#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujs s SER 2 N 0.00 3.67 0.01 1.61 0.15 -1.26 -5.02 113.70 112.86 1ujs s SER 2 Ca 0.00 0.29 -0.27 0.00 0.70 0.00 0.00 55.95 56.67 1ujs s SER 2 Cb 0.00 -0.51 -0.15 0.00 -1.71 0.00 0.00 66.02 63.65 1ujs s SER 2 CO 0.00 -2.38 1.12 0.77 1.20 0.00 0.00 173.24 173.96 1ujs h SER 3 N -1.30 -0.78 0.00 5.45 4.64 -2.05 -3.49 113.55 116.01 1ujs h SER 3 Ca -0.44 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1ujs h SER 3 Cb 1.26 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1ujs h SER 3 CO 0.45 -0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1ujs n GLY 4 N -0.64 1.56 3.81 -0.77 0.00 -1.26 -5.19 105.19 102.70 1ujs n GLY 4 Ca -0.12 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 1ujs n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujs s SER 5 N 0.00 -0.09 -0.42 1.61 1.04 -1.26 -5.09 113.70 109.49 1ujs s SER 5 Ca 0.00 -0.90 -0.37 0.00 0.48 0.00 0.00 55.95 55.16 1ujs s SER 5 Cb 0.00 0.78 -0.16 0.00 0.10 0.00 0.00 66.02 66.74 1ujs s SER 5 CO 0.00 -1.49 1.77 -1.54 0.98 0.00 0.00 173.24 172.96 1ujs n SER 6 N -0.92 0.63 0.00 7.02 3.41 -1.26 -4.72 113.62 117.78 1ujs n SER 6 Ca -0.06 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1ujs n SER 6 Cb 0.60 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1ujs n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujs n GLY 7 N 6.19 -0.00 3.60 5.00 0.00 -1.26 -5.03 105.19 113.69 1ujs n GLY 7 Ca 0.45 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.20 -6.25 -3.75 1.61 4.13 -1.26 -4.97 115.26 103.57 1ujs n ASN 8 Ca 0.00 -0.55 -0.06 0.00 1.68 0.00 0.00 54.58 55.64 1ujs n ASN 8 Cb 0.00 -4.92 -0.02 0.00 -1.54 0.00 0.00 39.78 33.30 1ujs n ASN 8 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ujs s ALA 9 N -3.31 -1.45 0.43 5.41 0.00 -1.26 -4.84 121.76 116.73 1ujs s ALA 9 Ca 0.59 0.01 0.35 0.00 0.00 0.00 0.00 51.96 52.90 1ujs s ALA 9 Cb -0.26 0.75 1.88 0.00 0.00 0.00 0.00 23.12 25.49 1ujs s ALA 9 CO 0.72 -0.99 2.05 -0.39 0.00 0.00 0.00 175.76 177.16 1ujs h VAL 10 N 2.00 0.00 -4.62 0.00 -1.51 -1.92 -3.44 116.25 106.75 1ujs h VAL 10 Ca -0.23 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.09 1ujs h VAL 10 Cb 1.25 0.77 -0.10 0.00 -2.13 0.00 0.00 31.29 31.08 1ujs h VAL 10 CO 0.26 0.00 -0.23 0.59 -1.23 0.00 0.00 177.57 176.96 1ujs n ASN 11 N -2.78 -0.93 -4.57 4.19 3.02 -1.26 -4.72 115.26 108.21 1ujs n ASN 11 Ca -0.02 -0.08 -0.48 0.00 -0.03 0.00 0.00 54.58 53.97 1ujs n ASN 11 Cb 0.14 -0.87 -0.03 0.00 -0.61 0.00 0.00 39.78 38.41 1ujs n ASN 11 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1ujs n TRP 12 N -2.23 1.15 -0.16 3.10 7.02 -1.13 -4.85 117.44 120.34 1ujs n TRP 12 Ca 0.03 0.71 -0.03 0.00 -1.02 0.00 0.00 57.50 57.19 1ujs n TRP 12 Cb 0.35 -2.25 0.03 0.00 -2.42 0.00 0.00 31.31 27.02 1ujs n TRP 12 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1ujs h