#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujs h SER 2 N 0.00 0.21 -5.14 1.61 0.02 -2.09 -3.47 113.55 104.69 1ujs h SER 2 Ca 0.00 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.40 1ujs h SER 2 Cb 0.00 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 62.39 1ujs h SER 2 CO 0.00 0.69 -0.01 -0.44 -1.14 0.00 0.00 176.83 175.93 1ujs s SER 3 N -5.98 -0.18 -0.38 3.07 0.01 -1.26 -5.14 113.70 103.83 1ujs s SER 3 Ca -0.15 -0.67 0.07 0.00 1.31 0.00 0.00 55.95 56.51 1ujs s SER 3 Cb 0.03 0.59 0.18 0.00 0.21 0.00 0.00 66.02 67.04 1ujs s SER 3 CO 0.72 -1.11 0.60 -0.83 0.41 0.00 0.00 173.24 173.03 1ujs s GLY 4 N -2.93 -1.18 0.12 3.44 0.00 -1.26 -5.03 107.32 100.48 1ujs s GLY 4 Ca 0.14 0.31 -0.20 0.00 0.00 0.00 0.00 44.72 44.97 1ujs s GLY 4 CO 0.03 3.60 1.76 0.23 0.00 0.00 0.00 173.10 178.72 1ujs h SER 5 N 7.22 0.24 -3.94 1.64 0.87 -2.05 -3.43 113.55 114.10 1ujs h SER 5 Ca 0.04 -0.03 -0.48 0.00 -1.23 0.00 0.00 61.79 60.09 1ujs h SER 5 Cb 1.17 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1ujs h SER 5 CO 0.12 0.19 0.24 -0.55 -0.53 0.00 0.00 176.83 176.30 1ujs s SER 6 N -5.40 6.63 0.00 6.23 0.15 -1.26 -5.01 113.70 115.03 1ujs s SER 6 Ca -0.13 1.38 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1ujs s SER 6 Cb 0.08 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1ujs s SER 6 CO 0.69 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1ujs n GLY 7 N -1.25 0.06 4.11 9.45 0.00 -1.26 -5.00 105.19 111.30 1ujs n GLY 7 Ca 0.05 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1ujs n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ujs n ASN 8 N -0.16 -1.11 -3.62 1.61 4.05 -1.26 -4.86 115.26 109.91 1ujs n ASN 8 Ca 0.00 -1.08 -0.13 0.00 0.45 0.00 0.00 54.58 53.82 1ujs n ASN 8 Cb 0.00 -1.37 -0.07 0.00 1.23 0.00 0.00 39.78 39.57 1ujs n ASN 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ujs s ALA 9 N -3.17 -1.84 0.08 5.20 0.00 -1.26 -4.73 121.76 116.03 1ujs s ALA 9 Ca 0.58 1.89 -0.23 0.00 0.00 0.00 0.00 51.96 54.20 1ujs s ALA 9 Cb -0.34 -1.11 -0.13 0.00 0.00 0.00 0.00 23.12 21.54 1ujs s ALA 9 CO 0.88 -0.31 0.52 1.33 0.00 0.00 0.00 175.76 178.18 1ujs n VAL 10 N 2.26 0.76 -0.59 0.00 0.24 -1.26 -4.72 118.33 115.02 1ujs n VAL 10 Ca -0.14 -0.19 -0.04 0.00 -2.04 0.00 0.00 64.34 61.94 1ujs n VAL 10 Cb 0.56 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.93 1ujs n VAL 10 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1ujs n ASN 11 N 1.21 5.59 -4.65 -1.34 0.23 -1.26 -4.82 115.26 110.23 1ujs n ASN 11 Ca 0.13 -2.55 -0.41 0.00 -0.53 0.00 0.00 54.58 51.22 1ujs n ASN 11 Cb 0.12 -1.12 -0.05 0.00 -2.08 0.00 0.00 39.78 36.66 1ujs n ASN 11 CO 0.00 0.00 0.00 0.26 -0.93 0.00 0.00 177.26 176.59 1ujs s TRP 12 N -0.38 3.33 0.09 -2.53 0.23 -1.26 -4.95 118.94 113.48 1ujs s TRP 12 Ca 0.07 1.10 -0.13 0.00 -2.03 0.00 0.00 56.10 55.11 1ujs