#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 6.88 -0.11 1.61 0.01 -1.26 -5.02 113.70 115.82 1ujs s SER 2 Ca 0.00 1.35 0.03 0.00 1.31 0.00 0.00 55.95 58.64 1ujs s SER 2 Cb 0.00 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 1ujs s SER 2 CO 0.00 -0.87 -0.22 -0.44 0.41 0.00 0.00 173.24 172.12 1ujs s SER 3 N 2.05 3.29 0.00 2.44 0.01 -1.26 -4.97 113.70 115.26 1ujs s SER 3 Ca 0.52 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1ujs s SER 3 Cb -0.17 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.61 1ujs s SER 3 CO 0.16 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1ujs n GLY 4 N 3.52 0.00 3.49 3.44 0.00 -1.26 -5.14 105.19 109.23 1ujs n GLY 4 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.12 -0.43 -0.09 1.61 0.01 -1.26 -5.18 113.70 105.24 1ujs s SER 5 Ca 0.00 -0.02 -0.19 0.00 1.31 0.00 0.00 55.95 57.04 1ujs s SER 5 Cb 0.00 0.47 0.04 0.00 0.21 0.00 0.00 66.02 66.74 1ujs s SER 5 CO 0.00 -0.77 0.46 -0.55 0.41 0.00 0.00 173.24 172.80 1ujs s SER 6 N -2.60 -0.42 0.00 2.44 0.15 -1.26 -5.16 113.70 106.85 1ujs s SER 6 Ca 0.04 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1ujs s SER 6 Cb -0.01 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 1ujs s SER 6 CO -0.10 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1ujs n GLY 7 N 1.79 1.57 2.62 9.45 0.00 -1.26 -5.06 105.19 114.29 1ujs n GLY 7 Ca -0.18 -1.92 -0.48 0.00 0.00 0.00 0.00 46.02 43.44 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 0.70 -3.18 1.61 2.85 -1.26 -4.83 115.26 111.15 1ujs n ASN 8 Ca 0.00 0.66 -0.02 0.00 -0.11 0.00 0.00 54.58 55.11 1ujs n ASN 8 Cb 0.00 -0.68 0.02 0.00 1.24 0.00 0.00 39.78 40.36 1ujs n ASN 8 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ujs n ALA 9 N 4.75 -2.57 -0.84 5.20 0.00 -1.26 -4.71 120.51 121.08 1ujs n ALA 9 Ca 0.35 -0.95 -0.18 0.00 0.00 0.00 0.00 53.44 52.66 1ujs n ALA 9 Cb -0.04 0.51 0.25 0.00 0.00 0.00 0.00 19.45 20.18 1ujs n ALA 9 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ujs n VAL 10 N -0.69 0.00 -2.23 0.00 0.24 -1.26 -5.00 118.33 109.39 1ujs n VAL 10 Ca -0.02 -0.33 -0.07 0.00 -2.04 0.00 0.00 64.34 61.88 1ujs n VAL 10 Cb 0.55 -1.15 0.07 0.00 -1.47 0.00 0.00 33.84 31.83 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 -5.05 2.81 -4.67 -1.34 3.02 -1.26 -4.97 115.26 103.79 1ujs n ASN 11 Ca 0.14 -3.06 -0.43 0.00 -0.03 0.00 0.00 54.58 51.21 1ujs n ASN 11 Cb 0.57 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 1ujs n ASN 11 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1ujs s TRP 12 N -3.07 3.40 0.14 3.10 0.23 -1.26 -4.94 118.94 116.53 1ujs s TRP 12 Ca 0.39 1.45 -0.12 0.00 -2.03 0.00 0.00 56.10 55.79 1ujs s TRP 12 Cb 0.37 -3.20 -0.04 0.00 0.03 0.00 0.00 33.47 30.64 1ujs s TRP 12 CO -0.03 -0.37 1.48 0.78 