#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujs n SER 2 N 0.00 1.80 -3.65 1.61 3.41 -1.26 -4.89 113.62 110.64 1ujs n SER 2 Ca 0.00 0.46 -0.08 0.00 -0.26 0.00 0.00 58.87 58.99 1ujs n SER 2 Cb 0.00 -1.18 -0.08 0.00 -0.26 0.00 0.00 64.21 62.69 1ujs n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ujs s SER 3 N 7.08 -0.84 0.00 4.04 0.15 -1.26 -5.15 113.70 117.72 1ujs s SER 3 Ca 1.12 1.36 0.00 0.00 0.70 0.00 0.00 55.95 59.13 1ujs s SER 3 Cb -1.00 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1ujs s SER 3 CO 0.53 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1ujs n GLY 4 N 4.31 -0.41 4.49 9.45 0.00 -1.26 -5.02 105.19 116.75 1ujs n GLY 4 Ca -0.21 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1ujs n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujs n SER 5 N 0.00 -1.60 -4.13 1.61 2.88 -1.26 -4.90 113.62 106.22 1ujs n SER 5 Ca 0.00 -1.23 -0.10 0.00 -1.33 0.00 0.00 58.87 56.21 1ujs n SER 5 Cb 0.00 -1.70 -0.10 0.00 -0.75 0.00 0.00 64.21 61.66 1ujs n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ujs s SER 6 N -3.40 0.93 0.00 -3.46 0.15 -1.26 -5.17 113.70 101.49 1ujs s SER 6 Ca 0.72 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1ujs s SER 6 Cb -0.42 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1ujs s SER 6 CO 1.02 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.61 1ujs n GLY 7 N 0.24 6.05 4.28 9.45 0.00 -1.26 -4.84 105.19 119.11 1ujs n GLY 7 Ca -0.14 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.67 1ujs n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ujs n ASN 8 N 0.00 -1.69 -3.22 1.61 4.13 -1.26 -4.86 115.26 109.97 1ujs n ASN 8 Ca 0.00 -1.12 -0.04 0.00 1.68 0.00 0.00 54.58 55.11 1ujs n ASN 8 Cb 0.00 -2.31 0.02 0.00 -1.54 0.00 0.00 39.78 35.95 1ujs n ASN 8 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ujs n ALA 9 N -4.34 -2.57 -0.66 5.41 0.00 -1.26 -4.68 120.51 112.41 1ujs n ALA 9 Ca -0.05 -1.04 -0.17 0.00 0.00 0.00 0.00 53.44 52.18 1ujs n ALA 9 Cb 0.55 0.61 0.25 0.00 0.00 0.00 0.00 19.45 20.86 1ujs n ALA 9 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ujs n VAL 10 N -0.70 0.00 -2.14 0.00 0.24 -1.26 -4.99 118.33 109.48 1ujs n VAL 10 Ca -0.03 -0.21 -0.07 0.00 -2.04 0.00 0.00 64.34 62.00 1ujs n VAL 10 Cb 0.58 -1.04 0.08 0.00 -1.47 0.00 0.00 33.84 31.98 1ujs n VAL 10 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ujs n ASN 11 N -5.18 2.82 -4.66 -1.34 3.02 -1.26 -4.97 115.26 103.70 1ujs n ASN 11 Ca 0.13 -3.20 -0.42 0.00 -0.03 0.00 0.00 54.58 51.06 1ujs n ASN 11 Cb 0.54 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 1ujs n ASN 11 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1ujs s TRP 12 N -3.03 3.36 0.18 3.10 0.52 -1.26 -4.95 118.94 116.86 1ujs s TRP 12 Ca 0.40 1.24 -0.11 0.00 0.02 0.00 0.00 56.10 57.66 1ujs s TRP 12 Cb 0.38 -3.07 0.08 0.00 -1.15 0.00 0.00 33.47 29.71 1ujs s TRP 12 CO -0.04 -0.34 1.71 0.78 0.02 0.00 0.00 176.95 179.08 1ujs h GLY 13 N 8.84 1.03 