#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukk s VAL 3 N 0.00 1.87 -0.01 0.52 1.01 -1.26 -5.13 120.40 117.40 1ukk s VAL 3 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1ukk s VAL 3 Cb 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1ukk s VAL 3 CO 0.00 0.51 0.01 -0.13 0.00 0.00 0.00 175.10 175.49 1ukk s ARG 4 N 1.23 2.83 0.09 2.72 1.81 -1.26 -5.11 118.95 121.26 1ukk s ARG 4 Ca 0.02 -0.58 0.07 0.00 -1.72 0.00 0.00 55.73 53.52 1ukk s ARG 4 Cb -0.14 -2.70 -0.03 0.00 -0.45 0.00 0.00 34.95 31.63 1ukk s ARG 4 CO -0.09 0.63 -0.18 0.15 -0.68 0.00 0.00 175.30 175.13 1ukk s LYS 5 N -1.50 1.00 0.33 3.54 1.02 -1.26 -5.15 119.74 117.72 1ukk s LYS 5 Ca 0.19 -1.09 -0.12 0.00 0.02 0.00 0.00 55.97 54.96 1ukk s LYS 5 Cb -0.12 -1.14 0.02 0.00 -0.52 0.00 0.00 37.83 36.07 1ukk s LYS 5 CO 0.10 0.26 0.63 0.00 -0.92 0.00 0.00 175.35 175.42 1ukk s ALA 6 N -1.28 -0.31 0.07 5.17 0.00 -1.26 -3.39 121.76 120.76 1ukk s ALA 6 Ca 0.04 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 1ukk s ALA 6 Cb -0.10 0.91 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 1ukk s ALA 6 CO 0.03 -0.92 0.15 -1.59 0.00 0.00 0.00 175.76 173.43 1ukk s LYS 7 N -3.11 0.76 -0.04 0.00 -2.85 -0.72 -4.98 119.74 108.79 1ukk s LYS 7 Ca 0.20 -0.94 -0.04 0.00 -1.00 0.00 0.00 55.97 54.19 1ukk s LYS 7 Cb -0.03 0.30 0.01 0.00 -2.06 0.00 0.00 37.83 36.05 1ukk s LYS 7 CO 0.13 -0.22 0.11 0.00 0.10 0.00 0.00 175.35 175.47 1ukk s ALA 8 N -3.57 -0.28 -0.08 0.59 0.00 -1.26 -0.47 121.76 116.69 1ukk s ALA 8 Ca 0.03 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.27 1ukk s ALA 8 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 1ukk s ALA 8 CO -0.09 -0.08 -0.24 0.08 0.00 0.00 0.00 175.76 175.43 1ukk s VAL 9 N -0.17 2.03 -0.06 0.00 1.01 -0.12 -4.98 120.40 118.10 1ukk s VAL 9 Ca -0.02 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 60.98 1ukk s VAL 9 Cb -0.02 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1ukk s VAL 9 CO 0.00 0.56 -0.22 0.86 0.00 0.00 0.00 175.10 176.30 1ukk s TRP 10 N 0.14 2.25 -0.05 5.22 -0.11 -1.26 -1.15 118.94 123.97 1ukk s TRP 10 Ca -0.12 -0.73 0.06 0.00 1.22 0.00 0.00 56.10 56.53 1ukk s TRP 10 Cb -0.16 -1.49 -0.01 0.00 -1.50 0.00 0.00 33.47 30.30 1ukk s TRP 10 CO 0.07 -0.25 -0.25 -1.21 -4.62 0.00 0.00 176.95 170.69 1ukk s GLU 11 N 0.02 2.46 0.55 5.86 2.02 0.35 -4.98 118.70 124.98 1ukk s GLU 11 Ca -0.07 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1ukk s GLU 11 Cb -0.14 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.97 1ukk s GLU 11 CO 0.04 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1ukk n GLY 12 N 2.89 -2.23 0.50 -1.39 0.00 -1.26 -1.67 105.19 102.03 1ukk n GLY 12 Ca -0.17 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 1ukk n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukk n GLY 13 N -0.22 -1.69 0.23 -0.02 0.00 -1.26 -4.76 105.19 97.47 1ukk n GLY 13 Ca 0.00 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 1ukk n GLY 13 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ukk h LEU 14 N 0.00 -0.43 -0.24 0.99 5.85 -1.93 -1.31 115.31 118.23 1ukk h LEU 14 Ca -0.06 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 1ukk h LEU 14 Cb 0.16 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1ukk h LEU 14 CO 0.04 0.02 -0.64 0.03 -0.34 0.00 0.00 178.44 177.55 1ukk h ARG 15 N -1.07 0.00 -0.01 1.25 3.08 -2.00 -3.34 114.38 112.29 1ukk h ARG 15 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ukk h ARG 15 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1ukk h ARG 15 CO 0.08 0.64 -0.29 1.04 -1.07 0.00 0.00 179.97 180.38 1ukk n GLN 16 N -3.37 1.72 -2.04 0.04 1.13 -1.26 -4.75 117.38 108.86 1ukk n GLN 16 Ca 0.01 -0.81 -0.29 0.00 -1.94 0.00 0.00 57.00 53.97 1ukk n GLN 16 Cb 0.75 -1.24 0.16 0.00 0.11 0.00 0.00 30.24 30.02 1ukk n GLN 16 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ukk s GLY 17 N -1.75 1.76 0.17 1.08 0.00 -0.49 -4.85 107.32 103.24 1ukk s GLY 17 Ca 0.13 -1.23 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 1ukk s GLY 17 CO 0.36 -0.52 0.40 -1.59 0.00 0.00 0.00 173.10 171.75 1ukk s LYS 18 N -5.73 1.23 0.31 2.90 -2.85 -0.67 -4.53 119.74 110.40 1ukk s LYS 18 Ca 0.71 -0.98 0.03 0.00 -1.00 0.00 0.00 55.97 54.73 1ukk s LYS 18 Cb -0.05 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.15 1ukk s LYS 18 CO 0.51 -0.49 0.32 0.20 0.10 0.00 0.00 175.35 175.99 1ukk s GLY 19 N -2.91 1.93 0.00 0.59 0.00 0.03 -0.49 107.32 106.46 1ukk s GLY 19 Ca 0.12 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1ukk s GLY 19 CO -0.03 -1.31 0.00 -0.62 0.00 0.00 0.00 173.10 171.14 1ukk n VAL 20 N -0.55 0.00 0.00 1.40 0.31 -0.30 -1.24 118.33 117.95 1ukk n VAL 20 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1ukk