#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 2.16 -0.01 -1.45 1.01 -1.26 -5.12 120.40 115.73 1ukk s VAL 3 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1ukk s VAL 3 Cb 0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1ukk s VAL 3 CO 0.00 0.54 -0.02 -0.13 0.00 0.00 0.00 175.10 175.49 1ukk s ARG 4 N 1.13 2.74 0.09 2.72 1.81 -1.26 -5.12 118.95 121.07 1ukk s ARG 4 Ca 0.01 -0.62 0.04 0.00 -1.72 0.00 0.00 55.73 53.44 1ukk s ARG 4 Cb -0.14 -2.63 -0.03 0.00 -0.45 0.00 0.00 34.95 31.69 1ukk s ARG 4 CO -0.09 0.63 -0.12 0.15 -0.68 0.00 0.00 175.30 175.20 1ukk s LYS 5 N -1.43 0.86 0.32 3.54 1.02 -1.26 -5.15 119.74 117.64 1ukk s LYS 5 Ca 0.18 -1.10 -0.13 0.00 0.02 0.00 0.00 55.97 54.93 1ukk s LYS 5 Cb -0.11 -0.66 0.02 0.00 -0.52 0.00 0.00 37.83 36.56 1ukk s LYS 5 CO 0.08 0.12 0.63 0.00 -0.92 0.00 0.00 175.35 175.27 1ukk s ALA 6 N -2.04 -0.42 0.13 5.17 0.00 -1.26 -4.94 121.76 118.40 1ukk s ALA 6 Ca 0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1ukk s ALA 6 Cb -0.05 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 1ukk s ALA 6 CO 0.01 -0.93 0.11 -1.59 0.00 0.00 0.00 175.76 173.36 1ukk s LYS 7 N -3.24 0.96 -0.01 0.00 -2.85 -0.93 -5.02 119.74 108.66 1ukk s LYS 7 Ca 0.19 -1.36 -0.13 0.00 -1.00 0.00 0.00 55.97 53.68 1ukk s LYS 7 Cb -0.03 0.27 0.02 0.00 -2.06 0.00 0.00 37.83 36.03 1ukk s LYS 7 CO 0.12 -0.29 0.26 0.00 0.10 0.00 0.00 175.35 175.54 1ukk s ALA 8 N -4.02 -0.65 0.01 0.59 0.00 -1.26 -0.70 121.76 115.72 1ukk s ALA 8 Ca 0.21 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.41 1ukk s ALA 8 Cb 0.06 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1ukk s ALA 8 CO 0.00 -0.25 -0.16 0.54 0.00 0.00 0.00 175.76 175.90 1ukk s VAL 9 N -1.38 1.23 -0.03 0.00 0.11 -0.29 -4.98 120.40 115.05 1ukk s VAL 9 Ca -0.14 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.13 1ukk s VAL 9 Cb -0.06 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1ukk s VAL 9 CO 0.03 0.23 -0.11 0.86 -3.33 0.00 0.00 175.10 172.79 1ukk s TRP 10 N -0.54 1.08 -0.06 1.54 -0.11 -1.26 -0.95 118.94 118.65 1ukk s TRP 10 Ca 0.05 -0.28 0.04 0.00 1.22 0.00 0.00 56.10 57.14 1ukk s TRP 10 Cb -0.07 -0.76 -0.00 0.00 -1.50 0.00 0.00 33.47 31.14 1ukk s TRP 10 CO 0.00 -0.11 -0.19 -1.21 -4.62 0.00 0.00 176.95 170.83 1ukk s GLU 11 N 0.14 2.16 0.52 5.86 2.02 0.32 -4.98 118.70 124.74 1ukk s GLU 11 Ca -0.03 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.28 1ukk s GLU 11 Cb -0.09 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1ukk s GLU 11 CO 0.01 0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.92 1ukk n GLY 12 N 3.30 -2.25 0.63 -1.39 0.00 -1.26 -1.74 105.19 102.49 1ukk n GLY 12 Ca -0.19 -1.61 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.24 -1.72 0.38 -0.02 0.00 -1.26 -4.72 105.19 97.62 1ukk n GLY 13 Ca 0.00 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.80 -0.10 0.99 5.85 -1.94 -1.21 115.31 118.10 1ukk h LEU 14 Ca -0.07 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 1ukk h LEU 14 Cb 0.21 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1ukk h LEU 14 CO 0.05 -0.48 -0.68 0.03 -0.34 0.00 0.00 178.44 177.02 1ukk h ARG 15 N -1.13 0.00 -0.00 1.25 3.08 -2.00 -3.35 114.38 112.23 1ukk h ARG 15 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1ukk h ARG 15 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1ukk h ARG 15 CO 0.16 0.68 -0.78 1.04 -1.07 0.00 0.00 179.97 180.00 1ukk n GLN 16 N -3.31 1.53 -1.71 0.04 1.13 -1.26 -4.68 117.38 109.13 1ukk n GLN 16 Ca 0.01 -0.01 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 1ukk n GLN 16 Cb 0.79 -1.28 0.21 0.00 0.11 0.00 0.00 30.24 30.07 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 -2.56 1.75 0.12 1.08 0.00 -0.46 -4.86 107.32 102.40 1ukk s GLY 17 Ca 0.06 -1.22 -0.16 0.00 0.00 0.00 0.00 44.72 43.40 1ukk s GLY 17 CO 0.68 -0.38 0.40 -1.59 0.00 0.00 0.00 173.10 172.21 1ukk s LYS 18 N -5.82 1.07 0.28 2.90 -2.85 -0.71 -4.50 119.74 110.11 1ukk s LYS 18 Ca 0.75 -0.71 0.03 0.00 -1.00 0.00 0.00 55.97 55.04 1ukk s LYS 18 Cb -0.04 0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 36.17 1ukk s LYS 18 CO 0.54 -0.42 0.25 0.20 0.10 0.00 0.00 175.35 176.02 1ukk s GLY 19 N -2.80 1.85 0.00 0.59 0.00 -0.22 -0.52 107.32 106.22 1ukk s GLY 19 Ca 0.03 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 42.91 1ukk s GLY 19 CO -0.12 -1.37 0.00 -0.62 0.00 0.00 0.00 173.10 170.99 1ukk n VAL 20 N -0.47 0.00 0.00 1.40 0.31 -0.12 -1.27 118.33 118.18 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 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 