00 0.00 176.35 176.85 1wpv s TYR 126 N -0.42 -0.75 0.00 0.29 5.04 -0.65 -1.79 117.35 119.07 1wpv s TYR 126 Ca 0.06 1.60 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 1wpv s TYR 126 Cb -0.07 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.61 1wpv s TYR 126 CO -0.01 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.23 1wpv n GLY 127 N 3.87 -0.84 3.26 8.97 0.00 -0.97 -0.32 105.19 119.16 1wpv n GLY 127 Ca -0.20 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.60 1.45 -0.02 2.61 -4.23 -0.28 -1.42 115.64 110.14 1wpv s THR 128 Ca 0.00 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 1wpv s THR 128 Cb 0.00 -1.61 0.01 0.00 1.34 0.00 0.00 72.50 72.24 1wpv s THR 128 CO 0.00 -0.40 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.14 1wpv s ILE 129 N -2.13 0.37 0.00 2.99 2.07 -0.41 -1.02 121.20 123.05 1wpv s ILE 129 Ca 0.11 -0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1wpv s ILE 129 Cb -0.05 -0.37 0.00 0.00 0.13 0.00 0.00 42.46 42.17 1wpv s ILE 129 CO 0.04 0.15 0.00 0.61 -1.91 0.00 0.00 174.94 173.83 1wpv n GLY 130 N 3.55 0.81 3.71 1.50 0.00 -0.35 -1.83 105.19 112.59 1wpv n GLY 130 Ca -0.20 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 1.59 -2.00 4.61 0.00 -0.37 0.02 121.76 124.61 1wpv s ALA 131 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.09 1wpv s ALA 131 Cb 0.00 -3.23 0.44 0.00 0.00 0.00 0.00 23.12 20.33 1wpv s ALA 131 CO 0.00 -2.33 0.90 -2.30 0.00 0.00 0.00 175.76 172.02 1wpv n PRO 132 N -3.88 0.24 -3.64 0.00 -0.02 -1.26 -4.59 135.00 121.85 1wpv n PRO 132 Ca 0.08 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.19 1wpv n PRO 132 Cb 0.54 -1.49 -0.09 0.00 -0.02 0.00 0.00 33.50 32.45 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 -2.00 5.35 0.33 4.25 1.01 -1.26 -5.06 121.20 123.82 1wpv s ILE 133 Ca 0.11 0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 1wpv s ILE 133 Cb 0.05 -3.53 -0.12 0.00 0.01 0.00 0.00 42.46 38.87 1wpv s ILE 133 CO 0.09 0.35 1.32 2.29 0.00 0.00 0.00 174.94 178.99 1wpv n LYS 134 N 4.13 2.13 0.00 2.79 -0.00 -1.26 -2.22 118.16 123.74 1wpv n LYS 134 Ca -0.14 0.75 0.00 0.00 -0.00 0.00 0.00 58.31 58.92 1wpv n LYS 134 Cb 0.52 -2.35 0.00 0.00 -0.00 0.00 0.00 35.03 33.20 1wpv n LYS 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wpv n GLY 135 N 1.01 2.84 3.51 2.58 0.00 -1.26 -4.95 105.19 108.92 1wpv n GLY 135 Ca 0.06 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 4.54 0.07 0.99 1.43 -0.94 -4.88 118.68 119.89 1wpv s LEU 136 Ca 0.00 -2.65 -0.28 0.00 -1.03 0.00 0.00 54.13 50.17 1wpv s LEU 136 Cb 0.00 -2.47 0.09 0.00 0.03 0.00 0.00 46.19 43.84 1wpv s LEU 136 CO 0.00 -0.96 1.11 -1.83 0.23 0.00 0.00 176.35 174.89 1wpv s GLU 137 N 2.78 0.83 0.29 1.70 -1.05 -1.26 -1.24 118.70 120.75 1wpv s GLU 137 Ca 0.46 -0.46 0.03 0.00 -0.15 0.00 0.00 54.97 54.86 1wpv