#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 1.64 -4.21 1.61 7.64 -1.26 -4.95 113.62 114.09 1ujs n SER 2 Ca 0.00 1.12 -0.12 0.00 1.01 0.00 0.00 58.87 60.87 1ujs n SER 2 Cb 0.00 -1.09 -0.10 0.00 -1.01 0.00 0.00 64.21 62.01 1ujs n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ujs s SER 3 N 2.00 0.71 0.00 6.43 1.04 -1.26 -5.09 113.70 117.53 1ujs s SER 3 Ca 0.94 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1ujs s SER 3 Cb -1.13 0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.22 1ujs s SER 3 CO 0.61 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1ujs n GLY 4 N -0.23 1.34 3.57 7.32 0.00 -1.26 -5.00 105.19 110.93 1ujs n GLY 4 Ca -0.04 -0.75 -0.50 0.00 0.00 0.00 0.00 46.02 44.73 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 2.71 -3.15 1.61 7.64 -1.26 -4.90 113.62 116.27 1ujs n SER 5 Ca 0.00 0.65 0.04 0.00 1.01 0.00 0.00 58.87 60.58 1ujs n SER 5 Cb 0.00 -1.31 -0.01 0.00 -1.01 0.00 0.00 64.21 61.88 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 5.92 -1.16 0.00 6.43 0.15 -1.26 -5.13 113.70 118.65 1ujs s SER 6 Ca 1.02 0.67 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1ujs s SER 6 Cb -0.78 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 1ujs s SER 6 CO 0.51 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1ujs n GLY 7 N 5.43 2.85 3.58 9.45 0.00 -1.26 -5.04 105.19 120.20 1ujs n GLY 7 Ca -0.02 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1ujs n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujs s ASN 8 N 0.00 6.16 -0.28 1.61 2.20 -1.26 -4.84 114.94 118.53 1ujs s ASN 8 Ca 0.00 -2.10 -0.20 0.00 -0.94 0.00 0.00 52.86 49.62 1ujs s ASN 8 Cb 0.00 -2.58 0.09 0.00 -2.00 0.00 0.00 41.25 36.76 1ujs s ASN 8 CO 0.00 -1.89 0.79 0.00 -2.94 0.00 0.00 177.10 173.06 1ujs s ALA 9 N 6.76 -1.91 0.09 3.54 0.00 -1.26 -4.59 121.76 124.39 1ujs s ALA 9 Ca 0.59 2.19 -0.22 0.00 0.00 0.00 0.00 51.96 54.52 1ujs s ALA 9 Cb 0.02 -1.39 -0.12 0.00 0.00 0.00 0.00 23.12 21.63 1ujs s ALA 9 CO 0.09 -0.34 0.50 1.33 0.00 0.00 0.00 175.76 177.34 1ujs n VAL 10 N 3.40 0.85 -0.21 0.00 0.24 -1.26 -4.75 118.33 116.61 1ujs n VAL 10 Ca -0.17 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 61.83 1ujs n VAL 10 Cb 0.57 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.98 1ujs n VAL 10 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ujs n ASN 11 N 1.24 4.59 -4.68 -1.34 4.13 -1.26 -4.76 115.26 113.18 1ujs n ASN 11 Ca 0.13 -2.67 -0.42 0.00 1.68 0.00 0.00 54.58 53.30 1ujs n ASN 11 Cb 0.13 -0.83 -0.03 0.00 -1.54 0.00 0.00 39.78 37.51 1ujs n ASN 11 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1ujs s TRP 12 N -1.12 3.11 0.03 3.10 0.23 -1.26 -4.94 118.94 118.09 1ujs s TRP 12 Ca 0.19 1.16 -0.18 0.00 -2.03 0.00 0.00 56.10 55.24 1ujs s TRP 12 Cb 0.16 -3.45 -0.24 0.00 0.03 0.00 0.00 33.47 29.97 