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 -3.83 5.55 1.02 0.12 -1.14 120.64 122.35 1ukk n GLU 22 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 1ukk n GLU 22 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 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 4.80 0.25 -4.62 1.43 -0.73 -2.18 118.68 117.64 1ukk s LEU 23 Ca 0.00 -2.90 -0.06 0.00 -1.03 0.00 0.00 54.13 50.14 1ukk s LEU 23 Cb 0.00 -1.75 0.27 0.00 0.03 0.00 0.00 46.19 44.74 1ukk s LEU 23 CO 0.00 -0.31 1.92 -0.61 0.23 0.00 0.00 176.35 177.58 1ukk h GLN 24 N 6.81 1.25 0.00 1.70 -0.00 -1.92 -1.86 115.11 121.09 1ukk h GLN 24 Ca -0.05 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 1ukk h GLN 24 Cb 0.93 -0.28 0.00 0.00 0.00 0.00 0.00 27.48 28.12 1ukk h GLN 24 CO 0.70 0.83 0.00 -1.13 0.00 0.00 0.00 178.83 179.22 1ukk n SER 25 N -4.43 0.16 -0.94 -0.69 3.41 -1.26 -1.86 113.62 108.02 1ukk n SER 25 Ca 0.12 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 1ukk n SER 25 Cb 0.04 -0.56 0.10 0.00 -0.26 0.00 0.00 64.21 63.53 1ukk n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ukk n GLN 26 N -1.66 2.26 -3.84 4.33 1.13 -0.74 -5.00 117.38 113.86 1ukk n GLN 26 Ca 0.05 -1.90 -0.28 0.00 -1.94 0.00 0.00 57.00 52.93 1ukk n GLN 26 Cb 0.29 -1.45 0.03 0.00 0.11 0.00 0.00 30.24 29.23 1ukk n GLN 26 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ukk n ALA 27 N 1.32 -1.41 -3.01 -1.58 0.00 -0.78 -4.98 120.51 110.08 1ukk n ALA 27 Ca 0.14 0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.39 1ukk n ALA 27 Cb 0.59 -4.19 -0.12 0.00 0.00 0.00 0.00 19.45 15.73 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 -3.36 3.08 -0.15 0.00 5.36 -0.98 -5.03 117.98 116.90 1ukk s PHE 28 Ca 0.55 -0.32 0.01 0.00 -0.96 0.00 0.00 56.93 56.21 1ukk s PHE 28 Cb -0.27 -2.08 0.02 0.00 -0.34 0.00 0.00 43.02 40.35 1ukk s PHE 28 CO 0.82 -0.14 -0.17 -0.65 -1.46 0.00 0.00 175.22 173.62 1ukk s GLN 29 N 0.83 2.58 -0.31 10.12 -0.21 -1.26 -1.77 119.66 129.64 1ukk s GLN 29 Ca 0.01 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.72 1ukk s GLN 29 Cb -0.14 -2.26 0.07 0.00 1.00 0.00 0.00 33.01 31.67 1ukk s GLN 29 CO 0.02 -0.19 0.01 0.20 -2.12 0.00 0.00 175.29 173.21 1ukk s GLY 30 N 1.30 1.79 0.39 3.09 0.00 -1.26 -5.02 107.32 107.61 1ukk s GLY 30 Ca 0.03 -1.99 -0.24 0.00 0.00 0.00 0.00 44.72 42.52 1ukk s GLY 30 CO -0.10 0.76 1.01 2.56 0.00 0.00 0.00 173.10 177.33 1ukk s PRO 31 N 1.15 4.28 0.06 2.90 0.04 -1.26 -4.33 135.00 137.84 1ukk s PRO 31 Ca -0.02 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 62.29 1ukk s PRO 31 Cb -0.20 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 31.81 1ukk s PRO 31 CO -0.03 -0.02 0.30 1.52 0.04 0.00 0.00 177.00 178.80 1ukk s TYR 32 N -1.73 -0.08 0.36 0.56 1.13 -0.40 -0.81 117.35 116.38 1ukk s TYR 32 Ca 0.57 -0.13 -0.07 0.00 -1.41 0.00 0.00 57.07 56.03 1ukk s TYR 32 Cb -0.19 0.09 0.02 0.00 -1.10 0.00 0.00 41.96 40.78 1ukk s TYR 32 CO 0.24 -0.53 0.59 -1.54 -2.51 0.00 0.00 175.55 171.79 1ukk s SER 33 N -2.28 0.61 0.07 -0.18 1.04 -1.26 -1.05 113.70 110.65 1ukk s SER 33 Ca -0.02 -1.37 -0.23 0.00 0.48 0.00 0.00 55.95 54.81 1ukk s SER 33 Cb 0.00 0.73 -0.15 0.00 0.10 0.00 0.00 66.02 66.71 1ukk s SER 33 CO -0.06 -1.44 1.64 0.22 0.98 0.00 0.00 173.24 174.59 1ukk h TYR 34 N 2.07 0.06 -0.87 5.02 5.03 -1.79 -1.37 116.97 125.13 1ukk h TYR 34 Ca -0.29 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.07 1ukk h TYR 34 Cb 1.24 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 39.44 1ukk h TYR 34 CO 1.45 0.15 0.54 -1.35 -1.32 0.00 0.00 178.16 177.63 1ukk h PRO 35 N -0.05 0.96 0.00 1.82 0.11 -1.93 0.28 132.00 133.19 1ukk h PRO 35 Ca 0.01 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 1ukk h PRO 35 Cb 0.11 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 1ukk h PRO 35 CO -0.00 0.63 -0.32 0.66 -0.21 0.00 0.00 178.00 178.76 1ukk h SER 36 N 0.98 0.00 0.08 -2.05 4.64 -1.69 -1.29 113.55 114.22 1ukk h SER 36 Ca 0.38 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.36 1ukk h SER 36 Cb 0.