#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 0.12 -3.08 1.61 4.64 -2.01 -3.46 113.55 111.37 1ujs h SER 2 Ca 0.00 -0.69 -0.64 0.00 -0.47 0.00 0.00 61.79 59.99 1ujs h SER 2 Cb 0.00 -0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 61.89 1ujs h SER 2 CO 0.00 0.80 -0.76 -0.94 -0.87 0.00 0.00 176.83 175.05 1ujs s SER 3 N -6.07 3.94 -0.30 4.97 1.04 -1.26 -5.13 113.70 110.89 1ujs s SER 3 Ca -0.16 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 55.47 1ujs s SER 3 Cb 0.01 -0.54 0.12 0.00 0.10 0.00 0.00 66.02 65.71 1ujs s SER 3 CO 0.71 0.11 0.68 -0.83 0.98 0.00 0.00 173.24 174.89 1ujs s GLY 4 N -2.76 -0.68 -0.38 7.32 0.00 -1.26 -4.71 107.32 104.86 1ujs s GLY 4 Ca 0.23 2.41 0.05 0.00 0.00 0.00 0.00 44.72 47.42 1ujs s GLY 4 CO 0.13 2.98 1.29 -1.26 0.00 0.00 0.00 173.10 176.24 1ujs n SER 5 N 5.24 5.25 -4.52 1.64 2.88 -1.26 -5.03 113.62 117.82 1ujs n SER 5 Ca -0.13 -3.75 -0.37 0.00 -1.33 0.00 0.00 58.87 53.29 1ujs n SER 5 Cb 0.51 -0.45 -0.12 0.00 -0.75 0.00 0.00 64.21 63.39 1ujs n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ujs n SER 6 N -0.68 0.76 -3.23 -3.46 2.88 -1.26 -4.81 113.62 103.83 1ujs n SER 6 Ca 0.45 -0.13 -0.02 0.00 -1.33 0.00 0.00 58.87 57.84 1ujs n SER 6 Cb 0.85 -1.10 -0.02 0.00 -0.75 0.00 0.00 64.21 63.18 1ujs n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujs s GLY 7 N 9.25 -0.98 -1.65 0.46 0.00 -1.26 -4.94 107.32 108.20 1ujs s GLY 7 Ca 1.24 0.33 -0.15 0.00 0.00 0.00 0.00 44.72 46.14 1ujs s GLY 7 CO 0.42 3.44 0.72 -2.01 0.00 0.00 0.00 173.10 175.67 1ujs n ASN 8 N 4.89 -2.81 -2.59 1.64 4.05 -1.26 -4.87 115.26 114.30 1ujs n ASN 8 Ca 0.07 -1.01 -0.02 0.00 0.45 0.00 0.00 54.58 54.07 1ujs n ASN 8 Cb 0.53 -2.83 0.02 0.00 1.23 0.00 0.00 39.78 38.72 1ujs n ASN 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ujs n ALA 9 N -4.41 -1.85 -0.87 5.20 0.00 -1.26 -4.69 120.51 112.63 1ujs n ALA 9 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 53.44 52.41 1ujs n ALA 9 Cb 0.53 0.41 0.26 0.00 0.00 0.00 0.00 19.45 20.66 1ujs n ALA 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ujs s VAL 10 N -2.22 1.39 -0.27 0.00 -7.23 -1.26 -4.92 120.40 105.90 1ujs s VAL 10 Ca 0.16 0.00 0.11 0.00 -1.81 0.00 0.00 61.98 60.44 1ujs s VAL 10 Cb -0.02 -2.37 0.47 0.00 0.56 0.00 0.00 36.38 35.01 1ujs s VAL 10 CO 0.04 0.00 1.18 -0.46 -0.31 0.00 0.00 175.10 175.55 1ujs n ASN 11 N -5.12 3.82 -4.66 4.85 6.94 -1.26 -4.64 115.26 115.18 1ujs n ASN 11 Ca 0.15 -3.35 -0.43 0.00 -0.02 0.00 0.00 54.58 50.93 1ujs n ASN 11 Cb 0.60 -0.39 -0.02 0.00 -2.36 0.00 0.00 39.78 37.61 1ujs n ASN 11 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1ujs s TRP 12 N -3.51 3.30 0.19 -2.53 0.52 -1.26 -4.93 118.94 110.72 1ujs s TRP 12 Ca 0.44 1.43 -0.08 0.00 0.02 0.00 0.00 56.10 57.91 1ujs s TRP 12 Cb 0.39 -3.29 0.10 0.00 -1.15 0.00 0.00 33.47 29.51 