GLY 13 N 2.82 0.30 0.00 6.99 0.00 -2.03 -3.15 103.07 108.00 1ujs h GLY 13 Ca -0.41 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1ujs h GLY 13 CO 0.66 -0.20 0.00 1.03 0.00 0.00 0.00 176.54 178.04 1ujs n MET 14 N -5.37 0.00 -3.98 4.80 2.81 -1.26 -4.94 117.12 109.17 1ujs n MET 14 Ca 0.04 0.37 -0.21 0.00 -1.81 0.00 0.00 57.70 56.08 1ujs n MET 14 Cb 0.28 -1.36 -0.06 0.00 -0.71 0.00 0.00 33.22 31.37 1ujs n MET 14 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1ujs n ARG 15 N -1.59 0.70 -3.87 0.03 5.12 -1.19 -5.12 116.66 110.74 1ujs n ARG 15 Ca 0.00 -2.82 -0.34 0.00 -1.93 0.00 0.00 57.85 52.76 1ujs n ARG 15 Cb 0.00 1.41 -0.13 0.00 -1.16 0.00 0.00 32.46 32.58 1ujs n ARG 15 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1ujs s GLU 16 N -3.29 1.84 -0.57 5.56 2.12 -1.26 -2.84 118.70 120.25 1ujs s GLU 16 Ca 0.14 -1.92 -0.20 0.00 0.36 0.00 0.00 54.97 53.35 1ujs s GLU 16 Cb 0.01 -3.44 0.08 0.00 0.26 0.00 0.00 34.13 31.03 1ujs s GLU 16 CO 0.10 -1.03 0.76 0.71 -0.54 0.00 0.00 175.26 175.26 1ujs s TYR 17 N 0.91 2.92 0.66 5.30 2.02 -1.26 -5.01 117.35 122.89 1ujs s TYR 17 Ca 0.10 -0.65 -0.17 0.00 -0.37 0.00 0.00 57.07 55.98 1ujs s TYR 17 Cb -0.21 -3.93 -0.06 0.00 -0.40 0.00 0.00 41.96 37.36 1ujs s TYR 17 CO -0.05 -1.29 0.56 1.17 -1.57 0.00 0.00 175.55 174.37 1ujs n LYS 18 N 6.68 0.43 -2.50 -0.62 4.81 -1.26 -4.25 118.16 121.44 1ujs n LYS 18 Ca -0.06 0.18 -0.43 0.00 -0.87 0.00 0.00 58.31 57.13 1ujs n LYS 18 Cb 0.44 -1.81 -0.02 0.00 0.02 0.00 0.00 35.03 33.66 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 -1.80 4.04 0.09 3.15 -1.09 -1.26 -4.59 121.20 119.74 1ujs s ILE 19 Ca 0.68 1.02 0.10 0.00 -2.23 0.00 0.00 60.65 60.21 1ujs s ILE 19 Cb -0.39 -4.50 -0.04 0.00 -1.58 0.00 0.00 42.46 35.95 1ujs s ILE 19 CO 0.56 -1.02 -0.25 -0.31 -1.23 0.00 0.00 174.94 172.69 1ujs s TYR 20 N 5.01 2.37 0.37 3.97 2.02 0.13 -5.00 117.35 126.22 1ujs s TYR 20 Ca 0.51 -0.36 -0.27 0.00 -0.37 0.00 0.00 57.07 56.58 1ujs s TYR 20 Cb -0.09 -1.34 -0.09 0.00 -0.40 0.00 0.00 41.96 40.04 1ujs s TYR 20 CO 0.30 0.26 1.20 -1.25 -1.57 0.00 0.00 175.55 174.49 1ujs s PRO 21 N -1.71 4.20 0.24 -1.71 0.04 -1.26 -4.16 135.00 130.64 1ujs s PRO 21 Ca 0.14 1.95 -0.05 0.00 0.04 0.00 0.00 61.00 63.08 1ujs s PRO 21 Cb -0.10 -2.85 0.45 0.00 0.04 0.00 0.00 34.50 32.04 1ujs s PRO 21 CO 0.05 -0.23 1.70 -0.92 0.04 0.00 0.00 177.00 177.64 1ujs h TYR 22 N 2.98 0.35 -0.28 0.56 3.20 -1.92 0.21 116.97 122.08 1ujs h TYR 22 Ca -0.49 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.45 1ujs h TYR 22 Cb 1.23 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.42 1ujs h TYR 22 CO 0.56 -0.03 -0.24 1.05 -1.64 0.00 0.00 178.16 177.85 1ujs h GLU 23 N 0.33 -0.10 0.00 1.82 4.11 -1.99 0.21 114.58 118.96 1ujs h GLU 23 Ca 0.41 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.83 1ujs h GLU 23 Cb 0.67 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1ujs