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1ukk h SER 36 CO -0.17 0.32 -1.85 -1.14 -0.87 0.00 0.00 176.83 173.12 1ukk n ARG 37 N -3.38 0.69 -0.01 4.77 0.63 -0.53 -4.63 116.66 114.20 1ukk n ARG 37 Ca 0.01 0.34 0.09 0.00 -0.92 0.00 0.00 57.85 57.37 1ukk n ARG 37 Cb 0.52 -1.70 -0.15 0.00 0.45 0.00 0.00 32.46 31.58 1ukk n ARG 37 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1ukk n PHE 38 N -3.77 0.00 -0.10 -0.14 3.72 0.06 -4.99 117.46 112.24 1ukk n PHE 38 Ca -0.34 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 1ukk n PHE 38 Cb 0.93 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 -2.17 3.05 -1.25 -1.08 1.02 -0.57 -5.04 120.64 114.60 1ukk n GLU 39 Ca -0.04 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.11 1ukk n GLU 39 Cb 0.51 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 32.04 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 1.36 -1.48 3.49 -0.58 -1.10 -4.76 120.64 117.57 1ukk n GLU 40 Ca 0.00 -3.02 -0.32 0.00 -0.42 0.00 0.00 57.16 53.40 1ukk n GLU 40 Cb 0.00 -1.19 0.07 0.00 -0.57 0.00 0.00 31.44 29.75 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 -2.94 1.86 0.35 0.62 0.00 -0.70 -4.93 107.32 101.58 1ukk s GLY 41 Ca 0.37 0.36 -0.29 0.00 0.00 0.00 0.00 44.72 45.17 1ukk s GLY 41 CO -0.09 0.71 1.50 1.85 0.00 0.00 0.00 173.10 177.08 1ukk s GLU 42 N -4.59 4.13 0.00 2.90 2.12 -1.26 -4.18 118.70 117.81 1ukk s GLU 42 Ca 0.63 2.55 0.00 0.00 0.36 0.00 0.00 54.97 58.51 1ukk s GLU 42 Cb -0.18 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1ukk s GLU 42 CO 0.50 -0.54 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 1ukk n GLY 43 N 0.92 0.63 0.00 -1.50 0.00 -1.26 -4.55 105.19 99.44 1ukk n GLY 43 Ca 0.03 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 0.65 0.00 -3.61 2.61 5.66 0.01 -4.97 114.28 114.63 1ukk n THR 44 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1ukk n THR 44 Cb 0.00 -0.23 -0.02 0.00 -1.55 0.00 0.00 70.33 68.53 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 0.53 -0.22 0.39 1.09 2.20 -1.26 -4.42 114.94 113.24 1ukk s ASN 45 Ca 0.00 -0.13 0.13 0.00 -0.94 0.00 0.00 52.86 51.92 1ukk s ASN 45 Cb 0.00 0.33 0.96 0.00 -2.00 0.00 0.00 41.25 40.54 1ukk s ASN 45 CO 0.00 -0.57 1.86 -0.65 -2.94 0.00 0.00 177.10 174.80 1ukk h PRO 46 N 2.00 0.52 -0.39 3.55 0.11 -1.98 -2.73 132.00 133.09 1ukk h PRO 46 Ca -0.21 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.77 1ukk h PRO 46 Cb 1.22 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1ukk h PRO 46 CO 0.27 0.34 -0.16 0.93 -0.21 0.00 0.00 178.00 179.17 1ukk h GLU 47 N 0.54 0.73 -0.61 1.05 3.07 -1.97 -1.26 114.58 116.12 1ukk h GLU 47 Ca 0.46 -0.26 -0.06 0.00 -0.50 0.00 0.00 59.36 59.00 1ukk h GLU 47 Cb 0.95 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 1ukk h GLU 47 CO -0.20 0.85 0.15 1.49 -1.40 0.00 0.00 179.01 179.90 1ukk h GLU 48 N 0.65 0.97 -0.31 2.33 4.81 -1.88 -0.23 114.58 120.92 1ukk h GLU 48 Ca 0.10 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 58.94 1ukk h GLU 48 Cb 0.64 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1ukk h GLU 48 CO 0.05 0.89 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.72 1ukk h LEU 49 N 0.89 0.85 -0.43 1.64 4.07 -1.35 -1.91 115.31 119.06 1ukk h LEU 49 Ca 0.19 -0.40 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 1ukk h LEU 49 Cb 0.35 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1ukk h LEU 49 CO 0.00 1.16 0.22 0.40 -1.08 0.00 0.00 178.44 179.14 1ukk h ILE 50 N 0.64 1.17 -0.60 1.22 1.08 -1.03 -1.37 117.51 118.63 1ukk h ILE 50 Ca 0.04 -0.48 0.08 0.00 -0.39 0.00 0.00 64.86 64.12 1ukk h ILE 50 Cb 0.99 0.69 -0.07 0.00 -3.07 0.00 0.00 36.82 35.37 1ukk h ILE 50 CO 0.09 0.19 0.25 0.00 -0.69 0.00 0.00 178.15 177.99 1ukk h ALA 51 N 1.07 0.78 -0.46 1.87 0.00 -0.75 0.32 119.26 122.09 1ukk h ALA 51 Ca 0.15 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1ukk h ALA 51 Cb 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ukk h ALA 51 CO -0.02 -0.15 0.16 0.00 0.00 0.00 0.00 179.25 179.24 1ukk h ALA 52 N 1.38 0.61 -0.49 0.00 0.00 -1.11 0.38 119.26 120.03 1ukk h ALA 52 Ca 0.29 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1ukk h ALA 52 Cb 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1ukk h ALA 52 CO -0.26 0.24 0.24 0.00 0.00 0.00 0.00 179.25 179.47 1ukk h ALA 53 N 1.01 0.62 -0.27 0.00 0.00 -0.91 0.34 119.26 120.05 1ukk h ALA 53 Ca 0.15 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1ukk h ALA 53 Cb 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ukk h ALA 53 CO -0.01 -0.11 -0.37 1.25 0.00 0.00 0.00 179.25 180.01 1ukk h HIS 54 N 0.47 0.90 -0.56 0.00 2.76 -0.61 -2.93 115.15 115.18 1ukk h HIS 54 Ca 0.22 -0.30 0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1ukk h HIS 54 Cb 0.13 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 28.87 1ukk h HIS 54 CO -0.11 1.07 0.31 0.00 -1.30 0.00 0.00 177.93 177.90 1ukk h ALA 55 N 0.68 0.73 0.00 5.26 0.00 -0.84 0.15 119.26 125.24 1ukk h ALA 55 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ukk h ALA 55 Cb 0.96 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ukk