1ujs s TRP 12 CO 0.01 -0.61 1.63 0.78 0.02 0.00 0.00 176.95 178.78 1ujs h GLY 13 N 9.29 1.07 0.18 0.98 0.00 -1.97 -3.30 103.07 109.32 1ujs h GLY 13 Ca -0.22 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.27 1ujs h GLY 13 CO 0.96 0.77 -0.16 -0.33 0.00 0.00 0.00 176.54 177.78 1ujs h MET 14 N 0.88 -0.32 -4.90 4.80 2.86 -1.96 -3.47 114.93 112.82 1ujs h MET 14 Ca 0.14 0.02 -0.44 0.00 -2.06 0.00 0.00 59.70 57.36 1ujs h MET 14 Cb 0.65 0.07 -0.14 0.00 0.06 0.00 0.00 31.60 32.24 1ujs h MET 14 CO 0.04 -0.22 -0.54 1.03 1.06 0.00 0.00 176.91 178.28 1ujs s ARG 15 N -3.91 1.65 -0.39 1.72 1.81 -1.24 -5.13 118.95 113.46 1ujs s ARG 15 Ca -0.06 -1.96 -0.04 0.00 -1.72 0.00 0.00 55.73 51.96 1ujs s ARG 15 Cb 0.01 -0.11 0.10 0.00 -0.45 0.00 0.00 34.95 34.49 1ujs s ARG 15 CO 0.19 -0.48 0.18 -2.00 -0.68 0.00 0.00 175.30 172.51 1ujs s GLU 16 N -3.76 2.16 -0.54 3.54 2.12 -1.26 -4.27 118.70 116.68 1ujs s GLU 16 Ca 0.35 -1.68 -0.20 0.00 0.36 0.00 0.00 54.97 53.80 1ujs s GLU 16 Cb 0.04 -3.55 0.07 0.00 0.26 0.00 0.00 34.13 30.95 1ujs s GLU 16 CO 0.18 -0.98 0.71 0.71 -0.54 0.00 0.00 175.26 175.34 1ujs s TYR 17 N 1.20 2.98 0.40 5.30 2.02 -1.26 -5.03 117.35 122.95 1ujs s TYR 17 Ca 0.05 -0.59 -0.26 0.00 -0.37 0.00 0.00 57.07 55.91 1ujs s TYR 17 Cb -0.22 -3.78 -0.11 0.00 -0.40 0.00 0.00 41.96 37.45 1ujs s TYR 17 CO -0.03 -1.18 1.18 1.17 -1.57 0.00 0.00 175.55 175.12 1ujs n LYS 18 N 6.48 1.74 -2.14 -0.62 4.81 -1.26 -4.23 118.16 122.94 1ujs n LYS 18 Ca -0.06 0.62 -0.43 0.00 -0.87 0.00 0.00 58.31 57.57 1ujs n LYS 18 Cb 0.45 -2.23 -0.02 0.00 0.02 0.00 0.00 35.03 33.24 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 -1.20 3.64 0.08 3.15 -1.09 -1.26 -4.65 121.20 119.88 1ujs s ILE 19 Ca 0.61 0.65 0.10 0.00 -2.23 0.00 0.00 60.65 59.77 1ujs s ILE 19 Cb -0.55 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.43 1ujs s ILE 19 CO 0.58 -0.56 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.17 1ujs s TYR 20 N 6.34 2.19 0.34 3.97 2.02 0.13 -5.01 117.35 127.32 1ujs s TYR 20 Ca 0.72 -0.40 -0.28 0.00 -0.37 0.00 0.00 57.07 56.75 1ujs s TYR 20 Cb -0.19 -1.25 -0.10 0.00 -0.40 0.00 0.00 41.96 40.03 1ujs s TYR 20 CO 0.33 0.21 1.22 -1.25 -1.57 0.00 0.00 175.55 174.49 1ujs s PRO 21 N -1.63 4.33 0.23 -1.71 0.04 -1.26 -4.16 135.00 130.83 1ujs s PRO 21 Ca 0.11 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 63.06 1ujs s PRO 21 Cb -0.10 -2.98 0.34 0.00 0.04 0.00 0.00 34.50 31.80 1ujs s PRO 21 CO 0.04 -0.14 1.64 -0.92 0.04 0.00 0.00 177.00 177.67 1ujs h TYR 22 N 3.26 -0.11 -0.07 0.56 3.20 -1.92 0.20 116.97 122.09 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 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 1ujs h TYR 22 CO 0.56 -0.22 -0.04 1.05 -1.64 0.00 0.00 178.16 177.87 1ujs h GLU 23 N 0.09 -0.01 0.00 1.82 4.11 -1.98 0.38 114.58 118.99 1ujs h GLU 23 Ca 