#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 3.49 -4.71 1.61 3.41 -1.26 -5.00 113.62 111.16 1ujs n SER 2 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1ujs n SER 2 Cb 0.00 0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 64.84 1ujs n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ujs s SER 3 N -3.35 6.77 0.00 4.04 0.01 -1.26 -4.99 113.70 114.92 1ujs s SER 3 Ca -0.03 2.35 0.00 0.00 1.31 0.00 0.00 55.95 59.59 1ujs s SER 3 Cb 0.03 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1ujs s SER 3 CO 0.26 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1ujs n GLY 4 N 3.62 0.53 2.49 3.44 0.00 -1.26 -4.90 105.19 109.10 1ujs n GLY 4 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1ujs n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujs n SER 5 N 0.00 6.55 -4.45 1.61 7.64 -1.26 -4.90 113.62 118.81 1ujs n SER 5 Ca 0.00 -3.20 -0.39 0.00 1.01 0.00 0.00 58.87 56.30 1ujs n SER 5 Cb 0.00 -1.24 -0.11 0.00 -1.01 0.00 0.00 64.21 61.84 1ujs n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujs s SER 6 N 0.37 5.63 0.00 6.43 0.15 -1.26 -4.98 113.70 120.04 1ujs s SER 6 Ca 0.59 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1ujs s SER 6 Cb 0.37 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 1ujs s SER 6 CO -0.21 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1ujs n GLY 7 N 5.00 -2.07 3.54 9.45 0.00 -1.26 -4.81 105.19 115.04 1ujs n GLY 7 Ca -0.14 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1ujs n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ujs s ASN 8 N -4.20 6.42 -0.29 1.61 2.47 -1.26 -4.98 114.94 114.71 1ujs s ASN 8 Ca 0.00 -0.12 -0.17 0.00 0.42 0.00 0.00 52.86 52.99 1ujs s ASN 8 Cb 0.00 -2.42 0.13 0.00 -1.45 0.00 0.00 41.25 37.51 1ujs s ASN 8 CO 0.00 -1.04 0.92 0.00 -3.72 0.00 0.00 177.10 173.26 1ujs s ALA 9 N 3.59 -2.14 0.06 1.71 0.00 -1.26 -4.66 121.76 119.05 1ujs s ALA 9 Ca 0.32 2.20 -0.25 0.00 0.00 0.00 0.00 51.96 54.23 1ujs s ALA 9 Cb -0.12 -1.61 -0.14 0.00 0.00 0.00 0.00 23.12 21.26 1ujs s ALA 9 CO 0.23 -0.34 0.61 1.33 0.00 0.00 0.00 175.76 177.59 1ujs n VAL 10 N 3.60 0.62 -0.80 0.00 0.24 -1.26 -4.81 118.33 115.93 1ujs n VAL 10 Ca -0.18 -0.15 -0.15 0.00 -2.04 0.00 0.00 64.34 61.82 1ujs n VAL 10 Cb 0.58 0.00 0.19 0.00 -1.47 0.00 0.00 33.84 33.13 1ujs n VAL 10 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1ujs n ASN 11 N 1.24 3.88 -4.68 -1.34 4.05 -1.26 -4.63 115.26 112.52 1ujs n ASN 11 Ca 0.14 -3.23 -0.47 0.00 0.45 0.00 0.00 54.58 51.47 1ujs n ASN 11 Cb 0.11 -0.76 -0.04 0.00 1.23 0.00 0.00 39.78 40.32 1ujs n ASN 11 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 1ujs n TRP 12 N -0.60 2.34 0.12 1.20 7.02 -1.26 -4.89 117.44 121.36 1ujs n TRP 12 Ca 0.45 0.04 -0.14 0.00 -1.02 0.00 0.00 57.50 56.84 1ujs n TRP 12 Cb 1.39 -2.64 -0.08 0.00 -2.42 0.00 0.00 31.31 27.56 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 8.33 -0.26 -0.10 6.99 0.00 -2.03 -3.29 103.07 112.71 1ujs h GLY 13 Ca -0.47 0.10 0.01 0.00 0.00 0.00 0.00 47.33 46.96 1ujs h GLY 13 CO 0.93 -0.10 -0.10 -0.33 0.00 0.00 0.00 176.54 176.95 1ujs h MET 14 N -0.36 -0.05 -4.82 4.80 2.86 -2.03 -3.45 114.93 111.88 1ujs h MET 14 Ca -0.03 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.23 1ujs h MET 14 Cb 0.28 0.01 -0.14 0.00 0.06 0.00 0.00 31.60 31.81 1ujs h MET 14 CO 0.04 -0.03 -0.56 1.03 1.06 0.00 0.00 176.91 178.45 1ujs s ARG 15 N -3.46 1.54 -0.33 1.72 1.81 -1.24 -5.14 118.95 113.86 1ujs s ARG 15 Ca -0.02 -1.87 -0.04 0.00 -1.72 0.00 0.00 55.73 52.08 1ujs s ARG 15 Cb 0.02 0.06 0.05 0.00 -0.45 0.00 0.00 34.95 34.63 1ujs s ARG 15 CO 0.11 -0.48 0.06 -2.00 -0.68 0.00 0.00 175.30 172.32 1ujs s GLU 16 N -3.82 2.46 -0.51 3.54 2.12 -1.26 -4.19 118.70 117.04 1ujs s GLU 16 Ca 0.37 -1.29 -0.15 0.00 0.36 0.00 0.00 54.97 54.26 1ujs s GLU 16 Cb 0.05 -3.34 0.11 0.00 0.26 0.00 0.00 34.13 31.21 1ujs s GLU 16 CO 0.18 -0.69 0.45 0.71 -0.54 0.00 0.00 175.26 175.38 1ujs s TYR 17 N 1.30 3.26 0.35 5.30 2.02 -1.26 -5.04 117.35 123.28 1ujs s TYR 17 Ca -0.02 -1.22 -0.26 0.00 -0.37 0.00 0.00 57.07 55.20 1ujs s TYR 17 Cb -0.20 -3.56 -0.12 0.00 -0.40 0.00 0.00 41.96 37.67 1ujs s TYR 17 CO 0.00 -0.94 1.03 1.17 -1.57 0.00 0.00 175.55 175.23 1ujs n LYS 18 N 5.21 1.42 -2.07 -0.62 4.81 -1.26 -4.22 118.16 121.43 1ujs n LYS 18 Ca -0.13 0.50 -0.43 0.00 -0.87 0.00 0.00 58.31 57.38 1ujs n LYS 18 Cb 0.41 -1.97 -0.03 0.00 0.02 0.00 0.00 35.03 33.47 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 -1.17 3.56 0.09 3.15 -1.09 -1.26 -4.69 121.20 119.80 1ujs s ILE 19 Ca 0.60 0.57 0.10 0.00 -2.23 0.00 0.00 60.65 59.69 1ujs s ILE 19 Cb -0.62 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 1ujs s ILE 19 CO 0.59 -0.48 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.26 1ujs s TYR 20 N 6.58 2.36 0.39 3.97 2.02 0.11 -5.00 117.35 127.77 1ujs s TYR 20 Ca 0.76 -0.37 -0.26 0.00 -0.37 0.00 0.00 57.07 56.83 1ujs s TYR 20 Cb -0.21 -1.33 -0.09 0.00 -0.40 0.00 0.00 41.96 39.94 1ujs s TYR 20 CO 0.33 0.26 1.20 -1.25 -1.57 0.00 0.00 175.55 174.52 1ujs s PRO 21 N -1.72 4.11 0.24 -1.71 0.04 -1.26 -4.16 135.00 130.54 1ujs s PRO 21 Ca 0.14 1.92 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 1ujs s PRO 21 Cb -0.10 -2.76 0.44 0.00 0.04 0.00 0.00 34.50 32.11 1ujs s PRO 21 CO 0.05 -0.29 1.72 -0.92 0.04 0.00 0.00 177.00 177.60 1ujs h TYR 22 N 2.80 0.44 -0.27 0.56 5.03 -1.93 0.21 116.97 123.81 1ujs h TYR 22 Ca -0.49 0.04 0.03 0.00 2.58 0.00 0.00 58.73 60.89 1ujs h TYR 22 Cb 1.23 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 39.38 1ujs h TYR 22 CO 0.55 0.03 -0.27 1.05 -1.32 0.00 0.00 178.16 178.21 