n VAL 20 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 1ukk n VAL 20 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ukk n GLU 22 N 0.00 0.00 -3.34 5.55 1.02 0.38 -0.94 120.64 123.31 1ukk n GLU 22 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1ukk n GLU 22 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1ukk n GLU 22 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ukk s LEU 23 N 0.00 4.27 0.16 -4.62 1.43 -1.19 -1.76 118.68 116.98 1ukk s LEU 23 Ca 0.00 1.07 -0.08 0.00 -1.03 0.00 0.00 54.13 54.09 1ukk s LEU 23 Cb 0.00 -3.46 0.02 0.00 0.03 0.00 0.00 46.19 42.78 1ukk s LEU 23 CO 0.00 0.03 1.49 -0.61 0.23 0.00 0.00 176.35 177.49 1ukk h GLN 24 N 3.18 0.81 0.00 1.70 4.15 -1.94 -3.38 115.11 119.63 1ukk h GLN 24 Ca -0.48 -0.45 -0.07 0.00 0.77 0.00 0.00 58.65 58.42 1ukk h GLN 24 Cb 1.18 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 1ukk h GLN 24 CO 0.67 1.08 -1.00 0.66 -1.93 0.00 0.00 178.83 178.31 1ukk h SER 25 N 0.65 0.00 -5.58 -0.69 4.64 -1.95 -3.47 113.55 107.15 1ukk h SER 25 Ca 0.04 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.10 1ukk h SER 25 Cb 1.01 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.99 1ukk h SER 25 CO 0.10 0.27 -0.38 0.00 -0.87 0.00 0.00 176.83 175.95 1ukk s GLN 26 N -3.14 1.59 -0.75 4.77 -2.07 -1.26 -5.08 119.66 113.71 1ukk s GLN 26 Ca -0.00 -1.68 -0.05 0.00 -1.82 0.00 0.00 55.36 51.81 1ukk s GLN 26 Cb 0.09 0.37 0.06 0.00 -1.09 0.00 0.00 33.01 32.43 1ukk s GLN 26 CO 0.78 -0.61 2.69 0.00 -1.32 0.00 0.00 175.29 176.83 1ukk n ALA 27 N -0.45 6.60 -2.74 2.60 0.00 -1.26 -4.36 120.51 120.90 1ukk n ALA 27 Ca 0.02 -3.35 -0.35 0.00 0.00 0.00 0.00 53.44 49.76 1ukk n ALA 27 Cb 0.63 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.61 1ukk n ALA 27 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ukk s PHE 28 N -1.31 3.43 -0.19 0.00 5.36 -1.26 -5.02 117.98 118.99 1ukk s PHE 28 Ca 0.58 0.39 -0.01 0.00 -0.96 0.00 0.00 56.93 56.93 1ukk s PHE 28 Cb 0.31 -2.18 0.01 0.00 -0.34 0.00 0.00 43.02 40.82 1ukk s PHE 28 CO -0.16 0.31 -0.14 -0.65 -1.46 0.00 0.00 175.22 173.11 1ukk s GLN 29 N 0.30 3.15 -0.35 10.12 -1.52 -1.26 -3.17 119.66 126.94 1ukk s GLN 29 Ca 0.10 -0.75 -0.02 0.00 -1.95 0.00 0.00 55.36 52.74 1ukk s GLN 29 Cb -0.11 -2.72 0.08 0.00 -0.22 0.00 0.00 33.01 30.03 1ukk s GLN 29 CO -0.01 -0.17 0.08 0.20 -0.25 0.00 0.00 175.29 175.15 1ukk s GLY 30 N 1.28 1.86 0.47 3.09 0.00 -1.26 -5.04 107.32 107.72 1ukk s GLY 30 Ca 0.04 -2.12 -0.21 0.00 0.00 0.00 0.00 44.72 42.42 1ukk s GLY 30 CO -0.08 0.84 1.05 2.56 0.00 0.00 0.00 173.10 177.47 1ukk s PRO 31 N 1.18 3.87 0.06 2.90 0.04 -1.26 -4.25 135.00 137.55 1ukk s PRO 31 Ca 0.01 1.41 -0.20 0.00 0.04 0.00 0.00 61.00 62.27 1ukk s PRO 31 Cb -0.21 -2.20 0.04 0.00 0.04 0.00 0.00 34.50 32.18 1ukk s PRO 31 CO -0.03 -0.38 0.46 1.52 0.04 0.00 0.00 177.00 178.62 1ukk s TYR 32 N -1.89 -0.33 0.32 0.56 1.13 -0.37 -0.16 117.35 116.60 1ukk s TYR 32 Ca 0.65 0.29 -0.13 0.00 -1.41 0.00 0.00 57.07 56.47 1ukk s TYR 32 Cb -0.18 0.29 0.02 0.00 -1.10 0.00 0.00 41.96 40.99 1ukk s TYR 32 CO 0.22 -0.63 0.64 -1.54 -2.51 0.00 0.00 175.55 171.73 1ukk s SER 33 N -2.12 0.13 0.15 -0.18 1.04 -1.26 -0.79 113.70 110.66 1ukk s SER 33 Ca -0.04 -1.06 -0.17 0.00 0.48 0.00 0.00 55.95 55.16 1ukk s SER 33 Cb -0.00 0.73 0.02 0.00 0.10 0.00 0.00 66.02 66.86 1ukk s SER 33 CO -0.04 -1.42 1.79 0.22 0.98 0.00 0.00 173.24 174.77 1ukk h TYR 34 N 2.08 0.36 -0.85 5.02 5.03 -1.80 -0.70 116.97 126.10 1ukk h TYR 34 Ca -0.27 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.08 1ukk h TYR 34 Cb 1.25 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 39.37 1ukk h TYR 34 CO 0.99 0.21 0.55 -1.35 -1.32 0.00 0.00 178.16 177.24 1ukk h PRO 35 N 0.40 1.06 0.00 1.82 0.11 -1.93 0.17 132.00 133.63 1ukk h PRO 35 Ca 0.14 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1ukk h PRO 35 Cb 0.02 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 30.89 1ukk h PRO 35 CO -0.08 0.70 -0.13 0.66 -0.21 0.00 0.00 178.00 178.94 1ukk h SER 36 N 1.09 0.00 0.11 -2.05 4.64 -1.62 0.18 113.55 115.90 1ukk h SER 36 Ca 0.33 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.33 1ukk h SER 36 Cb -0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1ukk h SER 36 CO -0.11 0.13 -1.75 -0.09 -0.87 0.00 0.00 176.83 174.15 1ukk h ARG 37 N 0.00 0.23 0.00 4.77 2.43 -0.76 -3.42 114.38 117.63 1ukk h ARG 37 Ca -0.00 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1ukk h ARG 37 Cb 0.87 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1ukk h ARG 37 CO 0.02 1.19 -0.86 1.19 -1.51 0.00 0.00 179.97 179.99 1ukk n PHE 38 N -3.74 0.00 -0.26 2.20 3.72 0.56 -5.00 117.46 114.94 1ukk n PHE 38 Ca -0.30 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 