#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wps n GLU 6 N 0.00 0.00 -3.16 -1.58 2.13 -1.26 -4.90 120.64 111.88 1wps n GLU 6 Ca 0.00 0.11 -0.20 0.00 0.66 0.00 0.00 57.16 57.72 1wps n GLU 6 Cb 0.00 -0.59 -0.06 0.00 0.27 0.00 0.00 31.44 31.06 1wps n GLU 6 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1wps n ARG 7 N -2.35 0.45 -3.90 5.31 0.63 -1.26 -5.07 116.66 110.48 1wps n ARG 7 Ca 0.00 -2.83 -0.33 0.00 -0.92 0.00 0.00 57.85 53.76 1wps n ARG 7 Cb 0.00 -1.49 -0.13 0.00 0.45 0.00 0.00 32.46 31.29 1wps n ARG 7 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1wps s ARG 8 N -0.08 1.81 0.31 -0.14 0.52 -1.26 -4.70 118.95 115.41 1wps s ARG 8 Ca 0.33 -1.99 0.04 0.00 -0.52 0.00 0.00 55.73 53.59 1wps s ARG 8 Cb 0.09 -3.40 0.81 0.00 0.52 0.00 0.00 34.95 32.96 1wps s ARG 8 CO -0.15 -1.03 1.61 0.97 0.02 0.00 0.00 175.30 176.72 1wps h ILE 9 N 6.29 0.17 0.16 1.52 2.10 -1.97 0.22 117.51 125.99 1wps h ILE 9 Ca -0.08 -0.04 -0.01 0.00 1.08 0.00 0.00 64.86 65.82 1wps h ILE 9 Cb 1.01 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 1wps h ILE 9 CO 0.62 0.02 -0.08 1.23 -1.08 0.00 0.00 178.15 178.86 1wps h GLY 10 N 0.11 -0.22 0.98 8.18 0.00 -1.96 0.47 103.07 110.62 1wps h GLY 10 Ca 0.61 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.99 1wps h GLY 10 CO -0.77 -0.08 -0.32 -0.09 0.00 0.00 0.00 176.54 175.28 1wps h ARG 11 N -0.43 -0.83 -0.48 4.80 2.43 -1.77 0.72 114.38 118.81 1wps h ARG 11 Ca -0.02 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1wps h ARG 11 Cb 0.34 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 30.00 1wps h ARG 11 CO 0.04 -0.55 -0.47 -0.07 -1.51 0.00 0.00 179.97 177.40 1wps h LEU 12 N -0.86 -1.63 -0.95 3.80 3.38 -0.53 0.18 115.31 118.70 1wps h LEU 12 Ca -0.08 0.22 0.28 0.00 0.09 0.00 0.00 57.88 58.39 1wps h LEU 12 Cb 0.67 0.68 -0.14 0.00 0.09 0.00 0.00 40.66 41.96 1wps h LEU 12 CO 0.13 -0.30 0.44 -1.28 0.09 0.00 0.00 178.44 177.53 1wps h SER 13 N -0.24 0.34 0.31 -0.43 0.87 0.17 -0.06 113.55 114.51 1wps h SER 13 Ca 0.08 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1wps h SER 13 Cb 0.45 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1wps h SER 13 CO -0.58 -0.11 -0.15 0.58 -0.53 0.00 0.00 176.83 176.05 1wps h VAL 14 N 0.32 0.36 -0.27 2.23 2.07 0.11 -1.96 116.25 119.11 1wps h VAL 14 Ca 0.65 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 67.45 1wps h VAL 14 Cb 1.38 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1wps h VAL 14 CO -0.60 0.09 0.62 -0.07 0.02 0.00 0.00 177.57 177.63 1wps h LEU 15 N -1.01 0.00 0.14 2.57 3.38 0.02 0.52 115.31 120.92 1wps h LEU 15 Ca -0.04 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 1wps h LEU 15 Cb 0.46 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 1wps h LEU 15 CO 0.07 0.00 -1.15 0.25 0.09 0.00 0.00 178.44 177.70 1wps h LEU 16 N 0.00 0.45 0.28 1.67 5.85 -0.91 -3.09 115.31 119.56 1wps h LEU 16 Ca 0.13 -0.90 -0.01 0.00 0.84 0.00 0.00 57.88 57.93 1wps h LEU 16 Cb 1.37 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1wps h LEU 16 CO -0.00 1.52 -0.14 0.25 -0.34 0.00 0.00 178.44 179.73 1wps h LEU 17 N -0.30 -0.34 -1.65 2.25 5.85 0.73 -3.19 115.31 118.66 1wps h LEU 17 Ca -0.23 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1wps h LEU 17 Cb 1.74 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 1wps h LEU 17 CO 0.12 -0.24 0.13 -0.07 -0.34 0.00 0.00 178.44 178.04 1wps h LEU 18 N -0.38 0.32 -8.16 2.25 3.38 -1.15 -3.39 115.31 108.18 1wps h LEU 18 Ca -0.04 -0.02 -0.71 0.00 0.09 0.00 0.00 57.88 57.20 1wps h LEU 18 Cb 0.30 -0.08 -0.28 0.00 0.09 0.00 0.00 40.66 40.69 1wps h LEU 18 CO 0.06 0.28 -0.49 0.21 0.09 0.00 0.00 178.44 178.58 1wps s ASN 19 N -6.81 5.60 -0.92 -0.43 2.47 -1.17 -4.96 114.94 108.72 1wps s ASN 19 Ca -0.07 -1.39 0.00 0.00 0.42 0.00 0.00 52.86 51.82 1wps s ASN 19 Cb 0.17 -1.97 0.32 0.00 -1.45 0.00 0.00 41.25 38.32 1wps s ASN 19 CO 0.72 -0.49 1.53 -1.84 -3.72 0.00 0.00 177.10 173.30 1wps n GLU 20 N 4.91 4.69 -3.73 0.43 0.00 -1.26 -4.86 120.64 120.82 1wps n GLU 20 Ca -0.10 -4.70 -0.22 0.00 0.00 0.00 0.00 57.16 52.14 1wps n GLU 20 Cb 0.44 -2.41 -0.18 0.00 0.00 0.00 0.00 31.44 29.28 1wps n GLU 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wps s ALA 21 N -3.85 0.49 -0.63 -1.84 0.00 -1.26 -4.89 121.76 109.78 1wps s ALA 21 Ca 0.40 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.26 1wps s ALA 21 Cb 0.19 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1wps s ALA 21 CO -0.09 -0.47 0.64 0.39 0.00 0.00 0.00 175.76 176.23 1wps n GLU 22 N 5.21 -1.76 0.14 0.00 4.71 -1.26 -4.87 120.64 122.81 1wps n GLU 22 Ca -0.05 1.42 -0.25 0.00 -0.01 0.00 0.00 57.16 58.27 1wps n GLU 22 Cb 0.50 -3.97 -0.16 0.00 -1.01 0.00 0.00 31.44 26.80 1wps n GLU 22 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1wps h GLU 23 N 0.97 0.52 -0.58 3.49 5.08 -1.90 -3.07 114.58 119.09 1wps h GLU 23 Ca -0.30 -0.89 0.04 0.00 -1.00 0.00 0.00 59.36 57.20 1wps h GLU 23 Cb 1.20 0.33 -0.03 0.00 0.50 0.00 0.00 28.75 30.75 1wps h GLU 23 CO 0.28 1.43 0.38 0.66 -1.00 0.00 0.00 179.01 180.76 1wps h SER 24 N 0.11 0.56 -0.23 1.42 4.64 -1.97 1.09 113.55 119.18 1wps h SER 24 Ca -0.26 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 60.89 1wps h SER 24 Cb 2.14 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 64.10 1wps h SER 24 CO 0.26 0.39 -0.50 0.71 -0.87 0.00 0.00 176.83 176.83 1wps h THR 25 N 0.65 1.28 0.00 2.95 1.35 -1.92 0.16 112.91 117.38 1wps h THR 25 Ca 0.24 -1.69 -0.15 0.00 -0.55 0.00 0.00 66.41 64.26 1wps h THR 25 Cb 0.12 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 1wps h THR 25 CO -0.06 0.55 -0.88 -0.61 -0.25 0.00 0.00 175.52 174.26 1wps h GLN 26 N 0.63 0.00 0.18 4.72 4.15 -1.20 -2.94 115.11 120.65 1wps h GLN 26 Ca 0.03 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.21 1wps h GLN 26 Cb 1.08 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.80 1wps h GLN 26 CO 0.11 0.56 -1.05 0.28 -1.93 0.00 0.00 178.83 176.80 1wps h VAL 27 N 0.00 1.42 -0.26 2.39 2.07 0.12 -2.51 116.25 119.49 1wps h VAL 27 Ca -0.06 -2.59 -0.09 0.00 0.82 0.00 0.00 66.70 64.78 1wps h VAL 27 Cb 1.55 3.14 -0.01 0.00 -1.52 0.00 0.00 31.29 34.45 1wps h VAL 27 CO 0.08 0.75 -0.24 -0.33 0.02 0.00 0.00 177.57 177.85 1wps h GLU 28 N -0.20 0.48 -0.89 1.57 5.08 -1.09 -0.07 114.58 119.46 1wps h GLU 28 Ca -0.19 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1wps h GLU 28 Cb 1.82 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.99 1wps h GLU 28 CO 0.19 0.69 0.59 1.49 -1.00 0.00 0.00 179.01 180.97 1wps h GLU 29 N 0.43 1.17 0.13 2.33 4.81 -1.59 -1.14 114.58 120.72 1wps h GLU 29 Ca 0.06 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1wps h GLU 29 Cb 0.65 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1wps h GLU 29 CO 0.05 0.78 -0.06 1.25 -0.73 0.00 0.00 179.01 180.29 1wps h LEU 30 N 1.21 -0.15 -1.01 1.64 5.85 -0.70 -3.24 115.31 118.91 1wps h LEU 30 Ca 0.33 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1wps h LEU 30 Cb -0.14 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1wps h LEU 30 CO -0.07 0.29 0.57 -0.33 -0.34 0.00 0.00 178.44 178.56 1wps h GLU 31 N -0.62 1.25 0.00 1.25 5.08 -1.00 -1.21 114.58 119.32 1wps h GLU 31 Ca -0.02 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1wps h GLU 31 Cb 0.48 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1wps h GLU 31 CO 0.03 0.86 0.22 -2.13 -1.00 0.00 0.00 179.01 177.00 1wps n ARG 32 N -4.36 0.05 -1.92 2.33 0.63 -0.44 -0.84 116.66 112.11 1wps n ARG 32 Ca 0.10 0.46 -0.26 0.00 -0.92 0.00 0.00 57.85 57.23 1wps n ARG 32 Cb 0.05 -1.89 0.03 0.00 0.45 0.00 0.00 32.46 31.10 1wps n ARG 32 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1wps n ASP 33 N -1.72 5.48 -3.55 6.15 -0.08 -0.46 -4.94 116.55 117.42 1wps n ASP 33 Ca -0.00 -3.76 -0.20 0.00 -1.51 0.00 0.00 54.79 49.31 1wps n ASP 33 Cb 0.24 -0.48 0.05 0.00 2.34 0.00 0.00 41.12 43.27 1wps n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wps n GLY 34 N -0.73 -0.55 3.41 0.27 0.00 -0.02 -5.02 105.19 102.54 1wps n GLY 34 Ca 0.47 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 46.54 1wps n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wps s TRP 35 N -3.52 1.84 -0.29 1.61 0.52 -1.19 -4.62 118.94 113.28 1wps s TRP 35 Ca 0.14 -0.88 -0.01 0.00 0.02 0.00 0.00 56.10 55.38 1wps s TRP 35 Cb -0.03 -1.12 0.09 0.00 -1.15 0.00 0.00 33.47 31.26 1wps s TRP 35 CO 0.79 0.06 0.07 0.15 0.02 0.00 0.00 176.95 178.04 1wps s LYS 36 N -3.84 0.82 -0.09 4.98 -0.14 -0.06 -4.44 119.74 116.97 1wps s LYS 36 Ca 0.32 -1.02 -0.05 0.00 -1.36 0.00 0.00 55.97 53.86 1wps s LYS 36 Cb 0.06 -2.12 -0.04 0.00 -1.68 0.00 0.00 37.83 34.06 1wps s LYS 36 CO 0.12 -0.91 0.11 0.08 -0.76 0.00 0.00 175.35 173.99 1wps s VAL 37 N 1.59 5.16 -0.22 3.17 1.01 -1.26 -1.36 120.40 128.49 1wps s VAL 37 Ca 0.07 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 1wps s VAL 37 Cb -0.17 -3.26 0.10 0.00 0.00 0.00 0.00 36.38 33.05 1wps s VAL 37 CO -0.21 0.57 0.47 0.00 0.00 0.00 0.00 175.10 175.93 1wps s LEU 39 N 2.67 2.63 0.00 0.00 1.43 -1.26 -0.88 118.68 123.27 1wps s LEU 39 Ca -0.02 -1.11 -0.10 0.00 -1.03 0.00 0.00 54.13 51.86 1wps s LEU 39 Cb -0.12 -0.96 0.04 0.00 0.03 0.00 0.00 46.19 45.17 1wps s LEU 39 CO -0.14 -0.12 0.48 0.61 0.23 0.00 0.00 176.35 177.41 1wps n GLY 40 N -0.66 0.70 3.19 -3.19 0.00 -0.97 -5.01 105.19 99.25 1wps n GLY 40 Ca -0.05 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 1wps n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wps s LYS 41 N -2.01 0.92 -0.10 1.61 2.20 -1.26 -1.19 119.74 119.91 1wps s LYS 41 Ca 0.11 -1.39 -0.04 0.00 -0.36 0.00 0.00 55.97 54.29 1wps s LYS 41 Cb -0.01 -0.24 0.05 0.00 -1.51 0.00 0.00 37.83 36.12 1wps s LYS 41 CO 0.01 -0.04 0.21 0.08 -0.36 0.00 0.00 175.35 175.24 1wps s VAL 42 N -3.62 -0.21 -1.14 4.02 1.01 0.60 -4.94 120.40 116.12 1wps s VAL 42 Ca 0.15 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1wps s VAL 42 Cb 0.05 -0.35 0.36 0.00 0.00 0.00 0.00 36.38 36.44 1wps s VAL 42 CO -0.02 0.11 1.15 0.61 0.00 0.00 0.00 175.10 176.94 1wps n GLY 43 N 4.86 1.62 3.20 4.51 0.00 -1.26 0.21 105.19 118.34 1wps n GLY 43 Ca -0.14 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 1wps n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wps s SER 44 N -0.60 1.66 -0.23 1.61 0.15 -1.22 -4.53 113.70 110.54 1wps s SER 44 Ca 0.25 -0.79 0.13 0.00 0.70 0.00 0.00 55.95 56.24 1wps s SER 44 Cb 0.17 -0.03 0.45 0.00 -1.71 0.00 0.00 66.02 64.91 1wps s SER 44 CO 0.11 -0.20 1.18 0.80 1.20 0.00 0.00 173.24 176.33 1wps n MET 45 N 0.64 2.36 -3.81 5.44 1.56 -1.26 -4.67 117.12 117.38 1wps n MET 45 Ca -0.16 -3.59 -0.37 0.00 -0.27 0.00 0.00 57.70 53.30 1wps n MET 45 Cb 0.57 -1.74 -0.06 0.00 2.15 0.00 0.00 33.22 34.13 1wps n MET 45 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1wps s ASP 46 N -3.37 6.39 0.20 6.12 -1.08 -1.26 -5.01 116.67 118.66 1wps s ASP 46 Ca 0.41 0.47 -0.13 0.00 -0.52 0.00 0.00 52.55 52.79 1wps s ASP 46 Cb 0.38 -2.09 0.22 0.00 -1.46 0.00 0.00 42.92 39.97 1wps s ASP 46 CO -0.03 0.35 1.68 0.00 0.52 0.00 0.00 175.17 177.69 1wps h ALA 47 N 5.34 0.52 -0.27 3.66 0.00 -2.00 -2.11 119.26 124.41 1wps h ALA 47 Ca -0.52 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1wps h ALA 47 Cb 1.21 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1wps h ALA 47 CO 0.62 -0.38 -0.08 1.25 0.00 0.00 0.00 179.25 180.66 1wps h HIS 48 N 0.13 0.60 0.00 0.00 -0.00 -1.99 -1.99 115.15 111.91 1wps h HIS 48 Ca 0.27 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1wps h HIS 48 Cb 0.42 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 1wps h HIS 48 CO -0.32 0.75 0.00 0.87 -0.00 0.00 0.00 177.93 179.23 1wps h LYS 49 N 0.28 0.00 0.01 5.26 1.57 -1.92 0.32 116.57 122.09 1wps h LYS 49 Ca 0.07 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 1wps h LYS 49 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1wps h LYS 49 CO 0.03 0.00 -0.86 0.28 -0.57 0.00 0.00 179.45 178.33 1wps h VAL 50 N 0.00 1.21 -0.52 0.50 2.07 -1.28 -3.09 116.25 115.14 1wps h VAL 50 Ca 0.00 -2.25 -0.04 0.00 0.82 0.00 0.00 66.70 65.23 1wps h VAL 50 Cb 0.39 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1wps h VAL 50 CO 0.00 0.44 0.18 -0.29 0.02 0.00 0.00 177.57 177.92 1wps h ILE 51 N -0.94 1.23 0.11 4.57 6.09 -1.30 0.15 117.51 127.43 1wps h ILE 51 Ca -0.23 -0.74 0.02 0.00 -1.37 0.00 0.00 64.86 62.53 1wps h ILE 51 Cb 1.24 0.73 -0.03 0.00 0.47 0.00 0.00 36.82 39.23 1wps h ILE 51 CO -0.12 0.28 -0.25 0.00 -3.07 0.00 0.00 178.15 174.98 1wps h ALA 52 N 1.04 -0.43 0.50 0.18 0.00 -1.10 0.88 119.26 120.33 1wps h ALA 52 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1wps h ALA 52 Cb 0.25 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1wps h ALA 52 CO -0.01 -0.79 -0.40 0.00 0.00 0.00 0.00 179.25 178.05 1wps h ALA 53 N 0.29 -1.13 -0.98 0.00 0.00 -1.41 -1.23 119.26 114.80 1wps h ALA 53 Ca 0.03 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.92 1wps h ALA 53 Cb 0.49 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 1wps h ALA 53 CO -0.15 -1.13 0.60 0.82 0.00 0.00 0.00 179.25 179.39 1wps h ILE 54 N -0.87 0.80 -0.60 0.00 2.04 -0.91 0.15 117.51 118.11 1wps h ILE 54 Ca -0.06 -0.29 0.08 0.00 1.00 0.00 0.00 64.86 65.59 1wps h ILE 54 Cb 0.73 -0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.63 1wps h ILE 54 CO 0.00 0.15 0.25 -0.08 0.00 0.00 0.00 178.15 178.48 1wps h GLU 55 N 0.84 0.44 0.08 2.37 4.81 0.13 -0.05 114.58 123.20 1wps h GLU 55 Ca 0.53 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.73 1wps h GLU 55 Cb 0.70 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1wps h GLU 55 CO -0.33 0.29 -0.04 1.15 -0.73 0.00 0.00 179.01 179.35 1wps h THR 56 N 0.46 1.13 -1.00 0.32 2.02 0.24 -2.55 112.91 113.53 1wps h THR 56 Ca 0.29 -1.43 0.11 0.00 0.77 0.00 0.00 66.41 66.16 1wps h THR 56 Cb 0.32 1.97 -0.08 0.00 -1.74 0.00 0.00 68.15 68.62 1wps h THR 56 CO -0.27 0.32 0.63 0.00 0.37 0.00 0.00 175.52 176.58 1wps h ALA 57 N -0.11 1.51 -0.10 6.16 0.00 -0.70 1.95 119.26 127.97 1wps h ALA 57 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wps h ALA 57 Cb 0.60 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wps h ALA 57 CO 0.02 0.25 0.03 0.77 0.00 0.00 0.00 179.25 180.32 1wps h SER 58 N 1.02 0.15 -0.11 0.00 0.02 -1.08 -3.04 113.55 110.49 1wps h SER 58 Ca 0.49 -0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 61.08 1wps h SER 58 Cb 0.45 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.96 1wps h SER 58 CO -0.25 0.33 -0.47 0.50 -1.14 0.00 0.00 176.83 175.80 1wps h LYS 59 N -0.05 0.52 -0.10 3.45 3.64 -0.85 -1.61 116.57 121.57 1wps h LYS 59 Ca 0.03 -0.41 0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1wps h