1ujs h GLU 23 N 0.40 -0.13 0.00 1.82 4.11 -1.99 0.16 114.58 118.95 1ujs h GLU 23 Ca 0.40 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.82 1ujs h GLU 23 Cb 0.61 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ujs h GLU 23 CO -0.41 -0.09 -0.10 1.37 0.07 0.00 0.00 179.01 179.85 1ujs h LEU 24 N -0.14 0.00 -0.39 3.06 8.10 -1.82 -2.27 115.31 121.86 1ujs h LEU 24 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.03 1ujs h LEU 24 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 1ujs h LEU 24 CO -0.32 0.10 0.00 0.18 -4.11 0.00 0.00 178.44 174.28 1ujs n LEU 25 N -3.27 0.55 -4.71 0.17 4.77 0.70 -2.84 117.00 112.37 1ujs n LEU 25 Ca -0.00 -0.28 -0.29 0.00 -0.03 0.00 0.00 56.01 55.41 1ujs n LEU 25 Cb 0.33 -0.09 0.16 0.00 -2.33 0.00 0.00 43.42 41.49 1ujs n LEU 25 CO 0.29 0.13 0.66 -0.76 -1.33 0.00 0.00 177.39 176.39 1ujs s LEU 26 N -0.96 1.85 -0.07 2.23 1.43 0.01 -4.58 118.68 118.58 1ujs s LEU 26 Ca 0.06 1.19 0.22 0.00 -1.03 0.00 0.00 54.13 54.58 1ujs s LEU 26 Cb 0.03 -3.47 0.43 0.00 0.03 0.00 0.00 46.19 43.22 1ujs s LEU 26 CO 0.04 -2.87 1.18 0.55 0.23 0.00 0.00 176.35 175.48 1ujs n VAL 27 N -4.00 0.64 -1.63 -1.59 3.14 0.68 -4.75 118.33 110.81 1ujs n VAL 27 Ca 0.06 -1.71 -0.64 0.00 -2.96 0.00 0.00 64.34 59.09 1ujs n VAL 27 Cb 0.57 0.69 -0.10 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 0.03 0.05 0.32 1.55 -2.24 -1.26 -4.74 114.28 107.99 1ujs n THR 28 Ca 0.10 -0.02 0.18 0.00 -2.27 0.00 0.00 64.05 62.04 1ujs n THR 28 Cb 1.02 -0.65 0.96 0.00 -2.10 0.00 0.00 70.33 69.56 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 5.51 0.00 0.00 4.28 2.02 -1.98 -3.32 112.91 119.42 1ujs h THR 29 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1ujs h THR 29 Cb 1.37 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1ujs h THR 29 CO 1.00 0.00 -0.15 0.54 0.37 0.00 0.00 175.52 177.28 1ujs n ARG 30 N -2.89 0.00 -0.94 6.66 1.74 -1.26 -5.09 116.66 114.88 1ujs n ARG 30 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 1ujs n ARG 30 Cb 0.23 -0.30 -0.00 0.00 -1.02 0.00 0.00 32.46 31.36 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 2.64 -2.02 3.50 -0.13 0.00 -1.25 -4.65 105.19 103.29 1ujs n GLY 31 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 0.98 2.17 -1.10 1.61 1.85 -1.26 -4.69 116.66 116.21 1ujs n ARG 32 Ca 0.08 -2.69 -0.34 0.00 -1.00 0.00 0.00 57.85 53.90 1ujs n ARG 32 Cb 0.29 -3.57 0.11 0.00 -1.05 0.00 0.00 32.46 28.25 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 11.52 -0.03 -0.90 2.89 0.23 -1.26 -4.95 115.26 122.76 1ujs n ASN 33 Ca 0.47 0.55 0.01 0.00 -0.53 0.00 0.00 54.58 55.08 1ujs n ASN 33 Cb 0.46 -1.39 0.17 0.00 -2.08 0.00 0.00 39.78 36.94 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 -2.35 1.80 -1.68 -3.83 0.00 -1.26 -5.06 116.66 104.28 1ujs n ARG 34 Ca 