1ukk n PHE 38 Cb 0.96 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.42 1ukk n PHE 38 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1ukk n GLU 39 N -1.47 2.53 -0.88 -1.08 1.02 -0.03 -5.02 120.64 115.71 1ukk n GLU 39 Ca 0.01 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.20 1ukk n GLU 39 Cb 0.23 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.77 1ukk n GLU 39 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ukk n GLU 40 N 0.00 0.87 -1.29 3.49 -0.58 -1.01 -4.74 120.64 117.38 1ukk n GLU 40 Ca 0.00 -2.61 -0.31 0.00 -0.42 0.00 0.00 57.16 53.82 1ukk n GLU 40 Cb 0.00 -0.94 0.10 0.00 -0.57 0.00 0.00 31.44 30.03 1ukk n GLU 40 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ukk s GLY 41 N -2.61 1.66 0.32 0.62 0.00 -0.69 -4.91 107.32 101.72 1ukk s GLY 41 Ca 0.33 0.15 -0.29 0.00 0.00 0.00 0.00 44.72 44.92 1ukk s GLY 41 CO -0.09 0.53 1.26 -0.54 0.00 0.00 0.00 173.10 174.26 1ukk s GLU 42 N -4.94 4.42 0.00 2.90 2.02 -1.26 -3.89 118.70 117.94 1ukk s GLU 42 Ca 0.61 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.73 1ukk s GLU 42 Cb -0.17 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1ukk s GLU 42 CO 0.56 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 176.15 1ukk n GLY 43 N 0.90 1.28 0.00 -1.39 0.00 -1.26 -4.52 105.19 100.19 1ukk n GLY 43 Ca -0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1ukk n GLY 43 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ukk n THR 44 N -1.56 0.00 -3.57 2.61 5.66 0.77 -4.93 114.28 113.26 1ukk n THR 44 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 1ukk n THR 44 Cb 0.00 -0.55 -0.02 0.00 -1.55 0.00 0.00 70.33 68.21 1ukk n THR 44 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1ukk s ASN 45 N -0.24 -0.25 0.40 1.09 2.20 -1.26 -4.42 114.94 112.46 1ukk s ASN 45 Ca 0.00 -0.05 0.12 0.00 -0.94 0.00 0.00 52.86 51.99 1ukk s ASN 45 Cb 0.00 0.30 0.95 0.00 -2.00 0.00 0.00 41.25 40.50 1ukk s ASN 45 CO 0.00 -0.51 1.92 -0.65 -2.94 0.00 0.00 177.10 174.93 1ukk h PRO 46 N 2.00 0.51 -0.26 3.55 0.11 -1.98 -2.52 132.00 133.42 1ukk h PRO 46 Ca -0.19 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.81 1ukk h PRO 46 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1ukk h PRO 46 CO 0.28 0.34 -0.20 0.93 -0.21 0.00 0.00 178.00 179.13 1ukk h GLU 47 N 0.53 0.47 -0.51 1.05 3.07 -1.97 -1.10 114.58 116.12 1ukk h GLU 47 Ca 0.37 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 59.03 1ukk h GLU 47 Cb 0.70 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 1ukk h GLU 47 CO -0.13 0.65 0.16 0.93 -1.40 0.00 0.00 179.01 179.21 1ukk h GLU 48 N 0.42 0.79 -0.53 2.33 5.08 -1.85 0.77 114.58 121.59 1ukk h GLU 48 Ca 0.07 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 1ukk h GLU 48 Cb 0.59 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1ukk h GLU 48 CO 0.04 0.74 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.63 1ukk h LEU 49 N 0.69 0.99 -0.41 1.33 -0.00 -1.35 -1.50 115.31 115.06 1ukk h LEU 49 Ca 0.16 -0.34 -0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1ukk h LEU 49 Cb 0.28 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 1ukk h LEU 49 CO -0.00 1.10 0.25 0.40 -0.00 0.00 0.00 178.44 180.18 1ukk h ILE 50 N 0.86 1.13 -0.50 1.22 2.04 -1.00 -1.47 117.51 119.78 1ukk h ILE 50 Ca 0.14 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.82 1ukk h ILE 50 Cb 0.64 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 37.21 1ukk h ILE 50 CO 0.04 0.13 -0.11 0.00 0.00 0.00 0.00 178.15 178.21 1ukk h ALA 51 N 1.12 0.35 -0.60 1.87 0.00 -0.59 0.01 119.26 121.42 1ukk h ALA 51 Ca 0.15 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1ukk h ALA 51 Cb -0.01 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1ukk h ALA 51 CO -0.03 -0.44 0.32 0.00 0.00 0.00 0.00 179.25 179.11 1ukk h ALA 52 N 1.50 0.76 -0.37 0.00 0.00 -1.05 0.10 119.26 120.20 1ukk h ALA 52 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ukk h ALA 52 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ukk h ALA 52 CO -0.51 0.28 0.20 0.00 0.00 0.00 0.00 179.25 179.22 1ukk h ALA 53 N 1.15 0.47 -0.42 0.00 0.00 -0.93 -0.65 119.26 118.88 1ukk h ALA 53 Ca 0.21 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1ukk h ALA 53 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ukk h ALA 53 CO -0.03 0.01 -0.26 1.25 0.00 0.00 0.00 179.25 180.22 1ukk h HIS 54 N 0.47 1.07 -0.81 0.00 6.17 -0.63 -2.71 115.15 118.70 1ukk h HIS 54 Ca 0.13 -0.28 0.03 0.00 0.71 0.00 0.00 60.37 60.96 1ukk h HIS 54 Cb 0.07 -0.24 -0.05 0.00 2.52 0.00 0.00 27.41 29.71 1ukk h HIS 54 CO -0.02 1.09 0.52 0.00 0.71 0.00 0.00 177.93 180.22 1ukk h ALA 55 N 0.81 1.07 0.00 5.26 0.00 -0.70 -0.12 119.26 125.59 1ukk h ALA 55 