#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 6.26 0.51 1.61 1.04 -1.26 -5.01 113.70 116.86 1ujs s SER 2 Ca 0.00 -0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.18 1ujs s SER 2 Cb 0.00 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.62 1ujs s SER 2 CO 0.00 -1.67 0.71 -0.55 0.98 0.00 0.00 173.24 172.70 1ujs s SER 3 N 3.45 5.33 0.23 7.02 0.15 -1.26 -5.12 113.70 123.49 1ujs s SER 3 Ca 0.37 -0.34 -0.13 0.00 0.70 0.00 0.00 55.95 56.54 1ujs s SER 3 Cb -0.09 -0.53 0.05 0.00 -1.71 0.00 0.00 66.02 63.74 1ujs s SER 3 CO 0.18 -1.07 0.66 0.61 1.20 0.00 0.00 173.24 174.82 1ujs n GLY 4 N -2.16 1.05 3.30 9.45 0.00 -1.26 -5.18 105.19 110.40 1ujs n GLY 4 Ca 0.10 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 1ujs n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujs s SER 5 N -2.65 2.49 1.08 1.61 1.04 -1.26 -5.13 113.70 110.87 1ujs s SER 5 Ca 0.14 -0.84 -0.20 0.00 0.48 0.00 0.00 55.95 55.53 1ujs s SER 5 Cb -0.03 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 65.98 1ujs s SER 5 CO 0.07 -0.06 -0.34 -1.20 0.98 0.00 0.00 173.24 172.69 1ujs n SER 6 N 0.40 -2.62 0.00 7.02 7.64 -1.26 -4.15 113.62 120.65 1ujs n SER 6 Ca -0.14 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1ujs n SER 6 Cb 0.57 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1ujs n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujs n GLY 7 N 2.36 2.53 0.13 0.23 0.00 -1.26 -4.85 105.19 104.33 1ujs n GLY 7 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 1ujs n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ujs n ASN 8 N 0.23 1.82 -3.67 1.61 0.23 -1.26 -4.98 115.26 109.24 1ujs n ASN 8 Ca 0.00 0.09 -0.12 0.00 -0.53 0.00 0.00 54.58 54.02 1ujs n ASN 8 Cb 0.00 -0.51 -0.08 0.00 -2.08 0.00 0.00 39.78 37.11 1ujs n ASN 8 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ujs s ALA 9 N -2.54 -1.51 0.08 -2.53 0.00 -1.26 -4.60 121.76 109.39 1ujs s ALA 9 Ca -0.24 1.84 -0.23 0.00 0.00 0.00 0.00 51.96 53.32 1ujs s ALA 9 Cb 0.08 -1.08 -0.13 0.00 0.00 0.00 0.00 23.12 21.99 1ujs s ALA 9 CO 0.72 -0.30 0.52 1.33 0.00 0.00 0.00 175.76 178.02 1ujs n VAL 10 N 3.33 0.81 -0.13 0.00 0.24 -1.26 -4.77 118.33 116.55 1ujs n VAL 10 Ca -0.17 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.34 61.87 1ujs n VAL 10 Cb 0.56 0.00 0.15 0.00 -1.47 0.00 0.00 33.84 33.08 1ujs n VAL 10 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1ujs n ASN 11 N 1.24 3.48 -4.69 -1.34 0.23 -1.26 -4.77 115.26 108.15 1ujs n ASN 11 Ca 0.13 -2.72 -0.42 0.00 -0.53 0.00 0.00 54.58 51.04 1ujs n ASN 11 Cb 0.12 -0.65 -0.03 0.00 -2.08 0.00 0.00 39.78 37.14 1ujs n ASN 11 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 1ujs n TRP 12 N -0.08 2.61 0.15 -2.53 5.03 -1.26 -4.88 117.44 116.48 1ujs n TRP 12 Ca 0.25 -0.17 0.02 0.00 3.03 0.00 0.00 57.50 60.63 1ujs n TRP 12 Cb 0.98 -2.74 0.19 0.00 -1.03 0.00 0.00 31.31 28.71 1ujs n TRP 12 CO 0.00 0.00 0.00 0.78 -0.03 0.00 0.00 177.69 178.44 1ujs h GLY 13 N 8.74 0.00 0.01 6.99 0.00 -2.03 -3.35 103.07 113.43 1ujs h GLY 13 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1ujs h GLY 13 CO 0.95 0.00 -0.01 -0.33 0.00 0.00 0.00 176.54 177.15 1ujs h MET 14 N 0.00 -0.02 -5.05 4.80 2.86 -2.01 -3.48 114.93 112.03 1ujs h MET 14 Ca -0.01 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.02 1ujs h MET 14 Cb 1.13 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.67 1ujs h MET 14 CO 0.07 -0.01 -0.50 1.03 1.06 0.00 0.00 176.91 178.56 1ujs s ARG 15 N -2.40 2.08 -0.48 1.72 0.52 -1.26 -5.12 118.95 114.00 1ujs s ARG 15 Ca -0.00 -2.31 0.02 0.00 -0.52 0.00 0.00 55.73 52.92 1ujs s ARG 15 Cb 0.00 -0.87 0.13 0.00 0.52 0.00 0.00 34.95 34.72 1ujs s ARG 15 CO 0.01 -0.50 0.24 -2.00 0.02 0.00 0.00 175.30 173.07 1ujs s GLU 16 N -3.73 1.97 -0.59 3.54 2.12 -1.26 -4.41 118.70 116.34 1ujs s GLU 16 Ca 0.15 -2.33 -0.21 0.00 0.36 0.00 0.00 54.97 52.94 1ujs s GLU 16 Cb 0.01 -3.40 0.07 0.00 0.26 0.00 0.00 34.13 31.07 1ujs s GLU 16 CO 0.10 -1.08 0.81 0.71 -0.54 0.00 0.00 175.26 175.27 1ujs s TYR 17 N 0.21 2.87 0.31 5.30 2.02 -1.26 -5.00 117.35 121.79 1ujs s TYR 17 Ca 0.14 -0.59 -0.29 0.00 -0.37 0.00 0.00 57.07 55.96 1ujs s TYR 17 Cb -0.23 -4.02 -0.12 0.00 -0.40 0.00 0.00 41.96 37.19 1ujs s TYR 17 CO -0.03 -1.37 1.41 1.17 -1.57 0.00 0.00 175.55 175.16 1ujs n LYS 18 N 6.94 2.30 -1.86 -0.62 4.81 -1.26 -4.17 118.16 124.30 1ujs n LYS 18 Ca -0.05 0.81 -0.43 0.00 -0.87 0.00 0.00 58.31 57.77 1ujs n LYS 18 Cb 0.45 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 32.99 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 -0.58 3.32 0.09 3.15 -1.09 -1.26 -4.70 121.20 120.13 1ujs s ILE 19 Ca 0.60 0.33 0.09 0.00 -2.23 0.00 0.00 60.65 59.45 1ujs s ILE 19 Cb -0.56 -3.41 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 1ujs s ILE 19 CO 0.56 -0.25 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.47 1ujs s TYR 20 N 7.18 2.11 0.32 3.97 2.02 0.11 -5.01 117.35 128.05 1ujs s TYR 20 Ca 0.87 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.88 1ujs s TYR 20 Cb -0.27 -1.19 -0.10 0.00 -0.40 0.00 0.00 41.96 40.00 1ujs s TYR 20 CO 0.34 0.22 1.23 -1.25 -1.57 0.00 0.00 175.55 174.51 1ujs s PRO 21 N -1.69 4.45 0.23 -1.71 0.04 -1.26 -4.15 135.00 130.91 1ujs s PRO 21 Ca 0.11 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.10 1ujs s PRO 21 Cb -0.10 -3.10 0.35 0.00 0.04 0.00 0.00 34.50 31.70 1ujs s PRO 21 CO 0.04 -0.05 1.62 -0.92 0.04 0.00 0.00 177.00 177.74 1ujs h TYR 22 N 3.51 -0.22 -0.02 0.56 3.20 -1.93 0.25 116.97 122.32 1ujs h TYR 22 Ca -0.48 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1ujs h TYR 22 Cb 1.22 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.70 1ujs h TYR 22 CO 0.57 -0.27 -0.01 1.05 -1.64 