0.12 -3.36 -0.45 0.00 -0.00 0.00 0.00 57.85 54.15 1ujs n ARG 34 Cb 0.51 -1.62 -0.04 0.00 0.00 0.00 0.00 32.46 31.31 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 -0.95 3.38 0.00 6.15 4.77 -1.13 -4.85 117.00 124.37 1ujs n LEU 35 Ca 0.22 1.06 -0.16 0.00 -0.03 0.00 0.00 56.01 57.10 1ujs n LEU 35 Cb 0.76 -1.46 0.13 0.00 -2.33 0.00 0.00 43.42 40.52 1ujs n LEU 35 CO 0.03 -0.14 0.32 -0.81 -1.33 0.00 0.00 177.39 175.46 1ujs n PRO 36 N 3.98 -2.15 -0.59 3.23 -0.04 -1.26 -4.96 135.00 133.21 1ujs n PRO 36 Ca 0.17 -0.92 0.10 0.00 -0.04 0.00 0.00 63.50 62.81 1ujs n PRO 36 Cb 0.31 -0.86 0.35 0.00 -0.04 0.00 0.00 33.50 33.26 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 -3.27 3.65 -0.14 0.54 2.85 -1.26 -4.11 118.16 116.42 1ujs n LYS 37 Ca 0.08 -2.87 0.04 0.00 -1.05 0.00 0.00 58.31 54.51 1ujs n LYS 37 Cb 0.31 -1.86 0.06 0.00 -0.65 0.00 0.00 35.03 32.89 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 1.13 1.45 -4.89 -5.58 2.03 -1.26 -5.06 116.55 104.37 1ujs n ASP 38 Ca 0.25 -2.31 -0.25 0.00 0.52 0.00 0.00 54.79 53.00 1ujs n ASP 38 Cb 0.87 -0.22 -0.04 0.00 -0.72 0.00 0.00 41.12 41.01 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 -1.42 4.99 -0.36 5.18 -7.23 -1.26 -4.52 120.40 115.79 1ujs s VAL 39 Ca 0.13 -0.89 -0.07 0.00 -1.81 0.00 0.00 61.98 59.34 1ujs s VAL 39 Cb 0.11 -3.58 0.05 0.00 0.56 0.00 0.00 36.38 33.52 1ujs s VAL 39 CO 0.01 -0.14 0.14 -0.62 -0.31 0.00 0.00 175.10 174.19 1ujs s ASP 40 N -3.30 5.40 0.36 4.85 2.15 -1.26 -4.94 116.67 119.93 1ujs s ASP 40 Ca 0.33 -1.23 0.15 0.00 0.43 0.00 0.00 52.55 52.23 1ujs s ASP 40 Cb -0.10 -1.90 0.81 0.00 -0.30 0.00 0.00 42.92 41.42 1ujs s ASP 40 CO 0.27 -0.38 1.36 0.03 -0.17 0.00 0.00 175.17 176.28 1ujs h ARG 41 N 8.26 0.00 0.00 4.34 -0.00 -1.96 1.37 114.38 126.40 1ujs h ARG 41 Ca -0.23 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.13 1ujs h ARG 41 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.03 1ujs h ARG 41 CO 0.64 0.00 -2.04 0.25 0.00 0.00 0.00 179.97 178.82 1ujs n THR 42 N -2.14 0.46 -1.80 2.04 -2.24 -1.26 -3.31 114.28 106.03 1ujs n THR 42 Ca -0.01 -0.57 0.06 0.00 -2.27 0.00 0.00 64.05 61.25 1ujs n THR 42 Cb 0.32 -0.16 0.17 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.37 1.23 -0.35 -0.78 5.12 0.22 -4.81 116.66 114.91 1ujs n ARG 43 Ca -0.13 -3.01 0.09 0.00 -1.93 0.00 0.00 57.85 52.87 1ujs n ARG 43 Cb 0.73 -1.26 0.27 0.00 -1.16 0.00 0.00 32.46 31.05 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 0.99 0.88 -1.56 0.55 3.38 0.12 0.11 115.31 119.79 1ujs h LEU 44 Ca -0.05 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ujs h LEU 44 Cb 1.