h GLU 23 CO -0.47 -0.07 -0.07 1.37 0.07 0.00 0.00 179.01 179.84 1ujs h LEU 24 N -0.10 0.00 -0.42 3.06 8.10 -1.80 -2.27 115.31 121.88 1ujs h LEU 24 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.04 1ujs h LEU 24 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.44 1ujs h LEU 24 CO -0.31 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.27 1ujs n LEU 25 N -3.23 0.60 -4.70 0.17 4.77 0.72 -2.52 117.00 112.81 1ujs n LEU 25 Ca 0.00 -0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 55.39 1ujs n LEU 25 Cb 0.32 -0.09 0.17 0.00 -2.33 0.00 0.00 43.42 41.49 1ujs n LEU 25 CO 0.29 0.15 0.66 -0.76 -1.33 0.00 0.00 177.39 176.39 1ujs s LEU 26 N -0.98 1.68 0.00 2.23 1.43 0.08 -4.62 118.68 118.50 1ujs s LEU 26 Ca 0.07 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1ujs s LEU 26 Cb 0.04 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1ujs s LEU 26 CO 0.05 -3.00 0.12 0.55 0.23 0.00 0.00 176.35 174.30 1ujs n VAL 27 N -4.08 0.00 -1.46 -1.59 3.14 0.71 -4.76 118.33 110.29 1ujs n VAL 27 Ca 0.05 -0.18 -0.43 0.00 -2.96 0.00 0.00 64.34 60.82 1ujs n VAL 27 Cb 0.58 1.43 -0.15 0.00 -1.06 0.00 0.00 33.84 34.65 1ujs n VAL 27 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1ujs n THR 28 N -0.11 0.00 -0.16 1.55 5.66 -1.26 -4.78 114.28 115.17 1ujs n THR 28 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1ujs n THR 28 Cb 0.11 -0.50 -0.04 0.00 -1.55 0.00 0.00 70.33 68.35 1ujs n THR 28 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1ujs h THR 29 N 7.85 0.00 -0.23 1.09 2.02 -1.97 0.45 112.91 122.13 1ujs h THR 29 Ca -0.06 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 1ujs h THR 29 Cb 1.32 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 1ujs h THR 29 CO 1.35 0.00 0.19 -2.11 0.37 0.00 0.00 175.52 175.32 1ujs n ARG 30 N -3.97 1.37 -4.71 6.66 1.85 -1.26 -4.84 116.66 111.76 1ujs n ARG 30 Ca 0.00 -0.75 -0.24 0.00 -1.00 0.00 0.00 57.85 55.87 1ujs n ARG 30 Cb 0.12 -1.29 -0.15 0.00 -1.05 0.00 0.00 32.46 30.09 1ujs n ARG 30 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1ujs s GLY 31 N 0.95 0.87 -0.70 2.89 0.00 0.16 -5.03 107.32 106.46 1ujs s GLY 31 Ca 0.15 -0.80 -0.28 0.00 0.00 0.00 0.00 44.72 43.78 1ujs s GLY 31 CO 0.00 -0.70 1.92 -2.13 0.00 0.00 0.00 173.10 172.20 1ujs n ARG 32 N 2.41 0.06 -3.17 2.90 0.00 -1.26 -4.80 116.66 112.81 1ujs n ARG 32 Ca -0.16 -1.44 -0.39 0.00 -0.00 0.00 0.00 57.85 55.86 1ujs n ARG 32 Cb 0.54 -3.42 -0.06 0.00 0.00 0.00 0.00 32.46 29.52 1ujs n ARG 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ujs s ASN 33 N 7.96 7.17 -0.29 6.15 2.20 -1.26 -4.99 114.94 131.88 1ujs s ASN 33 Ca 0.77 1.40 0.07 0.00 -0.94 0.00 0.00 52.86 54.16 1ujs s ASN 33 Cb 0.02 -2.41 0.46 0.00 -2.00 0.00 0.00 41.25 37.32 1ujs s ASN 33 CO 0.24 0.23 1.19 0.54 -2.94 0.00 0.00 177.10 176.37 1ujs n ARG 34 N 1.58 3.55 -1.68 3.55 3.00 -1.25 -5.06 116.66 120.34 1ujs n ARG 34 Ca -0.08 -4.14 -0.45 0.00 -0.01 0.00 0.00 57.85 53.17 1ujs n ARG 34 Cb 0.50 -2.26 -0.04 0.00 0.00 0.00 0.00 32.46 30.67 1ujs n ARG 34 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1ujs n LEU 35 N -0.72 3.46 0.00 0.55 4.77 -1.05 -4.84 117.00 119.17 1ujs n LEU 35 Ca 0.43 1.06 -0.08 0.00 -0.03 0.00 0.00 56.01 57.39 1ujs n LEU 35 Cb 0.96 -1.