1ujs s TRP 12 CO 0.02 -1.43 1.11 0.78 0.96 0.00 0.00 176.95 178.39 1ujs h GLY 13 N 8.50 0.57 0.22 0.98 0.00 -2.03 -3.34 103.07 107.97 1ujs h GLY 13 Ca -0.33 -1.04 0.05 0.00 0.00 0.00 0.00 47.33 46.02 1ujs h GLY 13 CO 0.90 0.91 -0.28 -0.33 0.00 0.00 0.00 176.54 177.75 1ujs h MET 14 N 0.06 -0.33 -4.15 4.80 2.86 -2.01 -3.45 114.93 112.70 1ujs h MET 14 Ca -0.11 0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.39 1ujs h MET 14 Cb 1.50 0.07 -0.12 0.00 0.06 0.00 0.00 31.60 33.12 1ujs h MET 14 CO 0.16 -0.22 -0.37 1.03 1.06 0.00 0.00 176.91 178.57 1ujs s ARG 15 N -6.04 1.41 -0.34 1.72 1.81 -1.25 -5.14 118.95 111.12 1ujs s ARG 15 Ca -0.15 -1.48 -0.03 0.00 -1.72 0.00 0.00 55.73 52.35 1ujs s ARG 15 Cb 0.11 0.37 0.07 0.00 -0.45 0.00 0.00 34.95 35.04 1ujs s ARG 15 CO 0.67 -0.53 0.07 -2.00 -0.68 0.00 0.00 175.30 172.82 1ujs s GLU 16 N -4.01 2.31 -0.54 3.54 2.12 -1.26 -4.32 118.70 116.54 1ujs s GLU 16 Ca 0.31 -1.43 -0.17 0.00 0.36 0.00 0.00 54.97 54.05 1ujs s GLU 16 Cb 0.03 -3.33 0.11 0.00 0.26 0.00 0.00 34.13 31.20 1ujs s GLU 16 CO 0.12 -0.76 0.54 0.71 -0.54 0.00 0.00 175.26 175.32 1ujs s TYR 17 N 1.23 3.18 0.33 5.30 2.02 -1.26 -5.04 117.35 123.11 1ujs s TYR 17 Ca -0.01 -1.11 -0.26 0.00 -0.37 0.00 0.00 57.07 55.32 1ujs s TYR 17 Cb -0.21 -3.73 -0.13 0.00 -0.40 0.00 0.00 41.96 37.49 1ujs s TYR 17 CO -0.02 -1.04 0.87 1.17 -1.57 0.00 0.00 175.55 174.96 1ujs n LYS 18 N 5.54 1.07 -2.24 -0.62 4.81 -1.26 -4.20 118.16 121.25 1ujs n LYS 18 Ca -0.12 0.38 -0.43 0.00 -0.87 0.00 0.00 58.31 57.27 1ujs n LYS 18 Cb 0.41 -1.73 -0.02 0.00 0.02 0.00 0.00 35.03 33.71 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 3.78 0.08 3.15 -1.09 -1.26 -4.66 121.20 120.04 1ujs s ILE 19 Ca 0.61 0.80 0.10 0.00 -2.23 0.00 0.00 60.65 59.93 1ujs s ILE 19 Cb -0.68 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.15 1ujs s ILE 19 CO 0.59 -0.63 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.10 1ujs s TYR 20 N 5.78 2.23 0.36 3.97 2.02 0.95 -5.01 117.35 127.64 1ujs s TYR 20 Ca 0.67 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.70 1ujs s TYR 20 Cb -0.17 -1.27 -0.09 0.00 -0.40 0.00 0.00 41.96 40.03 1ujs s TYR 20 CO 0.32 0.21 1.21 -1.25 -1.57 0.00 0.00 175.55 174.48 1ujs s PRO 21 N -1.61 4.25 0.23 -1.71 0.04 -1.26 -4.18 135.00 130.76 1ujs s PRO 21 Ca 0.12 1.97 -0.09 0.00 0.04 0.00 0.00 61.00 63.04 1ujs s PRO 21 Cb -0.10 -2.90 0.36 0.00 0.04 0.00 0.00 34.50 31.90 1ujs s PRO 21 CO 0.04 -0.19 1.66 -0.92 0.04 0.00 0.00 177.00 177.62 1ujs h TYR 22 N 3.09 -0.01 -0.17 0.56 3.20 -1.92 0.26 116.97 121.97 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 1.23 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.59 1ujs h TYR 22 CO 0.56 -0.18 -0.12 1.05 -1.64 0.00 0.00 178.16 177.83 1ujs h GLU 23 N 0.13 -0.02 0.00 1.82 4.11 -1.99 0.34 114.58 118.97 1ujs h GLU 23 