#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 6.47 -0.68 1.61 0.01 -1.26 -5.05 113.70 114.79 1ujs s SER 2 Ca 0.00 0.61 -0.13 0.00 1.31 0.00 0.00 55.95 57.73 1ujs s SER 2 Cb 0.00 -2.10 0.18 0.00 0.21 0.00 0.00 66.02 64.31 1ujs s SER 2 CO 0.00 -0.04 0.61 -0.44 0.41 0.00 0.00 173.24 173.79 1ujs s SER 3 N -2.76 6.35 -0.16 2.44 0.01 -1.26 -4.82 113.70 113.50 1ujs s SER 3 Ca 0.42 -2.34 -0.07 0.00 1.31 0.00 0.00 55.95 55.27 1ujs s SER 3 Cb -0.11 -2.16 0.03 0.00 0.21 0.00 0.00 66.02 63.98 1ujs s SER 3 CO 0.26 -0.66 0.14 0.61 0.41 0.00 0.00 173.24 174.00 1ujs n GLY 4 N 4.43 -3.62 3.68 3.44 0.00 -1.26 -5.06 105.19 106.79 1ujs n GLY 4 Ca 0.02 1.07 -0.08 0.00 0.00 0.00 0.00 46.02 47.03 1ujs n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujs s SER 5 N -0.74 -0.23 -0.29 1.61 0.01 -1.26 -5.17 113.70 107.62 1ujs s SER 5 Ca -0.16 -0.62 -0.15 0.00 1.31 0.00 0.00 55.95 56.33 1ujs s SER 5 Cb 0.01 0.65 0.13 0.00 0.21 0.00 0.00 66.02 67.02 1ujs s SER 5 CO 0.57 -1.20 0.88 -0.44 0.41 0.00 0.00 173.24 173.46 1ujs s SER 6 N -2.92 -0.68 0.00 2.44 0.01 -1.26 -5.16 113.70 106.13 1ujs s SER 6 Ca 0.13 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.44 1ujs s SER 6 Cb -0.03 1.39 0.00 0.00 0.21 0.00 0.00 66.02 67.59 1ujs s SER 6 CO 0.04 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1ujs n GLY 7 N 4.14 2.64 3.61 3.44 0.00 -1.26 -4.97 105.19 112.79 1ujs n GLY 7 Ca -0.17 -1.94 -0.53 0.00 0.00 0.00 0.00 46.02 43.38 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 0.00 2.52 -3.65 1.61 4.05 -1.26 -4.90 115.26 113.63 1ujs n ASN 8 Ca 0.00 0.82 -0.03 0.00 0.45 0.00 0.00 54.58 55.81 1ujs n ASN 8 Cb 0.00 -1.23 -0.07 0.00 1.23 0.00 0.00 39.78 39.71 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 5.03 -2.25 -0.13 5.20 0.00 -1.26 -4.38 121.76 123.97 1ujs s ALA 9 Ca 1.01 1.83 -0.10 0.00 0.00 0.00 0.00 51.96 54.70 1ujs s ALA 9 Cb -0.92 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 1ujs s ALA 9 CO 0.57 -0.19 0.19 0.08 0.00 0.00 0.00 175.76 176.41 1ujs s VAL 10 N 0.37 5.40 -0.46 0.00 1.01 -1.24 -5.01 120.40 120.47 1ujs s VAL 10 Ca 0.02 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1ujs s VAL 10 Cb -0.04 -3.49 0.42 0.00 0.00 0.00 0.00 36.38 33.27 1ujs s VAL 10 CO -0.12 0.54 1.24 -3.20 0.00 0.00 0.00 175.10 173.56 1ujs n ASN 11 N 2.57 5.12 -3.04 3.32 5.15 -1.26 -1.88 115.26 125.25 1ujs n ASN 11 Ca -0.17 -3.74 -0.36 0.00 -0.60 0.00 0.00 54.58 49.71 1ujs n ASN 11 Cb 0.53 -0.51 -0.04 0.00 -0.53 0.00 0.00 39.78 39.23 1ujs n ASN 11 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1ujs n TRP 12 N -0.54 -0.01 -0.63 1.20 7.02 -0.33 -4.64 117.44 119.52 1ujs n TRP 12 Ca 0.42 0.69 0.50 0.00 -1.02 0.00 0.00 57.50 58.09 1ujs n TRP 12 Cb 0.67 -1.38 0.78 0.00 -2.42 0.00 0.00 31.31 28.96 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 