0.96 0.00 0.00 176.95 179.76 1ujs h GLY 13 N 8.89 0.98 0.22 0.98 0.00 -2.05 -3.30 103.07 108.80 1ujs h GLY 13 Ca -0.24 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.12 1ujs h GLY 13 CO 0.92 0.88 -0.49 -0.33 0.00 0.00 0.00 176.54 177.52 1ujs h MET 14 N 0.71 -0.75 -4.49 4.80 2.86 -2.05 -3.46 114.93 112.56 1ujs h MET 14 Ca 0.07 0.05 -0.27 0.00 -2.06 0.00 0.00 59.70 57.49 1ujs h MET 14 Cb 0.91 0.17 -0.13 0.00 0.06 0.00 0.00 31.60 32.61 1ujs h MET 14 CO 0.08 -0.50 -0.48 1.03 1.06 0.00 0.00 176.91 178.10 1ujs s ARG 15 N -5.58 1.44 -0.35 1.72 1.81 -1.24 -5.14 118.95 111.61 1ujs s ARG 15 Ca -0.16 -1.68 -0.05 0.00 -1.72 0.00 0.00 55.73 52.12 1ujs s ARG 15 Cb 0.05 0.33 0.06 0.00 -0.45 0.00 0.00 34.95 34.94 1ujs s ARG 15 CO 0.56 -0.52 0.12 -2.00 -0.68 0.00 0.00 175.30 172.78 1ujs s GLU 16 N -3.87 2.49 -0.54 3.54 2.56 -1.26 -4.29 118.70 117.33 1ujs s GLU 16 Ca 0.36 -1.34 -0.17 0.00 0.00 0.00 0.00 54.97 53.83 1ujs s GLU 16 Cb 0.04 -3.48 0.11 0.00 2.00 0.00 0.00 34.13 32.80 1ujs s GLU 16 CO 0.16 -0.76 0.53 0.71 -0.56 0.00 0.00 175.26 175.34 1ujs s TYR 17 N 1.34 3.18 0.29 5.30 2.02 -1.26 -5.03 117.35 123.18 1ujs s TYR 17 Ca -0.00 -1.10 -0.29 0.00 -0.37 0.00 0.00 57.07 55.31 1ujs s TYR 17 Cb -0.21 -3.71 -0.13 0.00 -0.40 0.00 0.00 41.96 37.51 1ujs s TYR 17 CO 0.01 -1.04 1.25 1.17 -1.57 0.00 0.00 175.55 175.37 1ujs n LYS 18 N 5.54 1.85 -1.90 -0.62 4.81 -1.26 -4.26 118.16 122.31 1ujs n LYS 18 Ca -0.12 0.65 -0.43 0.00 -0.87 0.00 0.00 58.31 57.54 1ujs n LYS 18 Cb 0.42 -2.20 -0.03 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 -0.73 3.37 0.09 3.15 -1.09 -1.26 -4.72 121.20 120.01 1ujs s ILE 19 Ca 0.61 0.39 0.10 0.00 -2.23 0.00 0.00 60.65 59.52 1ujs s ILE 19 Cb -0.64 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1ujs s ILE 19 CO 0.57 -0.26 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.46 1ujs s TYR 20 N 6.74 2.24 0.36 3.97 2.02 0.12 -5.02 117.35 127.79 1ujs s TYR 20 Ca 0.84 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.88 1ujs s TYR 20 Cb -0.27 -1.27 -0.09 0.00 -0.40 0.00 0.00 41.96 39.92 1ujs s TYR 20 CO 0.34 0.22 1.20 -1.25 -1.57 0.00 0.00 175.55 174.50 1ujs s PRO 21 N -1.65 4.22 0.23 -1.71 0.04 -1.26 -4.17 135.00 130.69 1ujs s PRO 21 Ca 0.12 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 63.04 1ujs s PRO 21 Cb -0.10 -2.87 0.38 0.00 0.04 0.00 0.00 34.50 31.96 1ujs s PRO 21 CO 0.04 -0.22 1.68 -0.92 0.04 0.00 0.00 177.00 177.62 1ujs h TYR 22 N 3.02 0.14 -0.23 0.56 3.20 -1.92 0.24 116.97 121.98 1ujs h TYR 22 Ca -0.49 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.45 1ujs h TYR 22 Cb 1.23 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 1ujs h TYR 22 CO 0.56 -0.12 -0.17 1.05 -1.64 0.00 0.00 178.16 177.84 1ujs h GLU 23 N 0.21 -0.04 0.00 1.82 