0.00 0.98 0.00 -2.00 -3.29 103.07 108.63 1ujs h GLY 13 Ca -0.25 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1ujs h GLY 13 CO 0.87 0.57 0.00 1.03 0.00 0.00 0.00 176.54 179.02 1ujs n MET 14 N -4.38 0.00 -4.34 4.80 2.81 -1.26 -4.87 117.12 109.88 1ujs n MET 14 Ca 0.04 0.74 -0.20 0.00 -1.81 0.00 0.00 57.70 56.47 1ujs n MET 14 Cb 0.21 -1.44 -0.09 0.00 -0.71 0.00 0.00 33.22 31.19 1ujs n MET 14 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1ujs s ARG 15 N -2.77 1.68 -0.37 0.03 1.81 -1.24 -4.93 118.95 113.16 1ujs s ARG 15 Ca 0.00 -1.98 -0.05 0.00 -1.72 0.00 0.00 55.73 51.98 1ujs s ARG 15 Cb 0.00 -0.03 0.07 0.00 -0.45 0.00 0.00 34.95 34.54 1ujs s ARG 15 CO 0.00 -0.52 0.15 -2.00 -0.68 0.00 0.00 175.30 172.25 1ujs s GLU 16 N -3.70 2.39 -0.55 3.54 2.12 -1.26 -4.36 118.70 116.87 1ujs s GLU 16 Ca 0.35 -1.46 -0.18 0.00 0.36 0.00 0.00 54.97 54.04 1ujs s GLU 16 Cb 0.04 -3.51 0.10 0.00 0.26 0.00 0.00 34.13 31.02 1ujs s GLU 16 CO 0.20 -0.85 0.62 0.71 -0.54 0.00 0.00 175.26 175.40 1ujs s TYR 17 N 1.29 3.08 0.24 5.30 2.02 -1.26 -5.03 117.35 122.99 1ujs s TYR 17 Ca 0.02 -0.95 -0.31 0.00 -0.37 0.00 0.00 57.07 55.46 1ujs s TYR 17 Cb -0.21 -3.80 -0.14 0.00 -0.40 0.00 0.00 41.96 37.41 1ujs s TYR 17 CO -0.00 -1.15 1.31 1.17 -1.57 0.00 0.00 175.55 175.31 1ujs n LYS 18 N 5.98 1.82 -1.86 -0.62 4.81 -1.26 -4.21 118.16 122.82 1ujs n LYS 18 Ca -0.10 0.65 -0.43 0.00 -0.87 0.00 0.00 58.31 57.56 1ujs n LYS 18 Cb 0.43 -2.24 -0.03 0.00 0.02 0.00 0.00 35.03 33.21 1ujs n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1ujs s ILE 19 N -0.29 3.31 0.08 3.15 -1.09 -1.26 -4.70 121.20 120.40 1ujs s ILE 19 Ca 0.67 0.31 0.10 0.00 -2.23 0.00 0.00 60.65 59.50 1ujs s ILE 19 Cb -0.68 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 36.74 1ujs s ILE 19 CO 0.52 -0.27 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.41 1ujs s TYR 20 N 7.42 2.36 0.34 3.97 2.02 0.16 -5.02 117.35 128.61 1ujs s TYR 20 Ca 0.87 -0.37 -0.28 0.00 -0.37 0.00 0.00 57.07 56.93 1ujs s TYR 20 Cb -0.26 -1.35 -0.09 0.00 -0.40 0.00 0.00 41.96 39.86 1ujs s TYR 20 CO 0.34 0.24 1.21 -1.25 -1.57 0.00 0.00 175.55 174.52 1ujs s PRO 21 N -1.64 4.31 0.23 -1.71 0.04 -1.26 -4.13 135.00 130.84 1ujs s PRO 21 Ca 0.13 1.99 -0.08 0.00 0.04 0.00 0.00 61.00 63.09 1ujs s PRO 21 Cb -0.10 -2.96 0.39 0.00 0.04 0.00 0.00 34.50 31.87 1ujs s PRO 21 CO 0.05 -0.15 1.65 -0.92 0.04 0.00 0.00 177.00 177.67 1ujs h TYR 22 N 3.21 0.02 -0.11 0.56 3.20 -1.92 0.20 116.97 122.13 1ujs h TYR 22 Ca -0.48 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.45 1ujs h TYR 22 Cb 1.23 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 1ujs h TYR 22 CO 0.56 -0.18 -0.08 1.05 -1.64 0.00 0.00 178.16 177.87 1ujs h GLU 23 N 0.14 -0.01 0.00 1.82 4.11 -1.99 0.33 114.58 118.98 1ujs h GLU 23 Ca 0.38 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.80 1ujs h GLU 23 Cb 0.