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ukk h ALA 55 Cb 0.83 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ukk h ALA 55 CO 0.07 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1ukk n GLY 56 N -1.32 1.17 0.00 0.00 0.00 -0.26 -1.63 105.19 103.15 1ukk n GLY 56 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ukk n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ukk n PHE 58 N 0.67 0.00 0.12 1.61 7.35 -0.06 -4.63 117.46 122.53 1ukk n PHE 58 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1ukk n PHE 58 Cb 0.29 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.12 1ukk n PHE 58 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1ukk n SER 59 N 0.00 0.11 0.00 -2.13 7.64 -0.65 -0.39 113.62 118.19 1ukk n SER 59 Ca 0.00 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1ukk n SER 59 Cb 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1ukk n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ukk n ALA 61 N 0.37 0.00 -0.11 -0.43 0.00 -1.26 -2.03 120.51 117.05 1ukk n ALA 61 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1ukk n ALA 61 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 1ukk n ALA 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ukk h LEU 62 N 0.00 0.45 -0.57 0.00 5.85 -1.05 -0.86 115.31 119.13 1ukk h LEU 62 Ca 0.00 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1ukk h LEU 62 Cb 0.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1ukk h LEU 62 CO 0.00 0.46 0.33 0.00 -0.34 0.00 0.00 178.44 178.89 1ukk h ALA 63 N 1.01 0.74 -0.26 1.25 0.00 -1.63 -0.73 119.26 119.64 1ukk h ALA 63 Ca 0.12 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ukk h ALA 63 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ukk h ALA 63 CO -0.01 0.04 0.11 0.00 0.00 0.00 0.00 179.25 179.38 1ukk h ALA 64 N 1.27 0.30 -0.89 0.00 0.00 -1.77 -0.64 119.26 117.53 1ukk h ALA 64 Ca 0.24 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1ukk h ALA 64 Cb 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1ukk h ALA 64 CO -0.12 -0.29 0.59 0.77 0.00 0.00 0.00 179.25 180.20 1ukk h SER 65 N 0.24 1.02 -0.35 0.00 0.02 -0.85 -1.36 113.55 112.28 1ukk h SER 65 Ca 0.11 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1ukk h SER 65 Cb 0.05 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1ukk h SER 65 CO -0.09 0.73 0.01 -0.07 -1.14 0.00 0.00 176.83 176.27 1ukk h LEU 66 N 1.20 0.59 -0.87 5.07 3.38 -1.01 -3.12 115.31 120.55 1ukk h LEU 66 Ca 0.33 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ukk h LEU 66 Cb -0.13 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1ukk h LEU 66 CO -0.07 0.74 0.45 -0.08 0.09 0.00 0.00 178.44 179.57 1ukk h GLU 67 N 0.42 1.24 0.00 1.13 4.81 -0.81 -0.49 114.58 120.87 1ukk h GLU 67 Ca 0.10 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1ukk h GLU 67 Cb 0.44 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1ukk h GLU 67 CO 0.02 0.93 -0.00 0.00 -0.73 0.00 0.00 179.01 179.22 1ukk h ARG 68 N 1.23 0.00 -0.12 1.92 3.08 -1.24 -1.06 114.38 118.20 1ukk h ARG 68 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1ukk h ARG 68 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ukk h ARG 68 CO -0.04 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.25 1ukk n GLU 69 N -3.51 1.89 -0.86 0.04 -0.58 -0.69 -4.93 120.64 112.00 1ukk n GLU 69 Ca -0.03 -1.31 0.00 0.00 -0.42 0.00 0.00 57.16 55.40 1ukk n GLU 69 Cb 0.08 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1ukk n GLU 69 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ukk n GLY 70 N 1.22 0.48 2.63 0.62 0.00 -0.40 -5.01 105.19 104.74 1ukk n GLY 70 Ca 0.17 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 1ukk n GLY 70 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ukk n PHE 71 N -2.86 2.75 -1.66 1.61 3.72 -0.28 -4.98 117.46 115.76 1ukk n PHE 71 Ca 0.00 -3.95 -0.46 0.00 -0.05 0.00 0.00 57.45 52.99 1ukk n PHE 71 Cb 0.00 -0.47 -0.04 0.00 -0.94 0.00 0.00 39.48 38.03 1ukk n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1ukk n PRO 72 N 0.14 1.95 -2.76 -1.08 -0.04 -1.25 -3.88 135.00 128.08 1ukk n PRO 72 Ca 0.29 0.70 -0.34 0.00 -0.04 0.00 0.00 63.50 64.10 1ukk n PRO 72 Cb 0.47 -2.39 -0.06 0.00 -0.04 0.00 0.00 33.50 31.48 1ukk n PRO 72 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1ukk s PRO 73 N 0.18 4.24 0.06 0.54 0.04 -1.26 -4.52 135.00 134.27 1ukk s PRO 73 Ca 0.74 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 1ukk s PRO 73 Cb -0.70 -2.31 -0.11 0.00 0.04 0.00 0.00 34.50 31.42 1ukk s PRO 73 CO 0.45 -0.03 1.47 -0.22 0.04 0.00 0.00 177.00 178.71 1ukk h LYS 74 N 2.14 0.34 -2.66 4.56 3.64 -1.35 -3.47 116.57 119.78 1ukk h LYS 74 Ca -0.49 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 58.66 