h ALA 55 CO 0.09 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1ukk n GLY 56 N -1.26 0.47 0.00 0.00 0.00 0.10 -1.46 105.19 103.04 1ukk n GLY 56 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.53 0.00 0.09 1.61 7.35 0.04 -4.64 117.46 122.44 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 0.09 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.92 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 0.07 0.00 -2.13 7.64 -0.53 -0.59 113.62 118.07 1ukk n SER 59 Ca 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1ukk n SER 59 Cb 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.32 0.00 -0.10 -0.43 0.00 -1.26 -1.94 120.51 117.10 1ukk n ALA 61 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1ukk n ALA 61 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.45 0.00 5.85 -1.20 -1.59 115.31 118.38 1ukk h LEU 62 Ca 0.00 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1ukk h LEU 62 Cb 0.00 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1ukk h LEU 62 CO 0.00 0.54 0.26 0.00 -0.34 0.00 0.00 178.44 178.90 1ukk h ALA 63 N 0.93 0.57 -0.81 1.25 0.00 -1.61 0.33 119.26 119.91 1ukk h ALA 63 Ca 0.10 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ukk h ALA 63 Cb 0.25 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1ukk h ALA 63 CO -0.00 -0.07 0.52 0.00 0.00 0.00 0.00 179.25 179.70 1ukk h ALA 64 N 1.21 1.05 0.03 0.00 0.00 -1.79 -0.90 119.26 118.86 1ukk h ALA 64 Ca 0.18 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 1ukk h ALA 64 Cb 0.03 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ukk h ALA 64 CO -0.09 0.36 -1.05 1.03 0.00 0.00 0.00 179.25 179.50 1ukk h SER 65 N 1.03 0.68 -0.81 0.00 0.87 -0.82 -1.36 113.55 113.14 1ukk h SER 65 Ca 0.31 -0.58 0.05 0.00 -1.23 0.00 0.00 61.79 60.35 1ukk h SER 65 Cb -0.03 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 61.67 1ukk h SER 65 CO -0.10 1.38 0.50 -0.07 -0.53 0.00 0.00 176.83 178.01 1ukk h LEU 66 N 0.27 0.80 -0.74 2.23 3.38 -0.85 -2.06 115.31 118.33 1ukk h LEU 66 Ca -0.12 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1ukk h LEU 66 Cb 1.70 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 1ukk h LEU 66 CO 0.19 0.52 0.37 -0.08 0.09 0.00 0.00 178.44 179.53 1ukk h GLU 67 N 0.93 1.06 0.00 1.13 4.81 -0.90 -0.53 114.58 121.08 1ukk h GLU 67 Ca 0.35 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1ukk h GLU 67 Cb 0.12 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1ukk h GLU 67 CO -0.15 0.82 -0.03 0.00 -0.73 0.00 0.00 179.01 178.92 1ukk h ARG 68 N 1.04 0.00 -0.02 1.92 3.08 -0.58 -0.85 114.38 118.97 1ukk h ARG 68 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1ukk h ARG 68 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1ukk h ARG 68 CO -0.03 0.03 -0.03 0.39 -1.07 0.00 0.00 179.97 179.26 1ukk n GLU 69 N -3.47 1.75 -0.36 0.04 -0.58 -0.80 -4.92 120.64 112.30 1ukk n GLU 69 Ca -0.02 -1.15 0.00 0.00 -0.42 0.00 0.00 57.16 55.57 1ukk n GLU 69 Cb 0.13 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 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 1.23 0.79 2.52 0.62 0.00 -0.33 -5.01 105.19 105.01 1ukk n GLY 70 Ca 0.17 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.36 2.14 -1.71 1.61 3.72 -0.28 -4.99 117.46 115.59 1ukk n PHE 71 Ca 0.00 -3.91 -0.43 0.00 -0.05 0.00 0.00 57.45 53.07 1ukk n PHE 71 Cb 0.00 -0.46 -0.01 0.00 -0.94 0.00 0.00 39.48 38.07 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 0.30 2.33 -2.84 -1.08 -0.04 -1.25 -3.80 135.00 128.62 1ukk n PRO 72 Ca 0.28 0.82 -0.36 0.00 -0.04 0.00 0.00 63.50 64.20 1ukk n PRO 72 Cb 0.50 -2.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.40 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 -1.18 4.44 0.11 0.54 0.04 -1.26 -4.52 135.00 133.18 1ukk s PRO 73 Ca 0.61 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.69 1ukk s PRO 73 Cb -0.56 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1ukk s PRO 73 CO 0.56 0.21 1.60 -0.22 0.04 0.00 0.00 177.00 179.19 1ukk h LYS 74 N 2.86 0.55 -2.33 4.56 3.64 -1.51 -3.46 116.57 120.89 1ukk h LYS 74 Ca -0.47 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 58.70 1ukk h LYS 74 Cb 1.19 -0.07 -0.23 0.00 -0.41 0.00 0.00 32.23 32.71 1ukk h LYS 74 CO 0.64 0.63 -0.07 0.50 -2.27 0.00 0.00 179.45 178.87 1ukk s ARG 75 N -5.22 0.63 -0.17 1.90 3.52 -1.10 -5.00 118.95 113.52 1ukk s ARG 75 Ca -0.13 0.88 0.01 0.00 -0.13 0.00 0.00 55.73 56.35 1ukk s ARG 75 Cb 0.09 0.23 0.03 0.00 -1.56 0.00 0.00 34.95 33.74 1ukk s ARG 75 CO 0.76 -0.11 -0.15 0.08 -0.81 