1.27 0.00 0.00 6.99 0.00 -1.99 -0.55 103.07 108.79 1ujs h GLY 13 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1ujs h GLY 13 CO 0.41 0.00 -0.02 -0.33 0.00 0.00 0.00 176.54 176.61 1ujs h MET 14 N 0.00 0.00 -4.17 4.80 2.86 -2.03 -3.49 114.93 112.90 1ujs h MET 14 Ca 0.87 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 58.32 1ujs h MET 14 Cb 3.58 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 35.13 1ujs h MET 14 CO -0.01 0.00 -0.35 1.03 1.06 0.00 0.00 176.91 178.64 1ujs s ARG 15 N -1.44 1.48 -0.50 1.72 1.81 -0.21 -5.12 118.95 116.68 1ujs s ARG 15 Ca -0.00 -1.53 -0.13 0.00 -1.72 0.00 0.00 55.73 52.35 1ujs s ARG 15 Cb 0.00 0.38 0.12 0.00 -0.45 0.00 0.00 34.95 35.00 1ujs s ARG 15 CO 0.01 -0.57 0.42 -2.00 -0.68 0.00 0.00 175.30 172.48 1ujs s GLU 16 N -3.89 2.74 -0.60 3.54 2.12 -1.26 -1.19 118.70 120.17 1ujs s GLU 16 Ca 0.31 -1.72 -0.21 0.00 0.36 0.00 0.00 54.97 53.72 1ujs s GLU 16 Cb 0.03 -4.11 0.08 0.00 0.26 0.00 0.00 34.13 30.38 1ujs s GLU 16 CO 0.13 -1.25 0.81 0.71 -0.54 0.00 0.00 175.26 175.12 1ujs s TYR 17 N 1.49 2.87 0.78 5.30 2.02 -0.79 -4.95 117.35 124.07 1ujs s TYR 17 Ca 0.04 -0.65 -0.16 0.00 -0.37 0.00 0.00 57.07 55.94 1ujs s TYR 17 Cb -0.28 -4.04 -0.04 0.00 -0.40 0.00 0.00 41.96 37.20 1ujs s TYR 17 CO 0.01 -1.39 0.37 1.17 -1.57 0.00 0.00 175.55 174.15 1ujs n LYS 18 N 6.91 0.13 -2.71 -0.62 4.81 -1.26 -3.65 118.16 121.77 1ujs n LYS 18 Ca -0.06 0.08 -0.43 0.00 -0.87 0.00 0.00 58.31 57.04 1ujs n LYS 18 Cb 0.44 -1.73 -0.03 0.00 0.02 0.00 0.00 35.03 33.73 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 -2.03 4.22 0.08 3.15 -1.09 -1.26 -4.50 121.20 119.78 1ujs s ILE 19 Ca 0.61 0.64 0.09 0.00 -2.23 0.00 0.00 60.65 59.75 1ujs s ILE 19 Cb -0.31 -4.62 -0.04 0.00 -1.58 0.00 0.00 42.46 35.91 1ujs s ILE 19 CO 0.62 -1.19 -0.20 -0.31 -1.23 0.00 0.00 174.94 172.63 1ujs s TYR 20 N 4.40 2.49 0.33 3.97 2.02 0.16 -4.99 117.35 125.73 1ujs s TYR 20 Ca 0.37 -0.29 -0.28 0.00 -0.37 0.00 0.00 57.07 56.50 1ujs s TYR 20 Cb -0.10 -1.38 -0.10 0.00 -0.40 0.00 0.00 41.96 39.99 1ujs s TYR 20 CO 0.23 0.30 1.22 -1.25 -1.57 0.00 0.00 175.55 174.48 1ujs s PRO 21 N -1.78 4.36 0.24 -1.71 0.04 -1.26 -4.16 135.00 130.73 1ujs s PRO 21 Ca 0.16 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.16 1ujs s PRO 21 Cb -0.10 -3.01 0.45 0.00 0.04 0.00 0.00 34.50 31.87 1ujs s PRO 21 CO 0.07 -0.11 1.66 -0.92 0.04 0.00 0.00 177.00 177.74 1ujs h TYR 22 N 3.33 0.14 -0.20 0.56 3.20 -1.93 0.21 116.97 122.28 1ujs h TYR 22 Ca -0.48 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.45 1ujs h TYR 22 Cb 1.22 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 1ujs h TYR 22 CO 0.56 -0.15 -0.15 1.05 -1.64 0.00 0.00 178.16 177.83 1ujs h GLU 23 N 0.19 -0.04 0.00 1.82 4.11 -1.99 0.27 114.58 118.95 1ujs h GLU 23 Ca 0.41 