1ukk h LYS 74 Cb 1.19 -0.02 -0.25 0.00 -0.41 0.00 0.00 32.23 32.73 1ukk h LYS 74 CO 0.62 0.58 -0.26 0.50 -2.27 0.00 0.00 179.45 178.62 1ukk s ARG 75 N -4.86 0.44 -0.23 1.90 3.52 -1.10 -4.99 118.95 113.64 1ukk s ARG 75 Ca -0.14 0.72 0.02 0.00 -0.13 0.00 0.00 55.73 56.19 1ukk s ARG 75 Cb 0.06 0.09 0.05 0.00 -1.56 0.00 0.00 34.95 33.59 1ukk s ARG 75 CO 0.73 -0.12 -0.10 0.08 -0.81 0.00 0.00 175.30 175.08 1ukk s VAL 76 N 0.92 1.86 -0.17 7.11 1.01 -1.26 -0.64 120.40 129.23 1ukk s VAL 76 Ca -0.06 -1.29 -0.06 0.00 0.00 0.00 0.00 61.98 60.57 1ukk s VAL 76 Cb -0.06 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1ukk s VAL 76 CO -0.07 0.07 0.01 -0.44 0.00 0.00 0.00 175.10 174.67 1ukk s SER 77 N 1.27 5.22 -0.04 3.32 0.01 -0.09 -4.93 113.70 118.46 1ukk s SER 77 Ca -0.05 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.20 1ukk s SER 77 Cb -0.18 -1.88 0.02 0.00 0.21 0.00 0.00 66.02 64.19 1ukk s SER 77 CO -0.07 0.17 -0.07 -0.89 0.41 0.00 0.00 173.24 172.79 1ukk s THR 78 N 0.40 0.69 -0.16 1.44 2.01 -1.26 -0.91 115.64 117.85 1ukk s THR 78 Ca -0.00 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 1ukk s THR 78 Cb -0.13 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1ukk s THR 78 CO 0.02 0.25 0.06 -0.70 -0.69 0.00 0.00 174.62 173.55 1ukk s GLU 79 N 0.71 3.77 -0.07 4.92 2.12 0.44 -4.89 118.70 125.69 1ukk s GLU 79 Ca -0.11 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 54.90 1ukk s GLU 79 Cb -0.14 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 1ukk s GLU 79 CO 0.01 0.38 -0.11 0.00 -0.54 0.00 0.00 175.26 175.00 1ukk s ALA 80 N 0.05 2.79 -0.20 6.30 0.00 -1.26 -0.84 121.76 128.60 1ukk s ALA 80 Ca 0.05 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1ukk s ALA 80 Cb -0.12 -1.12 0.04 0.00 0.00 0.00 0.00 23.12 21.92 1ukk s ALA 80 CO 0.01 0.50 -0.09 1.03 0.00 0.00 0.00 175.76 177.21 1ukk s ARG 81 N -0.56 1.94 -0.28 0.00 0.52 -0.09 -4.89 118.95 115.59 1ukk s ARG 81 Ca 0.08 -0.81 -0.10 0.00 -0.52 0.00 0.00 55.73 54.38 1ukk s ARG 81 Cb -0.12 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 1ukk s ARG 81 CO 0.02 -0.43 0.17 0.08 0.02 0.00 0.00 175.30 175.15 1ukk s VAL 82 N 1.42 5.10 -0.23 3.52 1.01 -1.26 -0.57 120.40 129.39 1ukk s VAL 82 Ca -0.01 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 1ukk s VAL 82 Cb -0.16 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1ukk s VAL 82 CO -0.08 0.26 0.29 -1.00 0.00 0.00 0.00 175.10 174.57 1ukk s HIS 83 N 1.73 3.32 -0.13 5.22 3.76 0.21 -5.03 115.29 124.36 1ukk s HIS 83 Ca 0.07 0.40 -0.02 0.00 -0.15 0.00 0.00 55.06 55.35 1ukk s HIS 83 Cb -0.16 -2.42 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 1ukk s HIS 83 CO 0.09 -0.02 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.73 1ukk s LEU 84 N 1.36 3.15 -0.02 0.89 2.96 -1.26 -1.91 118.68 123.85 1ukk s LEU 84 Ca 0.13 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1ukk s LEU 84 Cb -0.14 -1.74 0.00 0.00 0.50 0.00 0.00 46.19 44.81 1ukk s LEU 84 CO 0.07 0.21 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.62 1ukk s GLU 85 N 0.13 0.75 -1.45 1.98 2.02 -0.65 -4.96 118.70 116.52 1ukk s GLU 85 Ca -0.02 -0.26 -0.13 0.00 0.02 0.00 0.00 54.97 54.57 1ukk s GLU 85 Cb -0.14 -0.72 -0.01 0.00 0.10 0.00 0.00 34.13 33.36 1ukk s GLU 85 CO 0.03 0.12 2.40 0.28 0.02 0.00 0.00 175.26 178.11 1ukk n VAL 86 N 3.15 3.55 -3.87 2.63 0.31 -1.26 -0.26 118.33 122.59 1ukk n VAL 86 Ca -0.16 -2.77 -0.11 0.00 -0.01 0.00 0.00 64.34 61.29 1ukk n VAL 86 Cb 0.56 -2.58 -0.10 0.00 -0.91 0.00 0.00 33.84 30.81 1ukk n VAL 86 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1ukk s VAL 87 N 3.05 0.09 -0.69 2.52 -7.23 -0.52 -4.28 120.40 113.34 1ukk s VAL 87 Ca 0.53 -0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 59.87 1ukk s VAL 87 Cb 0.15 -0.48 0.18 0.00 0.56 0.00 0.00 36.38 36.79 1ukk s VAL 87 CO -0.07 -0.39 0.61 -1.81 -0.31 0.00 0.00 175.10 173.13 1ukk s ASP 88 N -1.46 6.27 0.00 4.85 1.11 -1.26 -4.10 116.67 122.09 1ukk s ASP 88 Ca -0.14 -2.43 0.00 0.00 0.18 0.00 0.00 52.55 50.16 1ukk s ASP 88 Cb -0.07 -2.13 0.00 0.00 1.07 0.00 0.00 42.92 41.79 1ukk s ASP 88 CO 0.01 -0.61 0.00 0.61 1.18 0.00 0.00 175.17 176.36 1ukk n GLY 89 N 4.27 2.42 3.53 0.21 0.00 -1.26 -5.06 105.19 109.30 1ukk n GLY 89 Ca 0.04 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1ukk n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ukk s LYS 90 N 0.00 2.18 0.13 1.61 1.02 -1.26 -4.97 119.74 118.45 1ukk s LYS 90 Ca 0.00 -0.95 -0.31 0.00 0.02 0.00 0.00 55.97 54.73 1ukk s LYS 90 Cb 0.00 -2.29 -0.09 0.00 -0.52 0.00 0.00 37.83 34.92 1ukk s LYS 90 CO 0.00 0.54 1.59 -1.25 -0.92 0.00 0.00 175.35 175.31 1ukk s PRO 91 N -1.71 4.21 -0.06 -1.68 0.04 -1.26 -1.44 135.00 133.11 1ukk s PRO 91 