0.00 0.00 175.30 175.07 1ukk s VAL 76 N 0.74 1.72 -0.19 7.11 1.01 -1.26 -0.28 120.40 129.25 1ukk s VAL 76 Ca -0.04 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1ukk s VAL 76 Cb -0.05 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1ukk s VAL 76 CO -0.05 0.42 -0.12 -0.44 0.00 0.00 0.00 175.10 174.90 1ukk s SER 77 N 1.42 3.79 -0.07 3.32 0.01 -0.47 -4.95 113.70 116.75 1ukk s SER 77 Ca 0.04 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.84 1ukk s SER 77 Cb -0.14 -1.61 0.01 0.00 0.21 0.00 0.00 66.02 64.49 1ukk s SER 77 CO -0.11 0.02 -0.16 -0.89 0.41 0.00 0.00 173.24 172.52 1ukk s THR 78 N 1.20 1.39 -0.19 1.44 2.01 -1.26 -1.05 115.64 119.18 1ukk s THR 78 Ca 0.02 -0.64 -0.08 0.00 0.31 0.00 0.00 61.69 61.30 1ukk s THR 78 Cb -0.14 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1ukk s THR 78 CO -0.05 0.41 0.08 -0.70 -0.69 0.00 0.00 174.62 173.67 1ukk s GLU 79 N 0.45 4.02 -0.10 4.92 2.12 0.17 -4.90 118.70 125.39 1ukk s GLU 79 Ca -0.13 -0.31 -0.01 0.00 0.36 0.00 0.00 54.97 54.88 1ukk s GLU 79 Cb -0.15 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 1ukk s GLU 79 CO 0.04 0.26 -0.05 0.00 -0.54 0.00 0.00 175.26 174.98 1ukk s ALA 80 N 0.42 3.05 -0.16 6.30 0.00 -1.26 -0.93 121.76 129.18 1ukk s ALA 80 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1ukk s ALA 80 Cb -0.12 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.66 1ukk s ALA 80 CO -0.00 0.48 -0.14 1.03 0.00 0.00 0.00 175.76 177.12 1ukk s ARG 81 N -0.50 2.34 -0.24 0.00 0.52 -0.10 -4.89 118.95 116.07 1ukk s ARG 81 Ca 0.08 -0.63 -0.06 0.00 -0.52 0.00 0.00 55.73 54.61 1ukk s ARG 81 Cb -0.12 -2.20 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 1ukk s ARG 81 CO 0.02 -0.26 0.02 0.08 0.02 0.00 0.00 175.30 175.18 1ukk s VAL 82 N 1.45 3.85 -0.22 3.52 1.01 -1.26 -0.82 120.40 127.93 1ukk s VAL 82 Ca 0.04 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 1ukk s VAL 82 Cb -0.13 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1ukk s VAL 82 CO -0.11 0.36 0.46 -1.00 0.00 0.00 0.00 175.10 174.82 1ukk s HIS 83 N 1.55 3.34 -0.22 5.22 3.76 -0.28 -5.02 115.29 123.64 1ukk s HIS 83 Ca 0.06 0.65 -0.02 0.00 -0.15 0.00 0.00 55.06 55.60 1ukk s HIS 83 Cb -0.15 -2.62 0.00 0.00 1.11 0.00 0.00 32.58 30.92 1ukk s HIS 83 CO 0.00 -0.12 -0.08 -1.17 -0.85 0.00 0.00 174.74 172.52 1ukk s LEU 84 N 1.71 2.76 0.39 0.89 2.96 -1.26 -1.37 118.68 124.75 1ukk s LEU 84 Ca 0.21 -0.54 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 1ukk s LEU 84 Cb -0.15 -1.66 -0.06 0.00 0.50 0.00 0.00 46.19 44.81 1ukk s LEU 84 CO 0.09 -0.03 0.04 -1.61 -1.32 0.00 0.00 176.35 173.52 1ukk s GLU 85 N 1.41 2.04 -0.36 1.98 0.41 -0.32 -4.91 118.70 118.95 1ukk s GLU 85 Ca 0.05 -1.93 0.07 0.00 -0.41 0.00 0.00 54.97 52.74 1ukk s GLU 85 Cb -0.14 -1.81 0.59 0.00 -1.78 0.00 0.00 34.13 30.99 1ukk s GLU 85 CO -0.06 -0.00 1.69 0.28 -0.49 0.00 0.00 175.26 176.68 1ukk n VAL 86 N -1.02 2.86 -5.27 2.63 0.31 -1.26 0.34 118.33 116.93 1ukk n VAL 86 Ca -0.04 -2.30 -0.31 0.00 -0.01 0.00 0.00 64.34 61.68 1ukk n VAL 86 Cb 0.65 -0.39 -0.16 0.00 -0.91 0.00 0.00 33.84 33.03 1ukk n VAL 86 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ukk s VAL 87 N -3.25 2.08 -0.52 2.52 1.01 -0.24 -2.78 120.40 119.23 1ukk s VAL 87 Ca 0.51 -1.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 1ukk s VAL 87 Cb 0.44 -1.74 0.14 0.00 0.00 0.00 0.00 36.38 35.21 1ukk s VAL 87 CO 0.06 0.57 0.36 -0.62 0.00 0.00 0.00 175.10 175.47 1ukk s ASP 88 N -0.27 5.49 0.00 3.32 2.15 -1.26 -4.14 116.67 121.96 1ukk s ASP 88 Ca -0.00 -2.29 0.00 0.00 0.43 0.00 0.00 52.55 50.68 1ukk s ASP 88 Cb -0.13 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.57 1ukk s ASP 88 CO 0.03 -0.54 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 1ukk n GLY 89 N 4.31 0.39 2.86 2.66 0.00 -1.12 -5.02 105.19 109.27 1ukk n GLY 89 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1ukk n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ukk s LYS 90 N -0.71 0.03 0.19 1.61 -2.85 -1.16 -5.11 119.74 111.74 1ukk s LYS 90 Ca 0.00 0.02 -0.31 0.00 -1.00 0.00 0.00 55.97 54.68 1ukk s LYS 90 Cb 0.00 -0.08 -0.09 0.00 -2.06 0.00 0.00 37.83 35.60 1ukk s LYS 90 CO 0.00 -0.02 1.43 -1.25 0.10 0.00 0.00 175.35 175.61 1ukk s PRO 91 N 0.18 4.29 0.01 1.78 0.04 -1.25 -1.08 135.00 138.97 1ukk s PRO 91 Ca -0.01 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1ukk s PRO 91 Cb -0.02 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 1ukk s PRO 91 CO -0.00 -0.43 -0.02 0.99 0.04 0.00 0.00 177.00 177.57 1ukk s THR 92 N 0.54 0.10 -0.59 1.26 2.01 