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1ujs h GLU 23 CO -0.59 -0.01 -0.07 1.37 0.07 0.00 0.00 179.01 179.79 1ujs h LEU 24 N -0.01 0.00 -0.32 3.06 8.10 -1.78 -1.77 115.31 122.59 1ujs h LEU 24 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.01 1ujs h LEU 24 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.28 1ujs h LEU 24 CO -0.11 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.46 1ujs n LEU 25 N -3.30 0.45 -4.74 0.17 4.77 0.94 -2.37 117.00 112.91 1ujs n LEU 25 Ca -0.01 -0.23 -0.29 0.00 -0.03 0.00 0.00 56.01 55.46 1ujs n LEU 25 Cb 0.26 -0.07 0.16 0.00 -2.33 0.00 0.00 43.42 41.43 1ujs n LEU 25 CO 0.28 0.11 0.69 -0.76 -1.33 0.00 0.00 177.39 176.37 1ujs s LEU 26 N -0.97 1.81 -0.23 2.23 1.43 0.11 -4.56 118.68 118.50 1ujs s LEU 26 Ca 0.05 1.02 0.19 0.00 -1.03 0.00 0.00 54.13 54.36 1ujs s LEU 26 Cb 0.03 -3.26 0.48 0.00 0.03 0.00 0.00 46.19 43.47 1ujs s LEU 26 CO 0.03 -2.83 1.14 0.55 0.23 0.00 0.00 176.35 175.48 1ujs n VAL 27 N -3.96 1.45 -1.56 -1.59 3.14 0.77 -4.66 118.33 111.93 1ujs n VAL 27 Ca 0.06 -2.97 -0.42 0.00 -2.96 0.00 0.00 64.34 58.05 1ujs n VAL 27 Cb 0.59 0.58 -0.04 0.00 -1.06 0.00 0.00 33.84 33.91 1ujs n VAL 27 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1ujs n THR 28 N -0.50 0.16 0.00 1.55 -2.24 -1.26 -4.87 114.28 107.13 1ujs n THR 28 Ca 0.16 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1ujs n THR 28 Cb 0.88 -2.47 0.00 0.00 -2.10 0.00 0.00 70.33 66.65 1ujs n THR 28 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ujs n THR 29 N 7.77 0.00 -1.53 4.28 -1.04 -1.26 -1.98 114.28 120.52 1ujs n THR 29 Ca 0.35 1.34 -0.16 0.00 -2.04 0.00 0.00 64.05 63.54 1ujs n THR 29 Cb 0.44 -1.80 0.14 0.00 -1.82 0.00 0.00 70.33 67.29 1ujs n THR 29 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1ujs n ARG 30 N -2.83 2.40 0.00 -2.82 0.00 -1.26 -4.97 116.66 107.18 1ujs n ARG 30 Ca 0.00 -3.40 0.00 0.00 -0.00 0.00 0.00 57.85 54.45 1ujs n ARG 30 Cb 0.00 -2.04 0.00 0.00 -0.00 0.00 0.00 32.46 30.42 1ujs n ARG 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ujs n GLY 31 N -1.01 1.73 1.65 2.89 0.00 -0.84 -5.02 105.19 104.59 1ujs n GLY 31 Ca 0.44 -1.69 -0.16 0.00 0.00 0.00 0.00 46.02 44.61 1ujs n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujs n ARG 32 N 0.00 2.98 -1.68 1.61 1.74 -1.26 -5.02 116.66 115.02 1ujs n ARG 32 Ca 0.00 -3.86 -0.43 0.00 -0.77 0.00 0.00 57.85 52.79 1ujs n ARG 32 Cb 0.00 -2.10 -0.01 0.00 -1.02 0.00 0.00 32.46 29.33 1ujs n ARG 32 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1ujs n ASN 33 N -0.84 2.56 -2.45 0.55 0.23 -1.26 -4.93 115.26 109.12 1ujs n ASN 33 Ca 0.38 1.20 -0.17 0.00 -0.53 0.00 0.00 54.58 55.46 1ujs n ASN 33 Cb 0.89 -1.45 0.02 0.00 -2.08 0.00 0.00 39.78 37.16 1ujs n ASN 33 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1ujs n ARG 34 N 0.76 2.70 -1.85 -3.83 0.00 -1.24 -5.04 116.66 108.17 1ujs n ARG 34 Ca 0.06 -3.96 -0.42 0.00 -0.00 0.00 0.00 57.85 53.53 1ujs n ARG 34 Cb 0.35 -1.93 -0.03 0.00 0.00 0.00 0.00 32.46 30.85 1ujs n ARG 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ujs