Ca 0.36 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.78 1ujs h GLU 23 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ujs h GLU 23 CO -0.57 -0.01 -0.08 1.37 0.07 0.00 0.00 179.01 179.79 1ujs h LEU 24 N -0.02 0.00 -0.27 3.06 8.10 -1.77 -1.98 115.31 122.43 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 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.31 1ujs h LEU 24 CO -0.17 0.08 0.00 0.18 -4.11 0.00 0.00 178.44 174.41 1ujs n LEU 25 N -3.28 0.39 -4.73 0.17 4.77 0.94 -2.10 117.00 113.16 1ujs n LEU 25 Ca -0.01 -0.20 -0.29 0.00 -0.03 0.00 0.00 56.01 55.49 1ujs n LEU 25 Cb 0.29 -0.05 0.15 0.00 -2.33 0.00 0.00 43.42 41.47 1ujs n LEU 25 CO 0.28 0.10 0.67 -0.76 -1.33 0.00 0.00 177.39 176.35 1ujs s LEU 26 N -1.01 1.97 -0.19 2.23 1.43 0.22 -4.62 118.68 118.71 1ujs s LEU 26 Ca 0.05 1.21 0.17 0.00 -1.03 0.00 0.00 54.13 54.54 1ujs s LEU 26 Cb 0.03 -3.54 0.46 0.00 0.03 0.00 0.00 46.19 43.17 1ujs s LEU 26 CO 0.04 -2.73 1.17 0.55 0.23 0.00 0.00 176.35 175.61 1ujs n VAL 27 N -3.91 1.45 -1.46 -1.59 3.14 0.71 -4.67 118.33 111.98 1ujs n VAL 27 Ca 0.06 -2.80 -0.50 0.00 -2.96 0.00 0.00 64.34 58.14 1ujs n VAL 27 Cb 0.57 0.30 -0.07 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 -0.45 0.21 -0.02 1.55 -2.24 -1.26 -4.86 114.28 107.20 1ujs n THR 28 Ca 0.18 -0.28 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 1ujs n THR 28 Cb 0.91 -1.74 -0.05 0.00 -2.10 0.00 0.00 70.33 67.34 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 7.07 0.00 0.10 4.28 2.02 -1.97 -3.25 112.91 121.15 1ujs h THR 29 Ca -0.29 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.67 1ujs h THR 29 Cb 1.31 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1ujs h THR 29 CO 1.01 0.00 -1.09 0.08 0.37 0.00 0.00 175.52 175.89 1ujs h ARG 30 N -0.26 0.22 -6.38 6.66 0.11 -2.06 -3.48 114.38 109.19 1ujs h ARG 30 Ca 0.02 -0.37 -0.55 0.00 0.10 0.00 0.00 59.98 59.17 1ujs h ARG 30 Cb 0.32 0.14 0.21 0.00 1.11 0.00 0.00 29.97 31.75 1ujs h ARG 30 CO -0.23 1.18 -1.06 0.41 0.10 0.00 0.00 179.97 180.37 1ujs n GLY 31 N 1.68 -2.98 3.53 0.08 0.00 -1.23 -4.81 105.19 101.47 1ujs n GLY 31 Ca -0.21 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.53 3.75 0.73 1.61 0.52 -1.26 -4.74 118.95 117.03 1ujs s ARG 32 Ca 0.53 -1.63 -0.13 0.00 -0.52 0.00 0.00 55.73 53.97 1ujs s ARG 32 Cb -0.27 -5.28 0.04 0.00 0.52 0.00 0.00 34.95 29.96 1ujs s ARG 32 CO 0.70 -2.08 1.14 0.54 0.02 0.00 0.00 175.30 175.62 1ujs s ASN 33 N 4.28 4.46 -0.23 0.23 2.20 -1.26 -4.97 114.94 119.65 1ujs s ASN 33 Ca 0.45 2.08 0.11 0.00 -0.94 0.00 0.00 52.86 54.55 1ujs s ASN 33 Cb -0.00 -2.56 0.43 0.00 -2.00 0.00 0.00 41.25 37.13 1ujs s ASN 33 CO -0.04 -2.07 1.21 -1.14 -2.94 0.00 0.00 177.10 172.11 1ujs n ARG 34 N -2.97 2.14 -2.00 3.55 3.00 -1.25 -5.05 116.66 114.08 1ujs n ARG 34 Ca 0.11 -3.52 -0.42 0.00 -0.00 0.00 0.00 57.85 54.02 1ujs n ARG 34 Cb 0.52 -1.75 -0.03 0.00 0.00 0.00 0.00 32.46 31.20 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 -3.23 4.36 0.00 6.15 1.43 -0.89 -4.73 118.68 121.77 1ujs s LEU 35 Ca 0.42 2.46 -0.05 0.00 -1.03 0.00 0.00 54.13 55.93 1ujs s LEU 35 Cb 0.38 -3.58 0.07 0.00 0.03 0.00 0.00 46.19 43.09 1ujs s LEU 35 CO -0.04 -0.81 0.25 -0.81 0.23 0.00 0.00 176.35 175.17 1ujs n PRO 36 N 4.74 -1.51 0.00 1.29 -0.04 -1.26 -4.97 135.00 133.25 1ujs n PRO 36 Ca 0.14 -0.40 0.12 0.00 -0.04 0.00 0.00 63.50 63.32 1ujs n PRO 36 Cb 0.40 -0.37 0.06 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 -2.27 1.86 -0.51 0.54 -0.00 -1.26 -4.14 118.16 112.38 1ujs n LYS 37 Ca 0.03 -1.54 0.08 0.00 -0.00 0.00 0.00 58.31 56.89 1ujs n LYS 37 Cb 0.13 -1.46 0.28 0.00 -0.00 0.00 0.00 35.03 33.98 1ujs n LYS 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ujs n ASP 38 N 0.78 4.17 -4.77 -5.58 2.03 -1.26 -4.99 116.55 106.93 1ujs n ASP 38 Ca 0.12 -3.00 -0.27 0.00 0.52 0.00 0.00 54.79 52.17 1ujs n ASP 38 Cb 0.54 -0.56 -0.06 0.00 -0.72 0.00 0.00 41.12 40.32 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 -2.80 4.34 -0.40 5.18 -7.23 -1.26 -4.40 120.40 113.82 1ujs s VAL 39 Ca 0.44 -1.13 -0.08 0.00 -1.81 0.00 0.00 61.98 59.40 1ujs s VAL 39 Cb 0.35 -3.20 0.08 0.00 0.56 0.00 0.00 36.38 34.17 1ujs s VAL 39 CO 0.10 -0.09 0.22 -1.81 -0.31 0.00 0.00 175.10 173.21 1ujs s ASP 40 N -3.02 5.53 0.48 4.85 1.11 -1.26 -4.93 116.67 119.42 1ujs s ASP 40 Ca 0.30 -1.51 0.17 0.00 0.18 0.00 0.00 52.55 51.69 1ujs s ASP 40 Cb -0.10 -1.95 0.93 0.00 1.07 0.00 0.00 42.92 42.87 1ujs s ASP 40 CO 0.22 -0.50 1.46 0.03 1.18 0.00 0.00 175.17 177.56 1ujs h ARG 41 N 8.33 0.00 0.00 8.23 -0.00 -1.98 1.41 114.38 130.37 1ujs h ARG 41 Ca -0.22 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.19 1ujs h ARG 41 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.03 1ujs h ARG 41 CO 0.72 0.00 -2.01 0.25 0.00 0.00 0.00 179.97 178.93 1ujs n THR 42 N -2.38 0.33 -2.05 2.04 -2.24 -1.26 -3.11 114.28 105.63 1ujs n THR 42 Ca -0.01 -0.58 0.01 0.00 -2.27 0.00 0.00 64.05 61.20 1ujs n THR 42 Cb 0.44 -0.13 0.11 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.39 1.40 -0.37 -0.78 5.12 0.34 -4.83 116.66 115.15 1ujs n ARG 43 Ca -0.10 -3.05 0.04 0.00 -1.93 0.00 0.00 57.85 52.81 1ujs n ARG 43 Cb 0.69 -1.21 0.19 0.00 -1.16 0.00 0.00 32.46 30.97 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 1.31 1.02 -1.90 0.55 3.38 0.12 -0.34 115.31 119.44 1ujs h LEU 44 Ca -0.03 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ujs h LEU 44 Cb 1.37 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1ujs h LEU 44 CO 0.15 0.62 0.12 1.05 0.09 0.00 0.00 178.44 180.47 1ujs h GLU 45 N 1.14 0.14 0.00 1.13 9.09 -1.85 0.65 114.58 124.88 1ujs h GLU 45 Ca 0.45 