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.83 1ujs h GLU 23 Cb 0.72 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1ujs h GLU 23 CO -0.57 -0.03 -0.07 1.37 0.07 0.00 0.00 179.01 179.79 1ujs h LEU 24 N -0.04 0.00 -0.43 3.06 8.10 -1.77 -2.01 115.31 122.22 1ujs h LEU 24 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.02 1ujs h LEU 24 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.35 1ujs h LEU 24 CO -0.21 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.37 1ujs n LEU 25 N -3.25 0.60 -4.76 0.17 4.77 0.75 -2.53 117.00 112.75 1ujs n LEU 25 Ca -0.00 -0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 55.38 1ujs n LEU 25 Cb 0.28 -0.10 0.13 0.00 -2.33 0.00 0.00 43.42 41.40 1ujs n LEU 25 CO 0.28 0.14 0.69 -0.76 -1.33 0.00 0.00 177.39 176.41 1ujs s LEU 26 N -0.95 2.13 -0.28 2.23 1.43 0.04 -4.57 118.68 118.71 1ujs s LEU 26 Ca 0.06 1.20 0.16 0.00 -1.03 0.00 0.00 54.13 54.52 1ujs s LEU 26 Cb 0.03 -3.59 0.48 0.00 0.03 0.00 0.00 46.19 43.15 1ujs s LEU 26 CO 0.04 -2.53 1.13 0.55 0.23 0.00 0.00 176.35 175.77 1ujs n VAL 27 N -3.78 1.76 -1.61 -1.59 3.14 0.71 -4.70 118.33 112.26 1ujs n VAL 27 Ca 0.06 -3.49 -0.43 0.00 -2.96 0.00 0.00 64.34 57.52 1ujs n VAL 27 Cb 0.57 0.27 -0.03 0.00 -1.06 0.00 0.00 33.84 33.58 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 -0.60 0.46 0.02 1.55 -2.24 -1.26 -4.88 114.28 107.32 1ujs n THR 28 Ca 0.22 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 1ujs n THR 28 Cb 0.86 -2.43 -0.08 0.00 -2.10 0.00 0.00 70.33 66.58 1ujs n THR 28 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1ujs h THR 29 N 6.67 0.00 0.16 4.28 2.02 -1.98 -3.22 112.91 120.84 1ujs h THR 29 Ca -0.43 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.41 1ujs h THR 29 Cb 1.25 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1ujs h THR 29 CO 0.96 0.00 -1.70 0.08 0.37 0.00 0.00 175.52 175.23 1ujs h ARG 30 N -0.52 0.34 -6.29 6.66 0.11 -2.06 -3.48 114.38 109.14 1ujs h ARG 30 Ca 0.02 -0.59 -0.51 0.00 0.10 0.00 0.00 59.98 59.00 1ujs h ARG 30 Cb 0.58 0.22 0.24 0.00 1.11 0.00 0.00 29.97 32.12 1ujs h ARG 30 CO -0.33 1.28 -1.73 0.41 0.10 0.00 0.00 179.97 179.69 1ujs n GLY 31 N 1.85 -3.20 2.91 0.08 0.00 -1.21 -4.81 105.19 100.80 1ujs n GLY 31 Ca -0.26 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 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 0.74 3.77 -1.58 1.61 1.85 -1.26 -4.81 116.66 116.98 1ujs n ARG 32 Ca 0.00 -3.73 -0.38 0.00 -1.00 0.00 0.00 57.85 52.75 1ujs n ARG 32 Cb 0.63 -2.85 0.05 0.00 -1.05 0.00 0.00 32.46 29.24 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 3.46 0.33 -1.41 2.89 0.23 -1.26 -4.93 115.26 114.56 1ujs n ASN 33 Ca 0.37 0.77 -0.11 0.00 -0.53 0.00 0.00 54.58 55.08 1ujs n ASN 33 Cb 0.36 -1.34 0.11 0.00 -2.08 0.00 0.00 39.78 36.82 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 -0.89 2.69 -1.84 -3.83 3.00 -1.25 -5.05 116.66 109.50 1ujs n ARG 34 Ca 0.14 -3.76 -0.42 0.00 -0.00 0.00 0.00 57.85 53.81 1ujs n ARG 34 Cb 0.48 -1.99 -0.03 0.00 0.00 0.00 0.00 32.46 30.92 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 -3.44 4.37 0.00 6.15 1.43 -1.05 -4.77 118.68 121.37 1ujs s LEU 35 Ca 0.46 2.69 -0.06 0.00 -1.03 0.00 0.00 54.13 56.19 1ujs s LEU 35 Cb 0.40 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 43.12 1ujs s LEU 35 CO -0.01 -0.91 0.32 -0.81 0.23 0.00 0.00 176.35 175.18 1ujs n PRO 36 N 4.53 -1.65 -0.35 1.29 -0.04 -1.26 -4.97 135.00 132.55 1ujs n PRO 36 Ca 0.15 -0.52 0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1ujs n PRO 36 Cb 0.38 -0.48 0.29 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 -2.50 2.85 -0.14 0.54 2.85 -1.26 -4.20 118.16 116.31 1ujs n LYS 37 Ca 0.04 -2.54 0.07 0.00 -1.05 0.00 0.00 58.31 54.84 1ujs n LYS 37 Cb 0.17 -1.53 0.10 0.00 -0.65 0.00 0.00 35.03 33.13 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 1.32 1.89 -4.87 -5.58 2.03 -1.26 -5.05 116.55 105.03 1ujs n ASP 38 Ca 0.22 -2.80 -0.25 0.00 0.52 0.00 0.00 54.79 52.48 1ujs n ASP 38 Cb 0.60 -0.36 -0.04 0.00 -0.72 0.00 0.00 41.12 40.61 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 -2.22 4.86 -0.38 5.18 -7.23 -1.26 -4.45 120.40 114.89 1ujs s VAL 39 Ca 0.24 -1.00 -0.08 0.00 -1.81 0.00 0.00 61.98 59.33 1ujs s VAL 39 Cb 0.21 -3.54 0.06 0.00 0.56 0.00 0.00 36.38 33.67 1ujs s VAL 39 CO 0.02 -0.18 0.19 -1.81 -0.31 0.00 0.00 175.10 173.01 1ujs s ASP 40 N -3.41 5.49 0.40 4.85 1.11 -1.26 -4.94 116.67 118.92 1ujs s ASP 40 Ca 0.33 -1.33 0.16 0.00 0.18 0.00 0.00 52.55 51.89 1ujs s ASP 40 Cb -0.10 -1.93 0.89 0.00 1.07 0.00 0.00 42.92 42.85 1ujs s ASP 40 CO 0.26 -0.43 1.42 0.03 1.18 0.00 0.00 175.17 177.63 1ujs h ARG 41 N 8.31 0.00 0.00 8.23 -0.00 -1.98 1.70 114.38 130.64 1ujs h ARG 41 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.25 1ujs h ARG 41 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.05 1ujs h ARG 41 CO 0.68 0.00 -1.82 0.25 0.00 0.00 0.00 179.97 179.08 1ujs n THR 42 N -2.23 0.00 -1.85 2.04 -2.24 -1.26 -3.29 114.28 105.45 1ujs n THR 42 Ca -0.01 -0.41 0.05 0.00 -2.27 0.00 0.00 64.05 61.41 1ujs n THR 42 Cb 0.34 0.10 0.13 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.13 0.94 -0.32 -0.78 5.12 0.27 -4.83 116.66 114.94 1ujs n ARG 43 Ca -0.03 -2.64 0.14 0.00 -1.93 0.00 0.00 57.85 53.39 1ujs n ARG 43 Cb 0.48 -1.02 0.37 0.00 -1.16 0.00 0.00 32.46 31.13 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 0.80 0.68 -1.26 0.55 3.38 0.19 0.16 115.31 119.82 1ujs h LEU 44 Ca -0.07 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ujs h LEU 44 Cb 1.31 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1ujs h LEU 44 CO 0.03 0.28 0.16 1.05 0.09 0.00 0.00 178.44 180.04 1ujs h GLU 