s TRP 12 Cb 0.05 -3.00 -0.19 0.00 0.03 0.00 0.00 33.47 30.36 1ujs s TRP 12 CO -0.00 -0.35 1.26 0.78 0.96 0.00 0.00 176.95 179.60 1ujs h GLY 13 N 8.95 0.85 0.04 0.98 0.00 -2.02 -3.35 103.07 108.52 1ujs h GLY 13 Ca -0.25 -1.31 0.01 0.00 0.00 0.00 0.00 47.33 45.78 1ujs h GLY 13 CO 0.85 1.16 -0.27 -0.33 0.00 0.00 0.00 176.54 177.95 1ujs h MET 14 N 0.49 -0.35 -5.02 4.80 2.86 -2.01 -3.46 114.93 112.25 1ujs h MET 14 Ca -0.08 0.02 -0.56 0.00 -2.06 0.00 0.00 59.70 57.02 1ujs h MET 14 Cb 1.53 0.08 -0.13 0.00 0.06 0.00 0.00 31.60 33.13 1ujs h MET 14 CO 0.18 -0.23 -0.50 1.03 1.06 0.00 0.00 176.91 178.44 1ujs s ARG 15 N -4.38 1.94 -0.51 1.72 0.52 -1.26 -5.12 118.95 111.87 1ujs s ARG 15 Ca -0.08 -2.18 0.03 0.00 -0.52 0.00 0.00 55.73 52.97 1ujs s ARG 15 Cb 0.03 -0.50 0.13 0.00 0.52 0.00 0.00 34.95 35.14 1ujs s ARG 15 CO 0.30 -0.52 0.25 -2.00 0.02 0.00 0.00 175.30 173.36 1ujs s GLU 16 N -3.66 1.99 -0.61 3.54 2.12 -1.26 -4.46 118.70 116.36 1ujs s GLU 16 Ca 0.25 -2.48 -0.23 0.00 0.36 0.00 0.00 54.97 52.86 1ujs s GLU 16 Cb 0.02 -3.37 0.05 0.00 0.26 0.00 0.00 34.13 31.09 1ujs s GLU 16 CO 0.16 -1.09 0.96 0.71 -0.54 0.00 0.00 175.26 175.46 1ujs s TYR 17 N -0.04 2.72 0.37 5.30 2.02 -1.26 -5.00 117.35 121.45 1ujs s TYR 17 Ca 0.16 -0.27 -0.28 0.00 -0.37 0.00 0.00 57.07 56.31 1ujs s TYR 17 Cb -0.24 -4.19 -0.11 0.00 -0.40 0.00 0.00 41.96 37.02 1ujs s TYR 17 CO -0.02 -1.52 1.49 1.17 -1.57 0.00 0.00 175.55 175.11 1ujs n LYS 18 N 7.65 2.67 -1.88 -0.62 4.81 -1.26 -4.19 118.16 125.34 1ujs n LYS 18 Ca -0.01 0.94 -0.43 0.00 -0.87 0.00 0.00 58.31 57.94 1ujs n LYS 18 Cb 0.47 -2.67 -0.03 0.00 0.02 0.00 0.00 35.03 32.82 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 -1.02 3.34 0.09 3.15 -1.09 -1.26 -4.68 121.20 119.73 1ujs s ILE 19 Ca 0.54 0.35 0.09 0.00 -2.23 0.00 0.00 60.65 59.41 1ujs s ILE 19 Cb -0.48 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 1ujs s ILE 19 CO 0.62 -0.27 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.51 1ujs s TYR 20 N 7.15 2.08 0.34 3.97 2.02 0.12 -5.01 117.35 128.02 1ujs s TYR 20 Ca 0.86 -0.40 -0.28 0.00 -0.37 0.00 0.00 57.07 56.88 1ujs s TYR 20 Cb -0.26 -1.18 -0.10 0.00 -0.40 0.00 0.00 41.96 40.02 1ujs s TYR 20 CO 0.34 0.21 1.22 -1.25 -1.57 0.00 0.00 175.55 174.50 1ujs s PRO 21 N -1.67 4.34 0.24 -1.71 0.04 -1.26 -4.17 135.00 130.82 1ujs s PRO 21 Ca 0.10 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 1ujs s PRO 21 Cb -0.10 -2.99 0.46 0.00 0.04 0.00 0.00 34.50 31.91 1ujs s PRO 21 CO 0.04 -0.12 1.68 -0.92 0.04 0.00 0.00 177.00 177.72 1ujs h TYR 22 N 3.29 0.24 -0.27 0.56 3.20 -1.93 0.23 116.97 122.28 1ujs h TYR 22 Ca -0.48 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.46 1ujs h TYR 22 Cb 1.23 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 1ujs h TYR 22 CO 0.56 -0.10 -0.23 1.05 -1.64 0.00 0.00 178.16 177.80 1ujs h