4.11 -1.99 0.28 114.58 118.97 1ujs h GLU 23 Ca 0.37 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.79 1ujs h GLU 23 Cb 0.62 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ujs h GLU 23 CO -0.51 -0.03 -0.09 1.37 0.07 0.00 0.00 179.01 179.82 1ujs h LEU 24 N -0.05 0.00 -0.27 3.06 8.10 -1.80 -2.09 115.31 122.26 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 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.36 1ujs h LEU 24 CO -0.24 0.09 0.00 0.18 -4.11 0.00 0.00 178.44 174.36 1ujs n LEU 25 N -3.29 0.39 -4.72 0.17 4.77 0.82 -2.91 117.00 112.24 1ujs n LEU 25 Ca -0.00 -0.20 -0.29 0.00 -0.03 0.00 0.00 56.01 55.49 1ujs n LEU 25 Cb 0.30 -0.05 0.16 0.00 -2.33 0.00 0.00 43.42 41.50 1ujs n LEU 25 CO 0.29 0.10 0.67 -0.76 -1.33 0.00 0.00 177.39 176.35 1ujs s LEU 26 N -1.03 1.86 -0.14 2.23 1.43 0.17 -4.61 118.68 118.59 1ujs s LEU 26 Ca 0.06 1.19 0.19 0.00 -1.03 0.00 0.00 54.13 54.54 1ujs s LEU 26 Cb 0.03 -3.48 0.44 0.00 0.03 0.00 0.00 46.19 43.22 1ujs s LEU 26 CO 0.04 -2.86 1.18 0.55 0.23 0.00 0.00 176.35 175.49 1ujs n VAL 27 N -3.99 1.18 -1.51 -1.59 3.14 0.70 -4.75 118.33 111.51 1ujs n VAL 27 Ca 0.06 -2.40 -0.49 0.00 -2.96 0.00 0.00 64.34 58.55 1ujs n VAL 27 Cb 0.57 0.43 -0.06 0.00 -1.06 0.00 0.00 33.84 33.72 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 -0.32 0.27 0.08 1.55 -2.24 -1.26 -4.86 114.28 107.49 1ujs n THR 28 Ca 0.15 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 1ujs n THR 28 Cb 0.93 -1.88 -0.06 0.00 -2.10 0.00 0.00 70.33 67.21 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 6.91 0.00 0.16 4.28 2.02 -1.98 -3.22 112.91 121.08 1ujs h THR 29 Ca -0.33 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.53 1ujs h THR 29 Cb 1.30 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1ujs h THR 29 CO 1.00 0.00 -1.56 0.08 0.37 0.00 0.00 175.52 175.41 1ujs h ARG 30 N -0.50 0.34 -6.54 6.66 0.11 -2.06 -3.47 114.38 108.92 1ujs h ARG 30 Ca -0.01 -0.59 -0.47 0.00 0.10 0.00 0.00 59.98 59.02 1ujs h ARG 30 Cb 0.49 0.22 0.24 0.00 1.11 0.00 0.00 29.97 32.03 1ujs h ARG 30 CO -0.17 1.24 -1.41 0.41 0.10 0.00 0.00 179.97 180.14 1ujs n GLY 31 N 1.72 -2.61 3.40 0.08 0.00 -1.22 -4.86 105.19 101.70 1ujs n GLY 31 Ca -0.18 -0.65 -0.45 0.00 0.00 0.00 0.00 46.02 44.74 1ujs n GLY 31 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ujs s ARG 32 N -3.15 4.07 0.50 1.61 1.70 -1.26 -4.84 118.95 117.59 1ujs s ARG 32 Ca 0.52 -2.80 -0.21 0.00 -0.47 0.00 0.00 55.73 52.77 1ujs s ARG 32 Cb -0.08 -4.78 -0.07 0.00 -0.57 0.00 0.00 34.95 29.45 1ujs s ARG 32 CO 0.66 -1.50 1.09 0.54 -1.08 0.00 0.00 175.30 175.02 1ujs s ASN 33 N 2.16 6.09 -0.27 -2.89 2.20 -1.26 -4.97 114.94 116.00 1ujs s ASN 33 Ca 0.35 2.09 0.08 0.00 -0.94 0.00 0.00 52.86 54.44 1ujs s ASN 33 Cb -0.07 -2.58 0.45 