0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.78 1ujs h GLU 23 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1ujs h GLU 23 CO -0.61 -0.00 -0.06 1.37 0.07 0.00 0.00 179.01 179.78 1ujs h LEU 24 N -0.01 0.00 -0.45 3.06 8.10 -1.78 -1.54 115.31 122.69 1ujs h LEU 24 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.00 1ujs h LEU 24 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.25 1ujs h LEU 24 CO -0.07 0.06 0.00 0.18 -4.11 0.00 0.00 178.44 174.50 1ujs n LEU 25 N -3.30 0.62 -4.79 0.17 4.77 0.11 -2.14 117.00 112.45 1ujs n LEU 25 Ca -0.01 -0.31 -0.29 0.00 -0.03 0.00 0.00 56.01 55.37 1ujs n LEU 25 Cb 0.23 -0.11 0.13 0.00 -2.33 0.00 0.00 43.42 41.33 1ujs n LEU 25 CO 0.27 0.14 0.71 -0.76 -1.33 0.00 0.00 177.39 176.42 1ujs s LEU 26 N -0.93 2.15 -0.05 2.23 1.43 0.06 -4.56 118.68 119.01 1ujs s LEU 26 Ca 0.06 1.06 0.18 0.00 -1.03 0.00 0.00 54.13 54.41 1ujs s LEU 26 Cb 0.03 -3.46 0.35 0.00 0.03 0.00 0.00 46.19 43.14 1ujs s LEU 26 CO 0.04 -2.43 1.15 0.55 0.23 0.00 0.00 176.35 175.89 1ujs n VAL 27 N -3.70 0.53 -1.01 -1.59 3.14 0.71 -4.67 118.33 111.75 1ujs n VAL 27 Ca 0.07 -1.33 -0.39 0.00 -2.96 0.00 0.00 64.34 59.73 1ujs n VAL 27 Cb 0.58 0.61 -0.05 0.00 -1.06 0.00 0.00 33.84 33.92 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 0.28 0.39 1.55 -2.24 -1.26 -4.77 114.28 108.21 1ujs n THR 28 Ca 0.08 -0.07 0.13 0.00 -2.27 0.00 0.00 64.05 61.92 1ujs n THR 28 Cb 0.95 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.71 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 1.77 0.00 0.00 4.28 2.02 -1.99 -3.39 112.91 115.60 1ujs h THR 29 Ca -0.32 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1ujs h THR 29 Cb 0.97 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1ujs h THR 29 CO 0.43 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.86 1ujs n ARG 30 N -2.42 0.00 -1.23 6.66 5.12 -1.26 -5.08 116.66 118.44 1ujs n ARG 30 Ca 0.02 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.55 1ujs n ARG 30 Cb 0.26 -0.24 0.01 0.00 -1.16 0.00 0.00 32.46 31.33 1ujs n ARG 30 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ujs n GLY 31 N 2.91 -3.03 3.57 -0.13 0.00 -1.26 -4.74 105.19 102.52 1ujs n GLY 31 Ca 0.00 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1ujs n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujs s ARG 32 N -0.98 3.54 0.51 1.61 1.81 -1.26 -4.68 118.95 119.50 1ujs s ARG 32 Ca 0.56 -1.48 -0.21 0.00 -1.72 0.00 0.00 55.73 52.87 1ujs s ARG 32 Cb -0.52 -5.41 -0.08 0.00 -0.45 0.00 0.00 34.95 28.50 1ujs s ARG 32 CO 0.64 -2.59 0.93 0.09 -0.68 0.00 0.00 175.30 173.68 1ujs n ASN 33 N 9.88 0.78 -1.81 0.23 3.02 -1.26 -4.91 115.26 121.19 1ujs n ASN 33 Ca 0.43 0.91 -0.18 0.00 -0.03 0.00 0.00 54.58 55.71 1ujs n ASN 33 Cb 0.48 -1.34 0.17 0.00 -0.61 0.00 0.00 39.78 38.47 1ujs n ASN 33 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1ujs