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1ujs h LEU 44 CO 0.02 0.43 -0.06 1.05 0.09 0.00 0.00 178.44 179.97 1ujs h GLU 45 N 0.92 0.21 0.00 1.13 9.09 -1.85 -1.03 114.58 123.05 1ujs h GLU 45 Ca 0.52 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.89 1ujs h GLU 45 Cb 0.61 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.68 1ujs h GLU 45 CO -0.29 0.29 0.00 0.00 0.05 0.00 0.00 179.01 179.05 1ujs h ARG 46 N 0.20 0.00 -0.00 1.06 3.08 -1.15 -1.56 114.38 116.02 1ujs h ARG 46 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ujs h ARG 46 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1ujs h ARG 46 CO 0.01 0.00 -0.08 0.72 -1.07 0.00 0.00 179.97 179.55 1ujs n HIS 47 N -2.46 0.00 -3.19 3.04 8.25 -0.39 -4.80 115.22 115.67 1ujs n HIS 47 Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 1ujs n HIS 47 Cb 0.20 -0.24 -0.05 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 -2.56 4.31 0.31 2.41 1.43 -0.59 0.09 118.68 124.09 1ujs s LEU 48 Ca 0.27 1.01 -0.29 0.00 -1.03 0.00 0.00 54.13 54.09 1ujs s LEU 48 Cb 0.20 -2.88 -0.11 0.00 0.03 0.00 0.00 46.19 43.43 1ujs s LEU 48 CO 0.48 -0.03 1.51 -0.44 0.23 0.00 0.00 176.35 178.10 1ujs s SER 49 N 0.57 6.45 0.56 2.29 0.01 -1.26 -4.27 113.70 118.05 1ujs s SER 49 Ca 0.31 2.90 0.29 0.00 1.31 0.00 0.00 55.95 60.76 1ujs s SER 49 Cb -0.17 -2.64 0.99 0.00 0.21 0.00 0.00 66.02 64.41 1ujs s SER 49 CO 0.14 -0.83 1.26 0.00 0.41 0.00 0.00 173.24 174.23 1ujs n GLN 50 N 1.56 0.01 -0.01 12.44 6.02 -1.26 0.21 117.38 136.35 1ujs n GLN 50 Ca 0.05 0.97 -0.17 0.00 -0.01 0.00 0.00 57.00 57.84 1ujs n GLN 50 Cb 0.39 -2.38 -0.11 0.00 1.02 0.00 0.00 30.24 29.16 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 0.34 0.00 -1.09 5.08 -1.98 -3.28 114.58 113.65 1ujs h GLU 51 Ca 0.54 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1ujs h GLU 51 Cb 2.90 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 32.24 1ujs h GLU 51 CO -0.01 1.05 -0.33 0.93 -1.00 0.00 0.00 179.01 179.65 1ujs h GLU 52 N -0.22 0.00 -1.59 2.33 5.08 0.20 -3.15 114.58 117.23 1ujs h GLU 52 Ca -0.06 0.00 0.50 0.00 -1.00 0.00 0.00 59.36 58.80 1ujs h GLU 52 Cb 1.22 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.36 1ujs h GLU 52 CO 0.10 0.76 1.09 0.34 -1.00 0.00 0.00 179.01 180.30 1ujs n PHE 53 N -4.60 0.35 0.10 4.33 -0.00 0.13 0.20 117.46 117.96 1ujs n PHE 53 Ca -0.13 0.35 -0.22 0.00 -0.00 0.00 0.00 57.45 57.45 1ujs n PHE 53 Cb 0.43 -0.80 -0.15 0.00 -0.00 0.00 0.00 39.48 38.96 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 0.75 0.00 -5.13 5.03 -1.61 -2.39 116.97 113.61 1ujs h TYR 54 Ca 0.87 -0.54 0.00 0.00 2.58 0.00 0.00 58.73 61.64 1ujs h TYR 54 Cb 3.15 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.40 1ujs h TYR 54 CO -0.00 1.58 0.00 1.96 -1.32 0.00 0.00 178.16 180.37 1ujs h GLN 55 N 0.11 0.00 0.00 1.82 4.20 0.23 1.78 115.11 123.26 1ujs h GLN 55 Ca -0.29 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.29 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 