Ca 0.17 2.35 -0.04 0.00 0.04 0.00 0.00 61.00 63.52 1ukk s PRO 91 Cb -0.11 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.16 1ukk s PRO 91 CO 0.09 -0.64 0.15 0.99 0.04 0.00 0.00 177.00 177.63 1ukk s THR 92 N 1.61 -0.02 -0.65 1.26 2.01 0.64 -4.93 115.64 115.57 1ukk s THR 92 Ca 0.71 0.07 -0.28 0.00 0.31 0.00 0.00 61.69 62.50 1ukk s THR 92 Cb -0.42 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 71.89 1ukk s THR 92 CO 0.32 0.03 1.23 -0.76 -0.69 0.00 0.00 174.62 174.74 1ukk s LEU 93 N 0.51 3.34 0.06 4.42 1.43 -1.26 -1.63 118.68 125.54 1ukk s LEU 93 Ca -0.04 -0.14 0.12 0.00 -1.03 0.00 0.00 54.13 53.04 1ukk s LEU 93 Cb -0.05 -2.90 -0.18 0.00 0.03 0.00 0.00 46.19 43.09 1ukk s LEU 93 CO -0.02 -1.63 0.97 0.71 0.23 0.00 0.00 176.35 176.60 1ukk h THR 94 N 6.10 1.08 -2.05 5.49 1.35 -1.75 -3.39 112.91 119.75 1ukk h THR 94 Ca -0.26 -2.78 -0.02 0.00 -0.55 0.00 0.00 66.41 62.79 1ukk h THR 94 Cb 1.05 2.50 -0.21 0.00 -1.73 0.00 0.00 68.15 69.76 1ukk h THR 94 CO 1.23 0.61 0.07 -0.60 -0.25 0.00 0.00 175.52 176.58 1ukk s ARG 95 N -2.72 0.77 -0.08 4.72 3.52 -1.25 -3.17 118.95 120.73 1ukk s ARG 95 Ca -0.02 1.06 0.04 0.00 -0.13 0.00 0.00 55.73 56.68 1ukk s ARG 95 Cb 0.09 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.78 1ukk s ARG 95 CO 0.81 -0.12 -0.22 0.42 -0.81 0.00 0.00 175.30 175.39 1ukk s ILE 96 N 0.83 1.86 -0.16 4.11 1.01 -0.49 -0.62 121.20 127.75 1ukk s ILE 96 Ca -0.04 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 1ukk s ILE 96 Cb -0.05 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1ukk s ILE 96 CO -0.07 0.52 0.03 -1.61 0.00 0.00 0.00 174.94 173.81 1ukk s GLU 97 N 0.28 3.72 -0.16 2.79 2.02 0.26 -1.48 118.70 126.12 1ukk s GLU 97 Ca -0.14 -0.39 -0.03 0.00 0.02 0.00 0.00 54.97 54.43 1ukk s GLU 97 Cb -0.16 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 1ukk s GLU 97 CO 0.07 0.36 -0.06 -0.51 0.02 0.00 0.00 175.26 175.14 1ukk s LEU 98 N 0.10 3.07 -0.24 1.80 1.43 -0.07 -0.91 118.68 123.85 1ukk s LEU 98 Ca 0.03 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1ukk s LEU 98 Cb -0.13 -1.74 0.06 0.00 0.03 0.00 0.00 46.19 44.42 1ukk s LEU 98 CO 0.01 0.14 -0.07 -0.76 0.23 0.00 0.00 176.35 175.90 1ukk s LEU 99 N 0.54 2.86 -0.02 1.79 1.02 -0.02 -0.64 118.68 124.21 1ukk s LEU 99 Ca -0.04 -1.26 0.06 0.00 0.02 0.00 0.00 54.13 52.91 1ukk s LEU 99 Cb -0.15 -1.30 -0.02 0.00 0.02 0.00 0.00 46.19 44.74 1ukk s LEU 99 CO 0.03 -0.22 -0.21 -0.89 0.02 0.00 0.00 176.35 175.07 1ukk s THR 100 N 1.30 2.48 -0.07 5.49 2.01 0.35 -0.42 115.64 126.78 1ukk s THR 100 Ca -0.06 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 60.97 1ukk s THR 100 Cb -0.19 -1.92 0.01 0.00 0.01 0.00 0.00 72.50 70.41 1ukk s THR 100 CO -0.06 0.56 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.70 1ukk s GLU 101 N -0.74 1.71 -0.00 4.92 2.02 -0.08 -1.07 118.70 125.46 1ukk s GLU 101 Ca 0.11 -0.40 0.03 0.00 0.02 0.00 0.00 54.97 54.73 1ukk s GLU 101 Cb -0.10 -1.45 -0.01 0.00 0.10 0.00 0.00 34.13 32.67 1ukk s GLU 101 CO 0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 175.26 175.16 1ukk s ALA 102 N 0.79 0.93 -0.44 5.21 0.00 -0.24 -0.91 121.76 127.09 1ukk s ALA 102 Ca -0.12 -0.52 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 1ukk s ALA 102 Cb -0.15 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.79 1ukk s ALA 102 CO 0.02 0.22 0.39 -1.21 0.00 0.00 0.00 175.76 175.17 1ukk s GLU 103 N -0.39 3.01 -0.24 0.00 2.02 0.19 -0.75 118.70 122.54 1ukk s GLU 103 Ca 0.04 -1.09 -0.01 0.00 0.02 0.00 0.00 54.97 53.93 1ukk s GLU 103 Cb -0.05 -4.05 0.07 0.00 0.10 0.00 0.00 34.13 30.21 1ukk s GLU 103 CO -0.00 -0.91 0.01 0.08 0.02 0.00 0.00 175.26 174.46 1ukk s VAL 104 N 1.82 1.12 0.16 2.63 1.01 -1.26 -0.85 120.40 125.03 1ukk s VAL 104 Ca 0.07 -1.11 -0.32 0.00 0.00 0.00 0.00 61.98 60.61 1ukk s VAL 104 Cb -0.21 -1.58 -0.12 0.00 0.00 0.00 0.00 36.38 34.48 1ukk s VAL 104 CO 0.09 -0.28 1.75 -2.65 0.00 0.00 0.00 175.10 174.02 1ukk n PRO 105 N 4.80 2.67 0.00 2.72 -0.02 -1.26 -3.30 135.00 140.61 1ukk n PRO 105 Ca -0.08 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1ukk n PRO 105 Cb 0.44 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 1ukk n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ukk n GLY 106 N 4.00 3.20 3.85 -1.23 0.00 -1.26 -4.89 105.19 108.86 1ukk n GLY 106 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1ukk n GLY 106 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ukk s ILE 107 N -2.07 4.65 0.42 -0.61 2.07 -1.21 -5.07 121.20 119.39 1ukk s ILE 107 Ca 0.00 0.98 -0.12 0.00 -1.41 0.00 0.00 60.65 60.10 1ukk s ILE 107 Cb 0.00 -3.64 -0.07 0.00 0.13 0.00 0.00 42.46 38.88 1ukk s ILE 107 CO 0.00 -0.30 0.81 -0.94 -1.91 0.00 0.00 174.94 172.60 1ukk s SER 