0.00 -2.00 0.00 0.00 41.25 37.06 1ujs s ASN 33 CO -0.05 -0.96 1.22 -1.14 -2.94 0.00 0.00 177.10 173.24 1ujs n ARG 34 N -0.97 2.93 -1.70 3.55 0.00 -1.26 -5.06 116.66 114.16 1ujs n ARG 34 Ca 0.10 -3.86 -0.44 0.00 -0.00 0.00 0.00 57.85 53.65 1ujs n ARG 34 Cb 0.51 -2.07 -0.03 0.00 0.00 0.00 0.00 32.46 30.87 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 -0.85 3.68 0.00 6.15 4.77 -1.15 -4.85 117.00 124.76 1ujs n LEU 35 Ca 0.36 1.06 -0.17 0.00 -0.03 0.00 0.00 56.01 57.24 1ujs n LEU 35 Cb 0.88 -1.52 0.14 0.00 -2.33 0.00 0.00 43.42 40.60 1ujs n LEU 35 CO 0.27 0.02 0.35 -0.81 -1.33 0.00 0.00 177.39 175.88 1ujs n PRO 36 N 3.95 -2.23 -0.60 3.23 -0.04 -1.26 -4.96 135.00 133.09 1ujs n PRO 36 Ca 0.17 -1.00 0.09 0.00 -0.04 0.00 0.00 63.50 62.72 1ujs n PRO 36 Cb 0.33 -0.93 0.35 0.00 -0.04 0.00 0.00 33.50 33.21 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 -3.41 3.69 -0.14 0.54 0.00 -1.26 -4.12 118.16 113.46 1ujs n LYS 37 Ca 0.09 -2.87 0.04 0.00 -0.00 0.00 0.00 58.31 55.56 1ujs n LYS 37 Cb 0.34 -1.87 0.06 0.00 -0.00 0.00 0.00 35.03 33.55 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 1.09 1.41 -4.91 -5.58 2.03 -1.26 -5.06 116.55 104.27 1ujs n ASP 38 Ca 0.25 -2.31 -0.26 0.00 0.52 0.00 0.00 54.79 52.99 1ujs n ASP 38 Cb 0.88 -0.22 -0.04 0.00 -0.72 0.00 0.00 41.12 41.02 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 -1.40 5.12 -0.41 5.18 -7.23 -1.26 -4.48 120.40 115.93 1ujs s VAL 39 Ca 0.13 -0.77 -0.08 0.00 -1.81 0.00 0.00 61.98 59.45 1ujs s VAL 39 Cb 0.11 -3.62 0.07 0.00 0.56 0.00 0.00 36.38 33.50 1ujs s VAL 39 CO 0.01 -0.09 0.23 -1.81 -0.31 0.00 0.00 175.10 173.14 1ujs s ASP 40 N -3.17 5.56 0.50 4.85 1.11 -1.26 -4.93 116.67 119.32 1ujs s ASP 40 Ca 0.34 -1.49 0.17 0.00 0.18 0.00 0.00 52.55 51.75 1ujs s ASP 40 Cb -0.11 -1.96 0.93 0.00 1.07 0.00 0.00 42.92 42.85 1ujs s ASP 40 CO 0.27 -0.51 1.46 0.03 1.18 0.00 0.00 175.17 177.61 1ujs h ARG 41 N 8.35 0.00 0.00 8.23 -0.00 -1.97 1.67 114.38 130.65 1ujs h ARG 41 Ca -0.22 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.21 1ujs h ARG 41 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.04 1ujs h ARG 41 CO 0.73 0.00 -2.03 0.25 0.00 0.00 0.00 179.97 178.92 1ujs n THR 42 N -2.41 0.20 -1.89 2.04 -2.24 -1.26 -3.24 114.28 105.47 1ujs n THR 42 Ca -0.01 -0.54 0.05 0.00 -2.27 0.00 0.00 64.05 61.28 1ujs n THR 42 Cb 0.46 -0.06 0.14 0.00 -2.10 0.00 0.00 70.33 68.78 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 -2.31 1.04 -0.33 -0.78 5.12 0.36 -4.83 116.66 114.93 1ujs n ARG 43 Ca -0.08 -2.84 0.06 0.00 -1.93 0.00 0.00 57.85 53.06 1ujs n ARG 43 Cb 0.64 -1.07 0.22 0.00 -1.16 0.00 0.00 32.46 31.10 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 0.97 0.79 -1.76 0.55 3.38 0.17 0.65 115.31 120.05 1ujs h LEU 44 Ca -0.08 