0.00 0.00 178.16 177.85 1ujs h GLU 23 N 0.05 -0.00 0.00 1.82 4.11 -1.98 0.40 114.58 118.97 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 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ujs h GLU 23 CO -0.69 -0.00 -0.07 1.37 0.07 0.00 0.00 179.01 179.68 1ujs h LEU 24 N -0.00 0.00 -0.19 3.06 8.10 -1.78 -1.49 115.31 123.00 1ujs h LEU 24 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1ujs h LEU 24 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 1ujs h LEU 24 CO -0.02 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.56 1ujs n LEU 25 N -3.35 0.28 -4.69 0.17 4.77 0.11 -2.77 117.00 111.52 1ujs n LEU 25 Ca -0.01 -0.13 -0.29 0.00 -0.03 0.00 0.00 56.01 55.55 1ujs n LEU 25 Cb 0.24 -0.03 0.17 0.00 -2.33 0.00 0.00 43.42 41.47 1ujs n LEU 25 CO 0.27 0.07 0.65 -0.76 -1.33 0.00 0.00 177.39 176.29 1ujs s LEU 26 N -1.18 1.62 -0.07 2.23 1.43 0.40 -4.64 118.68 118.47 1ujs s LEU 26 Ca 0.11 1.15 0.16 0.00 -1.03 0.00 0.00 54.13 54.52 1ujs s LEU 26 Cb 0.05 -3.34 0.32 0.00 0.03 0.00 0.00 46.19 43.25 1ujs s LEU 26 CO 0.09 -3.10 1.14 0.55 0.23 0.00 0.00 176.35 175.26 1ujs n VAL 27 N -4.15 0.78 -1.63 -1.59 3.14 0.69 -4.73 118.33 110.85 1ujs n VAL 27 Ca 0.05 -1.50 -0.61 0.00 -2.96 0.00 0.00 64.34 59.32 1ujs n VAL 27 Cb 0.58 0.43 -0.08 0.00 -1.06 0.00 0.00 33.84 33.70 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 -0.25 0.04 0.03 1.55 -2.24 -1.26 -4.86 114.28 107.28 1ujs n THR 28 Ca 0.09 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1ujs n THR 28 Cb 0.88 -0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 68.59 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 4.05 1.17 -0.30 4.28 2.02 -1.98 -3.32 112.91 118.82 1ujs h THR 29 Ca -0.47 -0.62 -0.23 0.00 0.77 0.00 0.00 66.41 65.86 1ujs h THR 29 Cb 1.38 1.58 -0.22 0.00 -1.74 0.00 0.00 68.15 69.15 1ujs h THR 29 CO 0.82 0.16 -0.71 -2.11 0.37 0.00 0.00 175.52 174.05 1ujs n ARG 30 N -4.98 2.20 0.00 6.66 -4.01 -1.26 -5.04 116.66 110.23 1ujs n ARG 30 Ca -0.08 -3.52 0.00 0.00 -1.04 0.00 0.00 57.85 53.21 1ujs n ARG 30 Cb 0.16 -1.72 0.00 0.00 -3.04 0.00 0.00 32.46 27.87 1ujs n ARG 30 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1ujs n GLY 31 N -0.79 2.68 2.90 2.89 0.00 -1.25 -5.05 105.19 106.57 1ujs n GLY 31 Ca 0.26 -1.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 1ujs n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujs n ARG 32 N 0.00 3.20 -2.48 1.61 1.74 -1.26 -5.03 116.66 114.44 1ujs n ARG 32 Ca 0.00 -4.85 -0.38 0.00 -0.77 0.00 0.00 57.85 51.84 1ujs n ARG 32 Cb 0.00 -2.24 -0.04 0.00 -1.02 0.00 0.00 32.46 29.16 1ujs n ARG 32 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ujs s ASN 33 N -3.41 6.97 -0.32 0.55 2.20 -1.26 -4.98 114.94 114.68 1ujs s ASN 33 Ca 0.48 2.18 0.10 0.00 -0.94 0.00 0.00 52.86 54.69 1ujs s ASN 33 Cb 0.27 -2.61 0.46 0.00 -2.00 0.00 0.00 