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.85 1ujs h GLU 45 Cb 0.25 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 1ujs h GLU 45 CO -0.20 0.09 0.00 0.00 0.05 0.00 0.00 179.01 178.95 1ujs h ARG 46 N 0.14 0.00 -0.00 1.06 3.08 -1.43 -2.02 114.38 115.20 1ujs h ARG 46 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ujs h ARG 46 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ujs h ARG 46 CO -0.01 0.00 -0.02 0.72 -1.07 0.00 0.00 179.97 179.58 1ujs n HIS 47 N -2.67 0.00 -3.40 3.04 8.25 0.22 -4.78 115.22 115.87 1ujs n HIS 47 Ca 0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.10 1ujs n HIS 47 Cb 0.26 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.18 4.22 0.34 2.41 1.43 -0.76 -0.03 118.68 124.10 1ujs s LEU 48 Ca 0.39 0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 53.82 1ujs s LEU 48 Cb 0.21 -2.54 -0.11 0.00 0.03 0.00 0.00 46.19 43.78 1ujs s LEU 48 CO 0.40 -0.00 1.54 -0.94 0.23 0.00 0.00 176.35 177.57 1ujs s SER 49 N 0.74 6.36 0.60 2.29 1.04 -1.26 -4.25 113.70 119.22 1ujs s SER 49 Ca 0.21 3.00 0.26 0.00 0.48 0.00 0.00 55.95 59.90 1ujs s SER 49 Cb -0.14 -2.65 0.91 0.00 0.10 0.00 0.00 66.02 64.23 1ujs s SER 49 CO 0.08 -0.89 1.28 0.00 0.98 0.00 0.00 173.24 174.68 1ujs n GLN 50 N 1.26 0.01 -0.01 4.02 6.02 -1.26 0.18 117.38 127.60 1ujs n GLN 50 Ca 0.04 1.00 -0.16 0.00 -0.01 0.00 0.00 57.00 57.88 1ujs n GLN 50 Cb 0.38 -2.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.04 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 0.33 0.00 -1.09 5.08 -1.98 -3.28 114.58 113.64 1ujs h GLU 51 Ca 0.49 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1ujs h GLU 51 Cb 2.90 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 32.23 1ujs h GLU 51 CO -0.01 1.01 -0.32 0.93 -1.00 0.00 0.00 179.01 179.62 1ujs h GLU 52 N -0.23 0.00 -1.45 2.33 4.39 0.16 -3.17 114.58 116.61 1ujs h GLU 52 Ca -0.05 0.00 0.45 0.00 0.34 0.00 0.00 59.36 60.11 1ujs h GLU 52 Cb 1.14 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.70 1ujs h GLU 52 CO 0.09 0.60 1.00 0.34 -1.16 0.00 0.00 179.01 179.88 1ujs n PHE 53 N -4.62 0.30 0.10 4.33 -0.00 0.10 0.24 117.46 117.90 1ujs n PHE 53 Ca -0.11 0.30 -0.24 0.00 -0.00 0.00 0.00 57.45 57.40 1ujs n PHE 53 Cb 0.36 -0.72 -0.15 0.00 -0.00 0.00 0.00 39.48 38.97 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 0.81 0.00 -5.13 5.03 -1.61 -2.34 116.97 113.72 1ujs h TYR 54 Ca 0.78 -0.59 0.00 0.00 2.58 0.00 0.00 58.73 61.51 1ujs h TYR 54 Cb 2.86 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 41.11 1ujs h TYR 54 CO -0.00 1.63 0.00 1.96 -1.32 0.00 0.00 178.16 180.42 1ujs h GLN 55 N 0.09 0.00 0.00 1.82 4.20 0.30 1.87 115.11 123.39 1ujs h GLN 55 Ca -0.31 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.32 1ujs h GLN 55 Cb 2.