s LEU 35 N -3.53 4.37 0.00 6.15 1.43 -1.00 -4.77 118.68 121.32 1ujs s LEU 35 Ca 0.41 2.75 -0.07 0.00 -1.03 0.00 0.00 54.13 56.19 1ujs s LEU 35 Cb 0.40 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 43.12 1ujs s LEU 35 CO -0.04 -0.88 0.37 -0.81 0.23 0.00 0.00 176.35 175.21 1ujs n PRO 36 N 3.66 -1.73 -0.49 1.29 -0.04 -1.26 -4.96 135.00 131.47 1ujs n PRO 36 Ca 0.13 -0.59 0.10 0.00 -0.04 0.00 0.00 63.50 63.10 1ujs n PRO 36 Cb 0.37 -0.55 0.32 0.00 -0.04 0.00 0.00 33.50 33.60 1ujs n PRO 36 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ujs n LYS 37 N -2.63 3.31 -0.14 0.54 2.85 -1.26 -4.17 118.16 116.67 1ujs n LYS 37 Ca 0.05 -2.73 0.05 0.00 -1.05 0.00 0.00 58.31 54.63 1ujs n LYS 37 Cb 0.20 -1.73 0.07 0.00 -0.65 0.00 0.00 35.03 32.92 1ujs n LYS 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1ujs n ASP 38 N 1.11 1.59 -4.89 -5.58 2.03 -1.26 -5.06 116.55 104.50 1ujs n ASP 38 Ca 0.24 -2.45 -0.27 0.00 0.52 0.00 0.00 54.79 52.83 1ujs n ASP 38 Cb 0.76 -0.25 -0.04 0.00 -0.72 0.00 0.00 41.12 40.87 1ujs n ASP 38 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ujs s VAL 39 N -1.64 5.01 -0.38 5.18 -7.23 -1.26 -4.48 120.40 115.60 1ujs s VAL 39 Ca 0.16 -0.81 -0.07 0.00 -1.81 0.00 0.00 61.98 59.45 1ujs s VAL 39 Cb 0.14 -3.56 0.07 0.00 0.56 0.00 0.00 36.38 33.58 1ujs s VAL 39 CO 0.01 -0.08 0.18 -1.81 -0.31 0.00 0.00 175.10 173.10 1ujs s ASP 40 N -3.12 5.42 0.54 4.85 1.11 -1.26 -4.94 116.67 119.27 1ujs s ASP 40 Ca 0.33 -1.45 0.17 0.00 0.18 0.00 0.00 52.55 51.79 1ujs s ASP 40 Cb -0.11 -1.91 0.94 0.00 1.07 0.00 0.00 42.92 42.92 1ujs s ASP 40 CO 0.26 -0.45 1.48 0.03 1.18 0.00 0.00 175.17 177.67 1ujs h ARG 41 N 8.26 0.00 0.00 8.23 2.47 -1.98 1.42 114.38 132.78 1ujs h ARG 41 Ca -0.21 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.41 1ujs h ARG 41 Cb 1.08 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.38 1ujs h ARG 41 CO 0.68 0.00 -2.02 0.25 0.56 0.00 0.00 179.97 179.44 1ujs n THR 42 N -2.48 0.43 -1.92 2.04 -2.24 -1.26 -3.58 114.28 105.27 1ujs n THR 42 Ca -0.01 -0.60 0.02 0.00 -2.27 0.00 0.00 64.05 61.19 1ujs n THR 42 Cb 0.50 -0.16 0.14 0.00 -2.10 0.00 0.00 70.33 68.70 1ujs n THR 42 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ujs n ARG 43 N -2.43 1.41 -0.24 -0.78 5.12 0.38 -4.82 116.66 115.29 1ujs n ARG 43 Ca -0.11 -3.08 -0.01 0.00 -1.93 0.00 0.00 57.85 52.72 1ujs n ARG 43 Cb 0.73 -1.28 0.11 0.00 -1.16 0.00 0.00 32.46 30.85 1ujs n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1ujs h LEU 44 N 1.19 0.57 -1.71 0.55 3.38 0.11 -0.87 115.31 118.53 1ujs h LEU 44 Ca -0.03 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1ujs h LEU 44 Cb 1.29 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1ujs h LEU 44 CO 0.11 0.36 0.36 1.05 0.09 0.00 0.00 178.44 180.41 1ujs h GLU 45 N 0.70 0.33 0.00 1.13 4.11 -1.85 0.14 114.58 119.14 1ujs h GLU 45 Ca 0.31 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.71 1ujs h GLU 45 Cb 