n ARG 34 N -0.33 2.22 -1.88 3.52 3.00 -1.25 -5.01 116.66 116.93 1ujs n ARG 34 Ca 0.11 -3.19 -0.42 0.00 -0.00 0.00 0.00 57.85 54.35 1ujs n ARG 34 Cb 0.43 -2.05 -0.03 0.00 0.00 0.00 0.00 32.46 30.81 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 -3.37 4.37 0.00 6.15 1.43 -0.91 -4.77 118.68 121.58 1ujs s LEU 35 Ca 0.53 2.68 -0.07 0.00 -1.03 0.00 0.00 54.13 56.24 1ujs s LEU 35 Cb 0.45 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 43.18 1ujs s LEU 35 CO 0.04 -0.86 0.38 -0.81 0.23 0.00 0.00 176.35 175.33 1ujs n PRO 36 N 3.95 -1.76 -0.38 1.29 -0.04 -1.26 -4.96 135.00 131.84 1ujs n PRO 36 Ca 0.14 -0.60 0.11 0.00 -0.04 0.00 0.00 63.50 63.11 1ujs n PRO 36 Cb 0.38 -0.56 0.30 0.00 -0.04 0.00 0.00 33.50 33.58 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 -2.66 2.89 -0.09 0.54 2.85 -1.26 -4.15 118.16 116.27 1ujs n LYS 37 Ca 0.05 -2.62 0.06 0.00 -1.05 0.00 0.00 58.31 54.76 1ujs n LYS 37 Cb 0.20 -1.57 0.09 0.00 -0.65 0.00 0.00 35.03 33.09 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 1.41 1.94 -4.83 -5.58 2.03 -1.26 -5.04 116.55 105.21 1ujs n ASP 38 Ca 0.23 -2.63 -0.29 0.00 0.52 0.00 0.00 54.79 52.61 1ujs n ASP 38 Cb 0.63 -0.28 -0.05 0.00 -0.72 0.00 0.00 41.12 40.70 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 -2.02 4.82 -0.37 5.18 -7.23 -1.26 -4.51 120.40 115.01 1ujs s VAL 39 Ca 0.20 -0.71 -0.10 0.00 -1.81 0.00 0.00 61.98 59.56 1ujs s VAL 39 Cb 0.17 -3.37 0.04 0.00 0.56 0.00 0.00 36.38 33.78 1ujs s VAL 39 CO 0.02 0.07 0.19 -1.81 -0.31 0.00 0.00 175.10 173.26 1ujs s ASP 40 N -2.62 5.64 0.46 4.85 1.11 -1.26 -4.94 116.67 119.92 1ujs s ASP 40 Ca 0.32 -1.09 0.18 0.00 0.18 0.00 0.00 52.55 52.14 1ujs s ASP 40 Cb -0.12 -1.99 0.98 0.00 1.07 0.00 0.00 42.92 42.87 1ujs s ASP 40 CO 0.24 -0.39 1.49 0.03 1.18 0.00 0.00 175.17 177.72 1ujs h ARG 41 N 8.39 0.00 0.00 8.23 2.47 -1.94 1.47 114.38 133.00 1ujs h ARG 41 Ca -0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1ujs h ARG 41 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1ujs h ARG 41 CO 0.67 0.00 -1.70 0.25 0.56 0.00 0.00 179.97 179.75 1ujs n THR 42 N -2.37 0.00 -1.64 2.04 -2.24 -1.26 -3.39 114.28 105.43 1ujs n THR 42 Ca -0.01 -0.37 0.06 0.00 -2.27 0.00 0.00 64.05 61.46 1ujs n THR 42 Cb 0.39 0.23 0.13 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.03 1.03 -0.29 -0.78 5.12 0.31 -4.81 116.66 115.20 1ujs n ARG 43 Ca -0.02 -2.58 0.06 0.00 -1.93 0.00 0.00 57.85 53.37 1ujs n ARG 43 Cb 0.46 -1.17 0.20 0.00 -1.16 0.00 0.00 32.46 30.79 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 0.57 0.57 -1.56 0.55 3.38 0.13 0.59 115.31 119.54 1ujs h LEU 44 Ca -0.04 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1ujs h LEU 44 Cb 1.20 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1ujs h LEU 44 CO 0.02 0.27 0.39 1.05 0.09 0.00 0.00 178.44 