41.25 37.37 1ujs s ASN 33 CO -0.13 -0.35 1.14 -1.14 -2.94 0.00 0.00 177.10 173.68 1ujs n ARG 34 N 0.54 3.05 -1.70 3.55 0.00 -1.25 -5.08 116.66 115.77 1ujs n ARG 34 Ca 0.02 -4.06 -0.44 0.00 -0.00 0.00 0.00 57.85 53.37 1ujs n ARG 34 Cb 0.47 -2.07 -0.03 0.00 0.00 0.00 0.00 32.46 30.83 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 -0.58 3.55 0.00 6.15 4.77 -1.12 -4.85 117.00 124.92 1ujs n LEU 35 Ca 0.34 1.10 -0.10 0.00 -0.03 0.00 0.00 56.01 57.31 1ujs n LEU 35 Cb 0.85 -1.49 0.08 0.00 -2.33 0.00 0.00 43.42 40.53 1ujs n LEU 35 CO 0.32 -0.12 0.20 -0.81 -1.33 0.00 0.00 177.39 175.65 1ujs n PRO 36 N 3.15 -1.74 -0.42 3.23 -0.04 -1.26 -4.97 135.00 132.96 1ujs n PRO 36 Ca 0.14 -0.59 0.10 0.00 -0.04 0.00 0.00 63.50 63.12 1ujs n PRO 36 Cb 0.32 -0.55 0.30 0.00 -0.04 0.00 0.00 33.50 33.53 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 -2.63 3.09 -0.16 0.54 2.85 -1.26 -4.20 118.16 116.40 1ujs n LYS 37 Ca 0.05 -2.63 0.06 0.00 -1.05 0.00 0.00 58.31 54.74 1ujs n LYS 37 Cb 0.20 -1.63 0.09 0.00 -0.65 0.00 0.00 35.03 33.04 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 1.17 1.70 -4.88 -5.58 2.03 -1.26 -5.06 116.55 104.68 1ujs n ASP 38 Ca 0.22 -2.66 -0.24 0.00 0.52 0.00 0.00 54.79 52.63 1ujs n ASP 38 Cb 0.68 -0.32 -0.04 0.00 -0.72 0.00 0.00 41.12 40.72 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 -1.94 4.86 -0.40 5.18 -7.23 -1.26 -4.38 120.40 115.23 1ujs s VAL 39 Ca 0.20 -1.01 -0.09 0.00 -1.81 0.00 0.00 61.98 59.27 1ujs s VAL 39 Cb 0.18 -3.54 0.06 0.00 0.56 0.00 0.00 36.38 33.64 1ujs s VAL 39 CO 0.02 -0.19 0.23 -1.81 -0.31 0.00 0.00 175.10 173.04 1ujs s ASP 40 N -3.44 5.61 0.48 4.85 1.11 -1.26 -4.93 116.67 119.09 1ujs s ASP 40 Ca 0.33 -1.37 0.18 0.00 0.18 0.00 0.00 52.55 51.87 1ujs s ASP 40 Cb -0.10 -1.98 0.96 0.00 1.07 0.00 0.00 42.92 42.88 1ujs s ASP 40 CO 0.26 -0.48 1.48 0.03 1.18 0.00 0.00 175.17 177.64 1ujs h ARG 41 N 8.39 0.00 0.00 8.23 -0.00 -1.96 2.09 114.38 131.12 1ujs h ARG 41 Ca -0.23 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.17 1ujs h ARG 41 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.04 1ujs h ARG 41 CO 0.72 0.00 -1.95 0.25 0.00 0.00 0.00 179.97 178.99 1ujs n THR 42 N -2.39 0.27 -1.59 2.04 -2.24 -1.26 -3.13 114.28 105.98 1ujs n THR 42 Ca -0.01 -0.51 0.06 0.00 -2.27 0.00 0.00 64.05 61.33 1ujs n THR 42 Cb 0.42 -0.07 0.15 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.27 1.16 -0.35 -0.78 5.12 0.27 -4.81 116.66 115.00 1ujs n ARG 43 Ca -0.09 -2.73 0.15 0.00 -1.93 0.00 0.00 57.85 53.25 1ujs n ARG 43 Cb 0.63 -1.28 0.36 0.00 -1.16 0.00 0.00 32.46 31.01 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 0.62 0.72 -1.48 0.55 3.38 0.27 0.38 115.31 119.75 1ujs h LEU 44 Ca -0.03 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1ujs h LEU 44 Cb 1.15 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1ujs