0.21 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1ujs h GLU 45 CO -0.19 0.22 -0.08 0.00 0.07 0.00 0.00 179.01 179.03 1ujs h ARG 46 N 0.34 0.00 0.00 1.06 3.08 -1.53 -1.05 114.38 116.28 1ujs h ARG 46 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1ujs h ARG 46 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1ujs h ARG 46 CO -0.06 0.08 0.00 0.72 -1.07 0.00 0.00 179.97 179.64 1ujs n HIS 47 N -3.45 0.00 -3.41 3.04 8.25 0.48 -4.74 115.22 115.40 1ujs n HIS 47 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 1ujs n HIS 47 Cb 0.22 -0.18 -0.07 0.00 1.12 0.00 0.00 29.99 31.09 1ujs n HIS 47 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ujs s LEU 48 N -2.36 4.24 0.34 2.41 1.43 -0.40 0.39 118.68 124.72 1ujs s LEU 48 Ca 0.31 0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 53.77 1ujs s LEU 48 Cb 0.18 -2.54 -0.11 0.00 0.03 0.00 0.00 46.19 43.75 1ujs s LEU 48 CO 0.37 0.02 1.48 -0.94 0.23 0.00 0.00 176.35 177.51 1ujs s SER 49 N 0.66 6.44 0.57 2.29 1.04 -1.26 -4.26 113.70 119.18 1ujs s SER 49 Ca 0.21 2.94 0.29 0.00 0.48 0.00 0.00 55.95 59.87 1ujs s SER 49 Cb -0.14 -2.65 0.98 0.00 0.10 0.00 0.00 66.02 64.30 1ujs s SER 49 CO 0.07 -0.82 1.27 0.00 0.98 0.00 0.00 173.24 174.74 1ujs n GLN 50 N 1.06 0.01 -0.03 4.02 6.02 -1.26 0.16 117.38 127.36 1ujs n GLN 50 Ca 0.03 0.98 -0.14 0.00 -0.01 0.00 0.00 57.00 57.85 1ujs n GLN 50 Cb 0.39 -2.41 -0.11 0.00 1.02 0.00 0.00 30.24 29.14 1ujs n GLN 50 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ujs h GLU 51 N 0.00 0.16 0.00 -1.09 4.39 -1.97 -3.28 114.58 112.79 1ujs h GLU 51 Ca 0.53 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 60.07 1ujs h GLU 51 Cb 2.91 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 31.59 1ujs h GLU 51 CO -0.01 0.84 -0.14 0.93 -1.16 0.00 0.00 179.01 179.47 1ujs h GLU 52 N -0.47 0.00 -1.45 2.33 4.39 0.13 -3.16 114.58 116.35 1ujs h GLU 52 Ca -0.02 0.00 0.45 0.00 0.34 0.00 0.00 59.36 60.14 1ujs h GLU 52 Cb 0.88 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.44 1ujs h GLU 52 CO 0.04 0.63 1.00 0.34 -1.16 0.00 0.00 179.01 179.85 1ujs n PHE 53 N -4.65 0.30 0.10 4.33 -0.00 0.11 0.24 117.46 117.89 1ujs n PHE 53 Ca -0.09 0.30 -0.24 0.00 -0.00 0.00 0.00 57.45 57.43 1ujs n PHE 53 Cb 0.33 -0.72 -0.15 0.00 -0.00 0.00 0.00 39.48 38.94 1ujs n PHE 53 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1ujs h TYR 54 N 0.00 0.82 0.00 -5.13 5.03 -1.60 -2.30 116.97 113.79 1ujs h TYR 54 Ca 0.78 -0.60 0.00 0.00 2.58 0.00 0.00 58.73 61.50 1ujs h TYR 54 Cb 2.85 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.10 1ujs h TYR 54 CO -0.00 1.61 0.00 1.96 -1.32 0.00 0.00 178.16 180.41 1ujs h GLN 55 N 0.08 0.00 0.00 1.82 4.20 0.31 1.88 115.11 123.40 1ujs h GLN 55 Ca -0.30 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.32 1ujs h GLN 55 Cb 2.