LYS 59 Cb 0.24 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1wps h LYS 59 CO -0.00 1.03 0.23 -0.22 -2.27 0.00 0.00 179.45 178.22 1wps h LYS 60 N 0.12 0.00 -0.76 1.90 3.64 0.30 -3.00 116.57 118.77 1wps h LYS 60 Ca -0.03 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.84 1wps h LYS 60 Cb 1.11 0.00 -0.43 0.00 -0.41 0.00 0.00 32.23 32.51 1wps h LYS 60 CO 0.10 0.00 -0.86 0.45 -2.27 0.00 0.00 179.45 176.87 1wps n SER 61 N -3.32 4.45 -1.46 4.20 2.88 -1.15 -4.98 113.62 114.25 1wps n SER 61 Ca -0.00 -3.52 -0.19 0.00 -1.33 0.00 0.00 58.87 53.84 1wps n SER 61 Cb 0.31 -0.37 -0.08 0.00 -0.75 0.00 0.00 64.21 63.33 1wps n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wps n GLY 62 N -0.67 1.76 0.10 0.46 0.00 -1.13 -4.84 105.19 100.87 1wps n GLY 62 Ca 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 1wps n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wps h VAL 63 N 0.00 0.97 -4.09 1.61 2.07 -1.53 -3.45 116.25 111.82 1wps h VAL 63 Ca -0.38 -1.42 -0.50 0.00 0.82 0.00 0.00 66.70 65.22 1wps h VAL 63 Cb 1.29 1.71 -0.30 0.00 -1.52 0.00 0.00 31.29 32.47 1wps h VAL 63 CO 0.56 0.29 -0.81 0.27 0.02 0.00 0.00 177.57 177.89 1wps s ILE 64 N -2.82 1.14 0.51 4.57 -4.36 -1.19 -4.94 121.20 114.11 1wps s ILE 64 Ca -0.12 -0.59 -0.09 0.00 -0.26 0.00 0.00 60.65 59.59 1wps s ILE 64 Cb -0.00 -0.97 -0.05 0.00 1.25 0.00 0.00 42.46 42.69 1wps s ILE 64 CO 0.46 0.33 0.87 0.00 0.24 0.00 0.00 174.94 176.84 1wps s GLN 65 N -0.17 3.63 -0.46 0.37 -2.07 -1.26 -4.18 119.66 115.52 1wps s GLN 65 Ca 0.02 0.47 -0.10 0.00 -1.82 0.00 0.00 55.36 53.93 1wps s GLN 65 Cb -0.07 -2.27 0.10 0.00 -1.09 0.00 0.00 33.01 29.68 1wps s GLN 65 CO 0.00 -0.29 0.34 -1.54 -1.32 0.00 0.00 175.29 172.48 1wps s SER 66 N -3.89 5.77 0.13 12.60 1.04 -1.26 -4.76 113.70 123.32 1wps s SER 66 Ca 0.51 -1.72 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1wps s SER 66 Cb -0.10 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1wps s SER 66 CO 0.44 -0.66 0.00 -1.84 0.98 0.00 0.00 173.24 172.17 1wps n GLU 67 N 4.97 0.00 -4.29 4.02 0.00 -1.26 -5.14 120.64 118.94 1wps n GLU 67 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.83 1wps n GLU 67 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.78 1wps n GLU 67 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1wps s GLY 68 N -2.23 1.86 0.00 -1.84 0.00 -1.26 -5.01 107.32 98.85 1wps s GLY 68 Ca 0.00 -1.81 0.26 0.00 0.00 0.00 0.00 44.72 43.17 1wps s GLY 68 CO 0.00 -1.81 1.83 -1.72 0.00 0.00 0.00 173.10 171.40 1wps n TYR 69 N -0.93 0.00 0.08 1.90 4.01 -1.26 -4.07 117.16 116.89 1wps n TYR 69 Ca -0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.59 1wps n TYR 69 Cb 0.61 -0.49 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 1wps n TYR 69 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1wps h ARG 70 N 0.00 -0.45 -0.73 -0.72 2.43 -1.98 0.46 114.38 113.39 1wps h ARG 70 Ca 0.00 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1wps h ARG 70 Cb 0.44 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 1wps h ARG 70 CO 0.00 -0.30 0.44 0.93 -1.51 0.00 0.00 179.97 179.53 1wps h GLU 71 N -0.47 0.98 -0.51 0.20 5.08 -1.90 0.80 114.58 118.75 1wps h GLU 71 Ca -0.01 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1wps h GLU 71 Cb 0.46 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1wps h GLU 71 CO -0.15 0.68 0.24 1.03 -1.00 0.00 0.00 179.01 179.81 1wps h SER 72 N 1.00 0.64 0.07 1.42 0.87 -1.62 -2.74 113.55 113.19 1wps h SER 72 Ca 0.26 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1wps h SER 72 Cb -0.05 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 1wps h SER 72 CO -0.05 0.55 -0.03 0.45 -0.53 0.00 0.00 176.83 177.21 1wps h HIS 73 N 0.71 -0.09 -0.11 2.24 3.86 0.18 -2.35 115.15 119.59 1wps h HIS 73 Ca 0.18 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.42 1wps h HIS 73 Cb 0.08 0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1wps h HIS 73 CO 0.01 0.46 0.22 0.00 0.86 0.00 0.00 177.93 179.47 1wps h ALA 74 N 0.07 1.54 0.06 2.45 0.00 -0.83 -0.51 119.26 122.03 1wps h ALA 74 Ca -0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1wps h ALA 74 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wps h ALA 74 CO 0.02 -0.27 -0.68 1.25 0.00 0.00 0.00 179.25 179.56 1wps h LEU 75 N 0.00 0.20 -0.43 0.00 5.85 -1.49 -3.14 115.31 116.30 1wps h LEU 75 Ca 0.05 -0.88 0.05 0.00 0.84 0.00 0.00 57.88 57.94 1wps h LEU 75 Cb 0.49 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 1wps h LEU 75 CO -0.00 1.30 -0.56 0.22 -0.34 0.00 0.00 178.44 179.06 1wps h TYR 76 N -0.70 -1.70 -0.56 1.25 3.20 -0.54 0.37 116.97 118.29 1wps h TYR 76 Ca -0.15 0.08 0.06 0.00 3.14 0.00 0.00 58.73 61.86 1wps h TYR 76 Cb 1.37 0.80 -0.05 0.00 1.54 0.00 0.00 36.73 40.38 1wps h TYR 76 CO 0.20 -0.48 0.27 0.45 -1.64 0.00 0.00 178.16 176.96 1wps h HIS 77 N -0.38 0.50 -0.10 -3.82 3.86 -1.55 0.62 115.15 114.28 