180.26 1ujs h GLU 45 N 0.67 0.52 0.00 1.13 4.11 -1.85 0.72 114.58 119.89 1ujs h GLU 45 Ca 0.44 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.82 1ujs h GLU 45 Cb 0.55 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1ujs h GLU 45 CO -0.32 0.35 -0.06 0.00 0.07 0.00 0.00 179.01 179.04 1ujs h ARG 46 N 0.54 0.00 0.00 1.06 3.08 -1.25 -1.07 114.38 116.73 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 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1ujs h ARG 46 CO -0.07 0.06 0.00 0.72 -1.07 0.00 0.00 179.97 179.61 1ujs n HIS 47 N -3.35 0.00 -3.40 3.04 8.25 0.25 -4.75 115.22 115.25 1ujs n HIS 47 Ca -0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 1ujs n HIS 47 Cb 0.22 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 31.11 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 4.25 0.33 2.41 1.43 -0.41 0.17 118.68 124.55 1ujs s LEU 48 Ca 0.36 0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 53.83 1ujs s LEU 48 Cb 0.20 -2.55 -0.11 0.00 0.03 0.00 0.00 46.19 43.76 1ujs s LEU 48 CO 0.40 0.03 1.44 -0.94 0.23 0.00 0.00 176.35 177.51 1ujs s SER 49 N 0.62 6.53 0.57 2.29 1.04 -1.26 -4.27 113.70 119.22 1ujs s SER 49 Ca 0.22 2.86 0.28 0.00 0.48 0.00 0.00 55.95 59.78 1ujs s SER 49 Cb -0.14 -2.65 0.95 0.00 0.10 0.00 0.00 66.02 64.28 1ujs s SER 49 CO 0.08 -0.75 1.26 0.00 0.98 0.00 0.00 173.24 174.80 1ujs n GLN 50 N 1.17 0.01 -0.01 4.02 6.02 -1.26 0.19 117.38 127.52 1ujs n GLN 50 Ca 0.03 0.98 -0.16 0.00 -0.01 0.00 0.00 57.00 57.83 1ujs n GLN 50 Cb 0.40 -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 0.27 0.00 -1.09 4.39 -1.97 -3.29 114.58 112.89 1ujs h GLU 51 Ca 0.52 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.88 1ujs h GLU 51 Cb 2.88 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 31.61 1ujs h GLU 51 CO -0.01 0.99 -0.31 0.93 -1.16 0.00 0.00 179.01 179.46 1ujs h GLU 52 N -0.33 0.00 -1.61 2.33 4.39 0.17 -3.19 114.58 116.34 1ujs h GLU 52 Ca -0.05 0.00 0.48 0.00 0.34 0.00 0.00 59.36 60.14 1ujs h GLU 52 Cb 1.13 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.69 1ujs h GLU 52 CO 0.08 0.68 1.13 0.34 -1.16 0.00 0.00 179.01 180.08 1ujs n PHE 53 N -4.61 0.17 0.09 4.33 -0.00 0.13 0.24 117.46 117.81 1ujs n PHE 53 Ca -0.12 0.17 -0.24 0.00 -0.00 0.00 0.00 57.45 57.27 1ujs n PHE 53 Cb 0.39 -0.60 -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 0.79 0.00 -5.13 5.03 -1.62 -2.42 116.97 113.63 1ujs h TYR 54 Ca 0.82 -0.58 0.00 0.00 2.58 0.00 0.00 58.73 61.55 1ujs h TYR 54 Cb 3.12 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.37 1ujs h TYR 54 CO -0.00 1.64 0.00 1.96 -1.32 0.00 0.00 178.16 180.44 1ujs h GLN 55 N 0.10 0.00 0.00 1.82 4.20 0.30 1.94 115.11 123.47 1ujs h GLN 55 Ca -0.32 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.26 1ujs h GLN 55 Cb 2.