45 N 0.68 0.67 0.00 1.13 4.11 -1.84 -1.28 114.58 118.05 1ujs h GLU 45 Ca 0.53 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.85 1ujs h GLU 45 Cb 0.91 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1ujs h GLU 45 CO -0.29 0.58 0.00 0.00 0.07 0.00 0.00 179.01 179.37 1ujs h ARG 46 N 0.66 0.00 -0.00 1.06 3.08 -1.05 -0.29 114.38 117.83 1ujs h ARG 46 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1ujs h ARG 46 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1ujs h ARG 46 CO -0.01 0.00 -0.03 0.72 -1.07 0.00 0.00 179.97 179.58 1ujs n HIS 47 N -2.81 0.00 -3.32 3.04 8.25 -0.48 -4.77 115.22 115.13 1ujs n HIS 47 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 1ujs n HIS 47 Cb 0.14 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 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 -2.33 4.19 0.36 2.41 1.43 -0.12 0.36 118.68 124.97 1ujs s LEU 48 Ca 0.36 0.66 -0.28 0.00 -1.03 0.00 0.00 54.13 53.83 1ujs s LEU 48 Cb 0.21 -2.63 -0.11 0.00 0.03 0.00 0.00 46.19 43.68 1ujs s LEU 48 CO 0.43 -0.09 1.50 -0.94 0.23 0.00 0.00 176.35 177.48 1ujs s SER 49 N 0.95 6.36 0.60 2.29 1.04 -1.26 -4.19 113.70 119.49 1ujs s SER 49 Ca 0.23 3.02 0.27 0.00 0.48 0.00 0.00 55.95 59.95 1ujs s SER 49 Cb -0.15 -2.66 0.93 0.00 0.10 0.00 0.00 66.02 64.24 1ujs s SER 49 CO 0.09 -0.87 1.29 0.00 0.98 0.00 0.00 173.24 174.73 1ujs n GLN 50 N 0.84 0.01 -0.02 4.02 6.02 -1.26 0.18 117.38 127.17 1ujs n GLN 50 Ca 0.02 1.01 -0.16 0.00 -0.01 0.00 0.00 57.00 57.87 1ujs n GLN 50 Cb 0.39 -2.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.05 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 0.32 0.00 -1.09 4.39 -1.98 -3.29 114.58 112.93 1ujs h GLU 51 Ca 0.50 -0.30 -0.08 0.00 0.34 0.00 0.00 59.36 59.83 1ujs h GLU 51 Cb 2.93 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 31.65 1ujs h GLU 51 CO -0.01 0.97 -0.49 0.93 -1.16 0.00 0.00 179.01 179.25 1ujs h GLU 52 N -0.23 0.00 -1.68 2.33 4.39 0.15 -3.19 114.58 116.35 1ujs h GLU 52 Ca -0.04 0.00 0.50 0.00 0.34 0.00 0.00 59.36 60.16 1ujs h GLU 52 Cb 1.08 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.66 1ujs h GLU 52 CO 0.08 0.67 1.20 0.34 -1.16 0.00 0.00 179.01 180.14 1ujs n PHE 53 N -4.58 0.07 0.07 4.33 -0.00 0.13 0.24 117.46 117.71 1ujs n PHE 53 Ca -0.15 0.07 -0.23 0.00 -0.00 0.00 0.00 57.45 57.14 1ujs n PHE 53 Cb 0.43 -0.50 -0.15 0.00 -0.00 0.00 0.00 39.48 39.26 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 0.70 0.00 -5.13 5.03 -1.61 -2.65 116.97 113.31 1ujs h TYR 54 Ca 0.82 -0.51 0.00 0.00 2.58 0.00 0.00 58.73 61.62 1ujs h TYR 54 Cb 3.24 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.49 1ujs h TYR 54 CO -0.00 1.69 0.00 1.96 -1.32 0.00 0.00 178.16 180.49 1ujs h GLN 55 N 0.10 0.00 0.00 1.82 4.20 0.31 1.88 115.11 123.42 1ujs h GLN 55 Ca -0.35 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.25 1ujs h GLN 55 Cb 2.