1wps h HIS 77 Ca 0.07 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 1wps h HIS 77 Cb 0.58 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.87 1wps h HIS 77 CO -0.74 0.22 -0.13 0.00 0.86 0.00 0.00 177.93 178.14 1wps h ALA 78 N 1.32 -0.07 0.51 2.45 0.00 -1.18 -0.64 119.26 121.65 1wps h ALA 78 Ca 0.26 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1wps h ALA 78 Cb 0.20 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1wps h ALA 78 CO -0.19 -0.59 -0.49 1.15 0.00 0.00 0.00 179.25 179.12 1wps h THR 79 N -0.17 0.00 -0.76 0.00 2.02 0.94 -1.55 112.91 113.38 1wps h THR 79 Ca 0.08 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.38 1wps h THR 79 Cb 0.29 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.57 1wps h THR 79 CO -0.20 0.00 -0.37 -0.03 0.37 0.00 0.00 175.52 175.29 1wps h MET 80 N -1.00 -0.09 -0.50 6.66 4.05 0.46 0.55 114.93 125.06 1wps h MET 80 Ca -0.07 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1wps h MET 80 Cb 0.86 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.66 1wps h MET 80 CO -0.05 -0.06 0.31 1.49 0.23 0.00 0.00 176.91 178.83 1wps h GLU 81 N -0.10 0.67 -0.21 0.39 4.81 -0.95 0.35 114.58 119.54 1wps h GLU 81 Ca 0.27 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1wps h GLU 81 Cb 0.57 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1wps h GLU 81 CO -0.81 0.48 -0.15 0.00 -0.73 0.00 0.00 179.01 177.79 1wps h ALA 82 N 1.16 1.35 -0.24 2.92 0.00 -0.09 -2.29 119.26 122.07 1wps h ALA 82 Ca 0.18 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1wps h ALA 82 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1wps h ALA 82 CO -0.04 0.44 -0.51 1.25 0.00 0.00 0.00 179.25 180.40 1wps h LEU 83 N 0.33 0.74 -2.66 0.00 5.85 0.93 -2.31 115.31 118.19 1wps h LEU 83 Ca 0.06 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1wps h LEU 83 Cb 0.47 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1wps h LEU 83 CO 0.03 1.12 -0.01 0.45 -0.34 0.00 0.00 178.44 179.68 1wps h HIS 84 N 0.53 0.00 0.11 1.25 3.86 0.23 -0.94 115.15 120.18 1wps h HIS 84 Ca 0.02 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.94 1wps h HIS 84 Cb 1.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 1wps h HIS 84 CO 0.05 0.01 -1.45 0.78 0.86 0.00 0.00 177.93 178.18 1wps h GLY 85 N 0.25 0.27 0.80 2.45 0.00 -1.12 -3.34 103.07 102.38 1wps h GLY 85 Ca -0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1wps h GLY 85 CO 0.00 0.60 0.02 -2.08 0.00 0.00 0.00 176.54 175.08 1wps h VAL 86 N 0.06 1.20 -3.49 4.60 2.07 -0.81 -3.38 116.25 116.51 1wps h VAL 86 Ca -0.21 -0.63 -0.68 0.00 0.82 0.00 0.00 66.70 66.00 1wps h VAL 86 Cb 1.99 1.44 -0.18 0.00 -1.52 0.00 0.00 31.29 33.03 1wps h VAL 86 CO 0.17 0.18 -0.05 0.42 0.02 0.00 0.00 177.57 178.31 1wps s THR 87 N -5.23 4.96 0.00 2.57 -4.23 -0.65 -4.67 115.64 108.39 1wps s THR 87 Ca -0.14 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1wps s THR 87 Cb 0.05 -4.15 0.00 0.00 1.34 0.00 0.00 72.50 69.74 1wps s THR 87 CO 0.69 -0.56 0.00 -1.14 -0.54 0.00 0.00 174.62 173.07 1wps n ARG 88 N 5.92 0.00 0.00 3.99 0.63 -1.26 -4.69 116.66 121.25 1wps n ARG 88 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1wps n ARG 88 Cb 0.47 -0.05 0.00 0.00 0.45 0.00 0.00 32.46 33.33 1wps n ARG 88 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wps n GLY 89 N 3.36 -0.05 0.14 5.14 0.00 -1.26 -4.57 105.19 107.95 1wps n GLY 89 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1wps n GLY 89 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wps h GLU 90 N 0.00 0.11 0.00 1.61 4.81 -1.98 -2.10 114.58 117.03 1wps h GLU 90 Ca 0.00 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.00 1wps h GLU 90 Cb 0.00 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1wps h GLU 90 CO 0.00 0.73 -0.68 1.98 -0.73 0.00 0.00 179.01 180.31 1wps h MET 91 N 0.08 0.00 -0.87 1.92 4.05 -1.93 -3.28 114.93 114.90 1wps h MET 91 Ca -0.01 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.54 1wps h MET 91 Cb 1.17 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.83 1wps h MET 91 CO 0.09 0.68 -0.39 -0.07 0.23 0.00 0.00 176.91 177.45 1wps h LEU 92 N 0.00 -1.42 -5.82 3.39 3.38 -1.62 -1.89 115.31 111.33 1wps h LEU 92 Ca -0.01 0.29 -0.76 0.00 0.09 0.00 0.00 57.88 57.49 1wps h LEU 92 Cb 1.24 0.72 -0.21 0.00 0.09 0.00 0.00 40.66 42.51 1wps h LEU 92 CO 0.09 -0.29 1.56 0.00 0.09 0.00 0.00 178.44 179.89 1wps n LEU 93 N -5.45 7.61 -3.17 1.67 -0.00 -1.24 -4.65 117.00 111.78 1wps n LEU 93 Ca 0.08 -5.07 -0.12 0.00 -0.00 0.00 0.00 56.01 50.89 1wps n LEU 93 Cb 0.38 -1.24 -0.05 0.00 -0.00 0.00 0.00 43.42 42.51 1wps n LEU 93 CO -0.09 2.02 -0.07 -0.83 -0.00 0.00 0.00 177.39 178.42 1wps s GLY 94 N -0.53 -0.33 -0.28 1.47 0.00 -0.71 -5.01 107.32 101.92 1wps s GLY 94 Ca 0.47 -0.93 0.21 0.00 0.00 0.00 0.00 44.72 44.47 1wps s GLY 94 CO -0.14 3.03 1.10 1.44 0.00 0.00 0.00 173.10 178.53 1wps n