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.86 1ujs h GLN 55 CO 0.21 0.00 -1.22 0.28 -0.67 0.00 0.00 178.83 177.44 1ujs n VAL 56 N -2.49 1.49 0.08 -0.54 0.31 -0.21 -4.65 118.33 112.32 1ujs n VAL 56 Ca -0.00 0.05 -0.14 0.00 -0.01 0.00 0.00 64.34 64.24 1ujs n VAL 56 Cb 0.13 -2.26 -0.14 0.00 -0.91 0.00 0.00 33.84 30.67 1ujs n VAL 56 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1ujs h PHE 57 N -1.00 0.36 0.00 3.52 -1.00 -1.40 -3.49 116.94 113.93 1ujs h PHE 57 Ca -0.15 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 60.37 1ujs h PHE 57 Cb 1.05 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.59 1ujs h PHE 57 CO -0.31 1.23 0.00 0.41 -1.61 0.00 0.00 178.31 178.03 1ujs n GLY 58 N 1.52 1.35 3.85 -1.45 0.00 0.64 -5.04 105.19 106.06 1ujs n GLY 58 Ca -0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 1ujs n GLY 58 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ujs s MET 59 N -0.72 1.53 -0.05 1.61 0.23 -1.19 -4.99 119.30 115.72 1ujs s MET 59 Ca 0.00 -0.97 -0.09 0.00 -1.03 0.00 0.00 55.69 53.60 1ujs s MET 59 Cb 0.00 0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 33.69 1ujs s MET 59 CO 0.00 -0.71 0.25 0.95 -2.03 0.00 0.00 175.02 173.47 1ujs s THR 60 N -2.36 5.32 0.37 3.16 -4.23 -1.26 -3.24 115.64 113.39 1ujs s THR 60 Ca 0.19 0.38 0.24 0.00 -1.18 0.00 0.00 61.69 61.32 1ujs s THR 60 Cb -0.03 -3.53 0.38 0.00 1.34 0.00 0.00 72.50 70.66 1ujs s THR 60 CO 0.06 0.55 1.47 0.00 -0.54 0.00 0.00 174.62 176.16 1ujs n ILE 61 N 1.73 -0.34 -0.26 2.99 0.13 -1.26 0.17 119.36 122.53 1ujs n ILE 61 Ca -0.16 1.82 -0.01 0.00 -1.10 0.00 0.00 62.75 63.30 1ujs n ILE 61 Cb 0.54 -2.97 0.11 0.00 -0.84 0.00 0.00 39.64 36.49 1ujs n ILE 61 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1ujs h SER 62 N 0.00 0.63 0.53 9.51 0.02 -2.00 0.27 113.55 122.52 1ujs h SER 62 Ca 0.80 0.03 -0.26 0.00 -0.84 0.00 0.00 61.79 61.53 1ujs h SER 62 Cb 2.30 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.75 1ujs h SER 62 CO -0.62 0.40 -1.13 -0.33 -1.14 0.00 0.00 176.83 174.01 1ujs h GLU 63 N 0.76 0.31 0.00 3.45 4.39 0.14 -3.29 114.58 120.34 1ujs h GLU 63 Ca 0.33 -0.45 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1ujs h GLU 63 Cb 0.20 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1ujs h GLU 63 CO -0.19 1.17 -0.00 0.35 -1.16 0.00 0.00 179.01 179.19 1ujs h PHE 64 N 0.13 -0.00 0.00 4.33 3.04 -0.53 -1.42 116.94 122.48 1ujs h PHE 64 Ca -0.11 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.84 1ujs h PHE 64 Cb 1.82 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.33 1ujs h PHE 64 CO 0.06 0.04 0.02 0.22 -2.02 0.00 0.00 178.31 176.63 1ujs h ASP 65 N -0.04 0.00 -0.11 0.41 3.58 -1.06 0.30 116.42 119.49 1ujs h ASP 65 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ujs h ASP 65 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1ujs h ASP 65 CO 0.00 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.90 1ujs n ARG 66 N -2.30 1.73 -2.28 0.28 1.74 -0.54 -4.91 116.66 110.39 1ujs n ARG 66 Ca -0.01 -1.09 -0.26 0.00 -0.77 0.00 0.00 57.85 55.71 1ujs n ARG 66 Cb 0.06 -1.43 0.14 0.00 -1.02 0.00 