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.64 1ujs n LEU 35 CO 0.39 -0.10 0.15 -0.81 -1.33 0.00 0.00 177.39 175.69 1ujs n PRO 36 N 4.08 -1.56 -0.37 3.23 -0.04 -1.26 -4.97 135.00 134.12 1ujs n PRO 36 Ca 0.17 -0.44 0.10 0.00 -0.04 0.00 0.00 63.50 63.29 1ujs n PRO 36 Cb 0.31 -0.41 0.28 0.00 -0.04 0.00 0.00 33.50 33.64 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 -2.35 2.95 -0.15 0.54 2.85 -1.26 -4.22 118.16 116.52 1ujs n LYS 37 Ca 0.04 -2.55 0.07 0.00 -1.05 0.00 0.00 58.31 54.82 1ujs n LYS 37 Cb 0.15 -1.56 0.10 0.00 -0.65 0.00 0.00 35.03 33.07 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 1.20 1.79 -4.85 -5.58 2.03 -1.26 -5.05 116.55 104.83 1ujs n ASP 38 Ca 0.21 -2.74 -0.27 0.00 0.52 0.00 0.00 54.79 52.51 1ujs n ASP 38 Cb 0.63 -0.34 -0.05 0.00 -0.72 0.00 0.00 41.12 40.64 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 -2.09 4.85 -0.39 5.18 -7.23 -1.26 -4.56 120.40 114.91 1ujs s VAL 39 Ca 0.22 -0.84 -0.09 0.00 -1.81 0.00 0.00 61.98 59.46 1ujs s VAL 39 Cb 0.20 -3.46 0.05 0.00 0.56 0.00 0.00 36.38 33.73 1ujs s VAL 39 CO 0.02 -0.05 0.21 -1.81 -0.31 0.00 0.00 175.10 173.17 1ujs s ASP 40 N -2.99 5.61 0.44 4.85 1.11 -1.26 -4.93 116.67 119.50 1ujs s ASP 40 Ca 0.32 -1.25 0.17 0.00 0.18 0.00 0.00 52.55 51.97 1ujs s ASP 40 Cb -0.11 -1.98 0.93 0.00 1.07 0.00 0.00 42.92 42.83 1ujs s ASP 40 CO 0.25 -0.44 1.45 0.03 1.18 0.00 0.00 175.17 177.64 1ujs h ARG 41 N 8.38 0.00 0.00 8.23 -0.00 -1.98 1.74 114.38 130.75 1ujs h ARG 41 Ca -0.24 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.21 1ujs h ARG 41 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.05 1ujs h ARG 41 CO 0.70 0.00 -1.91 0.25 0.00 0.00 0.00 179.97 179.01 1ujs n THR 42 N -2.31 0.13 -1.65 2.04 -2.24 -1.26 -3.32 114.28 105.67 1ujs n THR 42 Ca -0.01 -0.47 0.06 0.00 -2.27 0.00 0.00 64.05 61.36 1ujs n THR 42 Cb 0.38 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.21 1.12 -0.34 -0.78 5.12 0.27 -4.81 116.66 115.03 1ujs n ARG 43 Ca -0.06 -2.73 0.12 0.00 -1.93 0.00 0.00 57.85 53.25 1ujs n ARG 43 Cb 0.56 -1.23 0.32 0.00 -1.16 0.00 0.00 32.46 30.95 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 0.67 0.79 -1.52 0.55 3.38 0.20 0.17 115.31 119.54 1ujs h LEU 44 Ca -0.04 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ujs h LEU 44 Cb 1.18 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1ujs h LEU 44 CO 0.02 0.33 0.18 1.05 0.09 0.00 0.00 178.44 180.10 1ujs h GLU 45 N 0.80 0.50 0.00 1.13 4.11 -1.84 -0.67 114.58 118.60 1ujs h