SER 95 N 3.61 1.31 -3.82 1.64 7.64 -1.26 -4.89 113.62 117.85 1wps n SER 95 Ca 0.17 -2.21 -0.30 0.00 1.01 0.00 0.00 58.87 57.54 1wps n SER 95 Cb 0.51 -0.40 -0.15 0.00 -1.01 0.00 0.00 64.21 63.16 1wps n SER 95 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1wps s LEU 96 N -3.65 3.01 -1.78 -3.43 0.20 -1.26 -4.82 118.68 106.95 1wps s LEU 96 Ca 0.26 -1.79 -0.18 0.00 0.69 0.00 0.00 54.13 53.12 1wps s LEU 96 Cb 0.36 -1.10 0.17 0.00 -0.43 0.00 0.00 46.19 45.19 1wps s LEU 96 CO -0.03 -0.40 0.50 0.18 -0.29 0.00 0.00 176.35 176.32 1wps n LEU 97 N 4.66 -1.04 -4.66 -0.68 4.77 -1.26 -4.80 117.00 113.99 1wps n LEU 97 Ca -0.00 -1.21 -0.43 0.00 -0.03 0.00 0.00 56.01 54.34 1wps n LEU 97 Cb 0.42 -1.69 -0.02 0.00 -2.33 0.00 0.00 43.42 39.79 1wps n LEU 97 CO 0.15 0.21 1.14 -0.13 -1.33 0.00 0.00 177.39 177.43 1wps s ARG 98 N -7.21 4.23 -0.49 3.23 0.52 -1.26 -4.91 118.95 113.06 1wps s ARG 98 Ca 0.63 1.79 -0.27 0.00 -0.52 0.00 0.00 55.73 57.36 1wps s ARG 98 Cb -0.36 -3.79 -0.03 0.00 0.52 0.00 0.00 34.95 31.29 1wps s ARG 98 CO 1.00 -0.71 1.92 -0.08 0.02 0.00 0.00 175.30 177.45 1wps s THR 99 N 3.46 3.35 -0.23 0.02 -1.32 -1.26 -4.91 115.64 114.74 1wps s THR 99 Ca 0.59 0.27 -0.01 0.00 -1.21 0.00 0.00 61.69 61.33 1wps s THR 99 Cb -0.25 -3.70 0.02 0.00 -1.51 0.00 0.00 72.50 67.05 1wps s THR 99 CO 0.19 -0.61 -0.09 0.68 -2.21 0.00 0.00 174.62 172.58 1wps s VAL 100 N 8.74 2.78 -0.32 5.08 -7.23 -1.26 -2.63 120.40 125.56 1wps s VAL 100 Ca 0.76 -0.89 0.02 0.00 -1.81 0.00 0.00 61.98 60.06 1wps s VAL 100 Cb -0.17 -2.33 0.08 0.00 0.56 0.00 0.00 36.38 34.53 1wps s VAL 100 CO 0.26 0.33 0.02 -0.83 -0.31 0.00 0.00 175.10 174.56 1wps s GLY 101 N 1.35 1.85 -0.24 2.32 0.00 -1.21 -3.44 107.32 107.95 1wps s GLY 101 Ca 0.02 -2.24 -0.10 0.00 0.00 0.00 0.00 44.72 42.41 1wps s GLY 101 CO -0.06 0.83 0.14 1.08 0.00 0.00 0.00 173.10 175.09 1wps s LEU 102 N 1.02 3.94 -0.16 0.66 1.43 0.58 -2.35 118.68 123.80 1wps s LEU 102 Ca 0.03 0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1wps s LEU 102 Cb -0.20 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1wps s LEU 102 CO -0.06 0.05 0.10 -0.60 0.23 0.00 0.00 176.35 176.06 1wps s ARG 103 N 1.16 3.79 0.20 1.70 3.52 -1.19 0.22 118.95 128.36 1wps s ARG 103 Ca 0.06 -0.25 0.04 0.00 -0.13 0.00 0.00 55.73 55.45 1wps s ARG 103 Cb -0.14 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 1wps s ARG 103 CO 0.05 0.47 -0.03 -0.59 -0.81 0.00 0.00 175.30 174.38 1wps s PHE 104 N -0.15 1.42 -0.00 5.12 -0.12 -0.33 -0.84 117.98 123.07 1wps s PHE 104 Ca 0.09 -0.89 -0.01 0.00 -0.05 0.00 0.00 56.93 56.07 1wps s PHE 104 Cb -0.12 -0.80 -0.00 0.00 -0.63 0.00 0.00 43.02 41.48 1wps s PHE 104 CO 0.01 -0.03 0.02 0.00 -0.05 0.00 0.00 175.22 175.16 1wps s ALA 105 N -3.43 -0.03 0.00 1.99 0.00 -0.67 -2.29 121.76 117.33 1wps s ALA 105 Ca 0.24 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1wps s ALA 105 Cb 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1wps s ALA 105 CO 0.06 -0.04 -0.11 0.08 0.00 0.00 0.00 175.76 175.75 1wps s VAL 106 N -0.24 0.90 -0.05 0.00 1.01 -0.06 -1.88 120.40 120.08 1wps s VAL 106 Ca -0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1wps s VAL 106 Cb -0.02 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.63 1wps s VAL 106 CO -0.00 0.19 0.09 -0.22 0.00 0.00 0.00 175.10 175.16 1wps s LEU 107 N -0.44 0.61 -0.07 3.92 2.96 -0.81 -2.24 118.68 122.62 1wps s LEU 107 Ca 0.03 0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.16 1wps s LEU 107 Cb -0.05 0.10 -0.00 0.00 0.50 0.00 0.00 46.19 46.74 1wps s LEU 107 CO -0.00 -0.18 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.05 1wps s ARG 108 N 1.50 2.35 0.00 1.98 3.00 -0.47 -0.91 118.95 126.41 1wps s ARG 108 Ca -0.05 -0.72 0.00 0.00 -1.00 0.00 0.00 55.73 53.96 1wps s ARG 108 Cb -0.12 -1.90 0.00 0.00 0.00 0.00 0.00 34.95 32.93 1wps s ARG 108 CO -0.04 0.21 0.00 0.41 0.00 0.00 0.00 175.30 175.88 1wps n GLY 109 N 3.36 -1.79 3.41 8.12 0.00 -0.77 -0.88 105.19 116.63 1wps n GLY 109 Ca -0.19 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 1wps n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wps s ASN 110 N -1.81 4.45 -1.59 1.61 3.04 -1.26 0.83 114.94 120.21 1wps s ASN 110 Ca 0.00 -0.26 -0.10 0.00 0.04 0.00 0.00 52.86 52.54 1wps s ASN 110 Cb 0.00 -1.73 -0.08 0.00 -1.54 0.00 0.00 41.25 37.90 1wps s ASN 110 CO 0.00 0.11 2.91 -2.65 -3.04 0.00 0.00 177.10 174.42 1wps n PRO 111 N 3.94 3.61 -1.66 0.43 -0.02 -1.26 -4.90 135.00 135.14 1wps n PRO 111 Ca -0.18 -2.19 -0.43 0.00 -2.02 0.00 0.00 63.50 58.68 1wps n PRO 111 Cb 0.52 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.16 1wps n PRO 111 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1wps n TYR 112 N 3.71 2.46 -0.04 6.00 9.36 -1.26 -4.87 117.16 132.51 1wps n TYR 112 Ca 0.77 -0.31 -0.09 0.00 3.32 0.00 0.00 57.90 61.59 1wps n TYR 112 Cb 0.23 -2.78 -0.03 0.00 -0.63 0.00 0.00 39.34 