0.21 0.00 -1.32 0.28 -0.67 0.00 0.00 178.83 177.32 1ujs n VAL 56 N -2.46 1.50 0.07 -0.54 0.31 -0.12 -4.64 118.33 112.45 1ujs n VAL 56 Ca 0.00 0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 1ujs n VAL 56 Cb 0.15 -2.22 -0.13 0.00 -0.91 0.00 0.00 33.84 30.73 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 0.25 0.00 3.52 -1.00 -1.43 -3.48 116.94 113.80 1ujs h PHE 57 Ca -0.19 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 60.40 1ujs h PHE 57 Cb 1.10 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.65 1ujs h PHE 57 CO -0.29 1.17 0.00 0.41 -1.61 0.00 0.00 178.31 177.99 1ujs n GLY 58 N 1.49 1.21 3.81 -1.45 0.00 0.61 -5.04 105.19 105.81 1ujs n GLY 58 Ca -0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.82 1.50 0.02 1.61 0.23 -1.18 -4.99 119.30 115.67 1ujs s MET 59 Ca 0.00 -0.89 -0.14 0.00 -1.03 0.00 0.00 55.69 53.64 1ujs s MET 59 Cb 0.00 0.47 -0.06 0.00 -1.53 0.00 0.00 34.83 33.71 1ujs s MET 59 CO 0.00 -0.69 0.41 0.95 -2.03 0.00 0.00 175.02 173.66 1ujs s THR 60 N -3.00 5.04 0.35 3.16 -4.23 -1.26 -3.35 115.64 112.35 1ujs s THR 60 Ca 0.15 0.76 0.21 0.00 -1.18 0.00 0.00 61.69 61.63 1ujs s THR 60 Cb -0.03 -3.70 0.34 0.00 1.34 0.00 0.00 72.50 70.46 1ujs s THR 60 CO 0.05 0.52 1.48 0.00 -0.54 0.00 0.00 174.62 176.13 1ujs n ILE 61 N 1.62 -0.38 -0.29 2.99 0.13 -1.26 0.18 119.36 122.35 1ujs n ILE 61 Ca -0.13 1.89 -0.00 0.00 -1.10 0.00 0.00 62.75 63.41 1ujs n ILE 61 Cb 0.52 -3.07 0.13 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 0.76 0.60 9.51 0.87 -2.00 -0.61 113.55 122.69 1ujs h SER 62 Ca 0.80 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 61.13 1ujs h SER 62 Cb 2.16 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 1ujs h SER 62 CO -0.70 0.49 -1.14 -0.33 -0.53 0.00 0.00 176.83 174.62 1ujs h GLU 63 N 0.90 0.27 -0.02 2.24 4.39 0.15 -3.29 114.58 119.22 1ujs h GLU 63 Ca 0.35 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1ujs h GLU 63 Cb 0.16 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1ujs h GLU 63 CO -0.17 1.16 -0.00 0.35 -1.16 0.00 0.00 179.01 179.19 1ujs h PHE 64 N 0.10 -0.01 0.00 4.33 3.57 -0.41 -0.99 116.94 123.53 1ujs h PHE 64 Ca -0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1ujs h PHE 64 Cb 1.85 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.59 1ujs h PHE 64 CO 0.06 -0.01 0.00 -0.25 -2.23 0.00 0.00 178.31 175.88 1ujs n ASP 65 N -5.10 0.39 -0.72 0.41 9.92 -0.29 -0.41 116.55 120.75 1ujs n ASP 65 Ca -0.07 0.66 0.11 0.00 -0.53 0.00 0.00 54.79 54.97 1ujs n ASP 65 Cb 0.04 -0.72 0.33 0.00 -0.64 0.00 0.00 41.12 40.13 1ujs n ASP 65 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ujs n ARG 66 N -2.00 1.95 -2.35 -1.24 1.74 -0.38 -4.92 116.66 109.44 1ujs n ARG 66 Ca -0.00 -1.42 -0.26 0.00 -0.77 0.00 0.00 57.85 55.40 1ujs