GLU 45 Ca 0.54 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1ujs h GLU 45 Cb 0.80 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ujs h GLU 45 CO -0.32 0.39 0.00 0.00 0.07 0.00 0.00 179.01 179.14 1ujs h ARG 46 N 0.50 0.00 -0.00 1.06 3.08 -1.04 -0.94 114.38 117.04 1ujs h ARG 46 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1ujs h ARG 46 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1ujs h ARG 46 CO -0.02 0.00 -0.02 0.72 -1.07 0.00 0.00 179.97 179.58 1ujs n HIS 47 N -2.90 0.00 -3.38 3.04 8.25 -0.26 -4.76 115.22 115.22 1ujs n HIS 47 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 1ujs n HIS 47 Cb 0.18 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 31.07 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 -2.31 4.16 0.61 2.41 1.43 -0.36 0.22 118.68 124.83 1ujs s LEU 48 Ca 0.37 0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 53.81 1ujs s LEU 48 Cb 0.21 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1ujs s LEU 48 CO 0.42 -0.08 1.20 -0.24 0.23 0.00 0.00 176.35 177.88 1ujs n SER 49 N 4.49 1.79 0.24 2.29 2.88 -1.26 -4.18 113.62 119.87 1ujs n SER 49 Ca -0.08 0.86 0.09 0.00 -1.33 0.00 0.00 58.87 58.41 1ujs n SER 49 Cb 0.51 -1.51 0.50 0.00 -0.75 0.00 0.00 64.21 62.96 1ujs n SER 49 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1ujs h GLN 50 N 0.72 0.00 0.21 -1.46 4.20 -1.96 0.71 115.11 117.53 1ujs h GLN 50 Ca -0.50 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 57.87 1ujs h GLN 50 Cb 1.34 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.14 1ujs h GLN 50 CO 0.53 0.00 -1.58 0.93 -0.67 0.00 0.00 178.83 178.04 1ujs h GLU 51 N 0.00 0.44 0.00 1.46 4.39 -1.98 -3.35 114.58 115.54 1ujs h GLU 51 Ca 0.00 -0.76 -0.20 0.00 0.34 0.00 0.00 59.36 58.74 1ujs h GLU 51 Cb 0.76 0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 1ujs h GLU 51 CO 0.00 1.35 -1.26 0.39 -1.16 0.00 0.00 179.01 178.33 1ujs n GLU 52 N -3.63 0.54 -0.62 2.33 1.02 0.13 -3.61 120.64 116.80 1ujs n GLU 52 Ca -0.19 0.50 0.47 0.00 -0.02 0.00 0.00 57.16 57.92 1ujs n GLU 52 Cb 1.08 -1.68 0.72 0.00 -0.02 0.00 0.00 31.44 31.54 1ujs n GLU 52 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ujs n PHE 53 N -4.45 0.00 0.06 -0.32 -0.00 0.20 0.23 117.46 113.19 1ujs n PHE 53 Ca -0.29 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 56.94 1ujs n PHE 53 Cb 0.61 -0.43 -0.15 0.00 -0.00 0.00 0.00 39.48 39.51 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 0.67 0.00 -5.13 5.03 -1.68 -2.64 116.97 113.22 1ujs h TYR 54 Ca 0.82 -0.49 0.00 0.00 2.58 0.00 0.00 58.73 61.64 1ujs h TYR 54 Cb 3.35 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.61 1ujs h TYR 54 CO 0.00 1.70 0.00 1.96 -1.32 0.00 0.00 178.16 180.50 1ujs h GLN 55 N 0.10 0.00 0.00 1.82 4.20 0.29 1.85 115.11 123.37 1ujs h GLN 55 Ca -0.36 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.24 1ujs h GLN 55 Cb 