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ujs h LEU 44 Cb 1.30 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1ujs h LEU 44 CO 0.03 0.40 0.19 1.05 0.09 0.00 0.00 178.44 180.21 1ujs h GLU 45 N 0.86 0.31 0.00 1.13 9.09 -1.85 0.12 114.58 124.25 1ujs h GLU 45 Ca 0.47 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1ujs h GLU 45 Cb 0.52 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 1ujs h GLU 45 CO -0.29 0.21 0.00 0.00 0.05 0.00 0.00 179.01 178.98 1ujs h ARG 46 N 0.32 0.00 -0.00 1.06 3.08 -1.24 -1.45 114.38 116.15 1ujs h ARG 46 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1ujs h ARG 46 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ujs h ARG 46 CO -0.02 0.00 -0.00 0.72 -1.07 0.00 0.00 179.97 179.60 1ujs n HIS 47 N -3.04 0.00 -3.45 3.04 8.25 0.03 -4.75 115.22 115.30 1ujs n HIS 47 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1ujs n HIS 47 Cb 0.22 -0.09 -0.08 0.00 1.12 0.00 0.00 29.99 31.16 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 4.14 0.37 2.41 1.43 -0.55 0.14 118.68 124.44 1ujs s LEU 48 Ca 0.42 0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 53.65 1ujs s LEU 48 Cb 0.21 -2.42 -0.11 0.00 0.03 0.00 0.00 46.19 43.91 1ujs s LEU 48 CO 0.40 -0.05 1.50 -0.94 0.23 0.00 0.00 176.35 177.49 1ujs s SER 49 N 1.08 6.34 0.57 2.29 1.04 -1.26 -4.19 113.70 119.57 1ujs s SER 49 Ca 0.16 3.05 0.28 0.00 0.48 0.00 0.00 55.95 59.92 1ujs s SER 49 Cb -0.15 -2.66 0.96 0.00 0.10 0.00 0.00 66.02 64.27 1ujs s SER 49 CO 0.07 -0.89 1.26 0.00 0.98 0.00 0.00 173.24 174.67 1ujs n GLN 50 N 0.65 0.01 -0.02 4.02 6.02 -1.26 0.13 117.38 126.94 1ujs n GLN 50 Ca 0.02 0.98 -0.13 0.00 -0.01 0.00 0.00 57.00 57.85 1ujs n GLN 50 Cb 0.39 -2.41 -0.10 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 -0.01 0.00 -1.09 5.08 -1.98 -3.24 114.58 113.34 1ujs h GLU 51 Ca 0.52 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.85 1ujs h GLU 51 Cb 2.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.14 1ujs h GLU 51 CO -0.01 0.54 -0.24 0.93 -1.00 0.00 0.00 179.01 179.24 1ujs h GLU 52 N -0.58 0.00 -1.39 2.33 5.08 0.81 -3.15 114.58 117.68 1ujs h GLU 52 Ca -0.00 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 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 1ujs h GLU 52 CO 0.00 0.64 0.95 0.34 -1.00 0.00 0.00 179.01 179.95 1ujs n PHE 53 N -4.63 0.30 0.09 4.33 -0.00 0.85 0.24 117.46 118.64 1ujs n PHE 53 Ca -0.10 0.31 -0.23 0.00 -0.00 0.00 0.00 57.45 57.42 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 0.77 0.00 -5.13 5.03 -1.58 -2.43 116.97 113.63 1ujs h TYR 54 Ca 0.76 -0.56 0.00 0.00 2.58 0.00 0.00 58.73 61.50 1ujs h TYR 54 Cb 2.74 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 40.99 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 