36.13 1wps n TYR 112 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1wps n GLU 113 N 7.47 0.31 0.20 2.98 0.00 -1.26 -5.01 120.64 125.34 1wps n GLU 113 Ca 0.21 0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.50 1wps n GLU 113 Cb 0.39 -1.04 0.00 0.00 0.00 0.00 0.00 31.44 30.79 1wps n GLU 113 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1wps n SER 114 N -3.96 -3.64 -0.32 -1.84 3.41 -1.26 -4.97 113.62 101.05 1wps n SER 114 Ca -0.15 0.78 0.19 0.00 -0.26 0.00 0.00 58.87 59.43 1wps n SER 114 Cb 0.42 3.45 0.39 0.00 -0.26 0.00 0.00 64.21 68.21 1wps n SER 114 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1wps h GLU 115 N 0.00 0.18 -6.65 4.33 4.81 -1.97 -3.46 114.58 111.82 1wps h GLU 115 Ca 0.00 -0.01 -0.47 0.00 -0.13 0.00 0.00 59.36 58.75 1wps h GLU 115 Cb 0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1wps h GLU 115 CO 0.00 0.12 -0.99 0.00 -0.73 0.00 0.00 179.01 177.41 1wps n ALA 116 N -2.58 -2.74 0.15 2.92 0.00 -1.26 -4.89 120.51 112.12 1wps n ALA 116 Ca 0.27 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 1wps n ALA 116 Cb 0.88 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1wps n ALA 116 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wps h GLU 117 N -0.75 -0.44 0.00 0.00 5.08 -1.98 -3.50 114.58 112.98 1wps h GLU 117 Ca -0.60 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 1wps h GLU 117 Cb 1.37 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1wps h GLU 117 CO 0.40 -0.19 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 1wps n GLY 118 N 0.38 2.08 3.97 -3.84 0.00 -1.26 -5.18 105.19 101.35 1wps n GLY 118 Ca -0.07 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 1wps n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wps s ASP 119 N 1.03 6.32 0.37 1.61 1.01 -1.26 -4.67 116.67 121.08 1wps s ASP 119 Ca 0.00 0.08 0.08 0.00 0.71 0.00 0.00 52.55 53.42 1wps s ASP 119 Cb 0.00 -1.86 -0.06 0.00 1.01 0.00 0.00 42.92 42.01 1wps s ASP 119 CO 0.00 -0.06 0.02 0.26 0.21 0.00 0.00 175.17 175.60 1wps s TRP 120 N -1.97 2.53 -0.03 4.23 0.51 0.24 -1.40 118.94 123.05 1wps s TRP 120 Ca 0.34 -0.51 0.01 0.00 -2.12 0.00 0.00 56.10 53.81 1wps s TRP 120 Cb -0.09 -1.60 0.02 0.00 -0.81 0.00 0.00 33.47 30.99 1wps s TRP 120 CO 0.29 0.44 -0.02 -1.50 -0.51 0.00 0.00 176.95 175.65 1wps s ILE 121 N -2.58 0.32 -0.20 2.03 1.10 0.60 -1.85 121.20 120.62 1wps s ILE 121 Ca 0.35 -0.01 -0.01 0.00 -0.51 0.00 0.00 60.65 60.48 1wps s ILE 121 Cb 0.03 -0.38 0.05 0.00 0.15 0.00 0.00 42.46 42.31 1wps s ILE 121 CO 0.19 0.17 -0.02 0.00 -2.11 0.00 0.00 174.94 173.17 1wps s ALA 122 N 0.92 1.48 -0.19 1.50 0.00 -0.09 -0.89 121.76 124.49 1wps s ALA 122 Ca -0.10 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 1wps s ALA 122 Cb -0.14 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 1wps s ALA 122 CO -0.01 -1.06 -0.02 0.08 0.00 0.00 0.00 175.76 174.75 1wps s VAL 123 N 1.63 3.80 -0.01 0.00 1.01 0.34 -1.92 120.40 125.25 1wps s VAL 123 Ca -0.02 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1wps s VAL 123 Cb -0.17 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1wps s VAL 123 CO -0.07 0.45 -0.07 -0.94 0.00 0.00 0.00 175.10 174.47 1wps s SER 124 N 0.87 0.85 0.18 3.32 1.04 -0.78 0.20 113.70 119.37 1wps s SER 124 Ca -0.00 -0.13 0.10 0.00 0.48 0.00 0.00 55.95 56.40 1wps s SER 124 Cb -0.14 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 1wps s SER 124 CO 0.02 0.08 -0.22 -0.76 0.98 0.00 0.00 173.24 173.33 1wps s LEU 125 N -0.07 2.43 -0.34 2.42 1.43 0.98 -1.68 118.68 123.84 1wps s LEU 125 Ca 0.01 -0.85 0.05 0.00 -1.03 0.00 0.00 54.13 52.31 1wps s LEU 125 Cb -0.04 -1.04 0.17 0.00 0.03 0.00 0.00 46.19 45.32 1wps s LEU 125 CO -0.00 0.07 0.50 -0.47 0.23 0.00 0.00 176.35 176.67 1wps s TYR 126 N -1.76 -1.23 0.01 0.29 5.04 -0.02 -1.60 117.35 118.07 1wps s TYR 126 Ca 0.18 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.02 1wps s TYR 126 Cb -0.07 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.25 1wps s TYR 126 CO 0.08 -1.06 0.00 0.41 -1.34 0.00 0.00 175.55 173.65 1wps n GLY 127 N 4.86 4.01 3.33 8.97 0.00 -1.19 -3.14 105.19 122.03 1wps n GLY 127 Ca 0.07 -2.21 -0.18 0.00 0.00 0.00 0.00 46.02 43.70 1wps n GLY 127 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wps s THR 128 N -0.88 1.66 -0.10 2.61 -1.32 -0.99 -2.04 115.64 114.57 1wps s THR 128 Ca 0.00 -2.19 0.00 0.00 -1.21 0.00 0.00 61.69 58.30 1wps s THR 128 Cb -0.00 -2.01 0.02 0.00 -1.51 0.00 0.00 72.50 69.00 1wps s THR 128 CO 0.00 -0.62 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.08 1wps s ILE 129 N -3.02 1.05 -0.09 5.08 1.01 0.22 -3.29 121.20 122.16 1wps s ILE 129 Ca 0.22 -0.34 -0.25 0.00 0.00 0.00 0.00 60.65 60.28 1wps s ILE 129 Cb -0.00 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 1wps s ILE 129 CO 0.06 0.36 0.76 -0.83 0.00 0.00 0.00 174.94 175.29 1wps s GLY 130 N 1.41 2.51 0.36 6.18 0.00 -1.08 