2.09 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.85 1ujs h GLN 55 CO 0.16 0.00 -1.28 0.28 -0.67 0.00 0.00 178.83 177.32 1ujs n VAL 56 N -2.46 1.50 0.08 -0.54 0.31 -0.30 -4.65 118.33 112.26 1ujs n VAL 56 Ca -0.00 0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.22 1ujs n VAL 56 Cb 0.13 -2.24 -0.14 0.00 -0.91 0.00 0.00 33.84 30.68 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 0.35 0.00 3.52 -1.00 -1.46 -3.48 116.94 113.87 1ujs h PHE 57 Ca -0.16 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 60.36 1ujs h PHE 57 Cb 1.08 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1ujs h PHE 57 CO -0.31 1.22 0.00 0.41 -1.61 0.00 0.00 178.31 178.02 1ujs n GLY 58 N 1.52 1.14 3.83 -1.45 0.00 0.63 -5.04 105.19 105.81 1ujs n GLY 58 Ca -0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.47 1.80 -0.03 1.61 0.23 -1.19 -4.99 119.30 116.26 1ujs s MET 59 Ca 0.00 -1.11 -0.11 0.00 -1.03 0.00 0.00 55.69 53.44 1ujs s MET 59 Cb 0.00 0.54 -0.05 0.00 -1.53 0.00 0.00 34.83 33.79 1ujs s MET 59 CO 0.00 -0.84 0.31 0.95 -2.03 0.00 0.00 175.02 173.41 1ujs s THR 60 N -2.76 5.22 0.36 3.16 -4.23 -1.26 -3.28 115.64 112.84 1ujs s THR 60 Ca 0.15 0.53 0.21 0.00 -1.18 0.00 0.00 61.69 61.41 1ujs s THR 60 Cb -0.04 -3.59 0.35 0.00 1.34 0.00 0.00 72.50 70.55 1ujs s THR 60 CO 0.08 0.54 1.49 0.00 -0.54 0.00 0.00 174.62 176.19 1ujs n ILE 61 N 1.71 -0.38 -0.28 2.99 0.13 -1.26 0.17 119.36 122.45 1ujs n ILE 61 Ca -0.15 1.89 -0.00 0.00 -1.10 0.00 0.00 62.75 63.39 1ujs n ILE 61 Cb 0.53 -3.08 0.12 0.00 -0.84 0.00 0.00 39.64 36.37 1ujs n ILE 61 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 1ujs h SER 62 N 0.00 0.73 0.57 9.51 0.87 -2.00 -0.45 113.55 122.78 1ujs h SER 62 Ca 0.81 0.02 -0.26 0.00 -1.23 0.00 0.00 61.79 61.13 1ujs h SER 62 Cb 2.19 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 64.02 1ujs h SER 62 CO -0.69 0.47 -1.15 -0.33 -0.53 0.00 0.00 176.83 174.59 1ujs h GLU 63 N 0.86 0.29 -0.32 2.24 5.08 0.14 -3.28 114.58 119.60 1ujs h GLU 63 Ca 0.34 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1ujs h GLU 63 Cb 0.16 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1ujs h GLU 63 CO -0.17 1.18 0.20 0.35 -1.00 0.00 0.00 179.01 179.57 1ujs h PHE 64 N 0.11 0.39 0.00 4.33 3.57 -0.43 -1.11 116.94 123.80 1ujs h PHE 64 Ca -0.12 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1ujs h PHE 64 Cb 1.86 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.47 1ujs h PHE 64 CO 0.06 0.24 0.00 0.22 -2.23 0.00 0.00 178.31 176.60 1ujs h ASP 65 N 0.42 0.00 -0.14 0.41 1.82 -1.19 0.51 116.42 118.25 1ujs h ASP 65 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1ujs h ASP 65 Cb -0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.97 1ujs h ASP 65 CO -0.03 0.00 0.00 0.54 -1.61 0.00 0.00 179.24 178.14 1ujs n ARG 66 N -2.83 1.73 -2.21 0.28 1.74 -0.43 -4.91 116.66 110.03 1ujs n ARG 66 Ca -0.02 -1.09 -0.27 0.00 -0.77 0.00 0.00 57.85 55.71 1ujs n ARG 66 Cb 0.12 -1.41 0.14 0.00 -1.02 0.00 0.00 32.46 30.29 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 -1.65 2.82 0.20 0.55 1.43 0.17 -5.05 118.68 117.14 1ujs s LEU 67 Ca 0.33 0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 53.21 1ujs s LEU 67 Cb 0.18 -2.28 -0.08 0.00 0.03 0.00 0.00 46.19 44.03 1ujs s LEU 67 CO 0.28 -2.27 0.86 0.00 0.23 0.00 0.00 176.35 175.45 1ujs s ALA 68 N -3.53 3.39 0.25 4.21 0.00 -1.26 -4.82 121.76 120.00 1ujs s ALA 68 Ca 0.69 0.49 -0.09 0.00 0.00 0.00 0.00 51.96 53.05 1ujs s ALA 68 Cb -0.05 -3.09 0.38 0.00 0.00 0.00 0.00 23.12 20.36 1ujs s ALA 68 CO 0.49 0.24 1.42 -0.11 0.00 0.00 0.00 175.76 177.80 1ujs n LEU 69 N 1.59 -0.38 -0.35 0.00 -0.00 -1.26 0.19 117.00 116.78 1ujs n LEU 69 Ca -0.04 1.57 0.00 0.00 -0.00 0.00 0.00 56.01 57.55 1ujs n LEU 69 Cb 0.48 -0.45 0.16 0.00 -0.00 0.00 0.00 43.42 43.60 1ujs n LEU 69 CO 0.48 -1.49 1.28 4.11 -0.00 0.00 0.00 177.39 181.77 1ujs h TRP 70 N 0.00 1.19 -0.20 1.96 5.08 -1.97 0.12 115.95 122.14 1ujs h TRP 70 Ca 0.41 0.03 -0.06 0.00 1.08 0.00 0.00 58.89 60.35 1ujs h TRP 70 Cb 0.64 -0.40 -0.00 0.00 -3.00 0.00 0.00 29.16 26.40 1ujs h TRP 70 CO -0.72 0.70 -0.12 -0.22 -1.28 0.00 0.00 178.44 176.80 1ujs h LYS 71 N 1.24 0.43 0.00 0.12 1.63 0.16 0.95 116.57 121.10 1ujs h LYS 71 Ca 0.38 -0.20 -0.04 0.00 -0.85 0.00 0.00 60.65 59.95 1ujs h LYS 71 Cb -0.01 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1ujs h LYS 71 CO -0.11 0.74 -0.17 0.00 -3.45 0.00 0.00 179.45 176.45 1ujs h ARG 72 N 0.11 0.00 0.00 1.90 3.08 -0.08 0.18 114.38 119.57 1ujs h ARG 72 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ujs h ARG 72 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1ujs h ARG 72 CO 0.03 0.17 -1.52 0.09 -1.07 0.00 0.00 179.97 177.67 1ujs n ASN 73 N -4.10 0.39 0.03 7.04 3.02 -0.01 -3.94 115.26 117.69 1ujs n ASN 73 Ca -0.02 0.04 -0.22 0.00 -0.03 0.00 0.00 54.58 54.35 1ujs n ASN 73 Cb 0.25 1.31 -0.14 0.00 -0.61 0.00 0.00 39.78 40.59 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 0.29 0.55 3.52 4.57 0.15 -3.27 114.58 120.39 1ujs h GLU 74 Ca 0.00 -0.50 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 1ujs h GLU 74 Cb 0.95 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1ujs h GLU 74 CO 0.00 1.24 -0.28 -0.07 -1.18 0.00 0.00 179.01 178.72 1ujs h LEU 75 N -0.24 -0.67 -1.19 1.64 3.38 -0.86 -2.53 115.31 114.84 1ujs h LEU 75 Ca -0.27 0.03 0.23 0.00 0.09 0.00 0.00 57.88 57.95 1ujs h LEU 75 Cb 1.81 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 42.64 1ujs h LEU 75 CO 0.11 -0.47 0.63 0.11 0.09 0.00 0.00 178.44 178.91 1ujs h LYS 76 N -0.76 0.53 -0.36 1.13 1.57 -1.74 0.45 116.57 117.39 1ujs h LYS 76 Ca -0.07 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1ujs h LYS 76 Cb 0.59 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1ujs h LYS 76 CO 0.11 