0.15 -4.88 115.64 114.24 1ukk s THR 92 Ca 0.62 -0.46 -0.26 0.00 0.31 0.00 0.00 61.69 61.91 1ukk s THR 92 Cb -0.40 -0.17 0.04 0.00 0.01 0.00 0.00 72.50 71.98 1ukk s THR 92 CO 0.36 -0.23 1.06 -0.76 -0.69 0.00 0.00 174.62 174.37 1ukk s LEU 93 N -0.71 3.82 -0.14 4.42 1.43 -1.26 -1.18 118.68 125.06 1ukk s LEU 93 Ca -0.07 -0.26 0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1ukk s LEU 93 Cb -0.05 -2.88 -0.23 0.00 0.03 0.00 0.00 46.19 43.06 1ukk s LEU 93 CO -0.00 -1.39 0.31 0.35 0.23 0.00 0.00 176.35 175.84 1ukk n THR 94 N 6.35 1.54 -3.73 5.49 -2.24 -0.47 -4.44 114.28 116.77 1ukk n THR 94 Ca 0.04 -0.78 -0.13 0.00 -2.27 0.00 0.00 64.05 60.91 1ukk n THR 94 Cb 0.48 -0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 1ukk n THR 94 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1ukk s ARG 95 N -2.54 0.51 -0.07 -0.78 3.52 -1.25 -3.01 118.95 115.33 1ukk s ARG 95 Ca -0.12 0.59 0.04 0.00 -0.13 0.00 0.00 55.73 56.11 1ukk s ARG 95 Cb 0.07 0.25 -0.00 0.00 -1.56 0.00 0.00 34.95 33.71 1ukk s ARG 95 CO 0.79 -0.06 -0.20 0.42 -0.81 0.00 0.00 175.30 175.44 1ukk s ILE 96 N 0.20 1.71 -0.13 4.11 1.01 0.02 -1.13 121.20 126.99 1ukk s ILE 96 Ca -0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1ukk s ILE 96 Cb -0.03 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 1ukk s ILE 96 CO 0.01 0.48 0.01 -1.61 0.00 0.00 0.00 174.94 173.83 1ukk s GLU 97 N 0.17 3.43 -0.14 2.79 2.02 -0.00 -1.34 118.70 125.63 1ukk s GLU 97 Ca -0.10 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.50 1ukk s GLU 97 Cb -0.15 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1ukk s GLU 97 CO 0.05 0.48 -0.19 -0.51 0.02 0.00 0.00 175.26 175.11 1ukk s LEU 98 N -0.26 2.30 -0.23 1.80 1.43 -0.12 -0.93 118.68 122.67 1ukk s LEU 98 Ca 0.06 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1ukk s LEU 98 Cb -0.12 -1.50 0.05 0.00 0.03 0.00 0.00 46.19 44.65 1ukk s LEU 98 CO 0.02 0.11 -0.09 -0.76 0.23 0.00 0.00 176.35 175.86 1ukk s LEU 99 N 0.66 2.76 -0.04 1.79 1.02 -0.10 -1.10 118.68 123.67 1ukk s LEU 99 Ca -0.10 -1.15 0.07 0.00 0.02 0.00 0.00 54.13 52.97 1ukk s LEU 99 Cb -0.16 -1.33 -0.01 0.00 0.02 0.00 0.00 46.19 44.71 1ukk s LEU 99 CO 0.02 -0.19 -0.24 0.42 0.02 0.00 0.00 176.35 176.38 1ukk s THR 100 N 1.29 1.95 -0.11 5.49 -4.23 0.12 -0.65 115.64 119.51 1ukk s THR 100 Ca -0.05 -1.03 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 1ukk s THR 100 Cb -0.18 -1.64 0.01 0.00 1.34 0.00 0.00 72.50 72.03 1ukk s THR 100 CO -0.07 0.55 -0.19 -1.61 -0.54 0.00 0.00 174.62 172.76 1ukk s GLU 101 N -0.32 2.60 -0.03 3.99 2.02 -0.21 -1.32 118.70 125.44 1ukk s GLU 101 Ca 0.02 -0.71 0.05 0.00 0.02 0.00 0.00 54.97 54.35 1ukk s GLU 101 Cb -0.12 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 1ukk s GLU 101 CO 0.02 0.03 -0.17 0.00 0.02 0.00 0.00 175.26 175.15 1ukk s ALA 102 N 0.73 1.48 -0.42 5.21 0.00 -0.14 -1.36 121.76 127.26 1ukk s ALA 102 Ca -0.11 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 1ukk s ALA 102 Cb -0.16 -0.43 0.06 0.00 0.00 0.00 0.00 23.12 22.59 1ukk s ALA 102 CO 0.02 0.32 0.29 -2.00 0.00 0.00 0.00 175.76 174.39 1ukk s GLU 103 N -0.22 2.79 -0.29 0.00 2.12 0.61 -0.77 118.70 122.95 1ukk s GLU 103 Ca 0.02 -1.30 -0.01 0.00 0.36 0.00 0.00 54.97 54.04 1ukk s GLU 103 Cb -0.09 -3.88 0.09 0.00 0.26 0.00 0.00 34.13 30.51 1ukk s GLU 103 CO 0.00 -0.89 0.09 0.08 -0.54 0.00 0.00 175.26 174.00 1ukk s VAL 104 N 1.54 0.75 0.23 3.70 1.01 -1.26 -1.18 120.40 125.18 1ukk s VAL 104 Ca 0.03 -1.19 -0.32 0.00 0.00 0.00 0.00 61.98 60.51 1ukk s VAL 104 Cb -0.22 -1.50 -0.14 0.00 0.00 0.00 0.00 36.38 34.53 1ukk s VAL 104 CO 0.05 -0.58 1.40 -2.65 0.00 0.00 0.00 175.10 173.32 1ukk n PRO 105 N 4.92 1.97 0.00 2.72 -0.02 -1.26 -3.51 135.00 139.81 1ukk n PRO 105 Ca -0.04 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1ukk n PRO 105 Cb 0.43 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 2.23 2.68 3.81 -1.23 0.00 -1.26 -4.89 105.19 106.53 1ukk n GLY 106 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.70 4.24 0.64 -0.61 2.07 -1.23 -5.04 121.20 120.57 1ukk s ILE 107 Ca 0.00 1.48 -0.14 0.00 -1.41 0.00 0.00 60.65 60.58 1ukk s ILE 107 Cb 0.00 -3.64 -0.01 0.00 0.13 0.00 0.00 42.46 38.93 1ukk s ILE 107 CO 0.00 -0.22 1.06 -0.94 -1.91 0.00 0.00 174.94 172.93 1ukk s SER 108 N -2.04 5.53 0.20 4.50 1.04 -1.26 -4.93 113.70 116.74 1ukk s SER 108 Ca 0.61 1.76 -0.12 0.00 0.48 0.00 0.00 55.95 58.68 1ukk s SER 108 Cb -0.12 -2.52 0.13 0.00 0.10 0.00 0.00 66.02 63.61 1ukk s SER 108 CO 0.16 -1.34 1.86 -1.28 0.98 0.00 0.00 173.24 173.63 1ukk h SER 109 N -0.06 0.75 -0.54 7.02 0.87 -1.99 -1.94 113.55 117.65 1ukk h SER 109 Ca -0.46 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.12 1ukk h SER 109 Cb 1.22 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.96 1ukk h SER 109 CO 0.57 0.54 0.31 -0.08 -0.53 0.00 0.00 176.83 177.63 1ukk h GLU 110 N 0.88 0.60 -0.42 2.24 4.81 -1.99 -0.82 114.58 119.87 1ukk h GLU 110 Ca 0.25 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1ukk h GLU 110 Cb -0.08 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1ukk h GLU 110 CO -0.06 0.39 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.33 1ukk h LYS 111 N 0.61 0.79 0.05 1.92 1.63 -1.93 -1.35 116.57 118.29 1ukk h LYS 111 Ca 0.23 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1ukk h LYS 111 Cb 0.06 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 1ukk h LYS 111 CO -0.12 0.89 -0.13 0.35 -3.45 0.00 0.00 179.45 177.00 1ukk h PHE 112 N 0.62 -0.33 -0.73 1.91 3.57 -1.13 -1.41 116.94 119.44 1ukk h PHE 112 Ca 0.11 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1ukk h PHE 112 Cb 0.58 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 1ukk h PHE 112 CO 0.05 -0.19 0.39 -0.07 -2.23 0.00 0.00 178.31 176.25 1ukk h LEU 113 N -0.24 0.91 -0.27 0.59 3.38 -1.04 -0.38 115.31 118.26 1ukk h LEU 113 Ca 0.03 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ukk h LEU 113 Cb 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1ukk h LEU 113 CO -0.09 0.74 0.11 -0.33 0.09 0.00 0.00 178.44 178.96 1ukk h GLU 114 N 1.02 0.24 -0.48 1.13 5.08 -0.96 -1.84 114.58 118.78 1ukk h GLU 114 Ca 0.26 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1ukk h GLU 114 Cb 0.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1ukk h GLU 114 CO -0.04 0.16 0.10 0.82 -1.00 0.00 0.00 179.01 179.05 1ukk h ILE 115 N 0.25 1.24 -0.30 3.13 2.04 -0.80 -2.50 117.51 120.57 1ukk h ILE 115 Ca 0.11 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1ukk h ILE 115 Cb 0.06 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1ukk h ILE 115 CO -0.10 0.31 0.09 0.00 0.00 0.00 0.00 178.15 178.45 1ukk h ALA 116 N 0.97 0.40 -0.21 1.87 0.00 -0.98 -0.59 119.26 120.71 1ukk h ALA 116 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ukk h ALA 116 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ukk h ALA 116 CO 0.00 0.04 0.03 1.49 0.00 0.00 0.00 179.25 180.81 1ukk h GLU 117 N 0.33 0.30 0.00 0.00 4.57 -1.24 -2.26 114.58 116.29 1ukk h GLU 117 Ca 0.10 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 58.08 1ukk h GLU 117 Cb 0.26 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1ukk h GLU 117 CO -0.00 0.30 -0.77 0.00 -1.18 0.00 0.00 179.01 177.37 1ukk h ALA 118 N 1.74 0.60 0.00 2.92 0.00 -1.01 -3.18 119.26 120.32 1ukk h ALA 118 Ca 0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1ukk h ALA 118 Cb 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ukk h ALA 118 CO -0.00 0.96 -0.11 0.00 0.00 0.00 0.00 179.25 180.10 1ukk h ALA 119 N 1.23 0.97 -0.19 0.00 0.00 -0.55 -3.03 119.26 117.70 1ukk h ALA 119 Ca -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ukk h ALA 119 Cb 1.47 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1ukk h ALA 119 CO 0.10 0.13 -0.01 -0.22 0.00 0.00 0.00 179.25 179.25 1ukk h LYS 120 N 0.00 0.28 -1.31 0.00 3.64 -1.44 -3.21 116.57 114.53 1ukk h LYS 120 Ca -0.00 -0.04 -0.67 0.00 -1.27 0.00 0.00 60.65 58.66 1ukk h LYS 120 Cb 0.79 -0.05 -0.32 0.00 -0.41 0.00 0.00 32.23 32.24 1ukk h LYS 120 CO 0.01 0.31 0.48 0.39 -2.27 0.00 0.00 179.45 178.37 1ukk n GLU 121 N -4.37 2.94 0.00 1.90 -0.58 -1.14 -4.79 120.64 114.60 1ukk n GLU 121 Ca -0.00 -3.64 0.00 0.00 -0.42 0.00 0.00 57.16 53.10 1ukk n GLU 121 Cb 0.19 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 28.78 1ukk n GLU 121 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ukk n GLY 122 N -0.73 0.00 3.54 0.62 0.00 -1.21 -5.04 105.19 102.36 1ukk n GLY 122 Ca 0.55 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 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 1.83 0.08 -0.01 0.00 0.11 -1.99 -2.35 132.00 129.66 1ukk h PRO 124 Ca -0.39 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 1ukk h PRO 124 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ukk h PRO 124 CO 0.65 0.05 -0.27 0.28 -0.21 0.00 0.00 178.00 178.51 1ukk h VAL 125 N 0.08 1.51 -0.47 3.15 2.07 -1.97 -0.99 116.25 119.64 1ukk h VAL 125 Ca 0.43 -1.88 0.08 0.00 0.82 0.00 0.00 66.70 66.15 1ukk h VAL 125 Cb 0.77 2.66 -0.06 0.00 -1.52 0.00 0.00 31.29 33.14 1ukk h VAL 125 CO -0.72 0.52 0.10 0.28 0.02 0.00 0.00 177.57 177.77 1ukk h