#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 6.67 -0.03 1.61 0.15 -1.26 -5.10 113.70 115.74 1ujs s SER 2 Ca 0.00 0.88 0.04 0.00 0.70 0.00 0.00 55.95 57.56 1ujs s SER 2 Cb 0.00 -2.21 -0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1ujs s SER 2 CO 0.00 0.07 -0.15 -0.94 1.20 0.00 0.00 173.24 173.43 1ujs s SER 3 N -2.00 1.85 -0.47 5.45 1.04 -1.26 -5.07 113.70 113.25 1ujs s SER 3 Ca 0.39 -0.30 0.09 0.00 0.48 0.00 0.00 55.95 56.61 1ujs s SER 3 Cb -0.13 -0.46 0.34 0.00 0.10 0.00 0.00 66.02 65.87 1ujs s SER 3 CO 0.20 0.13 0.83 0.61 0.98 0.00 0.00 173.24 176.00 1ujs n GLY 4 N 3.12 4.56 3.36 7.32 0.00 -1.26 -5.00 105.19 117.29 1ujs n GLY 4 Ca -0.18 -2.22 -0.45 0.00 0.00 0.00 0.00 46.02 43.17 1ujs n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujs s SER 5 N -2.91 7.14 -0.11 1.61 0.15 -1.26 -5.00 113.70 113.32 1ujs s SER 5 Ca 0.44 -3.24 0.03 0.00 0.70 0.00 0.00 55.95 53.88 1ujs s SER 5 Cb 0.31 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1ujs s SER 5 CO -0.11 -0.45 -0.23 -0.55 1.20 0.00 0.00 173.24 173.10 1ujs s SER 6 N 1.83 3.12 0.00 5.45 0.15 -1.26 -5.03 113.70 117.96 1ujs s SER 6 Ca 0.30 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1ujs s SER 6 Cb -0.09 -1.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 1ujs s SER 6 CO -0.07 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1ujs n GLY 7 N 3.68 0.18 3.56 9.45 0.00 -1.26 -4.92 105.19 115.87 1ujs n GLY 7 Ca -0.19 -2.31 -0.33 0.00 0.00 0.00 0.00 46.02 43.19 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 -3.98 5.70 -0.26 1.61 4.22 -1.26 -4.87 114.94 116.11 1ujs s ASN 8 Ca 0.00 -0.90 -0.26 0.00 -2.14 0.00 0.00 52.86 49.56 1ujs s ASN 8 Cb 0.00 -2.56 0.13 0.00 1.28 0.00 0.00 41.25 40.10 1ujs s ASN 8 CO 0.00 -2.23 1.06 0.00 -2.04 0.00 0.00 177.10 173.89 1ujs s ALA 9 N 7.94 -1.98 0.03 3.54 0.00 -1.26 -4.74 121.76 125.28 1ujs s ALA 9 Ca 0.60 1.81 -0.28 0.00 0.00 0.00 0.00 51.96 54.08 1ujs s ALA 9 Cb -0.05 -1.32 -0.15 0.00 0.00 0.00 0.00 23.12 21.60 1ujs s ALA 9 CO -0.02 -0.24 0.72 1.33 0.00 0.00 0.00 175.76 177.54 1ujs n VAL 10 N 1.88 0.29 -1.11 0.00 0.24 -1.26 -4.82 118.33 113.55 1ujs n VAL 10 Ca -0.12 -0.07 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 1ujs n VAL 10 Cb 0.56 0.00 0.27 0.00 -1.47 0.00 0.00 33.84 33.20 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 1.19 4.52 -0.10 -1.34 5.03 -1.26 -4.71 115.26 118.59 1ujs n ASN 11 Ca 0.15 -3.35 -0.06 0.00 0.87 0.00 0.00 54.58 52.18 1ujs n ASN 11 Cb 0.08 -0.78 -0.05 0.00 -1.02 0.00 0.00 39.78 38.02 1ujs n ASN 11 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 1ujs h TRP 12 N 2.16 -0.84 0.00 3.10 4.06 -1.88 -3.47 115.95 119.09 1ujs h TRP 12 Ca 0.39 0.05 0.00 0.00 2.06 0.00 0.00 58.89 61.38 1ujs h TRP 12 Cb 2.52 0.40 0.00 0.00 -1.00 0.00 0.00 29.16 31.08 