h LEU 44 CO 0.01 0.20 0.05 1.05 0.09 0.00 0.00 178.44 179.85 1ujs h GLU 45 N 0.67 0.39 0.00 1.13 4.11 -1.84 -0.93 114.58 118.11 1ujs h GLU 45 Ca 0.60 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.98 1ujs h GLU 45 Cb 1.06 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1ujs h GLU 45 CO -0.41 0.38 0.00 0.00 0.07 0.00 0.00 179.01 179.05 1ujs h ARG 46 N 0.39 0.00 -0.00 1.06 3.08 -0.61 -0.90 114.38 117.38 1ujs h ARG 46 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 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 -0.00 0.00 -0.11 0.72 -1.07 0.00 0.00 179.97 179.51 1ujs n HIS 47 N -2.32 0.00 -3.26 3.04 8.25 -0.35 -4.81 115.22 115.77 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 0.15 -0.16 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.42 4.22 0.36 2.41 1.43 -0.35 0.10 118.68 124.43 1ujs s LEU 48 Ca 0.30 0.79 -0.28 0.00 -1.03 0.00 0.00 54.13 53.91 1ujs s LEU 48 Cb 0.20 -2.74 -0.10 0.00 0.03 0.00 0.00 46.19 43.58 1ujs s LEU 48 CO 0.46 -0.09 1.39 -0.94 0.23 0.00 0.00 176.35 177.39 1ujs s SER 49 N 0.88 6.51 0.57 2.29 1.04 -1.26 -4.25 113.70 119.48 1ujs s SER 49 Ca 0.26 2.85 0.28 0.00 0.48 0.00 0.00 55.95 59.82 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 0.11 -0.73 1.26 0.00 0.98 0.00 0.00 173.24 174.86 1ujs n GLN 50 N 0.55 0.01 -0.01 4.02 6.02 -1.26 0.13 117.38 126.84 1ujs n GLN 50 Ca 0.01 0.98 -0.13 0.00 -0.01 0.00 0.00 57.00 57.85 1ujs n GLN 50 Cb 0.41 -2.41 -0.10 0.00 1.02 0.00 0.00 30.24 29.15 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 -0.02 0.00 -1.09 4.39 -1.97 -3.24 114.58 112.65 1ujs h GLU 51 Ca 0.52 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.16 1ujs h GLU 51 Cb 2.89 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 31.54 1ujs h GLU 51 CO -0.01 0.51 -0.39 0.93 -1.16 0.00 0.00 179.01 178.90 1ujs h GLU 52 N -0.57 0.00 -1.46 2.33 5.08 0.77 -3.18 114.58 117.55 1ujs h GLU 52 Ca -0.00 0.00 0.45 0.00 -1.00 0.00 0.00 59.36 58.81 1ujs h GLU 52 Cb 0.54 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 1ujs h GLU 52 CO 0.00 0.62 1.01 0.34 -1.00 0.00 0.00 179.01 179.99 1ujs n PHE 53 N -4.61 0.25 0.08 4.33 -0.00 0.95 0.24 117.46 118.70 1ujs n PHE 53 Ca -0.13 0.25 -0.23 0.00 -0.00 0.00 0.00 57.45 57.34 1ujs n PHE 53 Cb 0.39 -0.67 -0.15 0.00 -0.00 0.00 0.00 39.48 39.05 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 0.74 0.00 -5.13 5.03 -1.57 -2.44 116.97 113.60 1ujs h TYR 54 Ca 0.77 -0.54 0.00 0.00 2.58 0.00 0.00 58.73 61.54 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 1.65 0.00 1.96 -1.32 0.00 0.00 178.16 180.44 1ujs h GLN 55 N 0.07 0.00 0.00 1.82 4.20 0.31 1.93 115.11 123.44 1ujs h GLN 55 Ca -0.32 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.25 1ujs h GLN 55 Cb 2.07 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.83 1ujs h GLN 55 CO 0.18 