0.35 0.13 0.87 -0.57 0.00 0.00 179.45 180.34 1ujs h LYS 77 N 0.55 0.50 0.00 3.15 1.57 -1.51 0.28 116.57 121.11 1ujs h LYS 77 Ca 0.59 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1ujs h LYS 77 Cb 1.23 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1ujs h LYS 77 CO -0.35 0.43 -0.40 1.96 -0.57 0.00 0.00 179.45 180.52 1ujs h GLN 78 N 0.50 0.00 -0.70 3.15 4.20 0.11 -3.23 115.11 119.15 1ujs h GLN 78 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1ujs h GLN 78 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1ujs h GLN 78 CO -0.01 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.15 1ujs n ALA 79 N -2.03 2.40 -2.71 3.87 0.00 -0.20 -4.94 120.51 116.90 1ujs n ALA 79 Ca 0.03 -1.31 -0.19 0.00 0.00 0.00 0.00 53.44 51.97 1ujs n ALA 79 Cb 0.51 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 1.51 -2.93 -0.11 0.00 1.74 -0.23 -4.76 116.66 111.88 1ujs n ARG 80 Ca 0.23 0.79 0.06 0.00 -0.77 0.00 0.00 57.85 58.16 1ujs n ARG 80 Cb 0.62 -5.50 0.11 0.00 -1.02 0.00 0.00 32.46 26.67 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 -3.33 2.52 -4.43 0.55 4.77 0.84 0.26 117.00 118.18 1ujs n LEU 81 Ca -0.15 -2.53 -0.32 0.00 -0.03 0.00 0.00 56.01 52.98 1ujs n LEU 81 Cb 0.63 -0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 41.32 1ujs n LEU 81 CO 0.34 0.63 -0.49 0.12 -1.33 0.00 0.00 177.39 176.66 1ujs s PHE 82 N -1.93 2.58 0.00 -1.77 2.19 -1.10 -4.45 117.98 113.51 1ujs s PHE 82 Ca 0.20 -0.25 0.00 0.00 0.33 0.00 0.00 56.93 57.22 1ujs s PHE 82 Cb 0.16 -1.58 0.00 0.00 -1.31 0.00 0.00 43.02 40.29 1ujs s PHE 82 CO 0.04 0.13 0.00 0.45 1.83 0.00 0.00 175.22 177.67 1ujs n SER 83 N 2.29 2.70 0.00 6.13 2.88 -1.21 -4.87 113.62 121.54 1ujs n SER 83 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1ujs n SER 83 Cb 0.52 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 2.67 3.08 3.77 0.46 0.00 -1.26 -5.10 105.19 108.80 1ujs n GLY 84 Ca 0.00 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1ujs n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujs s PRO 85 N -2.85 4.42 0.24 1.61 0.04 -1.26 -4.88 135.00 132.32 1ujs s PRO 85 Ca 0.00 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 1ujs s PRO 85 Cb 0.00 -3.07 -0.15 0.00 0.04 0.00 0.00 34.50 31.31 1ujs s PRO 85 CO 0.00 -0.07 0.87 0.43 0.04 0.00 0.00 177.00 178.28 1ujs n SER 86 N 0.86 0.46 -4.76 6.66 7.64 -1.26 -4.88 113.62 118.33 1ujs n SER 86 Ca 0.00 1.16 -0.38 0.00 1.01 0.00 0.00 58.87 60.66 1ujs n SER 86 Cb 0.43 -1.16 0.01 0.00 -1.01 0.00 0.00 64.21 62.48 1ujs n SER 86 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ujs s SER 87 N -0.62 5.93 0.00 6.43 1.04 -1.26 -5.28 113.70 119.94 1ujs s SER 87 Ca 0.63 2.53 0.00 0.00 0.48 0.00 0.00 55.95 59.59 1ujs s SER 87 Cb -0.81 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 62.69 1ujs s SER 87 CO 0.58 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 174.31