GLU 23 N 0.25 -0.08 0.00 1.82 4.11 -1.99 0.25 114.58 118.94 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 0.71 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1ujs h GLU 23 CO -0.52 -0.05 -0.08 1.37 0.07 0.00 0.00 179.01 179.79 1ujs h LEU 24 N -0.08 0.00 -0.36 3.06 8.10 -1.78 -2.23 115.31 122.01 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 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.42 1ujs h LEU 24 CO -0.30 0.08 0.00 0.18 -4.11 0.00 0.00 178.44 174.29 1ujs n LEU 25 N -3.24 0.52 -4.72 0.17 4.77 0.76 -2.82 117.00 112.44 1ujs n LEU 25 Ca -0.00 -0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.43 1ujs n LEU 25 Cb 0.32 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.49 1ujs n LEU 25 CO 0.29 0.13 0.67 -0.76 -1.33 0.00 0.00 177.39 176.39 1ujs s LEU 26 N -0.98 1.88 -0.08 2.23 1.43 0.09 -4.60 118.68 118.65 1ujs s LEU 26 Ca 0.06 1.16 0.22 0.00 -1.03 0.00 0.00 54.13 54.54 1ujs s LEU 26 Cb 0.03 -3.45 0.44 0.00 0.03 0.00 0.00 46.19 43.24 1ujs s LEU 26 CO 0.04 -2.81 1.18 0.55 0.23 0.00 0.00 176.35 175.54 1ujs n VAL 27 N -3.96 0.67 -1.58 -1.59 3.14 0.69 -4.73 118.33 110.97 1ujs n VAL 27 Ca 0.06 -1.75 -0.61 0.00 -2.96 0.00 0.00 64.34 59.08 1ujs n VAL 27 Cb 0.58 0.69 -0.09 0.00 -1.06 0.00 0.00 33.84 33.95 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 0.01 0.11 0.15 1.55 -2.24 -1.26 -4.74 114.28 107.87 1ujs n THR 28 Ca 0.10 -0.05 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 1ujs n THR 28 Cb 1.01 -0.85 0.48 0.00 -2.10 0.00 0.00 70.33 68.87 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 5.17 0.97 0.09 4.28 -1.04 -1.26 -3.74 114.28 118.75 1ujs n THR 29 Ca 0.37 0.72 0.00 0.00 -2.04 0.00 0.00 64.05 63.10 1ujs n THR 29 Cb 0.04 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 1ujs n THR 29 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ujs n ARG 30 N -2.13 0.00 -1.00 -2.82 1.74 -1.26 -5.09 116.66 106.10 1ujs n ARG 30 Ca -0.01 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.74 1ujs n ARG 30 Cb 0.12 -0.30 -0.00 0.00 -1.02 0.00 0.00 32.46 31.26 1ujs n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ujs n GLY 31 N 2.67 -2.09 3.09 -0.13 0.00 -1.25 -4.64 105.19 102.85 1ujs n GLY 31 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ujs n GLY 31 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ujs n ARG 32 N 1.02 1.74 -1.29 1.61 1.85 -1.26 -4.70 116.66 115.63 1ujs n ARG 32 Ca 0.09 -2.03 -0.37 0.00 -1.00 0.00 0.00 57.85 54.54 1ujs n ARG 32 Cb 0.30 -3.04 0.05 0.00 -1.05 0.00 0.00 32.46 28.72 1ujs n ARG 32 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1ujs n ASN 33 N 7.81 -1.92 -0.97 2.89 0.23 -1.26 -4.92 115.26 117.12 1ujs n ASN 33 Ca 0.50 0.61 -0.01 0.00 -0.53 0.00 0.00 54.58 55.14 1ujs n ASN 33 Cb 0.41 -1.11 0.16 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 0.04 