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.87 1ujs h GLN 55 CO 0.21 0.00 -1.16 0.28 -0.67 0.00 0.00 178.83 177.49 1ujs n VAL 56 N -2.54 1.49 0.08 -0.54 0.31 -0.16 -4.64 118.33 112.33 1ujs n VAL 56 Ca -0.00 0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 64.25 1ujs n VAL 56 Cb 0.13 -2.27 -0.14 0.00 -0.91 0.00 0.00 33.84 30.66 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 0.36 0.00 3.52 -1.00 -1.41 -3.48 116.94 113.92 1ujs h PHE 57 Ca -0.13 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1ujs h PHE 57 Cb 1.02 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.56 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 1.51 1.28 3.83 -1.45 0.00 0.63 -5.04 105.19 105.95 1ujs n GLY 58 Ca -0.08 -0.11 -0.05 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 -0.65 1.54 -0.02 1.61 0.23 -1.19 -4.99 119.30 115.83 1ujs s MET 59 Ca 0.00 -0.94 -0.12 0.00 -1.03 0.00 0.00 55.69 53.59 1ujs s MET 59 Cb 0.00 0.46 -0.05 0.00 -1.53 0.00 0.00 34.83 33.71 1ujs s MET 59 CO 0.00 -0.72 0.34 0.95 -2.03 0.00 0.00 175.02 173.56 1ujs s THR 60 N -2.69 5.16 0.36 3.16 -4.23 -1.26 -3.28 115.64 112.86 1ujs s THR 60 Ca 0.17 0.63 0.22 0.00 -1.18 0.00 0.00 61.69 61.52 1ujs s THR 60 Cb -0.03 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.54 1ujs s THR 60 CO 0.06 0.56 1.50 0.00 -0.54 0.00 0.00 174.62 176.20 1ujs n ILE 61 N 1.75 -0.38 -0.28 2.99 0.13 -1.26 0.18 119.36 122.48 1ujs n ILE 61 Ca -0.15 1.90 -0.00 0.00 -1.10 0.00 0.00 62.75 63.40 1ujs n ILE 61 Cb 0.53 -3.09 0.12 0.00 -0.84 0.00 0.00 39.64 36.36 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 -0.65 113.55 122.64 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 2.23 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 64.04 1ujs h SER 62 CO -0.69 0.50 -1.17 -0.33 -0.53 0.00 0.00 176.83 174.61 1ujs h GLU 63 N 0.90 0.28 -0.18 2.24 4.39 0.14 -3.29 114.58 119.06 1ujs h GLU 63 Ca 0.34 -0.43 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1ujs h GLU 63 Cb 0.14 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1ujs h GLU 63 CO -0.16 1.18 0.10 0.35 -1.16 0.00 0.00 179.01 179.32 1ujs h PHE 64 N 0.10 0.20 0.00 4.33 3.04 -0.43 -1.07 116.94 123.10 1ujs h PHE 64 Ca -0.12 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.84 1ujs h PHE 64 Cb 1.88 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 40.32 1ujs h PHE 64 CO 0.06 0.12 0.00 0.22 -2.02 0.00 0.00 178.31 176.69 1ujs h ASP 65 N 0.22 0.00 -0.14 0.41 1.82 -1.23 0.16 116.42 117.65 1ujs h ASP 65 Ca 0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1ujs h ASP 65 Cb -0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 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 -2.81 1.70 -2.20 0.28 1.74 -0.42 -4.90 116.66 110.06 1ujs n ARG 66 Ca -0.02 -1.04 -0.27 0.00 -0.77 0.00 0.00 57.85 55.74 1ujs n ARG 66 Cb 0.08 -1.41 0.14 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 -1.64 2.81 0.18 0.55 1.43 0.54 -5.05 118.68 117.50 1ujs s LEU 67 Ca 0.33 0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 53.25 1ujs s LEU 67 Cb 0.18 -2.37 -0.08 0.00 0.03 0.00 0.00 46.19 43.95 1ujs s LEU 67 CO 0.27 -2.22 0.91 0.00 0.23 0.00 0.00 176.35 175.55 1ujs s ALA 68 N -3.52 3.33 0.23 4.21 0.00 -1.26 -4.81 121.76 119.94 1ujs s ALA 68 Ca 0.69 0.55 -0.08 0.00 0.00 0.00 0.00 51.96 53.11 1ujs s ALA 68 Cb -0.06 -3.18 0.36 0.00 0.00 0.00 0.00 23.12 20.24 1ujs s ALA 68 CO 0.49 0.14 1.33 -0.11 0.00 0.00 0.00 175.76 177.61 1ujs n LEU 69 N 2.00 -0.35 -0.34 0.00 -0.00 -1.26 0.22 117.00 117.26 1ujs n LEU 69 Ca -0.01 1.47 -0.00 0.00 -0.00 0.00 0.00 56.01 57.47 1ujs n LEU 69 Cb 0.48 -0.43 0.16 0.00 -0.00 0.00 0.00 43.42 43.63 1ujs n LEU 69 CO 0.50 -1.40 1.28 4.11 -0.00 0.00 0.00 177.39 181.88 1ujs h TRP 70 N 0.00 1.18 -0.19 1.96 5.08 -1.97 -0.41 115.95 121.59 1ujs h TRP 70 Ca 0.39 0.03 -0.06 0.00 1.08 0.00 0.00 58.89 60.32 1ujs h TRP 70 Cb 0.60 -0.40 -0.00 0.00 -3.00 0.00 0.00 29.16 26.36 1ujs h TRP 70 CO -0.67 0.71 -0.13 -0.22 -1.28 0.00 0.00 178.44 176.84 1ujs h LYS 71 N 1.24 0.43 0.00 0.12 1.63 0.23 0.68 116.57 120.90 1ujs h LYS 71 Ca 0.36 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.93 1ujs h LYS 71 Cb -0.07 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1ujs h LYS 71 CO -0.10 0.75 -0.15 0.00 -3.45 0.00 0.00 179.45 176.51 1ujs h ARG 72 N 0.11 0.00 0.00 1.90 3.08 -0.13 0.20 114.38 119.54 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 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1ujs h ARG 72 CO 0.04 0.15 -1.39 0.09 -1.07 0.00 0.00 179.97 177.78 1ujs n ASN 73 N -4.28 0.51 0.03 7.04 3.02 -0.19 -3.85 115.26 117.54 1ujs n ASN 73 Ca -0.02 0.17 -0.21 0.00 -0.03 0.00 0.00 54.58 54.48 1ujs n ASN 73 Cb 0.22 1.07 -0.14 0.00 -0.61 0.00 0.00 39.78 40.31 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 0.28 0.47 3.52 4.57 0.11 -3.24 114.58 120.28 1ujs h GLU 74 Ca 0.00 -0.48 -0.02 0.00 -1.18 0.00 0.00 59.36 57.68 1ujs h GLU 74 Cb 0.98 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1ujs h GLU 74 CO 0.00 1.23 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.74 1ujs h LEU 75 N -0.31 -0.59 -1.19 1.64 3.38 -0.82 -2.47 115.31 114.95 1ujs h LEU 75 Ca -0.24 0.03 0.20 0.00 0.09 0.00 0.00 57.88 57.96 1ujs h LEU 75 Cb 1.74 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 42.56 1ujs h LEU 75 CO 0.10 -0.40 0.62 0.11 0.09 0.00 0.00 178.44 178.96 1ujs h LYS 76 N -0.66 0.61 -0.52 1.13 1.57 -1.74 0.27 116.57 117.23 1ujs h LYS 76 Ca -0.06 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1ujs h LYS 76 Cb 0.52 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1ujs h LYS 76 CO 0.09 0.40 0.20 0.87 -0.57 0.00 0.00 179.45 180.45 1ujs h LYS 77 N 0.63 0.76 0.00 3.15 1.57 -1.48 0.31 116.57 121.50 1ujs h LYS 