0.00 -1.34 0.28 -0.67 0.00 0.00 178.83 177.28 1ujs n VAL 56 N -2.47 1.50 0.07 -0.54 0.31 -0.09 -4.66 118.33 112.46 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 0.13 -2.22 -0.14 0.00 -0.91 0.00 0.00 33.84 30.70 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 0.39 0.00 3.52 -1.00 -1.42 -3.49 116.94 113.95 1ujs h PHE 57 Ca -0.20 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 60.30 1ujs h PHE 57 Cb 1.11 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.65 1ujs h PHE 57 CO -0.29 1.28 0.00 0.41 -1.61 0.00 0.00 178.31 178.10 1ujs n GLY 58 N 1.57 1.28 3.84 -1.45 0.00 0.65 -5.04 105.19 106.05 1ujs n GLY 58 Ca -0.11 -0.08 -0.06 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 -0.53 1.77 -0.05 1.61 0.23 -1.19 -4.99 119.30 116.14 1ujs s MET 59 Ca 0.00 -1.13 -0.08 0.00 -1.03 0.00 0.00 55.69 53.45 1ujs s MET 59 Cb 0.00 0.50 -0.05 0.00 -1.53 0.00 0.00 34.83 33.76 1ujs s MET 59 CO 0.00 -0.83 0.24 0.95 -2.03 0.00 0.00 175.02 173.35 1ujs s THR 60 N -2.35 5.33 0.42 3.16 -4.23 -1.26 -3.24 115.64 113.47 1ujs s THR 60 Ca 0.18 0.32 0.29 0.00 -1.18 0.00 0.00 61.69 61.31 1ujs s THR 60 Cb -0.04 -3.53 0.46 0.00 1.34 0.00 0.00 72.50 70.73 1ujs s THR 60 CO 0.08 0.52 1.58 -0.29 -0.54 0.00 0.00 174.62 175.97 1ujs h ILE 61 N 3.57 0.01 -0.85 2.99 6.09 -1.93 1.30 117.51 128.70 1ujs h ILE 61 Ca -0.52 -0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.00 1ujs h ILE 61 Cb 1.22 0.00 -0.05 0.00 0.47 0.00 0.00 36.82 38.45 1ujs h ILE 61 CO 0.62 0.00 0.54 0.28 -3.07 0.00 0.00 178.15 176.52 1ujs h SER 62 N 0.01 0.90 0.62 2.19 0.02 -2.00 -0.35 113.55 114.94 1ujs h SER 62 Ca 0.87 -0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.54 1ujs h SER 62 Cb 2.67 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 65.01 1ujs h SER 62 CO -0.55 0.62 -1.27 -0.33 -1.14 0.00 0.00 176.83 174.16 1ujs h GLU 63 N 1.05 0.27 -0.13 3.45 4.39 0.12 -3.28 114.58 120.45 1ujs h GLU 63 Ca 0.34 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1ujs h GLU 63 Cb 0.02 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1ujs h GLU 63 CO -0.12 1.21 0.08 0.35 -1.16 0.00 0.00 179.01 179.37 1ujs h PHE 64 N 0.07 0.17 0.00 4.33 3.04 -0.60 -1.42 116.94 122.53 1ujs h PHE 64 Ca -0.14 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.81 1ujs h PHE 64 Cb 1.98 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 40.43 1ujs h PHE 64 CO 0.06 0.13 0.00 0.22 -2.02 0.00 0.00 178.31 176.70 1ujs h ASP 65 N 0.16 0.00 -0.19 0.41 1.82 -1.19 0.11 116.42 117.55 1ujs h ASP 65 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1ujs h ASP 65 Cb 0.01 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.02 1ujs h ASP 65 CO -0.01 0.00 0.00 0.54 -1.61 0.00 0.00 179.24 178.16 1ujs n ARG 66 N -2.75 1.76 -2.38 0.28 1.74 -0.54 -4.90 116.66 109.86 1ujs n ARG 66 Ca -0.02 -1.14 -0.25 0.00 -0.77 0.00 