0.00 32.46 30.21 1ujs n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ujs s LEU 67 N -1.73 2.85 0.12 0.55 1.43 0.10 -5.07 118.68 116.94 1ujs s LEU 67 Ca 0.34 -0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 53.21 1ujs s LEU 67 Cb 0.19 -2.20 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 1ujs s LEU 67 CO 0.29 -2.21 0.62 0.00 0.23 0.00 0.00 176.35 175.28 1ujs s ALA 68 N -3.47 3.54 0.19 4.21 0.00 -1.26 -4.81 121.76 120.15 1ujs s ALA 68 Ca 0.69 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 1ujs s ALA 68 Cb -0.05 -2.69 0.22 0.00 0.00 0.00 0.00 23.12 20.59 1ujs s ALA 68 CO 0.48 0.38 1.20 -0.11 0.00 0.00 0.00 175.76 177.72 1ujs n LEU 69 N 1.38 -0.47 -0.34 0.00 7.94 -1.26 0.23 117.00 124.49 1ujs n LEU 69 Ca -0.08 1.35 0.04 0.00 -1.11 0.00 0.00 56.01 56.22 1ujs n LEU 69 Cb 0.51 -0.33 0.19 0.00 0.53 0.00 0.00 43.42 44.33 1ujs n LEU 69 CO 0.42 -1.23 1.21 4.11 -1.11 0.00 0.00 177.39 180.80 1ujs h TRP 70 N 0.00 1.05 -0.05 1.96 5.08 -1.96 0.33 115.95 122.36 1ujs h TRP 70 Ca 0.29 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 60.27 1ujs h TRP 70 Cb 0.48 -0.33 -0.00 0.00 -3.00 0.00 0.00 29.16 26.31 1ujs h TRP 70 CO -0.67 0.46 -0.05 -0.22 -1.28 0.00 0.00 178.44 176.69 1ujs h LYS 71 N 0.97 0.13 0.00 0.12 1.63 0.25 0.72 116.57 120.39 1ujs h LYS 71 Ca 0.44 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 60.15 1ujs h LYS 71 Cb 0.36 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1ujs h LYS 71 CO -0.23 0.56 -0.14 0.00 -3.45 0.00 0.00 179.45 176.19 1ujs h ARG 72 N -0.31 0.00 0.00 1.90 3.08 0.04 0.11 114.38 119.21 1ujs h ARG 72 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1ujs h ARG 72 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1ujs h ARG 72 CO 0.01 0.14 -1.11 0.09 -1.07 0.00 0.00 179.97 178.04 1ujs n ASN 73 N -4.36 0.60 0.00 7.04 3.02 0.11 -3.82 115.26 117.85 1ujs n ASN 73 Ca -0.03 -0.01 -0.21 0.00 -0.03 0.00 0.00 54.58 54.31 1ujs n ASN 73 Cb 0.21 0.80 -0.14 0.00 -0.61 0.00 0.00 39.78 40.04 1ujs n ASN 73 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ujs h GLU 74 N 0.00 0.22 0.25 3.52 4.81 0.13 -3.27 114.58 120.24 1ujs h GLU 74 Ca 0.00 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1ujs h GLU 74 Cb 0.84 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 1ujs h GLU 74 CO 0.00 1.18 -0.15 -0.07 -0.73 0.00 0.00 179.01 179.24 1ujs h LEU 75 N -0.41 -0.36 -0.86 1.64 3.38 -0.98 -2.58 115.31 115.14 1ujs h LEU 75 Ca -0.27 0.02 0.17 0.00 0.09 0.00 0.00 57.88 57.89 1ujs h LEU 75 Cb 1.67 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 42.42 1ujs h LEU 75 CO 0.05 -0.24 0.43 0.11 0.09 0.00 0.00 178.44 178.88 1ujs h LYS 76 N -0.38 0.55 -0.36 1.13 1.57 -1.74 0.32 116.57 117.67 1ujs h LYS 76 Ca -0.03 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ujs h LYS 76 Cb 0.31 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1ujs h LYS 76 CO 0.03 0.36 0.24 0.87 -0.57 0.00 0.00 179.45 180.38 1ujs h LYS 77 N 0.56 0.44 