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.87 1ujs h GLN 55 CO 0.20 0.00 -1.33 0.28 -0.67 0.00 0.00 178.83 177.31 1ujs n VAL 56 N -2.49 1.50 0.07 -0.54 0.31 -0.23 -4.65 118.33 112.30 1ujs n VAL 56 Ca -0.00 0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.19 1ujs n VAL 56 Cb 0.14 -2.22 -0.14 0.00 -0.91 0.00 0.00 33.84 30.72 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 0.37 0.00 3.52 -1.00 -1.42 -3.49 116.94 113.93 1ujs h PHE 57 Ca -0.20 -0.27 0.00 0.00 2.81 0.00 0.00 57.97 60.30 1ujs h PHE 57 Cb 1.10 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.64 1ujs h PHE 57 CO -0.27 1.27 0.00 0.41 -1.61 0.00 0.00 178.31 178.11 1ujs n GLY 58 N 1.57 1.37 3.85 -1.45 0.00 0.66 -5.04 105.19 106.15 1ujs n GLY 58 Ca -0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.65 1.59 -0.04 1.61 0.23 -1.19 -4.99 119.30 115.87 1ujs s MET 59 Ca 0.00 -1.02 -0.08 0.00 -1.03 0.00 0.00 55.69 53.56 1ujs s MET 59 Cb 0.00 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 33.71 1ujs s MET 59 CO 0.00 -0.75 0.25 0.95 -2.03 0.00 0.00 175.02 173.44 1ujs s THR 60 N -2.31 5.32 0.48 3.16 -4.23 -1.26 -3.25 115.64 113.55 1ujs s THR 60 Ca 0.19 0.32 0.36 0.00 -1.18 0.00 0.00 61.69 61.38 1ujs s THR 60 Cb -0.03 -3.54 0.56 0.00 1.34 0.00 0.00 72.50 70.83 1ujs s THR 60 CO 0.07 0.50 1.61 -0.29 -0.54 0.00 0.00 174.62 175.97 1ujs h ILE 61 N 3.50 0.08 -0.86 2.99 6.09 -1.92 1.24 117.51 128.63 1ujs h ILE 61 Ca -0.52 -0.01 -0.01 0.00 -1.37 0.00 0.00 64.86 62.94 1ujs h ILE 61 Cb 1.21 0.04 -0.04 0.00 0.47 0.00 0.00 36.82 38.50 1ujs h ILE 61 CO 0.62 0.01 0.49 0.28 -3.07 0.00 0.00 178.15 176.48 1ujs h SER 62 N 0.04 1.05 0.61 2.19 0.02 -2.00 -1.39 113.55 114.08 1ujs h SER 62 Ca 0.85 -0.09 -0.28 0.00 -0.84 0.00 0.00 61.79 61.44 1ujs h SER 62 Cb 2.93 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 65.20 1ujs h SER 62 CO -0.30 0.83 -1.32 -0.33 -1.14 0.00 0.00 176.83 174.58 1ujs h GLU 63 N 1.19 0.23 -0.23 3.45 5.08 0.11 -3.31 114.58 121.09 1ujs h GLU 63 Ca 0.30 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ujs h GLU 63 Cb -0.00 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1ujs h GLU 63 CO -0.05 1.14 0.13 0.35 -1.00 0.00 0.00 179.01 179.59 1ujs h PHE 64 N 0.06 0.25 0.00 4.33 3.57 -0.77 -0.94 116.94 123.44 1ujs h PHE 64 Ca -0.16 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1ujs h PHE 64 Cb 1.97 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.62 1ujs h PHE 64 CO 0.05 0.15 0.00 0.22 -2.23 0.00 0.00 178.31 176.51 1ujs h ASP 65 N 0.28 0.00 -0.09 0.41 3.58 -1.38 0.12 116.42 119.34 1ujs h ASP 65 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1ujs h ASP 65 Cb -0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1ujs h ASP 65 CO -0.04 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.86 1ujs n ARG 66 N -2.56 1.65 -2.19 0.28 1.74 -0.37 -4.90 116.66 110.31 1ujs n ARG 66 