SER 126 N -0.42 0.01 -0.35 0.57 0.02 -1.79 -0.99 113.55 110.59 1ukk h SER 126 Ca -0.03 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 1ukk h SER 126 Cb 0.99 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1ukk h SER 126 CO 0.05 0.04 -0.25 0.03 -1.14 0.00 0.00 176.83 175.57 1ukk h ARG 127 N 0.23 0.79 -0.99 3.45 3.08 -1.44 -2.75 114.38 116.75 1ukk h ARG 127 Ca 0.23 -0.38 0.09 0.00 0.07 0.00 0.00 59.98 59.99 1ukk h ARG 127 Cb 0.30 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 1ukk h ARG 127 CO -0.30 1.00 0.63 0.00 -1.07 0.00 0.00 179.97 180.24 1ukk h ALA 128 N 0.77 1.42 -0.06 0.04 0.00 -1.00 -2.74 119.26 117.69 1ukk h ALA 128 Ca 0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1ukk h ALA 128 Cb 0.81 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ukk h ALA 128 CO 0.07 0.34 0.03 1.28 0.00 0.00 0.00 179.25 180.97 1ukk n LEU 129 N -4.56 5.48 0.27 0.00 4.77 -0.39 -4.50 117.00 118.07 1ukk n LEU 129 Ca 0.17 -2.55 0.12 0.00 -0.03 0.00 0.00 56.01 53.71 1ukk n LEU 129 Cb 0.25 -1.13 0.75 0.00 -2.33 0.00 0.00 43.42 40.96 1ukk n LEU 129 CO 0.30 1.07 1.02 0.00 -1.33 0.00 0.00 177.39 178.45 1ukk h ALA 130 N 1.15 1.49 0.00 -1.18 0.00 -1.59 -2.61 119.26 116.52 1ukk h ALA 130 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ukk h ALA 130 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ukk h ALA 130 CO 0.10 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1ukk n GLY 131 N -1.04 -1.31 3.68 0.00 0.00 -1.26 -4.64 105.19 100.62 1ukk n GLY 131 Ca -0.02 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1ukk n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukk s VAL 132 N -3.30 4.19 0.35 1.61 1.01 -0.98 -4.94 120.40 118.33 1ukk s VAL 132 Ca 0.05 1.50 0.11 0.00 0.00 0.00 0.00 61.98 63.63 1ukk s VAL 132 Cb 0.10 -3.96 0.08 0.00 0.00 0.00 0.00 36.38 32.59 1ukk s VAL 132 CO 0.41 -0.05 1.79 0.11 0.00 0.00 0.00 175.10 177.36 1ukk h LYS 133 N 7.80 0.07 -3.24 2.72 1.57 -1.77 -3.44 116.57 120.29 1ukk h LYS 133 Ca -0.32 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.14 1ukk h LYS 133 Cb 1.14 -0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.10 1ukk h LYS 133 CO 0.92 0.44 -0.66 -2.00 -0.57 0.00 0.00 179.45 177.58 1ukk s GLU 134 N -4.19 0.02 -0.23 3.15 2.12 -1.16 -5.05 118.70 113.36 1ukk s GLU 134 Ca -0.03 0.42 0.01 0.00 0.36 0.00 0.00 54.97 55.73 1ukk s GLU 134 Cb 0.14 -0.29 0.04 0.00 0.26 0.00 0.00 34.13 34.28 1ukk s GLU 134 CO 0.74 -0.25 -0.14 0.08 -0.54 0.00 0.00 175.26 175.15 1ukk s VAL 135 N 1.78 2.28 -0.21 3.70 1.01 -1.26 -0.80 120.40 126.90 1ukk s VAL 135 Ca -0.02 -1.23 -0.04 0.00 0.00 0.00 0.00 61.98 60.70 1ukk s VAL 135 Cb -0.12 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1ukk s VAL 135 CO -0.05 0.25 -0.05 -0.69 0.00 0.00 0.00 175.10 174.56 1ukk s VAL 136 N 1.22 3.40 -0.17 2.92 1.01 -0.45 -5.00 120.40 123.34 1ukk s VAL 136 Ca -0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1ukk s VAL 136 Cb -0.16 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1ukk s VAL 136 CO -0.08 0.43 0.07 -0.22 0.00 0.00 0.00 175.10 175.30 1ukk s LEU 137 N 1.33 3.90 -0.11 3.92 2.96 -1.26 -0.95 118.68 128.47 1ukk s LEU 137 Ca 0.04 0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1ukk s LEU 137 Cb -0.14 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.58 1ukk s LEU 137 CO -0.02 0.22 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.15 1ukk s THR 138 N 0.11 1.75 -0.00 3.68 2.01 -0.26 -4.99 115.64 117.94 1ukk s THR 138 Ca 0.06 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1ukk s THR 138 Cb -0.12 -1.56 -0.00 0.00 0.01 0.00 0.00 72.50 70.83 1ukk s THR 138 CO 0.00 0.49 -0.04 0.00 -0.69 0.00 0.00 174.62 174.38 1ukk s ALA 139 N 0.74 0.36 -0.02 7.40 0.00 -1.26 -0.70 121.76 128.28 1ukk s ALA 139 Ca -0.11 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 1ukk s ALA 139 Cb -0.16 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1ukk s ALA 139 CO 0.02 0.08 0.25 -0.98 0.00 0.00 0.00 175.76 175.12 1ukk s ARG 140 N -0.21 0.58 0.12 0.00 1.70 -0.43 -4.98 118.95 115.72 1ukk s ARG 140 Ca 0.01 -0.22 -0.30 0.00 -0.47 0.00 0.00 55.73 54.75 1ukk s ARG 140 Cb -0.02 0.25 -0.06 0.00 -0.57 0.00 0.00 34.95 34.55 1ukk s ARG 140 CO -0.00 -0.15 0.98 -0.51 -1.08 0.00 0.00 175.30 174.54 1ukk s LEU 141 N -1.23 4.50 0.00 -1.89 1.43 -1.26 -0.96 118.68 119.26 1ukk s LEU 141 Ca -0.13 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 1ukk s LEU 141 Cb -0.06 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1ukk s LEU 141 CO 0.03 -0.09 0.47 1.33 0.23 0.00 0.00 176.35 178.32