0.09 0.00 0.00 1.82 4.20 0.32 1.88 115.11 123.43 1ujs h GLN 55 Ca -0.32 0.00 -0.10 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 0.20 0.00 -1.21 0.28 -0.67 0.00 0.00 178.83 177.43 1ujs n VAL 56 N -2.55 1.49 0.08 -0.54 0.31 -0.02 -4.64 118.33 112.46 1ujs n VAL 56 Ca -0.00 0.05 -0.14 0.00 -0.01 0.00 0.00 64.34 64.24 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 0.35 0.00 3.52 -1.00 -1.43 -3.48 116.94 113.90 1ujs h PHE 57 Ca -0.15 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 60.37 1ujs h PHE 57 Cb 1.04 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.58 1ujs h PHE 57 CO -0.29 1.22 0.00 0.41 -1.61 0.00 0.00 178.31 178.04 1ujs n GLY 58 N 1.52 1.26 3.82 -1.45 0.00 0.64 -5.04 105.19 105.94 1ujs n GLY 58 Ca -0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.67 1.55 -0.00 1.61 0.23 -1.18 -4.99 119.30 115.84 1ujs s MET 59 Ca 0.00 -0.94 -0.12 0.00 -1.03 0.00 0.00 55.69 53.60 1ujs s MET 59 Cb 0.00 0.47 -0.05 0.00 -1.53 0.00 0.00 34.83 33.72 1ujs s MET 59 CO 0.00 -0.72 0.36 0.95 -2.03 0.00 0.00 175.02 173.58 1ujs s THR 60 N -2.77 5.12 0.37 3.16 -4.23 -1.26 -3.31 115.64 112.72 1ujs s THR 60 Ca 0.16 0.65 0.22 0.00 -1.18 0.00 0.00 61.69 61.54 1ujs s THR 60 Cb -0.03 -3.65 0.36 0.00 1.34 0.00 0.00 72.50 70.52 1ujs s THR 60 CO 0.06 0.52 1.52 0.00 -0.54 0.00 0.00 174.62 176.18 1ujs n ILE 61 N 1.65 -0.38 -0.29 2.99 0.13 -1.26 0.17 119.36 122.37 1ujs n ILE 61 Ca -0.14 1.92 -0.00 0.00 -1.10 0.00 0.00 62.75 63.43 1ujs n ILE 61 Cb 0.53 -3.12 0.12 0.00 -0.84 0.00 0.00 39.64 36.33 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 0.78 0.57 9.51 0.87 -2.00 -0.61 113.55 122.67 1ujs h SER 62 Ca 0.82 0.02 -0.26 0.00 -1.23 0.00 0.00 61.79 61.14 1ujs h SER 62 Cb 2.27 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 64.08 1ujs h SER 62 CO -0.69 0.51 -1.16 -0.33 -0.53 0.00 0.00 176.83 174.62 1ujs h GLU 63 N 0.92 0.30 -0.07 2.24 4.39 0.14 -3.28 114.58 119.22 1ujs h GLU 63 Ca 0.35 -0.45 0.01 0.00 0.34 0.00 0.00 59.36 59.60 1ujs h GLU 63 Cb 0.14 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1ujs h GLU 63 CO -0.16 1.19 0.02 0.35 -1.16 0.00 0.00 179.01 179.25 1ujs h PHE 64 N 0.11 0.04 0.00 4.33 3.57 -0.45 -1.18 116.94 123.36 1ujs h PHE 64 Ca -0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1ujs h PHE 64 Cb 1.87 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.60 1ujs h PHE 64 CO 0.06 0.02 0.00 0.22 -2.23 0.00 0.00 178.31 176.38 1ujs h ASP 65 N 0.06 0.00 -0.10 0.41 3.58 -1.23 0.20 116.42 119.34 1ujs h ASP 65 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1ujs h ASP 65 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1ujs h ASP 65 CO -0.03 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.87 1ujs n ARG 66 N -2.83 1.67 -2.16 0.28 1.74 -0.46 -4.90 116.66 110.00 1ujs n ARG 66 Ca -0.02 -1.00 -0.27 0.00 -0.77 0.00 0.00 57.85 55.78 1ujs n ARG 66 Cb 0.07 -1.43 0.14 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.74 2.80 0.21 0.55 1.43 0.70 -5.05 118.68 117.58 1ujs s LEU 67 Ca 0.35 0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 53.27 1ujs s LEU 67 Cb 0.19 -2.33 -0.08 0.00 0.03 0.00 0.00 46.19 43.99 1ujs s LEU 67 CO 0.29 -2.30 0.90 0.00 0.23 0.00 0.00 176.35 175.46 1ujs s ALA 68 N -3.57 3.36 0.25 4.21 0.00 -1.26 -4.81 121.76 119.93 1ujs s ALA 68 Ca 0.70 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 1ujs s ALA 68 Cb -0.05 -3.14 0.37 0.00 0.00 0.00 0.00 23.12 20.30 1ujs s ALA 68 CO 0.49 0.21 1.43 -0.11 0.00 0.00 0.00 175.76 177.79 1ujs n LEU 69 N 1.64 -0.40 -0.34 0.00 -0.00 -1.26 0.19 117.00 116.83 1ujs n LEU 69 Ca -0.03 1.59 0.01 0.00 -0.00 0.00 0.00 56.01 57.58 1ujs n LEU 69 Cb 0.48 -0.45 0.17 0.00 -0.00 0.00 0.00 43.42 43.62 1ujs n LEU 69 CO 0.49 -1.50 1.27 4.11 -0.00 0.00 0.00 177.39 181.77 1ujs h TRP 70 N 0.00 1.16 -0.19 1.96 5.08 -1.97 -0.06 115.95 121.93 1ujs h TRP 70 Ca 0.41 0.03 -0.06 0.00 1.08 0.00 0.00 58.89 60.35 1ujs h TRP 70 Cb 0.64 -0.39 -0.00 0.00 -3.00 0.00 0.00 29.16 26.41 1ujs h TRP 70 CO -0.73 0.67 -0.13 -0.22 -1.28 0.00 0.00 178.44 176.75 1ujs h LYS 71 N 1.20 0.43 0.00 0.12 1.63 0.16 0.79 116.57 120.90 1ujs h LYS 71 Ca 0.38 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 1ujs h LYS 71 Cb 0.01 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1ujs h LYS 71 CO -0.12 0.75 -0.16 0.00 -3.45 0.00 0.00 179.45 176.47 1ujs h ARG 72 N 0.10 0.00 0.00 1.90 3.08 -0.06 0.20 114.38 119.61 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 0.16 -1.42 0.09 -1.07 0.00 0.00 179.97 177.77 1ujs n ASN 73 N -4.17 0.46 0.02 7.04 3.02 -0.07 -3.88 115.26 117.68 1ujs n ASN 73 Ca -0.02 0.04 -0.21 0.00 -0.03 0.00 0.00 54.58 54.35 1ujs n ASN 73 Cb 0.23 1.17 -0.14 0.00 -0.61 0.00 0.00 39.78 40.44 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 0.27 0.42 3.52 4.57 0.13 -3.27 114.58 120.21 1ujs h GLU 74 Ca 0.00 -0.46 -0.02 0.00 -1.18 0.00 0.00 59.36 57.70 1ujs h GLU 74 Cb 0.93 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1ujs h GLU 74 CO 0.00 1.22 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.78 1ujs h LEU 75 N -0.27 -0.47 -1.23 1.64 3.38 -0.81 -2.52 115.31 115.03 1ujs h LEU 75 Ca -0.29 0.01 0.20 0.00 0.09 0.00 0.00 57.88 57.90 1ujs h LEU 75 Cb 1.78 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 42.57 1ujs h LEU 75 CO 0.09 -0.33 0.61 0.11 0.09 0.00 0.00 178.44 179.01 1ujs h LYS 76 N -0.57 0.59 -0.41 1.13 1.57 -1.74 0.29 116.57 117.42 1ujs h LYS 76 Ca -0.06 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1ujs h LYS 76 Cb 0.43 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1ujs