Ca -0.01 -0.97 -0.27 0.00 -0.77 0.00 0.00 57.85 55.83 1ujs n ARG 66 Cb 0.08 -1.43 0.15 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.76 2.81 0.13 0.55 1.43 0.42 -5.06 118.68 117.21 1ujs s LEU 67 Ca 0.35 0.07 -0.24 0.00 -1.03 0.00 0.00 54.13 53.27 1ujs s LEU 67 Cb 0.19 -2.28 -0.07 0.00 0.03 0.00 0.00 46.19 44.06 1ujs s LEU 67 CO 0.29 -2.30 0.75 0.00 0.23 0.00 0.00 176.35 175.32 1ujs s ALA 68 N -3.56 3.45 0.21 4.21 0.00 -1.26 -4.81 121.76 120.00 1ujs s ALA 68 Ca 0.70 0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.88 1ujs s ALA 68 Cb -0.05 -2.92 0.32 0.00 0.00 0.00 0.00 23.12 20.46 1ujs s ALA 68 CO 0.49 0.27 1.21 -0.11 0.00 0.00 0.00 175.76 177.62 1ujs n LEU 69 N 1.81 -0.33 -0.33 0.00 -0.00 -1.26 0.23 117.00 117.13 1ujs n LEU 69 Ca -0.06 1.34 -0.02 0.00 -0.00 0.00 0.00 56.01 57.28 1ujs n LEU 69 Cb 0.49 -0.38 0.11 0.00 -0.00 0.00 0.00 43.42 43.64 1ujs n LEU 69 CO 0.46 -1.27 1.24 4.11 -0.00 0.00 0.00 177.39 181.93 1ujs h TRP 70 N 0.00 1.10 -0.21 1.96 5.08 -1.97 0.35 115.95 122.25 1ujs h TRP 70 Ca 0.35 0.03 -0.05 0.00 1.08 0.00 0.00 58.89 60.29 1ujs h TRP 70 Cb 0.54 -0.37 -0.01 0.00 -3.00 0.00 0.00 29.16 26.33 1ujs h TRP 70 CO -0.62 0.65 -0.07 -0.22 -1.28 0.00 0.00 178.44 176.90 1ujs h LYS 71 N 1.15 0.42 0.00 0.12 1.63 0.26 0.84 116.57 120.99 1ujs h LYS 71 Ca 0.35 -0.17 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 1ujs h LYS 71 Cb -0.05 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1ujs h LYS 71 CO -0.10 0.69 -0.16 0.00 -3.45 0.00 0.00 179.45 176.42 1ujs h ARG 72 N 0.14 0.00 0.00 1.90 3.08 -0.10 0.45 114.38 119.85 1ujs h ARG 72 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 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 0.03 0.16 -1.46 0.09 -1.07 0.00 0.00 179.97 177.72 1ujs n ASN 73 N -4.01 0.43 0.05 7.04 3.02 0.08 -3.89 115.26 117.98 1ujs n ASN 73 Ca -0.02 0.08 -0.21 0.00 -0.03 0.00 0.00 54.58 54.39 1ujs n ASN 73 Cb 0.25 1.22 -0.15 0.00 -0.61 0.00 0.00 39.78 40.49 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 0.32 0.49 3.52 4.81 0.13 -3.26 114.58 120.60 1ujs h GLU 74 Ca 0.00 -0.55 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 1ujs h GLU 74 Cb 0.95 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1ujs h GLU 74 CO 0.00 1.26 -0.23 -0.07 -0.73 0.00 0.00 179.01 179.24 1ujs h LEU 75 N -0.24 -0.55 -1.04 1.64 3.38 -1.12 -2.65 115.31 114.74 1ujs h LEU 75 Ca -0.24 0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.97 1ujs h LEU 75 Cb 1.80 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 42.58 1ujs h LEU 75 CO 0.14 -0.37 0.61 0.11 0.09 0.00 0.00 178.44 179.01 1ujs h LYS 76 N -0.69 0.60 -0.36 1.13 1.57 -1.73 0.49 116.57 117.58 1ujs h LYS 76 Ca -0.07 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1ujs h LYS 76 Cb 0.52 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1ujs