108 N -2.48 6.57 0.19 4.50 1.04 -1.26 -4.96 113.70 117.29 1ukk s SER 108 Ca 0.55 1.24 -0.12 0.00 0.48 0.00 0.00 55.95 58.10 1ukk s SER 108 Cb -0.10 -2.37 0.13 0.00 0.10 0.00 0.00 66.02 63.78 1ukk s SER 108 CO 0.20 -0.42 1.81 -1.28 0.98 0.00 0.00 173.24 174.54 1ukk h SER 109 N 1.28 0.52 -0.47 7.02 0.87 -1.99 -1.25 113.55 119.52 1ukk h SER 109 Ca -0.47 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.01 1ukk h SER 109 Cb 1.19 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 1ukk h SER 109 CO 0.63 0.36 -0.03 1.05 -0.53 0.00 0.00 176.83 178.31 1ukk h GLU 110 N 0.64 0.91 -0.18 2.24 9.09 -1.99 -0.69 114.58 124.61 1ukk h GLU 110 Ca 0.23 -0.28 -0.06 0.00 0.05 0.00 0.00 59.36 59.30 1ukk h GLU 110 Cb 0.05 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 27.06 1ukk h GLU 110 CO -0.11 0.93 -0.13 -0.22 0.05 0.00 0.00 179.01 179.52 1ukk h LYS 111 N 0.84 0.40 -0.53 1.06 1.63 -1.91 -1.66 116.57 116.39 1ukk h LYS 111 Ca 0.15 -0.19 0.10 0.00 -0.85 0.00 0.00 60.65 59.86 1ukk h LYS 111 Cb 0.54 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.09 1ukk h LYS 111 CO 0.03 0.74 0.04 0.35 -3.45 0.00 0.00 179.45 177.16 1ukk h PHE 112 N 0.06 0.04 -0.28 1.91 3.57 -0.98 -1.18 116.94 120.09 1ukk h PHE 112 Ca 0.03 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1ukk h PHE 112 Cb 0.64 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1ukk h PHE 112 CO 0.07 -0.09 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.68 1ukk h LEU 113 N 0.16 0.61 0.05 0.59 3.38 -0.92 0.50 115.31 119.68 1ukk h LEU 113 Ca 0.27 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ukk h LEU 113 Cb 0.41 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ukk h LEU 113 CO -0.42 0.89 -0.02 -0.08 0.09 0.00 0.00 178.44 178.90 1ukk h GLU 114 N 0.51 -0.06 -0.41 1.13 4.81 -0.91 -1.61 114.58 118.04 1ukk h GLU 114 Ca 0.06 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1ukk h GLU 114 Cb 0.80 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 1ukk h GLU 114 CO 0.07 0.09 0.19 0.82 -0.73 0.00 0.00 179.01 179.45 1ukk h ILE 115 N -0.21 0.95 -0.95 2.32 2.04 -0.82 -2.08 117.51 118.75 1ukk h ILE 115 Ca -0.01 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.75 1ukk h ILE 115 Cb 0.19 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 1ukk h ILE 115 CO 0.01 0.07 0.63 0.00 0.00 0.00 0.00 178.15 178.86 1ukk h ALA 116 N 1.23 1.24 -0.18 1.87 0.00 -0.75 -1.06 119.26 121.61 1ukk h ALA 116 Ca 0.18 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1ukk h ALA 116 Cb 0.10 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1ukk h ALA 116 CO -0.14 0.55 -0.59 1.49 0.00 0.00 0.00 179.25 180.56 1ukk h GLU 117 N 1.25 0.59 0.00 0.00 4.57 -0.94 -2.75 114.58 117.31 1ukk h GLU 117 Ca 0.37 -0.39 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 1ukk h GLU 117 Cb -0.07 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1ukk h GLU 117 CO -0.10 1.01 -0.32 0.00 -1.18 0.00 0.00 179.01 178.41 1ukk h ALA 118 N 0.91 1.24 0.00 2.92 0.00 -1.12 -3.04 119.26 120.16 1ukk h ALA 118 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1ukk h ALA 118 Cb 1.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ukk h ALA 118 CO 0.11 0.40 -0.24 0.00 0.00 0.00 0.00 179.25 179.52 1ukk h ALA 119 N 1.68 0.89 0.00 0.00 0.00 -0.90 -3.33 119.26 117.60 1ukk h ALA 119 Ca -0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1ukk h ALA 119 Cb 0.67 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ukk h ALA 119 CO 0.04 0.30 -0.56 1.57 0.00 0.00 0.00 179.25 180.60 1ukk h LYS 120 N 0.00 0.00 0.00 0.00 2.10 -1.40 -3.29 116.57 113.98 1ukk h LYS 120 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ukk h LYS 120 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1ukk h LYS 120 CO 0.03 0.56 0.00 -0.85 -2.00 0.00 0.00 179.45 177.20 1ukk n GLU 121 N -3.78 0.00 -0.75 0.07 0.00 -1.25 -4.76 120.64 110.18 1ukk n GLU 121 Ca -0.01 0.08 -0.27 0.00 0.00 0.00 0.00 57.16 56.95 1ukk n GLU 121 Cb 0.59 -0.81 -0.03 0.00 0.00 0.00 0.00 31.44 31.18 1ukk n GLU 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ukk n GLY 122 N 1.02 2.54 3.37 -1.84 0.00 -1.24 -4.43 105.19 104.62 1ukk n GLY 122 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 1ukk n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukk h PRO 124 N 2.25 0.03 -0.15 0.00 0.11 -1.99 -0.87 132.00 131.38 1ukk h PRO 124 Ca -0.33 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1ukk h PRO 124 Cb 1.27 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1ukk h PRO 124 CO 0.43 0.02 0.02 0.28 -0.21 0.00 0.00 178.00 178.54 1ukk h VAL 125 N 0.03 1.23 -0.64 3.15 2.07 -1.96 0.07 116.25 120.20 1ukk h VAL 125 Ca 0.09 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1ukk h