1ujs h TRP 12 CO 1.40 -0.22 0.00 0.41 -3.56 0.00 0.00 178.44 176.47 1ujs n GLY 13 N -1.16 2.57 0.32 1.49 0.00 -1.26 -4.92 105.19 102.23 1ujs n GLY 13 Ca -0.01 -0.72 -0.00 0.00 0.00 0.00 0.00 46.02 45.28 1ujs n GLY 13 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ujs h MET 14 N 0.00 -0.05 0.00 1.61 2.86 -2.00 -3.43 114.93 113.92 1ujs h MET 14 Ca 0.00 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.21 1ujs h MET 14 Cb 0.00 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.57 1ujs h MET 14 CO 0.00 -0.03 -0.39 0.54 1.06 0.00 0.00 176.91 178.09 1ujs n ARG 15 N -5.49 0.52 -3.88 1.72 1.74 -1.26 -5.12 116.66 104.90 1ujs n ARG 15 Ca 0.09 -2.83 -0.30 0.00 -0.77 0.00 0.00 57.85 54.04 1ujs n ARG 15 Cb 0.39 1.82 -0.14 0.00 -1.02 0.00 0.00 32.46 33.51 1ujs n ARG 15 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ujs s GLU 16 N -3.23 1.67 -0.54 5.56 2.12 -1.26 -4.67 118.70 118.35 1ujs s GLU 16 Ca 0.23 -2.30 -0.21 0.00 0.36 0.00 0.00 54.97 53.05 1ujs s GLU 16 Cb 0.01 -2.96 0.05 0.00 0.26 0.00 0.00 34.13 31.50 1ujs s GLU 16 CO 0.16 -1.10 0.79 0.71 -0.54 0.00 0.00 175.26 175.28 1ujs s TYR 17 N 0.10 2.91 0.23 5.30 2.02 -1.26 -4.99 117.35 121.66 1ujs s TYR 17 Ca 0.16 -0.34 -0.31 0.00 -0.37 0.00 0.00 57.07 56.21 1ujs s TYR 17 Cb -0.24 -3.85 -0.11 0.00 -0.40 0.00 0.00 41.96 37.36 1ujs s TYR 17 CO -0.02 -1.23 1.56 0.21 -1.57 0.00 0.00 175.55 174.50 1ujs s LYS 18 N 3.31 4.19 -0.20 -0.62 2.20 -1.26 -4.08 119.74 123.27 1ujs s LYS 18 Ca 0.22 2.44 -0.29 0.00 -0.36 0.00 0.00 55.97 57.97 1ujs s LYS 18 Cb -0.16 -3.10 -0.06 0.00 -1.51 0.00 0.00 37.83 33.00 1ujs s LYS 18 CO 0.14 -0.58 2.19 -0.89 -0.36 0.00 0.00 175.35 175.85 1ujs n ILE 19 N 3.07 0.37 -4.43 5.43 2.08 -1.26 -4.76 119.36 119.86 1ujs n ILE 19 Ca 0.11 -0.41 -0.26 0.00 0.56 0.00 0.00 62.75 62.74 1ujs n ILE 19 Cb 0.38 -2.45 -0.13 0.00 -0.75 0.00 0.00 39.64 36.69 1ujs n ILE 19 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1ujs s TYR 20 N 7.81 2.01 0.37 1.39 2.02 0.11 -5.01 117.35 126.06 1ujs s TYR 20 Ca 1.01 -0.40 -0.26 0.00 -0.37 0.00 0.00 57.07 57.04 1ujs s TYR 20 Cb -0.40 -1.12 -0.09 0.00 -0.40 0.00 0.00 41.96 39.95 1ujs s TYR 20 CO 0.37 0.23 1.20 -1.25 -1.57 0.00 0.00 175.55 174.53 1ujs s PRO 21 N -1.79 4.17 0.23 -1.71 0.04 -1.26 -4.20 135.00 130.48 1ujs s PRO 21 Ca 0.10 1.94 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 1ujs s PRO 21 Cb -0.10 -2.82 0.41 0.00 0.04 0.00 0.00 34.50 32.02 1ujs s PRO 21 CO 0.04 -0.25 1.70 -0.92 0.04 0.00 0.00 177.00 177.61 1ujs h TYR 22 N 2.93 0.27 -0.26 0.56 5.03 -1.92 0.23 116.97 123.80 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 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.46 1ujs h TYR 22 CO 0.55 -0.06 -0.22 1.05 -1.32 0.00 0.00 178.16 178.17 1ujs h GLU 23 N 0.28 -0.08 0.00 1.82 4.11 -1.99 0.24 114.58 118.96 1ujs h GLU 23 Ca 0.38 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.80 1ujs h GLU 23 Cb 0.62 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ujs h GLU 23 CO -0.47 -0.05 -0.09 1.37 0.07 0.00 0.00 179.01 179.84 1ujs h LEU 24 N -0.08 0.00 -0.30 3.06 8.10 -1.83 -2.17 115.31 122.09 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 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.41 1ujs h LEU 24 CO -0.29 0.09 0.00 0.18 -4.11 0.00 0.00 178.44 174.31 1ujs n LEU 25 N -3.27 0.44 -4.70 0.17 4.77 0.78 -2.82 117.00 112.37 1ujs n LEU 25 Ca -0.00 -0.22 -0.29 0.00 -0.03 0.00 0.00 56.01 55.47 1ujs n LEU 25 Cb 0.31 -0.05 0.17 0.00 -2.33 0.00 0.00 43.42 41.52 1ujs n LEU 25 CO 0.29 0.11 0.66 -0.76 -1.33 0.00 0.00 177.39 176.35 1ujs s LEU 26 N -1.03 1.65 -0.19 2.23 1.43 0.11 -4.62 118.68 118.27 1ujs s LEU 26 Ca 0.07 1.12 0.19 0.00 -1.03 0.00 0.00 54.13 54.47 1ujs s LEU 26 Cb 0.03 -3.32 0.47 0.00 0.03 0.00 0.00 46.19 43.40 1ujs s LEU 26 CO 0.05 -3.03 1.16 0.55 0.23 0.00 0.00 176.35 175.30 1ujs n VAL 27 N -4.10 1.29 -1.69 -1.59 3.14 0.68 -4.77 118.33 111.28 1ujs n VAL 27 Ca 0.05 -2.67 -0.52 0.00 -2.96 0.00 0.00 64.34 58.24 1ujs n VAL 27 Cb 0.58 0.53 -0.06 0.00 -1.06 0.00 0.00 33.84 33.83 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 -0.38 0.46 0.18 1.55 -2.24 -1.26 -4.89 114.28 107.70 1ujs n THR 28 Ca 0.16 -0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.74 1ujs n THR 28 Cb 0.92 -1.59 -0.07 0.00 -2.10 0.00 0.00 70.33 67.49 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 5.35 0.41 -0.72 4.28 2.02 -1.98 -3.34 112.91 118.93 1ujs h THR 29 Ca -0.48 -0.65 -0.50 0.00 0.77 0.00 0.00 66.41 65.56 1ujs h THR 29 Cb 1.29 0.63 -0.31 0.00 -1.74 0.00 0.00 68.15 68.02 1ujs h THR 29 CO 0.95 0.08 -0.18 -2.11 0.37 0.00 0.00 175.52 174.64 1ujs n ARG 30 N -5.15 2.93 0.00 6.66 1.85 -1.26 -4.95 116.66 116.74 1ujs n ARG 30 Ca -0.09 -3.69 0.00 0.00 -1.00 0.00 0.00 57.85 53.07 1ujs n ARG 30 Cb 0.27 -2.17 0.00 0.00 -1.05 0.00 0.00 32.46 29.51 1ujs n ARG 30 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ujs n GLY 31 N -0.87 1.94 2.78 2.89 0.00 -1.25 -5.13 105.19 105.54 1ujs n GLY 31 Ca 0.47 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.31 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 3.40 0.26 -0.01 1.61 1.81 -1.26 -5.06 118.95 119.71 1ujs s ARG 32 Ca 0.00 0.15 0.08 0.00 -1.72 0.00 0.00 55.73 54.24 1ujs s ARG 32 Cb 0.00 -0.91 -0.02 0.00 -0.45 0.00 0.00 34.95 33.57 1ujs s ARG 32 CO 0.00 -0.77 -0.26 0.54 -0.68 0.00 0.00 175.30 174.13 1ujs s ASN 33 N 2.37 3.04 -0.32 0.23 2.20 -1.26 -4.88 114.94 116.32 1ujs s ASN 33 Ca 0.09 -0.49 0.07 0.00 -0.94 0.00 0.00 52.86 51.59 1ujs s ASN 33 Cb -0.15 -0.32 0.48 0.00 -2.00 0.00 0.00 41.25 39.25 1ujs s ASN 33 CO -0.19 0.30 1.43 0.54 -2.94 0.00 0.00 177.10 176.24 1ujs n ARG 34 N 2.30 2.34 -1.61 3.55 3.00 -1.26 -5.05 116.66 119.94 1ujs n ARG 34 Ca -0.16 -3.47 -0.52 0.00 -0.01 0.00 0.00 57.85 53.69 1ujs n ARG 34 Cb 0.51 -1.96 -0.06 0.00 0.00 0.00 0.00 32.46 30.95 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 -1.00 1.84 0.00 0.55 4.77 -1.13 -4.91 117.00 117.12 1ujs n LEU 35 Ca 0.38 1.11 -0.14 0.00 -0.03 0.00 0.00 56.01 57.33 1ujs n LEU 35 Cb 0.94 -1.20 0.12 0.00 -2.33 0.00 0.00 43.42 40.95 1ujs n LEU 35 CO 0.28 -0.92 0.29 -0.81 -1.33 0.00 0.00 177.39 174.89 1ujs n PRO 36 N 2.90 -2.03 -0.42 3.23 -0.04 -1.26 -4.96 135.00 132.41 1ujs n PRO 36 Ca 0.19 -0.82 0.11 0.00 -0.04 0.00 0.00 63.50 62.93 1ujs n PRO 36 Cb 0.19 -0.77 0.32 0.00 -0.04 0.00 0.00 33.50 33.20 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 -3.09 3.00 -0.12 0.54 2.85 -1.26 -4.14 118.16 115.94 1ujs n LYS 37 Ca 0.07 -2.68 0.06 0.00 -1.05 0.00 0.00 58.31 54.72 1ujs n LYS 37 Cb 0.28 -1.63 0.09 0.00 -0.65 0.00 0.00 35.03 33.12 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 1.85 -4.86 -5.58 2.03 -1.26 -5.05 116.55 105.10 1ujs n ASP 38 Ca 0.24 -2.67 -0.26 0.00 0.52 0.00 0.00 54.79 52.62 1ujs n ASP 38 Cb 0.68 -0.31 -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 -2.03 4.81 -0.37 5.18 -7.23 -1.26 -4.36 120.40 115.14 1ujs s VAL 39 Ca 0.21 -0.94 -0.08 0.00 -1.81 0.00 0.00 61.98 59.36 1ujs s VAL 39 Cb 0.18 -3.47 0.05 0.00 0.56 0.00 0.00 36.38 33.70 1ujs s VAL 39 CO 0.02 -0.11 0.17 -0.62 -0.31 0.00 0.00 175.10 174.25 1ujs s ASP 40 N -3.17 5.51 0.33 4.85 -1.08 -1.26 -4.94 116.67 116.91 1ujs s ASP 40 Ca 0.32 -1.19 0.14 0.00 -0.52 0.00 0.00 52.55 51.30 1ujs s ASP 40 Cb -0.10 -1.94 0.77 0.00 -1.46 0.00 0.00 42.92 40.18 1ujs s ASP 40 CO 0.25 -0.39 1.34 0.54 0.52 0.00 0.00 175.17 177.43 1ujs n ARG 41 N 4.89 0.10 -0.04 4.34 3.00 -1.26 0.17 116.66 127.85 1ujs n ARG 41 Ca -0.12 0.58 0.02 0.00 -0.01 0.00 0.00 57.85 58.32 1ujs n ARG 41 Cb 0.45 -2.08 -0.15 0.00 0.00 0.00 0.00 32.46 30.68 1ujs n ARG 41 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1ujs n THR 42 N -2.08 0.52 -1.70 0.55 -2.24 -1.26 -3.22 114.28 104.84 1ujs n THR 42 Ca -0.01 -0.57 0.06 0.00 -2.27 0.00 0.00 64.05 61.26 1ujs n THR 42 Cb 0.29 -0.19 0.17 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.38 1.26 -0.35 -0.78 5.12 0.18 -4.81 116.66 114.92 1ujs n ARG 43 Ca -0.14 -2.97 0.13 0.00 -1.93 0.00 0.00 57.85 52.93 1ujs n ARG 43 Cb 0.75 -1.32 0.32 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 0.88 0.78 -1.40 0.55 3.38 0.15 0.19 115.31 119.84 1ujs h LEU 44 Ca -0.04 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ujs h LEU 44 Cb 1.16 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1ujs h LEU 44 CO 0.02 0.30 0.16 1.05 0.09 0.00 0.00 178.44 180.06 1ujs h GLU 45 N 0.77 0.57 0.00 1.13 4.11 -1.84 -0.98 114.58 118.34 1ujs h GLU 45 Ca 0.56 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1ujs h GLU 45 Cb 0.86 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1ujs h GLU 45 CO -0.35 0.48 0.00 0.00 0.07 0.00 0.00 179.01 179.21 1ujs h ARG 46 N 0.57 0.00 -0.00 1.06 3.08 -1.00 -0.53 114.38 117.56 1ujs h ARG 46 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1ujs h ARG 46 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1ujs h ARG 46 CO -0.01 0.00 -0.01 0.72 -1.07 0.00 0.00 179.97 179.60 1ujs n HIS 47 N -2.71 0.00 -3.41 3.04 8.25 -0.37 -4.77 115.22 115.25 1ujs n HIS 47 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 1ujs n HIS 47 Cb 0.15 -0.02 -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 -2.04 4.10 0.39 2.41 1.43 -0.21 0.05 118.68 124.81 1ujs s LEU 48 Ca 0.44 0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 53.65 1ujs s LEU 48 Cb 0.22 -2.44 -0.11 0.00 0.03 0.00 0.00 46.19 43.88 1ujs s LEU 48 CO 0.37 -0.11 1.48 -1.54 0.23 0.00 0.00 176.35 176.77 1ujs n SER 49 N 4.83 3.70 -0.26 2.29 3.41 -1.26 -4.13 113.62 122.20 1ujs n SER 49 Ca -0.09 1.21 0.29 0.00 -0.26 0.00 0.00 58.87 60.03 1ujs n SER 49 Cb 0.51 -1.62 0.45 0.00 -0.26 0.00 0.00 64.21 63.30 1ujs n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ujs n GLN 50 N 0.34 0.01 -0.01 4.33 6.02 -1.26 0.12 117.38 126.94 1ujs n GLN 50 Ca 0.02 0.99 -0.13 0.00 -0.01 0.00 0.00 57.00 57.87 1ujs n GLN 50 Cb 0.39 -2.44 -0.10 0.00 1.02 0.00 0.00 30.24 29.11 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 -0.04 0.00 -1.09 5.08 -1.98 -3.26 114.58 113.29 1ujs h GLU 51 Ca 0.52 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.85 1ujs h GLU 51 Cb 2.91 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 32.17 1ujs h GLU 51 CO -0.01 0.54 -0.20 0.93 -1.00 0.00 0.00 179.01 179.28 1ujs h GLU 52 N -0.66 0.00 -1.36 2.33 5.08 0.63 -3.14 114.58 117.46 1ujs h GLU 52 Ca -0.00 0.00 0.43 0.00 -1.00 0.00 0.00 59.36 58.78 1ujs h GLU 52 Cb 0.60 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.76 1ujs h GLU 52 CO 0.01 0.65 0.93 0.34 -1.00 0.00 0.00 179.01 179.94 1ujs n PHE 53 N -4.64 0.31 0.08 4.33 -0.00 0.11 0.24 117.46 117.90 1ujs n PHE 53 Ca -0.10 0.32 -0.23 0.00 -0.00 0.00 0.00 57.45 57.44 1ujs n PHE 53 Cb 0.36 -0.73 -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 0.74 0.00 -5.13 5.03 -1.59 -2.46 116.97 113.55 1ujs h TYR 54 Ca 0.75 -0.54 0.00 0.00 2.58 0.00 0.00 58.73 61.52 1ujs h TYR 54 Cb 2.69 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 40.94 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 0.05 0.00 0.00 1.82 4.20 0.32 1.92 115.11 123.42 1ujs h GLN 55 Ca -0.32 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.28 1ujs h GLN 55 Cb 2.06 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 -1.22 0.28 -0.67 