s GLU 137 Cb -0.00 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.94 1wpv s GLU 137 CO 0.02 -0.38 0.27 -3.38 0.95 0.00 0.00 175.26 172.73 1wpv s HIS 138 N -2.90 1.45 0.67 4.83 -3.43 -0.76 -4.96 115.29 110.20 1wpv s HIS 138 Ca 0.13 -1.51 -0.13 0.00 -0.80 0.00 0.00 55.06 52.75 1wpv s HIS 138 Cb 0.01 -0.56 0.00 0.00 -1.43 0.00 0.00 32.58 30.60 1wpv s HIS 138 CO -0.01 -0.84 1.08 -1.21 -2.00 0.00 0.00 174.74 171.76 1wpv s GLU 139 N -3.63 2.86 -0.09 -0.38 2.02 -1.26 -1.29 118.70 116.93 1wpv s GLU 139 Ca 0.38 1.19 -0.12 0.00 0.02 0.00 0.00 54.97 56.45 1wpv s GLU 139 Cb 0.03 -1.97 0.03 0.00 0.10 0.00 0.00 34.13 32.32 1wpv s GLU 139 CO 0.22 -1.18 0.30 -0.08 0.02 0.00 0.00 175.26 174.54 1wpv s THR 140 N -2.66 0.02 0.12 3.63 -1.32 -0.51 -4.72 115.64 110.20 1wpv s THR 140 Ca 0.63 -0.14 0.04 0.00 -1.21 0.00 0.00 61.69 61.01 1wpv s THR 140 Cb -0.17 -0.48 -0.04 0.00 -1.51 0.00 0.00 72.50 70.30 1wpv s THR 140 CO 0.46 -0.08 -0.11 -0.36 -2.21 0.00 0.00 174.62 172.33 1wpv s PHE 141 N -0.25 1.22 -0.28 9.09 0.40 -1.26 -2.30 117.98 124.60 1wpv s PHE 141 Ca -0.04 -0.67 -0.17 0.00 -0.60 0.00 0.00 56.93 55.45 1wpv s PHE 141 Cb -0.03 -0.64 0.10 0.00 0.51 0.00 0.00 43.02 42.96 1wpv s PHE 141 CO 0.01 0.07 0.79 0.20 0.70 0.00 0.00 175.22 176.99 1wpv s GLY 142 N -2.73 -0.43 -0.06 4.36 0.00 -0.74 -2.04 107.32 105.67 1wpv s GLY 142 Ca 0.11 2.60 -0.01 0.00 0.00 0.00 0.00 44.72 47.41 1wpv s GLY 142 CO 0.01 2.37 0.00 0.14 0.00 0.00 0.00 173.10 175.62 1wpv s VAL 143 N 1.37 0.35 -0.05 1.40 1.01 -1.26 0.16 120.40 123.38 1wpv s VAL 143 Ca -0.08 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1wpv s VAL 143 Cb -0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1wpv s VAL 143 CO -0.16 0.24 -0.25 -0.83 0.00 0.00 0.00 175.10 174.10 1wpv s GLY 144 N 1.82 1.30 -0.04 4.51 0.00 -0.09 -4.22 107.32 110.60 1wpv s GLY 144 Ca 0.02 -1.07 0.04 0.00 0.00 0.00 0.00 44.72 43.71 1wpv s GLY 144 CO -0.04 -0.74 -0.15 -0.42 0.00 0.00 0.00 173.10 171.74 1wpv s ILE 145 N -0.32 1.27 0.07 0.90 1.01 -1.26 -1.06 121.20 121.81 1wpv s ILE 145 Ca 0.01 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 1wpv s ILE 145 Cb -0.12 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.26 1wpv s ILE 145 CO 0.02 0.37 0.25 0.21 0.00 0.00 0.00 174.94 175.80 1wpv s ASN 146 N 0.08 -0.02 0.42 3.58 2.47 -0.59 -4.86 114.94 116.03 1wpv s ASN 146 Ca -0.04 -0.43 -0.03 0.00 0.42 0.00 0.00 52.86 52.79 1wpv s ASN 146 Cb -0.11 0.36 -0.04 0.00 -1.45 0.00 0.00 41.25 40.01 1wpv s ASN 146 CO 0.02 -0.69 0.68 -1.38 -3.72 0.00 0.00 177.10 172.00 1wpv s HIS 147 N -3.30 3.53 -0.73 0.43 -3.43 -1.26 -0.17 115.29 110.37 1wpv s HIS 147 Ca 0.00 0.61 0.06 0.00 -0.80 0.00 0.00 55.06 54.93 1wpv s HIS 147 Cb 0.02 -2.12 0.05 0.00 -1.43 0.00 0.00 32.58 29.09 1wpv s HIS 147 CO -0.08 -0.09 0.69 -0.89 -2.00 0.00 0.00 174.74 172.36