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.86 1ujs h GLN 55 CO 0.17 0.00 -1.20 0.28 -0.67 0.00 0.00 178.83 177.41 1ujs n VAL 56 N -2.54 1.49 0.08 -0.54 0.31 -0.20 -4.64 118.33 112.29 1ujs n VAL 56 Ca -0.00 0.05 -0.15 0.00 -0.01 0.00 0.00 64.34 64.23 1ujs n VAL 56 Cb 0.14 -2.25 -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 0.40 0.00 3.52 -1.00 -1.46 -3.49 116.94 113.91 1ujs h PHE 57 Ca -0.16 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 60.34 1ujs h PHE 57 Cb 1.03 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.58 1ujs h PHE 57 CO -0.29 1.26 0.00 0.41 -1.61 0.00 0.00 178.31 178.08 1ujs n GLY 58 N 1.55 1.17 3.83 -1.45 0.00 0.64 -5.04 105.19 105.89 1ujs n GLY 58 Ca -0.10 -0.07 -0.07 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 -0.38 1.86 -0.04 1.61 0.23 -1.19 -4.99 119.30 116.40 1ujs s MET 59 Ca 0.00 -1.16 -0.10 0.00 -1.03 0.00 0.00 55.69 53.40 1ujs s MET 59 Cb 0.00 0.54 -0.05 0.00 -1.53 0.00 0.00 34.83 33.80 1ujs s MET 59 CO 0.00 -0.86 0.29 0.95 -2.03 0.00 0.00 175.02 173.36 1ujs s THR 60 N -2.64 5.25 0.38 3.16 -4.23 -1.26 -3.29 115.64 113.02 1ujs s THR 60 Ca 0.16 0.48 0.24 0.00 -1.18 0.00 0.00 61.69 61.39 1ujs s THR 60 Cb -0.04 -3.57 0.39 0.00 1.34 0.00 0.00 72.50 70.62 1ujs s THR 60 CO 0.08 0.54 1.52 0.00 -0.54 0.00 0.00 174.62 176.23 1ujs n ILE 61 N 1.71 -0.35 -0.28 2.99 0.13 -1.26 0.17 119.36 122.47 1ujs n ILE 61 Ca -0.15 1.88 -0.00 0.00 -1.10 0.00 0.00 62.75 63.38 1ujs n ILE 61 Cb 0.53 -3.07 0.12 0.00 -0.84 0.00 0.00 39.64 36.38 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 0.75 0.56 9.51 0.87 -2.00 0.20 113.55 123.45 1ujs h SER 62 Ca 0.83 0.02 -0.26 0.00 -1.23 0.00 0.00 61.79 61.14 1ujs h SER 62 Cb 2.37 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 64.19 1ujs h SER 62 CO -0.64 0.48 -1.18 -0.33 -0.53 0.00 0.00 176.83 174.63 1ujs h GLU 63 N 0.88 0.30 -0.02 2.24 5.08 0.14 -3.27 114.58 119.93 1ujs h GLU 63 Ca 0.34 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1ujs h GLU 63 Cb 0.15 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ujs h GLU 63 CO -0.17 1.20 0.01 0.35 -1.00 0.00 0.00 179.01 179.41 1ujs h PHE 64 N 0.11 0.03 0.00 4.33 3.04 -0.52 -1.69 116.94 122.25 1ujs h PHE 64 Ca -0.12 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.83 1ujs h PHE 64 Cb 1.89 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 40.39 1ujs h PHE 64 CO 0.06 0.07 0.01 0.22 -2.02 0.00 0.00 178.31 176.65 1ujs h ASP 65 N -0.02 0.00 -0.14 0.41 3.58 -1.08 0.23 116.42 119.40 1ujs h ASP 65 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1ujs h ASP 65 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 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 -2.94 1.65 -2.30 0.28 1.74 -0.64 -4.90 116.66 109.55 1ujs n ARG 66 