2.06 -1.69 -3.83 0.00 -1.26 -5.06 116.66 106.91 1ujs n ARG 34 Ca 0.09 -3.50 -0.44 0.00 -0.00 0.00 0.00 57.85 54.00 1ujs n ARG 34 Cb 0.49 -1.76 -0.04 0.00 0.00 0.00 0.00 32.46 31.16 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 -1.00 3.62 0.00 6.15 4.77 -1.13 -4.84 117.00 124.58 1ujs n LEU 35 Ca 0.25 1.06 -0.10 0.00 -0.03 0.00 0.00 56.01 57.19 1ujs n LEU 35 Cb 0.76 -1.51 0.08 0.00 -2.33 0.00 0.00 43.42 40.43 1ujs n LEU 35 CO 0.07 -0.02 0.19 -0.81 -1.33 0.00 0.00 177.39 175.49 1ujs n PRO 36 N 3.95 -1.70 -0.39 3.23 -0.04 -1.26 -4.97 135.00 133.82 1ujs n PRO 36 Ca 0.17 -0.56 0.10 0.00 -0.04 0.00 0.00 63.50 63.17 1ujs n PRO 36 Cb 0.32 -0.52 0.29 0.00 -0.04 0.00 0.00 33.50 33.55 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 -2.57 3.01 -0.15 0.54 2.85 -1.26 -4.21 118.16 116.36 1ujs n LYS 37 Ca 0.05 -2.59 0.07 0.00 -1.05 0.00 0.00 58.31 54.79 1ujs n LYS 37 Cb 0.19 -1.59 0.10 0.00 -0.65 0.00 0.00 35.03 33.08 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 1.19 1.76 -4.89 -5.58 2.03 -1.26 -5.05 116.55 104.75 1ujs n ASP 38 Ca 0.22 -2.72 -0.23 0.00 0.52 0.00 0.00 54.79 52.58 1ujs n ASP 38 Cb 0.65 -0.34 -0.04 0.00 -0.72 0.00 0.00 41.12 40.68 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 -2.04 4.87 -0.39 5.18 -7.23 -1.26 -4.36 120.40 115.16 1ujs s VAL 39 Ca 0.22 -1.08 -0.06 0.00 -1.81 0.00 0.00 61.98 59.25 1ujs s VAL 39 Cb 0.19 -3.58 0.08 0.00 0.56 0.00 0.00 36.38 33.63 1ujs s VAL 39 CO 0.02 -0.25 0.19 -1.81 -0.31 0.00 0.00 175.10 172.95 1ujs s ASP 40 N -3.62 5.38 0.51 4.85 1.11 -1.26 -4.94 116.67 118.69 1ujs s ASP 40 Ca 0.33 -1.62 0.17 0.00 0.18 0.00 0.00 52.55 51.62 1ujs s ASP 40 Cb -0.09 -1.88 0.94 0.00 1.07 0.00 0.00 42.92 42.95 1ujs s ASP 40 CO 0.27 -0.48 1.47 0.03 1.18 0.00 0.00 175.17 177.63 1ujs h ARG 41 N 8.22 0.00 0.00 8.23 -0.00 -1.96 1.55 114.38 130.41 1ujs h ARG 41 Ca -0.19 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.18 1ujs h ARG 41 Cb 1.07 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.02 1ujs h ARG 41 CO 0.69 0.00 -2.02 0.25 0.00 0.00 0.00 179.97 178.89 1ujs n THR 42 N -2.43 0.46 -2.09 2.04 -2.24 -1.26 -3.34 114.28 105.42 1ujs n THR 42 Ca -0.01 -0.61 -0.01 0.00 -2.27 0.00 0.00 64.05 61.15 1ujs n THR 42 Cb 0.46 -0.18 0.10 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.44 1.54 -0.36 -0.78 5.12 0.35 -4.84 116.66 115.24 1ujs n ARG 43 Ca -0.12 -3.13 0.06 0.00 -1.93 0.00 0.00 57.85 52.74 1ujs n ARG 43 Cb 0.74 -1.29 0.23 0.00 -1.16 0.00 0.00 32.46 30.98 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 1.43 0.96 -1.53 0.55 3.38 0.15 -0.19 115.31 120.05 1ujs h LEU 44 Ca -0.01 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ujs h LEU 44 Cb 1.39 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1ujs h LEU 44 CO 0.19 0.54 0.24 1.05 0.09 0.00 0.00 178.44 180.55 1ujs h GLU 45 N 1.04 0.55 