0.00 3.15 1.57 -1.52 0.27 116.57 121.04 1ujs h LYS 77 Ca 0.49 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 59.06 1ujs h LYS 77 Cb 0.76 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1ujs h LYS 77 CO -0.41 0.29 -1.06 1.96 -0.57 0.00 0.00 179.45 179.66 1ujs h GLN 78 N 0.45 0.00 -0.50 3.15 4.20 -0.16 -3.25 115.11 119.00 1ujs h GLN 78 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1ujs h GLN 78 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1ujs h GLN 78 CO -0.03 0.63 0.00 0.00 -0.67 0.00 0.00 178.83 178.76 1ujs n ALA 79 N -2.36 2.62 -3.09 3.87 0.00 0.60 -4.90 120.51 117.25 1ujs n ALA 79 Ca -0.04 -0.81 -0.22 0.00 0.00 0.00 0.00 53.44 52.37 1ujs n ALA 79 Cb 0.88 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 19.35 1ujs n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ujs n ARG 80 N 0.65 -3.83 -0.09 0.00 1.74 -0.36 -4.77 116.66 110.01 1ujs n ARG 80 Ca 0.14 0.69 0.04 0.00 -0.77 0.00 0.00 57.85 57.95 1ujs n ARG 80 Cb 0.45 -5.45 0.08 0.00 -1.02 0.00 0.00 32.46 26.52 1ujs n ARG 80 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ujs n LEU 81 N -3.73 2.41 -4.20 0.55 4.77 0.81 0.27 117.00 117.88 1ujs n LEU 81 Ca -0.08 -2.35 -0.31 0.00 -0.03 0.00 0.00 56.01 53.23 1ujs n LEU 81 Cb 0.59 -0.19 -0.17 0.00 -2.33 0.00 0.00 43.42 41.32 1ujs n LEU 81 CO 0.45 0.61 -0.55 0.12 -1.33 0.00 0.00 177.39 176.69 1ujs s PHE 82 N -1.62 2.47 -0.19 -1.77 2.19 -1.12 -4.50 117.98 113.44 1ujs s PHE 82 Ca 0.15 -1.03 -0.11 0.00 0.33 0.00 0.00 56.93 56.28 1ujs s PHE 82 Cb 0.12 -1.66 -0.08 0.00 -1.31 0.00 0.00 43.02 40.09 1ujs s PHE 82 CO 0.04 -0.43 -0.27 0.45 1.83 0.00 0.00 175.22 176.85 1ujs n SER 83 N 3.60 1.50 0.00 6.13 2.88 -1.23 -4.81 113.62 121.69 1ujs n SER 83 Ca -0.19 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1ujs n SER 83 Cb 0.53 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1ujs n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujs n GLY 84 N 1.74 1.66 0.00 0.46 0.00 -1.26 -4.96 105.19 102.83 1ujs n GLY 84 Ca -0.36 -0.67 0.06 0.00 0.00 0.00 0.00 46.02 45.05 1ujs n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujs n PRO 85 N 0.03 0.49 -0.72 1.61 -0.04 -1.26 -3.61 135.00 131.50 1ujs n PRO 85 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1ujs n PRO 85 Cb 0.00 -1.41 0.03 0.00 -0.04 0.00 0.00 33.50 32.08 1ujs n PRO 85 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ujs n SER 86 N -0.91 5.79 -3.79 3.54 3.41 -1.26 -4.78 113.62 115.62 1ujs n SER 86 Ca 0.10 -2.82 -0.20 0.00 -0.26 0.00 0.00 58.87 55.69 1ujs n SER 86 Cb 0.04 -1.03 -0.17 0.00 -0.26 0.00 0.00 64.21 62.80 1ujs n SER 86 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ujs s SER 87 N 0.71 1.06 0.00 4.04 0.15 -1.24 -5.29 113.70 113.14 1ujs s SER 87 Ca 0.21 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1ujs s SER 87 Cb 0.16 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1ujs s SER 87 CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90