Ca -0.03 -0.98 -0.26 0.00 -0.77 0.00 0.00 57.85 55.82 1ujs n ARG 66 Cb 0.07 -1.39 0.13 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.58 2.87 0.20 0.55 1.43 0.81 -5.06 118.68 117.89 1ujs s LEU 67 Ca 0.32 -0.00 -0.24 0.00 -1.03 0.00 0.00 54.13 53.18 1ujs s LEU 67 Cb 0.17 -2.31 -0.08 0.00 0.03 0.00 0.00 46.19 44.00 1ujs s LEU 67 CO 0.26 -2.10 0.80 0.00 0.23 0.00 0.00 176.35 175.54 1ujs s ALA 68 N -3.41 3.41 0.21 4.21 0.00 -1.26 -4.81 121.76 120.11 1ujs s ALA 68 Ca 0.68 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 1ujs s ALA 68 Cb -0.06 -2.97 0.23 0.00 0.00 0.00 0.00 23.12 20.32 1ujs s ALA 68 CO 0.47 0.28 1.38 -0.11 0.00 0.00 0.00 175.76 177.78 1ujs n LEU 69 N 1.27 -0.55 -0.35 0.00 7.94 -1.26 0.17 117.00 124.22 1ujs n LEU 69 Ca -0.04 1.55 0.06 0.00 -1.11 0.00 0.00 56.01 56.47 1ujs n LEU 69 Cb 0.49 -0.36 0.21 0.00 0.53 0.00 0.00 43.42 44.29 1ujs n LEU 69 CO 0.45 -1.40 1.21 4.11 -1.11 0.00 0.00 177.39 180.66 1ujs h TRP 70 N 0.00 1.07 -0.07 1.96 5.08 -1.96 0.32 115.95 122.35 1ujs h TRP 70 Ca 0.32 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 60.30 1ujs h TRP 70 Cb 0.54 -0.34 -0.00 0.00 -3.00 0.00 0.00 29.16 26.36 1ujs h TRP 70 CO -0.77 0.44 -0.05 -0.22 -1.28 0.00 0.00 178.44 176.56 1ujs h LYS 71 N 0.96 0.16 0.00 0.12 1.63 0.14 0.87 116.57 120.45 1ujs h LYS 71 Ca 0.47 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 60.16 1ujs h LYS 71 Cb 0.43 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1ujs h LYS 71 CO -0.25 0.55 -0.17 0.00 -3.45 0.00 0.00 179.45 176.12 1ujs h ARG 72 N -0.23 0.00 0.00 1.90 3.08 0.11 0.21 114.38 119.45 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 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1ujs h ARG 72 CO 0.01 0.17 -1.09 0.09 -1.07 0.00 0.00 179.97 178.09 1ujs n ASN 73 N -4.28 0.60 -0.02 7.04 3.02 0.11 -3.86 115.26 117.86 1ujs n ASN 73 Ca -0.02 -0.18 -0.22 0.00 -0.03 0.00 0.00 54.58 54.13 1ujs n ASN 73 Cb 0.24 0.86 -0.13 0.00 -0.61 0.00 0.00 39.78 40.13 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 0.27 3.52 4.57 0.15 -3.31 114.58 119.97 1ujs h GLU 74 Ca 0.00 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 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 1.15 -0.14 -0.07 -1.18 0.00 0.00 179.01 178.77 1ujs h LEU 75 N -0.37 -0.35 -1.08 1.64 3.38 -0.79 -2.48 115.31 115.26 1ujs h LEU 75 Ca -0.36 0.02 0.19 0.00 0.09 0.00 0.00 57.88 57.82 1ujs h LEU 75 Cb 1.73 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 42.47 1ujs h LEU 75 CO -0.00 -0.24 0.61 0.11 0.09 0.00 0.00 178.44 179.01 1ujs h LYS 76 N -0.39 0.70 -0.33 1.13 1.57 -1.76 0.31 116.57 117.80 1ujs h LYS 76 Ca -0.03 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1ujs h LYS 76 Cb 0.31 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1ujs h LYS 76 CO 0.05 0.46 0.14 0.87 -0.57 