0.00 0.00 178.83 177.40 1ujs n VAL 56 N -2.52 1.49 0.08 -0.54 0.31 0.07 -4.64 118.33 112.57 1ujs n VAL 56 Ca -0.00 0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.23 1ujs n VAL 56 Cb 0.14 -2.25 -0.14 0.00 -0.91 0.00 0.00 33.84 30.69 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 -3.49 116.94 113.90 1ujs h PHE 57 Ca -0.16 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 60.36 1ujs h PHE 57 Cb 1.04 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.59 1ujs h PHE 57 CO -0.28 1.24 0.00 0.41 -1.61 0.00 0.00 178.31 178.06 1ujs n GLY 58 N 1.54 1.32 3.82 -1.45 0.00 0.65 -5.04 105.19 106.03 1ujs n GLY 58 Ca -0.10 -0.09 -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 -0.63 1.51 0.01 1.61 0.23 -1.18 -4.99 119.30 115.85 1ujs s MET 59 Ca 0.00 -0.91 -0.13 0.00 -1.03 0.00 0.00 55.69 53.62 1ujs s MET 59 Cb 0.00 0.46 -0.06 0.00 -1.53 0.00 0.00 34.83 33.71 1ujs s MET 59 CO 0.00 -0.70 0.39 0.95 -2.03 0.00 0.00 175.02 173.63 1ujs s THR 60 N -2.81 5.08 0.36 3.16 -4.23 -1.26 -3.29 115.64 112.64 1ujs s THR 60 Ca 0.16 0.69 0.20 0.00 -1.18 0.00 0.00 61.69 61.56 1ujs s THR 60 Cb -0.03 -3.67 0.34 0.00 1.34 0.00 0.00 72.50 70.48 1ujs s THR 60 CO 0.06 0.50 1.52 0.00 -0.54 0.00 0.00 174.62 176.16 1ujs n ILE 61 N 1.58 -0.41 -0.30 2.99 0.13 -1.26 0.17 119.36 122.27 1ujs n ILE 61 Ca -0.13 1.96 0.00 0.00 -1.10 0.00 0.00 62.75 63.48 1ujs n ILE 61 Cb 0.53 -3.18 0.13 0.00 -0.84 0.00 0.00 39.64 36.27 1ujs n ILE 61 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1ujs h SER 62 N 0.00 0.82 0.57 9.51 0.02 -2.00 -0.64 113.55 121.84 1ujs h SER 62 Ca 0.82 0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 61.53 1ujs h SER 62 Cb 2.17 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.55 1ujs h SER 62 CO -0.74 0.53 -1.15 -0.33 -1.14 0.00 0.00 176.83 174.00 1ujs h GLU 63 N 0.96 0.29 -0.11 3.45 4.39 0.14 -3.28 114.58 120.42 1ujs h GLU 63 Ca 0.36 -0.44 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1ujs h GLU 63 Cb 0.15 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1ujs h GLU 63 CO -0.16 1.18 0.05 0.35 -1.16 0.00 0.00 179.01 179.27 1ujs h PHE 64 N 0.11 0.10 0.00 4.33 3.57 -0.37 -0.89 116.94 123.78 1ujs h PHE 64 Ca -0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1ujs h PHE 64 Cb 1.86 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.57 1ujs h PHE 64 CO 0.06 0.06 0.00 -0.25 -2.23 0.00 0.00 178.31 175.95 1ujs n ASP 65 N -5.04 0.37 -0.78 0.41 9.92 -0.30 -0.59 116.55 120.54 1ujs n ASP 65 Ca -0.05 0.65 0.11 0.00 -0.53 0.00 0.00 54.79 54.97 1ujs n ASP 65 Cb 0.04 -0.70 0.31 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 -1.97 2.03 -2.38 -1.24 1.74 -0.35 -4.93 116.66 109.56 1ujs n ARG 66 Ca 0.00 -1.54 -0.25 0.00 -0.77 0.00 0.00 57.85 55.29 1ujs n ARG 66 Cb 0.07 -1.44 0.12 