77 Ca 0.55 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1ujs h LYS 77 Cb 1.04 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1ujs h LYS 77 CO -0.31 0.63 -0.22 1.96 -0.57 0.00 0.00 179.45 180.93 1ujs h GLN 78 N 0.75 0.00 -0.69 3.15 4.20 -0.15 -3.19 115.11 119.18 1ujs h GLN 78 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1ujs h GLN 78 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1ujs h GLN 78 CO -0.02 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.14 1ujs n ALA 79 N -2.02 2.37 -2.55 3.87 0.00 -0.02 -4.93 120.51 117.23 1ujs n ALA 79 Ca 0.04 -1.27 -0.18 0.00 0.00 0.00 0.00 53.44 52.03 1ujs n ALA 79 Cb 0.50 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.59 -2.38 -0.12 0.00 1.74 -0.26 -4.75 116.66 112.49 1ujs n ARG 80 Ca 0.24 0.82 0.05 0.00 -0.77 0.00 0.00 57.85 58.18 1ujs n ARG 80 Cb 0.61 -5.49 0.11 0.00 -1.02 0.00 0.00 32.46 26.68 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 -3.10 2.55 -4.50 0.55 4.77 0.94 0.25 117.00 118.46 1ujs n LEU 81 Ca -0.18 -2.49 -0.33 0.00 -0.03 0.00 0.00 56.01 52.97 1ujs n LEU 81 Cb 0.64 -0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1ujs n LEU 81 CO 0.28 0.63 -0.42 0.12 -1.33 0.00 0.00 177.39 176.67 1ujs s PHE 82 N -1.86 2.81 -0.08 -1.77 2.19 -1.05 -4.39 117.98 113.82 1ujs s PHE 82 Ca 0.20 -0.17 -0.02 0.00 0.33 0.00 0.00 56.93 57.28 1ujs s PHE 82 Cb 0.16 -1.70 -0.04 0.00 -1.31 0.00 0.00 43.02 40.13 1ujs s PHE 82 CO 0.05 0.17 -0.09 -1.13 1.83 0.00 0.00 175.22 176.05 1ujs n SER 83 N 2.49 1.98 0.00 6.13 3.41 -1.18 -4.87 113.62 121.58 1ujs n SER 83 Ca -0.18 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1ujs n SER 83 Cb 0.52 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1ujs n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujs n GLY 84 N 2.80 1.79 1.89 5.00 0.00 -1.26 -5.10 105.19 110.31 1ujs n GLY 84 Ca -0.15 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 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 2.60 -2.17 -4.93 1.61 -0.04 -1.26 -5.02 135.00 125.78 1ujs n PRO 85 Ca 0.00 -0.94 -0.31 0.00 -0.04 0.00 0.00 63.50 62.21 1ujs n PRO 85 Cb 0.00 -0.88 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 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 -3.10 3.33 0.06 3.54 0.15 -1.26 -5.11 113.70 111.32 1ujs s SER 86 Ca 0.38 -0.51 -0.30 0.00 0.70 0.00 0.00 55.95 56.22 1ujs s SER 86 Cb -0.04 -0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 63.82 1ujs s SER 86 CO 0.29 0.28 1.14 -0.94 1.20 0.00 0.00 173.24 175.21 1ujs s SER 87 N -1.13 7.16 0.00 5.45 1.04 -1.26 -5.35 113.70 119.62 1ujs s SER 87 Ca 0.12 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.50 1ujs s SER 87 Cb -0.10 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1ujs s SER 87 CO 0.02 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.46