0.00 57.85 55.66 1ujs n ARG 66 Cb 0.09 -1.39 0.12 0.00 -1.02 0.00 0.00 32.46 30.26 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 -1.53 2.90 0.19 0.55 1.43 0.38 -5.07 118.68 117.54 1ujs s LEU 67 Ca 0.32 -0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 53.07 1ujs s LEU 67 Cb 0.17 -2.20 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 1ujs s LEU 67 CO 0.26 -2.05 0.77 0.00 0.23 0.00 0.00 176.35 175.55 1ujs s ALA 68 N -3.34 3.42 0.21 4.21 0.00 -1.26 -4.82 121.76 120.18 1ujs s ALA 68 Ca 0.68 0.32 -0.15 0.00 0.00 0.00 0.00 51.96 52.81 1ujs s ALA 68 Cb -0.06 -2.93 0.24 0.00 0.00 0.00 0.00 23.12 20.37 1ujs s ALA 68 CO 0.47 0.30 1.39 -0.11 0.00 0.00 0.00 175.76 177.80 1ujs n LEU 69 N 1.28 -0.55 -0.33 0.00 7.94 -1.26 0.16 117.00 124.24 1ujs n LEU 69 Ca -0.04 1.56 0.05 0.00 -1.11 0.00 0.00 56.01 56.46 1ujs n LEU 69 Cb 0.49 -0.37 0.20 0.00 0.53 0.00 0.00 43.42 44.27 1ujs n LEU 69 CO 0.45 -1.41 1.19 4.11 -1.11 0.00 0.00 177.39 180.62 1ujs h TRP 70 N 0.00 1.00 -0.11 1.96 5.08 -1.96 0.32 115.95 122.24 1ujs h TRP 70 Ca 0.32 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.30 1ujs h TRP 70 Cb 0.55 -0.31 -0.00 0.00 -3.00 0.00 0.00 29.16 26.39 1ujs h TRP 70 CO -0.77 0.41 -0.05 -0.22 -1.28 0.00 0.00 178.44 176.53 1ujs h LYS 71 N 0.90 0.23 0.00 0.12 1.63 0.12 0.88 116.57 120.45 1ujs h LYS 71 Ca 0.44 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 60.10 1ujs h LYS 71 Cb 0.40 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1ujs h LYS 71 CO -0.25 0.57 -0.20 0.00 -3.45 0.00 0.00 179.45 176.12 1ujs h ARG 72 N -0.12 0.00 0.00 1.90 3.08 0.14 0.98 114.38 120.36 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 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1ujs h ARG 72 CO 0.02 0.20 -1.08 0.09 -1.07 0.00 0.00 179.97 178.13 1ujs n ASN 73 N -4.27 0.60 0.01 7.04 3.02 0.11 -3.75 115.26 118.01 1ujs n ASN 73 Ca -0.02 -0.15 -0.22 0.00 -0.03 0.00 0.00 54.58 54.16 1ujs n ASN 73 Cb 0.26 0.83 -0.14 0.00 -0.61 0.00 0.00 39.78 40.12 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 0.24 0.27 3.52 4.81 0.15 -3.29 114.58 120.29 1ujs h GLU 74 Ca 0.00 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1ujs h GLU 74 Cb 0.77 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1ujs h GLU 74 CO 0.00 1.20 -0.13 -0.07 -0.73 0.00 0.00 179.01 179.28 1ujs h LEU 75 N -0.27 -0.31 -0.93 1.64 3.38 -1.01 -2.85 115.31 114.96 1ujs h LEU 75 Ca -0.32 -0.09 0.19 0.00 0.09 0.00 0.00 57.88 57.75 1ujs h LEU 75 Cb 1.79 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 42.51 1ujs h LEU 75 CO 0.05 -0.10 0.50 0.11 0.09 0.00 0.00 178.44 179.10 1ujs h LYS 76 N -0.51 0.59 -0.51 1.13 1.57 -1.75 0.32 116.57 117.41 1ujs h LYS 76 Ca -0.04 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1ujs h LYS 76 Cb 0.38 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1ujs