0.74 107.32 117.45 1wps s GLY 130 Ca -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 44.72 44.82 1wps s GLY 130 CO -0.05 1.36 0.62 0.00 0.00 0.00 0.00 173.10 175.03 1wps s ALA 131 N 1.19 3.58 0.53 3.20 0.00 -0.65 -4.39 121.76 125.22 1wps s ALA 131 Ca 0.39 -0.65 0.21 0.00 0.00 0.00 0.00 51.96 51.92 1wps s ALA 131 Cb -0.18 -2.33 1.36 0.00 0.00 0.00 0.00 23.12 21.98 1wps s ALA 131 CO 0.18 -0.00 2.09 -1.00 0.00 0.00 0.00 175.76 177.02 1wps h PRO 132 N 0.99 0.00 -7.15 0.00 0.13 -1.97 -3.42 132.00 120.58 1wps h PRO 132 Ca -0.48 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.17 1wps h PRO 132 Cb 1.20 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.36 1wps h PRO 132 CO 0.63 0.00 0.37 0.42 -0.23 0.00 0.00 178.00 179.20 1wps s ILE 133 N -5.00 4.09 0.61 -3.56 -1.09 -1.26 -5.03 121.20 109.95 1wps s ILE 133 Ca -0.05 1.09 -0.15 0.00 -2.23 0.00 0.00 60.65 59.31 1wps s ILE 133 Cb 0.18 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 1wps s ILE 133 CO 0.68 -0.49 1.06 -0.75 -1.23 0.00 0.00 174.94 174.21 1wps s LYS 134 N -3.80 3.26 -1.54 2.79 2.20 -1.26 -3.77 119.74 117.62 1wps s LYS 134 Ca 0.63 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.42 1wps s LYS 134 Cb -0.13 -2.03 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 1wps s LYS 134 CO 0.29 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 1wps n GLY 135 N -1.06 -0.31 2.92 5.54 0.00 -1.26 -4.98 105.19 106.04 1wps n GLY 135 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1wps n GLY 135 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wps s LEU 136 N -5.74 1.32 0.07 0.99 2.96 -1.25 -5.11 118.68 111.92 1wps s LEU 136 Ca 0.00 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1wps s LEU 136 Cb 0.00 -0.61 -0.03 0.00 0.50 0.00 0.00 46.19 46.05 1wps s LEU 136 CO 0.00 -0.05 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.27 1wps s GLU 137 N 1.07 0.73 -0.05 1.98 2.02 -1.26 -1.64 118.70 121.56 1wps s GLU 137 Ca -0.08 -1.00 0.05 0.00 0.02 0.00 0.00 54.97 53.95 1wps s GLU 137 Cb -0.14 -0.48 -0.01 0.00 0.10 0.00 0.00 34.13 33.60 1wps s GLU 137 CO -0.01 0.08 -0.20 -1.01 0.02 0.00 0.00 175.26 174.15 1wps s HIS 138 N -1.98 1.96 0.11 1.61 3.76 0.23 -4.90 115.29 116.07 1wps s HIS 138 Ca -0.01 -0.57 -0.18 0.00 -0.15 0.00 0.00 55.06 54.15 1wps s HIS 138 Cb -0.06 -1.30 -0.07 0.00 1.11 0.00 0.00 32.58 32.26 1wps s HIS 138 CO 0.00 -0.19 0.57 -1.21 -0.85 0.00 0.00 174.74 173.07 1wps s GLU 139 N -0.02 4.13 0.12 1.40 2.02 -1.26 0.70 118.70 125.80 1wps s GLU 139 Ca -0.04 0.67 0.08 0.00 0.02 0.00 0.00 54.97 55.70 1wps s GLU 139 Cb -0.12 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 1wps s GLU 139 CO 0.03 0.57 -0.20 0.95 0.02 0.00 0.00 175.26 176.63 1wps s THR 140 N -1.25 1.74 -0.22 3.63 -4.23 -0.87 -4.94 115.64 109.50 1wps s THR 140 Ca 0.33 -1.68 -0.14 0.00 -1.18 0.00 0.00 61.69 59.02 1wps s THR 140 Cb -0.18 -1.66 0.07 0.00 1.34 0.00 0.00 72.50 72.07 1wps s THR 140 CO 0.19 -0.16 0.56 0.12 -0.54 0.00 0.00 174.62 174.79 1wps s PHE 141 N -1.50 -0.80 0.00 3.99 5.36 -1.26 -3.19 117.98 120.58 1wps s PHE 141 Ca 0.10 1.69 -0.11 0.00 -0.96 0.00 0.00 56.93 57.65 1wps s PHE 141 Cb -0.08 0.41 0.01 0.00 -0.34 0.00 0.00 43.02 43.02 1wps s PHE 141 CO 0.05 -0.41 0.23 0.20 -1.46 0.00 0.00 175.22 173.82 1wps s GLY 142 N 1.30 -0.04 -0.09 13.12 0.00 -0.63 -3.83 107.32 117.15 1wps s GLY 142 Ca -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 44.72 44.64 1wps s GLY 142 CO -0.13 -0.14 0.18 0.14 0.00 0.00 0.00 173.10 173.15 1wps s VAL 143 N -1.61 -0.20 -0.14 1.40 1.01 -1.25 -0.02 120.40 119.59 1wps s VAL 143 Ca -0.12 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1wps s VAL 143 Cb -0.05 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 36.02 1wps s VAL 143 CO 0.02 0.11 -0.20 -0.83 0.00 0.00 0.00 175.10 174.20 1wps s GLY 144 N 1.89 1.39 -0.12 4.51 0.00 0.53 -3.99 107.32 111.53 1wps s GLY 144 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1wps s GLY 144 CO -0.07 -0.06 -0.12 -0.42 0.00 0.00 0.00 173.10 172.44 1wps s ILE 145 N 0.74 1.35 0.03 0.90 1.01 -1.26 0.13 121.20 124.09 1wps s ILE 145 Ca -0.08 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1wps s ILE 145 Cb -0.16 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1wps s ILE 145 CO 0.00 0.42 -0.04 0.21 0.00 0.00 0.00 174.94 175.53 1wps s ASN 146 N 1.40 0.43 -0.19 3.58 3.84 -0.07 -4.91 114.94 119.02 1wps s ASN 146 Ca 0.01 -0.48 -0.18 0.00 0.21 0.00 0.00 52.86 52.42 1wps s ASN 146 Cb -0.13 0.07 -0.03 0.00 -0.55 0.00 0.00 41.25 40.60 1wps s ASN 146 CO -0.07 -0.25 0.51 -2.28 -2.79 0.00 0.00 177.10 172.22 1wps s HIS 147 N -1.33 3.40 -2.00 0.43 5.65 -1.26 -0.29 115.29 119.88 1wps s HIS 147 Ca -0.13 0.79 0.22 0.00 0.25 0.00 0.00 55.06 56.19 1wps s HIS 147 Cb -0.09 -2.64 1.33 0.00 -1.18 0.00 0.00 32.58 29.99 1wps s HIS 147 CO -0.00 -0.05 1.70 -0.89 -0.65 0.00 0.00 174.74 174.85