h LYS 76 CO 0.11 0.40 0.12 0.87 -0.57 0.00 0.00 179.45 180.37 1ujs h LYS 77 N 0.62 0.51 0.00 3.15 1.57 -1.52 0.27 116.57 121.16 1ujs h LYS 77 Ca 0.62 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1ujs h LYS 77 Cb 1.16 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1ujs h LYS 77 CO -0.44 0.45 -0.40 1.96 -0.57 0.00 0.00 179.45 180.45 1ujs h GLN 78 N 0.50 0.00 -0.73 3.15 4.20 0.19 -3.23 115.11 119.19 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 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 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 2.52 -2.70 3.87 0.00 0.15 -4.93 120.51 117.38 1ujs n ALA 79 Ca 0.03 -1.37 -0.19 0.00 0.00 0.00 0.00 53.44 51.91 1ujs n ALA 79 Cb 0.51 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 1.58 -2.90 -0.10 0.00 1.74 -0.45 -4.74 116.66 111.80 1ujs n ARG 80 Ca 0.25 0.80 0.05 0.00 -0.77 0.00 0.00 57.85 58.18 1ujs n ARG 80 Cb 0.68 -5.51 0.09 0.00 -1.02 0.00 0.00 32.46 26.70 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 2.46 -4.19 0.55 4.77 0.81 0.26 117.00 118.34 1ujs n LEU 81 Ca -0.15 -2.39 -0.29 0.00 -0.03 0.00 0.00 56.01 53.14 1ujs n LEU 81 Cb 0.63 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 1ujs n LEU 81 CO 0.33 0.61 -0.53 0.12 -1.33 0.00 0.00 177.39 176.59 1ujs s PHE 82 N -1.69 2.13 -0.43 -1.77 2.19 -1.08 -4.44 117.98 112.91 1ujs s PHE 82 Ca 0.17 -0.70 0.02 0.00 0.33 0.00 0.00 56.93 56.75 1ujs s PHE 82 Cb 0.13 -1.43 0.15 0.00 -1.31 0.00 0.00 43.02 40.56 1ujs s PHE 82 CO 0.05 -0.25 0.29 0.45 1.83 0.00 0.00 175.22 177.58 1ujs s SER 83 N 0.09 2.88 -0.91 6.13 0.15 -1.22 -4.80 113.70 116.02 1ujs s SER 83 Ca -0.08 -2.74 -0.28 0.00 0.70 0.00 0.00 55.95 53.54 1ujs s SER 83 Cb -0.14 -0.72 -0.20 0.00 -1.71 0.00 0.00 66.02 63.25 1ujs s SER 83 CO 0.04 -0.23 2.46 0.61 1.20 0.00 0.00 173.24 177.32 1ujs n GLY 84 N 3.33 -0.44 0.00 9.45 0.00 -1.26 -4.70 105.19 111.57 1ujs n GLY 84 Ca 0.17 1.06 0.06 0.00 0.00 0.00 0.00 46.02 47.31 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 7.75 0.49 -5.17 1.61 -0.04 -1.26 -4.65 135.00 133.73 1ujs n PRO 85 Ca 0.60 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.75 1ujs n PRO 85 Cb 0.03 -1.40 -0.16 0.00 -0.04 0.00 0.00 33.50 31.93 1ujs n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujs s SER 86 N -1.91 3.31 0.00 3.54 0.15 -1.26 -5.01 113.70 112.53 1ujs s SER 86 Ca 0.19 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1ujs s SER 86 Cb 0.09 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 1ujs s SER 86 CO 0.15 0.28 0.00 -0.24 1.20 0.00 0.00 173.24 174.63 1ujs n SER 87 N 2.72 0.35 0.00 5.45 2.88 -1.26 -5.21 113.62 118.55 1ujs n SER 87 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1ujs n SER 87 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1ujs n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42