0.00 1.13 4.11 -1.85 -0.55 114.58 119.02 1ujs h GLU 45 Ca 0.48 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.87 1ujs h GLU 45 Cb 0.41 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ujs h GLU 45 CO -0.24 0.40 0.00 0.00 0.07 0.00 0.00 179.01 179.24 1ujs h ARG 46 N 0.56 0.00 -0.00 1.06 3.08 -1.41 -0.37 114.38 117.30 1ujs h ARG 46 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1ujs h ARG 46 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1ujs h ARG 46 CO -0.03 0.00 -0.02 0.72 -1.07 0.00 0.00 179.97 179.57 1ujs n HIS 47 N -2.93 0.00 -3.28 3.04 8.25 -0.21 -4.77 115.22 115.32 1ujs n HIS 47 Ca -0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 1ujs n HIS 47 Cb 0.15 -0.18 -0.07 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.37 4.19 0.38 2.41 1.43 -0.15 0.14 118.68 124.70 1ujs s LEU 48 Ca 0.35 0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 53.88 1ujs s LEU 48 Cb 0.21 -2.69 -0.10 0.00 0.03 0.00 0.00 46.19 43.63 1ujs s LEU 48 CO 0.43 -0.12 1.41 -0.94 0.23 0.00 0.00 176.35 177.37 1ujs s SER 49 N 0.98 6.39 0.58 2.29 1.04 -1.26 -4.22 113.70 119.50 1ujs s SER 49 Ca 0.24 2.89 0.27 0.00 0.48 0.00 0.00 55.95 59.83 1ujs s SER 49 Cb -0.15 -2.66 0.91 0.00 0.10 0.00 0.00 66.02 64.22 1ujs s SER 49 CO 0.10 -0.82 1.26 0.00 0.98 0.00 0.00 173.24 174.76 1ujs n GLN 50 N 0.42 0.01 0.02 4.02 6.02 -1.26 0.11 117.38 126.72 1ujs n GLN 50 Ca 0.02 0.99 -0.12 0.00 -0.01 0.00 0.00 57.00 57.87 1ujs n GLN 50 Cb 0.41 -2.45 -0.09 0.00 1.02 0.00 0.00 30.24 29.12 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 -0.10 0.00 -1.09 5.08 -1.98 -3.26 114.58 113.23 1ujs h GLU 51 Ca 0.49 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.83 1ujs h GLU 51 Cb 2.87 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 32.14 1ujs h GLU 51 CO -0.01 0.41 -0.23 0.93 -1.00 0.00 0.00 179.01 179.11 1ujs h GLU 52 N -0.69 0.00 -1.45 2.33 5.08 0.41 -3.16 114.58 117.10 1ujs h GLU 52 Ca -0.01 0.00 0.44 0.00 -1.00 0.00 0.00 59.36 58.79 1ujs h GLU 52 Cb 0.56 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 1ujs h GLU 52 CO 0.02 0.64 1.02 0.34 -1.00 0.00 0.00 179.01 180.03 1ujs n PHE 53 N -4.63 0.17 0.05 4.33 -0.00 0.11 0.25 117.46 117.73 1ujs n PHE 53 Ca -0.10 0.17 -0.23 0.00 -0.00 0.00 0.00 57.45 57.29 1ujs n PHE 53 Cb 0.36 -0.57 -0.15 0.00 -0.00 0.00 0.00 39.48 39.12 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 0.64 0.00 -5.13 5.03 -1.59 -2.56 116.97 113.36 1ujs h TYR 54 Ca 0.74 -0.47 0.00 0.00 2.58 0.00 0.00 58.73 61.58 1ujs h TYR 54 Cb 2.82 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.08 1ujs h TYR 54 CO -0.00 1.65 0.00 1.96 -1.32 0.00 0.00 178.16 180.45 1ujs h GLN 55 N -0.00 0.00 0.00 1.82 4.20 0.34 1.93 115.11 123.39 1ujs h GLN 55 Ca -0.34 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.29 1ujs h GLN 55 Cb 2.