h LYS 76 CO 0.09 0.39 0.11 0.87 -0.57 0.00 0.00 179.45 180.34 1ujs h LYS 77 N 0.61 0.61 0.00 3.15 1.57 -1.51 0.28 116.57 121.28 1ujs h LYS 77 Ca 0.54 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1ujs h LYS 77 Cb 1.04 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1ujs h LYS 77 CO -0.29 0.55 -0.29 1.96 -0.57 0.00 0.00 179.45 180.81 1ujs h GLN 78 N 0.60 0.00 -0.69 3.15 4.20 -0.17 -3.21 115.11 118.98 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 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1ujs h GLN 78 CO -0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1ujs n ALA 79 N -2.02 2.43 -2.72 3.87 0.00 -0.09 -4.94 120.51 117.05 1ujs n ALA 79 Ca 0.03 -1.32 -0.18 0.00 0.00 0.00 0.00 53.44 51.97 1ujs n ALA 79 Cb 0.50 -0.89 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 1.49 -2.88 -0.09 0.00 1.74 -0.33 -4.76 116.66 111.83 1ujs n ARG 80 Ca 0.24 0.74 0.04 0.00 -0.77 0.00 0.00 57.85 58.10 1ujs n ARG 80 Cb 0.63 -5.44 0.08 0.00 -1.02 0.00 0.00 32.46 26.72 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 -3.29 2.44 -4.53 0.55 4.77 0.85 0.25 117.00 118.04 1ujs n LEU 81 Ca -0.14 -2.31 -0.33 0.00 -0.03 0.00 0.00 56.01 53.21 1ujs n LEU 81 Cb 0.62 -0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.41 1ujs n LEU 81 CO 0.32 0.61 -0.42 0.12 -1.33 0.00 0.00 177.39 176.69 1ujs s PHE 82 N -1.53 2.79 0.00 -1.77 2.19 -1.05 -4.37 117.98 114.24 1ujs s PHE 82 Ca 0.15 -0.09 0.00 0.00 0.33 0.00 0.00 56.93 57.32 1ujs s PHE 82 Cb 0.11 -1.63 0.00 0.00 -1.31 0.00 0.00 43.02 40.20 1ujs s PHE 82 CO 0.05 0.28 0.00 0.45 1.83 0.00 0.00 175.22 177.83 1ujs n SER 83 N 2.00 1.63 0.00 6.13 2.88 -1.20 -4.87 113.62 120.19 1ujs n SER 83 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1ujs n SER 83 Cb 0.52 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 2.08 1.66 2.06 0.46 0.00 -1.26 -5.07 105.19 105.12 1ujs n GLY 84 Ca 0.00 -1.41 -0.18 0.00 0.00 0.00 0.00 46.02 44.43 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 2.71 -2.28 -4.25 1.61 -0.04 -1.26 -4.88 135.00 126.61 1ujs n PRO 85 Ca 0.00 -1.03 -0.26 0.00 -0.04 0.00 0.00 63.50 62.17 1ujs n PRO 85 Cb 0.00 -0.96 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 -3.24 4.55 0.10 3.54 1.04 -1.26 -5.14 113.70 113.28 1ujs s SER 86 Ca 0.42 -0.51 0.08 0.00 0.48 0.00 0.00 55.95 56.42 1ujs s SER 86 Cb -0.04 -0.88 -0.03 0.00 0.10 0.00 0.00 66.02 65.17 1ujs s SER 86 CO 0.32 0.07 -0.21 -0.94 0.98 0.00 0.00 173.24 173.46 1ujs s SER 87 N -3.07 2.57 0.00 7.02 1.04 -1.26 -5.30 113.70 114.70 1ujs s SER 87 Ca 0.27 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1ujs s SER 87 Cb -0.08 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1ujs s SER 87 CO 0.18 0.08 0.48 0.61 0.98 0.00 0.00 173.24 175.56