0.00 0.00 179.45 180.40 1ujs h LYS 77 N 0.72 0.46 0.00 3.15 1.57 -1.54 0.26 116.57 121.19 1ujs h LYS 77 Ca 0.56 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.28 1ujs h LYS 77 Cb 0.94 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1ujs h LYS 77 CO -0.35 0.38 -0.47 1.96 -0.57 0.00 0.00 179.45 180.40 1ujs h GLN 78 N 0.46 0.00 -0.70 3.15 4.20 -0.20 -3.24 115.11 118.78 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 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1ujs h GLN 78 CO -0.01 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 1ujs n ALA 79 N -2.15 2.39 -2.74 3.87 0.00 -0.03 -4.93 120.51 116.92 1ujs n ALA 79 Ca 0.02 -1.23 -0.20 0.00 0.00 0.00 0.00 53.44 52.03 1ujs n ALA 79 Cb 0.55 -0.94 0.01 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 1.57 -3.04 -0.06 0.00 1.74 -0.23 -4.75 116.66 111.88 1ujs n ARG 80 Ca 0.24 0.80 0.02 0.00 -0.77 0.00 0.00 57.85 58.13 1ujs n ARG 80 Cb 0.59 -5.51 0.05 0.00 -1.02 0.00 0.00 32.46 26.58 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 -3.38 2.30 -4.57 0.55 4.77 0.74 0.25 117.00 117.67 1ujs n LEU 81 Ca -0.15 -1.97 -0.34 0.00 -0.03 0.00 0.00 56.01 53.52 1ujs n LEU 81 Cb 0.63 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 1ujs n LEU 81 CO 0.35 0.57 -0.36 0.12 -1.33 0.00 0.00 177.39 176.74 1ujs s PHE 82 N -0.98 2.99 0.00 -1.77 2.19 -1.06 -4.46 117.98 114.89 1ujs s PHE 82 Ca 0.08 -0.06 0.00 0.00 0.33 0.00 0.00 56.93 57.28 1ujs s PHE 82 Cb 0.04 -1.79 0.00 0.00 -1.31 0.00 0.00 43.02 39.96 1ujs s PHE 82 CO 0.06 0.23 0.00 0.43 1.83 0.00 0.00 175.22 177.77 1ujs n SER 83 N 2.61 2.01 -0.10 6.13 7.64 -1.21 -4.85 113.62 125.85 1ujs n SER 83 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1ujs n SER 83 Cb 0.53 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1ujs n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujs n GLY 84 N 2.42 -0.44 3.62 0.23 0.00 -1.26 -5.07 105.19 104.69 1ujs n GLY 84 Ca 0.00 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.83 -0.61 0.15 1.61 0.04 -1.26 -4.94 135.00 126.16 1ujs s PRO 85 Ca 0.00 0.16 -0.31 0.00 0.04 0.00 0.00 61.00 60.89 1ujs s PRO 85 Cb 0.00 -1.65 -0.09 0.00 0.04 0.00 0.00 34.50 32.80 1ujs s PRO 85 CO 0.00 -3.35 1.48 -1.54 0.04 0.00 0.00 177.00 173.64 1ujs s SER 86 N -3.71 6.69 0.23 6.66 1.04 -1.26 -4.90 113.70 118.46 1ujs s SER 86 Ca 0.69 2.49 -0.13 0.00 0.48 0.00 0.00 55.95 59.48 1ujs s SER 86 Cb -0.13 -2.59 0.30 0.00 0.10 0.00 0.00 66.02 63.69 1ujs s SER 86 CO 0.57 -0.74 1.59 -1.28 0.98 0.00 0.00 173.24 174.35 1ujs h SER 87 N 6.71 -0.93 0.00 7.02 0.87 -2.03 -3.56 113.55 121.62 1ujs h SER 87 Ca -0.43 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1ujs h SER 87 Cb 1.21 0.56 0.00 0.00 -0.44 0.00 0.00 62.40 63.72 1ujs h SER 87 CO 0.89 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.52