n ARG 66 Cb 0.06 -1.44 0.13 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.63 2.88 0.21 0.55 1.43 0.45 -5.06 118.68 117.51 1ujs s LEU 67 Ca 0.34 -0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 53.04 1ujs s LEU 67 Cb 0.19 -2.13 -0.09 0.00 0.03 0.00 0.00 46.19 44.19 1ujs s LEU 67 CO 0.29 -2.14 0.87 0.00 0.23 0.00 0.00 176.35 175.59 1ujs s ALA 68 N -3.39 3.39 0.25 4.21 0.00 -1.26 -4.81 121.76 120.15 1ujs s ALA 68 Ca 0.69 0.50 -0.08 0.00 0.00 0.00 0.00 51.96 53.07 1ujs s ALA 68 Cb -0.05 -3.09 0.41 0.00 0.00 0.00 0.00 23.12 20.39 1ujs s ALA 68 CO 0.47 0.25 1.42 -0.11 0.00 0.00 0.00 175.76 177.79 1ujs n LEU 69 N 1.51 -0.34 -0.37 0.00 -0.00 -1.26 0.19 117.00 116.73 1ujs n LEU 69 Ca -0.04 1.57 -0.01 0.00 -0.00 0.00 0.00 56.01 57.54 1ujs n LEU 69 Cb 0.48 -0.47 0.14 0.00 -0.00 0.00 0.00 43.42 43.57 1ujs n LEU 69 CO 0.48 -1.50 1.29 4.11 -0.00 0.00 0.00 177.39 181.77 1ujs h TRP 70 N 0.00 1.23 -0.19 1.96 5.08 -1.97 0.11 115.95 122.17 1ujs h TRP 70 Ca 0.43 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 60.36 1ujs h TRP 70 Cb 0.66 -0.41 -0.00 0.00 -3.00 0.00 0.00 29.16 26.40 1ujs h TRP 70 CO -0.71 0.74 -0.14 -0.22 -1.28 0.00 0.00 178.44 176.83 1ujs h LYS 71 N 1.30 0.44 0.00 0.12 1.63 0.17 0.74 116.57 120.97 1ujs h LYS 71 Ca 0.38 -0.21 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 1ujs h LYS 71 Cb -0.07 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1ujs h LYS 71 CO -0.10 0.76 -0.17 0.00 -3.45 0.00 0.00 179.45 176.49 1ujs h ARG 72 N 0.11 0.00 0.00 1.90 3.08 -0.07 0.14 114.38 119.54 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 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1ujs h ARG 72 CO 0.04 0.17 -1.39 0.09 -1.07 0.00 0.00 179.97 177.81 1ujs n ASN 73 N -4.16 0.48 0.04 7.04 3.02 -0.00 -3.87 115.26 117.80 1ujs n ASN 73 Ca -0.02 0.08 -0.22 0.00 -0.03 0.00 0.00 54.58 54.39 1ujs n ASN 73 Cb 0.25 1.12 -0.14 0.00 -0.61 0.00 0.00 39.78 40.40 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 0.31 0.41 3.52 4.81 0.11 -3.25 114.58 120.48 1ujs h GLU 74 Ca 0.00 -0.52 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1ujs h GLU 74 Cb 0.94 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1ujs h GLU 74 CO 0.00 1.25 -0.20 -0.07 -0.73 0.00 0.00 179.01 179.27 1ujs h LEU 75 N -0.21 -0.46 -0.98 1.64 3.38 -0.93 -2.57 115.31 115.18 1ujs h LEU 75 Ca -0.27 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.88 1ujs h LEU 75 Cb 1.83 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 42.59 1ujs h LEU 75 CO 0.12 -0.31 0.58 0.11 0.09 0.00 0.00 178.44 179.02 1ujs h LYS 76 N -0.57 0.71 -0.53 1.13 1.57 -1.74 0.25 116.57 117.39 1ujs h LYS 76 Ca -0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1ujs h LYS 76 Cb 0.43 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1ujs h