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 -1.61 2.91 0.23 0.55 1.43 0.25 -5.06 118.68 117.37 1ujs s LEU 67 Ca 0.34 -0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 53.10 1ujs s LEU 67 Cb 0.20 -2.27 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 1ujs s LEU 67 CO 0.29 -1.98 0.86 0.00 0.23 0.00 0.00 176.35 175.75 1ujs s ALA 68 N -3.31 3.36 0.21 4.21 0.00 -1.26 -4.80 121.76 120.17 1ujs s ALA 68 Ca 0.67 0.47 -0.14 0.00 0.00 0.00 0.00 51.96 52.95 1ujs s ALA 68 Cb -0.06 -3.08 0.24 0.00 0.00 0.00 0.00 23.12 20.22 1ujs s ALA 68 CO 0.46 0.24 1.35 -0.11 0.00 0.00 0.00 175.76 177.70 1ujs n LEU 69 N 1.29 -0.53 -0.33 0.00 7.94 -1.26 0.17 117.00 124.29 1ujs n LEU 69 Ca -0.03 1.51 0.04 0.00 -1.11 0.00 0.00 56.01 56.43 1ujs n LEU 69 Cb 0.49 -0.36 0.19 0.00 0.53 0.00 0.00 43.42 44.26 1ujs n LEU 69 CO 0.47 -1.37 1.20 4.11 -1.11 0.00 0.00 177.39 180.68 1ujs h TRP 70 N 0.00 1.02 -0.12 1.96 5.08 -1.96 0.32 115.95 122.25 1ujs h TRP 70 Ca 0.32 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.29 1ujs h TRP 70 Cb 0.54 -0.32 -0.00 0.00 -3.00 0.00 0.00 29.16 26.37 1ujs h TRP 70 CO -0.75 0.44 -0.05 -0.22 -1.28 0.00 0.00 178.44 176.59 1ujs h LYS 71 N 0.94 0.24 0.00 0.12 1.63 0.14 1.12 116.57 120.76 1ujs h LYS 71 Ca 0.43 -0.10 -0.05 0.00 -0.85 0.00 0.00 60.65 60.08 1ujs h LYS 71 Cb 0.35 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1ujs h LYS 71 CO -0.23 0.57 -0.22 0.00 -3.45 0.00 0.00 179.45 176.12 1ujs h ARG 72 N -0.09 0.00 0.00 1.90 3.08 0.12 0.12 114.38 119.50 1ujs h ARG 72 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ujs h ARG 72 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1ujs h ARG 72 CO 0.02 0.22 -1.13 0.09 -1.07 0.00 0.00 179.97 178.09 1ujs n ASN 73 N -4.22 0.58 -0.00 7.04 3.02 0.11 -3.87 115.26 117.92 1ujs n ASN 73 Ca -0.02 -0.21 -0.22 0.00 -0.03 0.00 0.00 54.58 54.10 1ujs n ASN 73 Cb 0.28 0.92 -0.14 0.00 -0.61 0.00 0.00 39.78 40.24 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 0.23 0.40 3.52 4.57 0.19 -3.31 114.58 120.18 1ujs h GLU 74 Ca 0.00 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.77 1ujs h GLU 74 Cb 0.76 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1ujs h GLU 74 CO 0.00 1.19 -0.19 -0.07 -1.18 0.00 0.00 179.01 178.76 1ujs h LEU 75 N -0.28 -0.45 -1.26 1.64 3.38 -0.97 -2.56 115.31 114.82 1ujs h LEU 75 Ca -0.34 -0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.86 1ujs h LEU 75 Cb 1.79 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 42.56 1ujs h LEU 75 CO 0.04 -0.30 0.63 0.11 0.09 0.00 0.00 178.44 179.01 1ujs h LYS 76 N -0.56 0.51 -0.30 1.13 1.57 -1.76 0.45 116.57 117.61 1ujs h LYS 76 Ca -0.05 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1ujs h LYS 76 Cb 0.43 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1ujs h LYS 76 CO 0.09 0.34 0.03 