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.78 1ujs h GLN 55 CO 0.14 0.00 -1.12 0.28 -0.67 0.00 0.00 178.83 177.46 1ujs n VAL 56 N -2.60 1.49 0.09 -0.54 0.31 -0.01 -4.64 118.33 112.41 1ujs n VAL 56 Ca -0.01 0.07 -0.15 0.00 -0.01 0.00 0.00 64.34 64.25 1ujs n VAL 56 Cb 0.13 -2.28 -0.14 0.00 -0.91 0.00 0.00 33.84 30.65 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 0.40 0.00 3.52 -1.00 -1.44 -3.48 116.94 113.94 1ujs h PHE 57 Ca -0.12 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 60.36 1ujs h PHE 57 Cb 0.99 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.53 1ujs h PHE 57 CO -0.30 1.25 0.00 0.41 -1.61 0.00 0.00 178.31 178.06 1ujs n GLY 58 N 1.53 1.36 3.82 -1.45 0.00 0.65 -5.04 105.19 106.07 1ujs n GLY 58 Ca -0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.64 1.42 0.03 1.61 0.23 -1.18 -4.99 119.30 115.77 1ujs s MET 59 Ca 0.00 -0.87 -0.12 0.00 -1.03 0.00 0.00 55.69 53.67 1ujs s MET 59 Cb 0.00 0.43 -0.06 0.00 -1.53 0.00 0.00 34.83 33.67 1ujs s MET 59 CO 0.00 -0.66 0.39 0.95 -2.03 0.00 0.00 175.02 173.67 1ujs s THR 60 N -2.67 5.09 0.49 3.16 -4.23 -1.26 -3.28 115.64 112.93 1ujs s THR 60 Ca 0.17 0.63 0.38 0.00 -1.18 0.00 0.00 61.69 61.70 1ujs s THR 60 Cb -0.03 -3.66 0.59 0.00 1.34 0.00 0.00 72.50 70.74 1ujs s THR 60 CO 0.05 0.46 1.60 -0.29 -0.54 0.00 0.00 174.62 175.90 1ujs h ILE 61 N 3.36 0.06 -0.77 2.99 6.09 -1.92 1.28 117.51 128.60 1ujs h ILE 61 Ca -0.51 -0.01 -0.03 0.00 -1.37 0.00 0.00 64.86 62.95 1ujs h ILE 61 Cb 1.21 0.03 -0.04 0.00 0.47 0.00 0.00 36.82 38.50 1ujs h ILE 61 CO 0.63 0.01 0.38 -1.28 -3.07 0.00 0.00 178.15 174.82 1ujs h SER 62 N 0.03 1.00 0.73 2.19 0.87 -2.00 -1.44 113.55 114.93 1ujs h SER 62 Ca 0.87 -0.13 -0.26 0.00 -1.23 0.00 0.00 61.79 61.04 1ujs h SER 62 Cb 3.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 64.76 1ujs h SER 62 CO -0.27 0.84 -1.18 -0.33 -0.53 0.00 0.00 176.83 175.36 1ujs h GLU 63 N 1.08 0.19 -0.46 2.24 4.39 0.12 -3.29 114.58 118.86 1ujs h GLU 63 Ca 0.27 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1ujs h GLU 63 Cb 0.10 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1ujs h GLU 63 CO -0.04 1.16 0.26 0.35 -1.16 0.00 0.00 179.01 179.58 1ujs h PHE 64 N 0.05 0.62 0.00 4.33 3.57 -0.83 -1.37 116.94 123.31 1ujs h PHE 64 Ca -0.10 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1ujs h PHE 64 Cb 1.92 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.46 1ujs h PHE 64 CO 0.05 0.46 0.00 0.22 -2.23 0.00 0.00 178.31 176.80 1ujs h ASP 65 N 0.60 0.00 -0.14 0.41 1.82 -1.36 -0.45 116.42 117.30 1ujs h ASP 65 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 1ujs h ASP 65 Cb 0.