h LYS 76 CO 0.06 0.39 0.34 0.87 -0.57 0.00 0.00 179.45 180.54 1ujs h LYS 77 N 0.61 0.64 0.00 3.15 1.57 -1.58 0.26 116.57 121.22 1ujs h LYS 77 Ca 0.55 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1ujs h LYS 77 Cb 0.90 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1ujs h LYS 77 CO -0.42 0.42 -0.31 1.96 -0.57 0.00 0.00 179.45 180.53 1ujs h GLN 78 N 0.66 0.00 -0.71 3.15 4.20 -0.25 -3.22 115.11 118.95 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 -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1ujs h GLN 78 CO -0.05 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.11 1ujs n ALA 79 N -2.10 2.61 -2.78 3.87 0.00 0.02 -4.93 120.51 117.19 1ujs n ALA 79 Ca 0.03 -1.40 -0.19 0.00 0.00 0.00 0.00 53.44 51.87 1ujs n ALA 79 Cb 0.53 -0.95 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 1.47 -3.06 -0.10 0.00 1.74 -0.13 -4.75 116.66 111.83 1ujs n ARG 80 Ca 0.25 0.74 0.05 0.00 -0.77 0.00 0.00 57.85 58.12 1ujs n ARG 80 Cb 0.71 -5.45 0.10 0.00 -1.02 0.00 0.00 32.46 26.80 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 -3.37 2.45 -4.30 0.55 4.77 0.74 0.25 117.00 118.10 1ujs n LEU 81 Ca -0.13 -2.48 -0.32 0.00 -0.03 0.00 0.00 56.01 53.04 1ujs n LEU 81 Cb 0.62 -0.24 -0.16 0.00 -2.33 0.00 0.00 43.42 41.31 1ujs n LEU 81 CO 0.35 0.62 -0.50 0.12 -1.33 0.00 0.00 177.39 176.65 1ujs s PHE 82 N -1.84 2.69 -0.34 -1.77 5.36 -1.13 -4.37 117.98 116.57 1ujs s PHE 82 Ca 0.19 -0.83 0.11 0.00 -0.96 0.00 0.00 56.93 55.43 1ujs s PHE 82 Cb 0.15 -1.78 0.45 0.00 -0.34 0.00 0.00 43.02 41.51 1ujs s PHE 82 CO 0.04 -0.31 1.11 0.45 -1.46 0.00 0.00 175.22 175.05 1ujs n SER 83 N 3.51 3.71 -3.54 6.13 2.88 -1.18 -4.83 113.62 120.28 1ujs n SER 83 Ca -0.19 -3.28 -0.50 0.00 -1.33 0.00 0.00 58.87 53.57 1ujs n SER 83 Cb 0.53 -0.44 -0.09 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.49 -0.05 0.00 0.46 0.00 -1.26 -4.73 105.19 99.12 1ujs n GLY 84 Ca 0.30 0.88 0.08 0.00 0.00 0.00 0.00 46.02 47.28 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 5.33 0.49 -2.87 1.61 -0.04 -1.26 -4.57 135.00 133.68 1ujs n PRO 85 Ca 0.39 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.42 1ujs n PRO 85 Cb -0.04 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.89 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 -1.99 6.20 0.96 3.54 0.15 -1.26 -5.02 113.70 116.27 1ujs s SER 86 Ca 0.23 -0.90 -0.13 0.00 0.70 0.00 0.00 55.95 55.85 1ujs s SER 86 Cb 0.11 -2.41 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 1ujs s SER 86 CO 0.18 -1.38 0.24 -0.24 1.20 0.00 0.00 173.24 173.24 1ujs n SER 87 N 7.57 -2.61 0.00 5.45 2.88 -1.26 -5.22 113.62 120.43 1ujs n SER 87 Ca -0.03 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1ujs n SER 87 Cb 0.46 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1ujs n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42