LYS 76 CO 0.09 0.47 0.31 0.87 -0.57 0.00 0.00 179.45 180.62 1ujs h LYS 77 N 0.74 0.72 0.00 3.15 1.57 -1.52 0.29 116.57 121.51 1ujs h LYS 77 Ca 0.56 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1ujs h LYS 77 Cb 0.86 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1ujs h LYS 77 CO -0.38 0.52 -0.17 1.96 -0.57 0.00 0.00 179.45 180.80 1ujs h GLN 78 N 0.73 0.00 -0.61 3.15 4.20 -0.22 -3.19 115.11 119.17 1ujs h GLN 78 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 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 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.13 1ujs n ALA 79 N -2.08 2.94 -2.84 3.87 0.00 -0.05 -4.93 120.51 117.43 1ujs n ALA 79 Ca 0.03 -1.59 -0.17 0.00 0.00 0.00 0.00 53.44 51.71 1ujs n ALA 79 Cb 0.52 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 1.01 -2.94 -0.12 0.00 1.74 -0.30 -4.76 116.66 111.30 1ujs n ARG 80 Ca 0.24 0.59 0.04 0.00 -0.77 0.00 0.00 57.85 57.95 1ujs n ARG 80 Cb 0.83 -5.25 0.10 0.00 -1.02 0.00 0.00 32.46 27.11 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 -3.27 2.57 -4.46 0.55 4.77 0.86 0.25 117.00 118.27 1ujs n LEU 81 Ca -0.10 -2.22 -0.32 0.00 -0.03 0.00 0.00 56.01 53.35 1ujs n LEU 81 Cb 0.59 -0.19 -0.13 0.00 -2.33 0.00 0.00 43.42 41.36 1ujs n LEU 81 CO 0.33 0.63 -0.48 0.12 -1.33 0.00 0.00 177.39 176.66 1ujs s PHE 82 N -1.39 2.61 0.00 -1.77 2.19 -1.10 -4.33 117.98 114.20 1ujs s PHE 82 Ca 0.16 -0.22 0.00 0.00 0.33 0.00 0.00 56.93 57.20 1ujs s PHE 82 Cb 0.11 -1.55 0.00 0.00 -1.31 0.00 0.00 43.02 40.27 1ujs s PHE 82 CO 0.07 0.20 0.00 0.45 1.83 0.00 0.00 175.22 177.77 1ujs n SER 83 N 1.98 1.84 0.00 6.13 2.88 -1.21 -4.86 113.62 120.39 1ujs n SER 83 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1ujs n SER 83 Cb 0.52 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 2.31 2.54 3.68 0.46 0.00 -1.26 -5.01 105.19 107.91 1ujs n GLY 84 Ca 0.00 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -4.96 4.25 -1.06 1.61 0.04 -1.26 -4.84 135.00 128.77 1ujs s PRO 85 Ca 0.00 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 62.82 1ujs s PRO 85 Cb 0.00 -3.68 -0.06 0.00 0.04 0.00 0.00 34.50 30.80 1ujs s PRO 85 CO 0.00 -0.66 1.92 0.45 0.04 0.00 0.00 177.00 178.74 1ujs s SER 86 N 2.24 5.20 0.35 6.66 0.15 -1.26 -4.92 113.70 122.11 1ujs s SER 86 Ca 0.66 -1.26 0.07 0.00 0.70 0.00 0.00 55.95 56.12 1ujs s SER 86 Cb -0.32 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.39 1ujs s SER 86 CO 0.26 -2.81 0.32 -0.44 1.20 0.00 0.00 173.24 171.77 1ujs s SER 87 N 7.02 5.33 0.00 5.45 0.01 -1.26 -5.28 113.70 124.97 1ujs s SER 87 Ca 0.68 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1ujs s SER 87 Cb -0.03 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 65.25 1ujs s SER 87 CO 0.06 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.92