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.05 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 -2.53 1.81 -2.28 0.28 1.74 -0.53 -4.91 116.66 110.24 1ujs n ARG 66 Ca -0.00 -1.20 -0.26 0.00 -0.77 0.00 0.00 57.85 55.61 1ujs n ARG 66 Cb 0.15 -1.43 0.13 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 -1.69 2.86 0.21 0.55 1.43 -0.18 -5.06 118.68 116.80 1ujs s LEU 67 Ca 0.34 0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 53.21 1ujs s LEU 67 Cb 0.19 -2.31 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 1ujs s LEU 67 CO 0.29 -2.12 0.81 0.00 0.23 0.00 0.00 176.35 175.55 1ujs s ALA 68 N -3.43 3.39 0.22 4.21 0.00 -1.26 -4.82 121.76 120.08 1ujs s ALA 68 Ca 0.68 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.86 1ujs s ALA 68 Cb -0.06 -2.98 0.25 0.00 0.00 0.00 0.00 23.12 20.33 1ujs s ALA 68 CO 0.47 0.28 1.41 -0.11 0.00 0.00 0.00 175.76 177.81 1ujs n LEU 69 N 1.22 -0.55 -0.33 0.00 7.94 -1.26 0.16 117.00 124.18 1ujs n LEU 69 Ca -0.03 1.58 0.05 0.00 -1.11 0.00 0.00 56.01 56.50 1ujs n LEU 69 Cb 0.49 -0.38 0.20 0.00 0.53 0.00 0.00 43.42 44.26 1ujs n LEU 69 CO 0.45 -1.44 1.20 4.11 -1.11 0.00 0.00 177.39 180.61 1ujs h TRP 70 N 0.00 1.03 -0.09 1.96 5.08 -1.96 0.31 115.95 122.28 1ujs h TRP 70 Ca 0.34 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.31 1ujs h TRP 70 Cb 0.56 -0.32 -0.00 0.00 -3.00 0.00 0.00 29.16 26.40 1ujs h TRP 70 CO -0.78 0.43 -0.04 -0.22 -1.28 0.00 0.00 178.44 176.54 1ujs h LYS 71 N 0.93 0.19 0.00 0.12 1.63 0.11 0.99 116.57 120.55 1ujs h LYS 71 Ca 0.45 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 60.13 1ujs h LYS 71 Cb 0.40 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1ujs h LYS 71 CO -0.25 0.55 -0.18 0.00 -3.45 0.00 0.00 179.45 176.12 1ujs h ARG 72 N -0.17 0.00 0.00 1.90 3.08 0.10 0.21 114.38 119.49 1ujs h ARG 72 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ujs h ARG 72 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1ujs h ARG 72 CO 0.01 0.18 -1.12 0.09 -1.07 0.00 0.00 179.97 178.06 1ujs n ASN 73 N -4.25 0.59 -0.02 7.04 3.02 0.10 -3.90 115.26 117.84 1ujs n ASN 73 Ca -0.02 -0.19 -0.22 0.00 -0.03 0.00 0.00 54.58 54.12 1ujs n ASN 73 Cb 0.25 0.91 -0.13 0.00 -0.61 0.00 0.00 39.78 40.19 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 0.19 0.49 3.52 4.57 0.17 -3.31 114.58 120.21 1ujs h GLU 74 Ca 0.00 -0.33 -0.02 0.00 -1.18 0.00 0.00 59.36 57.83 1ujs h GLU 74 Cb 0.76 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1ujs h GLU 74 CO 0.00 1.16 -0.27 -0.07 -1.18 0.00 0.00 179.01 178.64 1ujs h LEU 75 N -0.34 -0.67 -1.02 1.64 3.38 -0.80 -2.52 115.31 114.98 1ujs h LEU 75 Ca -0.36 0.03 0.23 0.00 0.09 0.00 0.00 57.88 57.88 1ujs h LEU 75 Cb 1.75 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 42.57 1ujs h LEU 75 CO 0.00 -0.44 0.60 0.11 0.09 0.00 0.00 178.44 178.81 1ujs h LYS 76 N -0.71 0.62 -0.38 1.13 1.57 -1.76 0.47 116.57 117.50 1ujs h LYS 76 Ca -0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ujs h LYS 76 Cb 0.57 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1ujs