0.87 -0.57 0.00 0.00 179.45 180.21 1ujs h LYS 77 N 0.52 0.44 0.00 3.15 1.57 -1.55 0.31 116.57 121.02 1ujs h LYS 77 Ca 0.57 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1ujs h LYS 77 Cb 1.23 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1ujs h LYS 77 CO -0.31 0.45 -0.46 1.96 -0.57 0.00 0.00 179.45 180.51 1ujs h GLN 78 N 0.43 0.00 -0.70 3.15 4.20 0.05 -3.25 115.11 119.00 1ujs h GLN 78 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1ujs h GLN 78 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 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 2.37 -2.43 3.87 0.00 -0.06 -4.93 120.51 117.30 1ujs n ALA 79 Ca 0.03 -1.30 -0.17 0.00 0.00 0.00 0.00 53.44 52.00 1ujs n ALA 79 Cb 0.50 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 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 1.55 -1.97 -0.14 0.00 1.74 -0.29 -4.73 116.66 112.82 1ujs n ARG 80 Ca 0.23 0.84 0.06 0.00 -0.77 0.00 0.00 57.85 58.21 1ujs n ARG 80 Cb 0.61 -5.49 0.12 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 -2.95 2.65 -4.38 0.55 4.77 0.95 0.25 117.00 118.83 1ujs n LEU 81 Ca -0.20 -2.50 -0.33 0.00 -0.03 0.00 0.00 56.01 52.95 1ujs n LEU 81 Cb 0.66 -0.27 -0.14 0.00 -2.33 0.00 0.00 43.42 41.33 1ujs n LEU 81 CO 0.25 0.64 -0.43 0.12 -1.33 0.00 0.00 177.39 176.64 1ujs s PHE 82 N -1.87 2.86 -0.08 -1.77 2.19 -1.02 -4.41 117.98 113.87 1ujs s PHE 82 Ca 0.22 -0.62 0.16 0.00 0.33 0.00 0.00 56.93 57.02 1ujs s PHE 82 Cb 0.17 -1.88 0.33 0.00 -1.31 0.00 0.00 43.02 40.33 1ujs s PHE 82 CO 0.06 -0.21 1.15 0.45 1.83 0.00 0.00 175.22 178.50 1ujs n SER 83 N 3.62 1.23 -1.94 6.13 2.88 -1.20 -4.85 113.62 119.50 1ujs n SER 83 Ca -0.18 -2.74 -0.01 0.00 -1.33 0.00 0.00 58.87 54.61 1ujs n SER 83 Cb 0.52 -0.37 -0.01 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.35 -3.68 0.00 0.46 0.00 -1.26 -4.84 105.19 95.52 1ujs n GLY 84 Ca 0.10 0.29 0.06 0.00 0.00 0.00 0.00 46.02 46.47 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 0.50 0.49 -3.48 1.61 -0.04 -1.26 -4.67 135.00 128.15 1ujs n PRO 85 Ca -0.10 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.98 1ujs n PRO 85 Cb 0.15 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.16 1ujs n PRO 85 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ujs s SER 86 N -1.88 6.34 0.15 3.54 0.01 -1.26 -5.08 113.70 115.53 1ujs s SER 86 Ca 0.17 0.39 0.04 0.00 1.31 0.00 0.00 55.95 57.87 1ujs s SER 86 Cb 0.08 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 1ujs s SER 86 CO 0.13 -0.03 0.15 -0.55 0.41 0.00 0.00 173.24 173.36 1ujs s SER 87 N 1.03 5.64 0.00 2.44 0.15 -1.26 -5.19 113.70 116.51 1ujs s SER 87 Ca 0.15 -0.08 0.16 0.00 0.70 0.00 0.00 55.95 56.89 1ujs s SER 87 Cb -0.14 -1.51 0.13 0.00 -1.71 0.00 0.00 66.02 62.78 1ujs s SER 87 CO 0.07 0.08 1.01 0.61 1.20 0.00 0.00 173.24 176.20