VAL 125 Cb 0.12 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1ukk h VAL 125 CO -0.16 0.21 0.42 0.28 0.02 0.00 0.00 177.57 178.35 1ukk h SER 126 N 0.02 0.67 0.82 0.57 0.02 -1.79 0.31 113.55 114.18 1ukk h SER 126 Ca 0.04 -0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.74 1ukk h SER 126 Cb 0.31 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1ukk h SER 126 CO 0.00 0.47 -1.15 0.03 -1.14 0.00 0.00 176.83 175.04 1ukk h ARG 127 N 0.78 0.09 -0.09 3.45 3.08 -1.10 -3.10 114.38 117.49 1ukk h ARG 127 Ca 0.25 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1ukk h ARG 127 Cb 0.04 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1ukk h ARG 127 CO -0.07 1.04 -0.36 0.00 -1.07 0.00 0.00 179.97 179.51 1ukk h ALA 128 N 0.85 1.23 -0.60 0.04 0.00 -0.48 -2.97 119.26 117.33 1ukk h ALA 128 Ca -0.08 -0.36 -0.38 0.00 0.00 0.00 0.00 54.91 54.09 1ukk h ALA 128 Cb 1.86 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 19.39 1ukk h ALA 128 CO 0.15 0.53 0.49 1.28 0.00 0.00 0.00 179.25 181.70 1ukk n LEU 129 N -4.08 6.33 0.27 0.00 4.77 0.05 -4.44 117.00 119.90 1ukk n LEU 129 Ca -0.01 -3.31 0.10 0.00 -0.03 0.00 0.00 56.01 52.76 1ukk n LEU 129 Cb 0.43 -0.94 0.72 0.00 -2.33 0.00 0.00 43.42 41.30 1ukk n LEU 129 CO 0.40 1.15 1.05 0.00 -1.33 0.00 0.00 177.39 178.67 1ukk h ALA 130 N 1.54 1.72 0.00 -1.18 0.00 -1.62 -1.70 119.26 118.02 1ukk h ALA 130 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ukk h ALA 130 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ukk h ALA 130 CO 0.87 0.05 0.28 0.78 0.00 0.00 0.00 179.25 181.24 1ukk h GLY 131 N 0.17 0.00 -6.43 0.00 0.00 -1.89 -3.42 103.07 91.50 1ukk h GLY 131 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1ukk h GLY 131 CO 0.01 0.00 0.06 0.14 0.00 0.00 0.00 176.54 176.74 1ukk s VAL 132 N -3.69 5.04 0.15 4.60 1.01 -0.64 -4.99 120.40 121.89 1ukk s VAL 132 Ca -0.02 1.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.74 1ukk s VAL 132 Cb 0.06 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1ukk s VAL 132 CO 0.20 0.09 1.60 0.07 0.00 0.00 0.00 175.10 177.06 1ukk h LYS 133 N 7.77 -0.30 -4.69 2.72 2.10 -1.75 -3.42 116.57 119.00 1ukk h LYS 133 Ca -0.30 0.02 -0.36 0.00 -2.00 0.00 0.00 60.65 58.01 1ukk h LYS 133 Cb 1.14 0.07 -0.27 0.00 -0.90 0.00 0.00 32.23 32.27 1ukk h LYS 133 CO 0.75 -0.20 -0.77 -1.83 -2.00 0.00 0.00 179.45 175.40 1ukk s GLU 134 N -5.99 0.65 -0.17 0.07 -1.05 -1.19 -5.06 118.70 105.97 1ukk s GLU 134 Ca -0.15 -0.44 0.01 0.00 -0.15 0.00 0.00 54.97 54.24 1ukk s GLU 134 Cb 0.12 -0.60 0.02 0.00 -0.44 0.00 0.00 34.13 33.23 1ukk s GLU 134 CO 0.67 0.16 -0.18 0.08 0.95 0.00 0.00 175.26 176.94 1ukk s VAL 135 N -0.50 1.87 -0.16 1.83 1.01 -1.26 -1.39 120.40 121.80 1ukk s VAL 135 Ca 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1ukk s VAL 135 Cb -0.05 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1ukk s VAL 135 CO 0.00 0.50 -0.17 -0.69 0.00 0.00 0.00 175.10 174.74 1ukk s VAL 136 N 1.36 2.46 -0.17 2.92 1.01 -0.55 -5.01 120.40 122.43 1ukk s VAL 136 Ca 0.05 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1ukk s VAL 136 Cb -0.13 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1ukk s VAL 136 CO -0.12 0.52 0.11 -0.22 0.00 0.00 0.00 175.10 175.39 1ukk s LEU 137 N 0.96 4.14 -0.15 3.92 2.96 -1.26 -0.89 118.68 128.36 1ukk s LEU 137 Ca -0.03 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1ukk s LEU 137 Cb -0.15 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.51 1ukk s LEU 137 CO -0.03 0.24 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.16 1ukk s THR 138 N -0.00 1.89 0.04 3.68 2.01 0.19 -4.99 115.64 118.46 1ukk s THR 138 Ca 0.09 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.26 1ukk s THR 138 Cb -0.12 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 1ukk s THR 138 CO -0.00 0.51 -0.09 0.00 -0.69 0.00 0.00 174.62 174.35 1ukk s ALA 139 N 1.12 0.70 -0.07 7.40 0.00 -1.26 -0.50 121.76 129.15 1ukk s ALA 139 Ca -0.01 -0.73 -0.19 0.00 0.00 0.00 0.00 51.96 51.03 1ukk s ALA 139 Cb -0.14 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.00 1ukk s ALA 139 CO -0.07 0.05 0.44 -0.98 0.00 0.00 0.00 175.76 175.20 1ukk s ARG 140 N -1.35 0.72 -0.13 0.00 1.70 -0.23 -4.97 118.95 114.69 1ukk s ARG 140 Ca -0.06 0.17 -0.24 0.00 -0.47 0.00 0.00 55.73 55.13 1ukk s ARG 140 Cb -0.09 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.60 1ukk s ARG 140 CO 0.01 -0.18 0.75 -1.17 -1.08 0.00 0.00 175.30 173.62 1ukk s LEU 141 N -0.82 4.23 0.00 -1.89 2.96 -1.26 -1.08 118.68 120.81 1ukk s LEU 141 Ca -0.09 1.13 0.05 0.00 -0.22 0.00 0.00 54.13 55.00 1ukk s LEU 141 Cb -0.03 -3.12 0.04 0.00 0.50 0.00 0.00 46.19 43.57 1ukk s LEU 141 CO 0.05 -0.27 0.65 1.33 -1.32 0.00 0.00 176.35 176.79