h LYS 76 CO 0.08 0.41 0.25 0.87 -0.57 0.00 0.00 179.45 180.48 1ujs h LYS 77 N 0.63 0.51 0.00 3.15 1.57 -1.55 0.27 116.57 121.16 1ujs h LYS 77 Ca 0.62 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.35 1ujs h LYS 77 Cb 1.13 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1ujs h LYS 77 CO -0.44 0.34 -0.54 1.96 -0.57 0.00 0.00 179.45 180.20 1ujs h GLN 78 N 0.52 0.00 -0.69 3.15 4.20 0.12 -3.25 115.11 119.16 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 -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1ujs h GLN 78 CO -0.03 0.05 0.00 0.00 -0.67 0.00 0.00 178.83 178.18 1ujs n ALA 79 N -2.16 2.45 -2.69 3.87 0.00 -0.05 -4.93 120.51 117.00 1ujs n ALA 79 Ca 0.01 -1.24 -0.19 0.00 0.00 0.00 0.00 53.44 52.02 1ujs n ALA 79 Cb 0.57 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 1.48 -2.88 -0.11 0.00 1.74 -0.13 -4.74 116.66 112.02 1ujs n ARG 80 Ca 0.23 0.81 0.06 0.00 -0.77 0.00 0.00 57.85 58.18 1ujs n ARG 80 Cb 0.61 -5.52 0.11 0.00 -1.02 0.00 0.00 32.46 26.64 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 -3.32 2.51 -4.33 0.55 4.77 0.77 0.25 117.00 118.21 1ujs n LEU 81 Ca -0.16 -2.61 -0.32 0.00 -0.03 0.00 0.00 56.01 52.89 1ujs n LEU 81 Cb 0.63 -0.28 -0.15 0.00 -2.33 0.00 0.00 43.42 41.29 1ujs n LEU 81 CO 0.33 0.64 -0.50 0.12 -1.33 0.00 0.00 177.39 176.65 1ujs s PHE 82 N -2.06 2.65 0.00 -1.77 2.19 -1.12 -4.43 117.98 113.44 1ujs s PHE 82 Ca 0.22 -0.65 0.00 0.00 0.33 0.00 0.00 56.93 56.83 1ujs s PHE 82 Cb 0.18 -1.72 0.00 0.00 -1.31 0.00 0.00 43.02 40.17 1ujs s PHE 82 CO 0.04 -0.18 0.00 0.45 1.83 0.00 0.00 175.22 177.36 1ujs n SER 83 N 3.16 3.41 0.00 6.13 2.88 -1.21 -4.85 113.62 123.14 1ujs n SER 83 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1ujs n SER 83 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 3.26 2.96 1.91 0.46 0.00 -1.26 -5.09 105.19 107.42 1ujs n GLY 84 Ca 0.00 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 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 0.78 -2.19 -4.22 1.61 -0.04 -1.26 -4.83 135.00 124.84 1ujs n PRO 85 Ca 0.00 -0.95 -0.20 0.00 -0.04 0.00 0.00 63.50 62.31 1ujs n PRO 85 Cb 0.00 -0.89 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 1ujs n PRO 85 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ujs s SER 86 N -3.11 1.94 0.30 3.54 1.04 -1.26 -5.16 113.70 110.99 1ujs s SER 86 Ca 0.39 -0.63 0.07 0.00 0.48 0.00 0.00 55.95 56.26 1ujs s SER 86 Cb -0.04 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 1ujs s SER 86 CO 0.30 -0.03 0.23 -0.55 0.98 0.00 0.00 173.24 174.17 1ujs s SER 87 N -1.75 5.31 0.00 7.02 0.15 -1.26 -5.30 113.70 117.87 1ujs s SER 87 Ca 0.01 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1ujs s SER 87 Cb -0.10 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1ujs s SER 87 CO 0.03 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.87