#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5i s LYS 2 N 0.00 3.73 0.00 0.03 1.02 -1.26 -0.52 119.74 122.73 2k5i s LYS 2 Ca 0.00 0.27 0.06 0.00 0.02 0.00 0.00 55.97 56.32 2k5i s LYS 2 Cb 0.00 -3.82 0.31 0.00 -0.52 0.00 0.00 37.83 33.81 2k5i s LYS 2 CO 0.00 -0.86 1.08 1.47 -0.92 0.00 0.00 175.35 176.12 2k5i n LEU 3 N 6.42 0.00 0.32 3.17 -0.00 -1.25 -2.30 117.00 123.36 2k5i n LEU 3 Ca 0.03 0.32 0.20 0.00 -0.00 0.00 0.00 56.01 56.56 2k5i n LEU 3 Cb 0.48 -0.32 1.08 0.00 -0.00 0.00 0.00 43.42 44.66 2k5i n LEU 3 CO 0.54 -0.25 1.17 -1.28 -0.00 0.00 0.00 177.39 177.56 2k5i h SER 4 N 0.00 0.00 0.00 1.45 0.87 -1.90 -1.71 113.55 112.26 2k5i h SER 4 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k5i h SER 4 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2k5i h SER 4 CO 0.00 0.00 -0.07 -2.11 -0.53 0.00 0.00 176.83 174.12 2k5i n ARG 5 N -3.20 1.22 -2.85 2.24 1.85 -0.97 -4.97 116.66 109.98 2k5i n ARG 5 Ca -0.02 -2.24 -0.34 0.00 -1.00 0.00 0.00 57.85 54.24 2k5i n ARG 5 Cb 0.16 -1.30 -0.07 0.00 -1.05 0.00 0.00 32.46 30.19 2k5i n ARG 5 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2k5i s LEU 6 N -2.28 4.10 0.01 2.89 2.96 -0.64 -4.96 118.68 120.76 2k5i s LEU 6 Ca 0.24 1.69 -0.29 0.00 -0.22 0.00 0.00 54.13 55.56 2k5i s LEU 6 Cb 0.21 -4.28 -0.04 0.00 0.50 0.00 0.00 46.19 42.59 2k5i s LEU 6 CO 0.02 -0.23 0.92 -0.69 -1.32 0.00 0.00 176.35 175.05 2k5i s VAL 7 N -1.94 4.82 0.12 1.68 1.01 -1.26 -4.98 120.40 119.85 2k5i s VAL 7 Ca 0.56 1.94 -0.33 0.00 0.00 0.00 0.00 61.98 64.15 2k5i s VAL 7 Cb -0.13 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 31.86 2k5i s VAL 7 CO 0.17 0.22 1.68 -2.65 0.00 0.00 0.00 175.10 174.52 2k5i n PRO 8 N 3.60 2.31 0.00 2.72 -0.02 -1.26 -2.10 135.00 140.25 2k5i n PRO 8 Ca 0.04 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2k5i n PRO 8 Cb 0.51 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2k5i n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k5i n GLY 9 N 3.74 0.36 3.54 -1.23 0.00 0.60 -5.00 105.19 107.19 2k5i n GLY 9 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2k5i n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5i s VAL 10 N -2.00 5.09 0.01 1.61 1.01 -0.89 -4.99 120.40 120.24 2k5i s VAL 10 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 2k5i s VAL 10 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 2k5i s VAL 10 CO 0.00 0.16 1.28 -2.84 0.00 0.00 0.00 175.10 173.70 2k5i s PRO 11 N 1.71 4.35 0.40 2.72 0.02 -1.26 -3.66 135.00 139.28 2k5i s PRO 11 Ca 0.06 1.83 0.07 0.00 0.02 0.00 0.00 61.00 62.99 2k5i s PRO 11 Cb -0.16 -3.47 -0.07 0.00 0.02 0.00 0.00 34.50 30.81 2k5i s PRO 11 CO 0.09 -0.43 0.02 0.00 -0.33 0.00 0.00 177.00 176.35 2k5i s ALA 12 N 1.84 3.21 -0.09 -1.55 0.00 0.12 -0.80 121.76 124.49 2k5i s ALA 12 Ca 0.60 -2.24 0.02 0.00 0.00 0.00 0.00 51.96 50.34 2k5i s ALA 12 Cb -0.29 0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.88 2k5i s ALA 12 CO 0.26 -0.10 -0.15 0.50 0.00 0.00 0.00 175.76 176.28 2k5i s ARG 13 N -3.73 2.05 -0.35 0.00 3.00 0.20 -0.57 118.95 119.56 2k5i s ARG 13 Ca 0.36 -0.52 -0.28 0.00 -1.00 0.00 0.00 55.73 54.29 2k5i s ARG 13 Cb 0.08 -1.71 -0.03 0.00 0.00 0.00 0.00 34.95 33.29 2k5i s ARG 13 CO 0.19 -0.01 1.91 0.42 0.00 0.00 0.00 175.30 177.81 2k5i s ILE 14 N 0.82 3.35 -0.16 4.11 -1.09 0.13 -2.03 121.20 126.33 2k5i s ILE 14 Ca -0.11 0.34 -0.25 0.00 -2.23 0.00 0.00 60.65 58.40 2k5i s ILE 14 Cb -0.16 -3.53 -0.24 0.00 -1.58 0.00 0.00 42.46 36.96 2k5i s ILE 14 CO 0.02 -0.37 0.56 0.11 -1.23 0.00 0.00 174.94 174.03 2k5i h LYS 15 N 13.86 0.02 -1.57 2.79 1.57 -1.11 -2.85 116.57 129.28 2k5i h LYS 15 Ca -0.34 -0.03 0.25 0.00 -1.87 0.00 0.00 60.65 58.66 2k5i h LYS 15 Cb 1.19 0.01 -0.18 0.00 0.08 0.00 0.00 32.23 33.33 2k5i h LYS 15 CO 1.04 1.02 0.78 -0.98 -0.57 0.00 0.00 179.45 180.74 2k5i s ARG 16 N -2.29 0.38 -0.20 3.15 1.70 -1.06 -4.74 118.95 115.89 2k5i s ARG 16 Ca -0.23 -0.15 -0.05 0.00 -0.47 0.00 0.00 55.73 54.83 2k5i s ARG 16 Cb 0.01 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.53 2k5i s ARG 16 CO 0.66 -0.17 0.01 -0.51 -1.08 0.00 0.00 175.30 174.21 2k5i s LEU 17 N -2.30 3.29 0.20 -1.89 1.02 -1.26 -1.26 118.68 116.48 2k5i s LEU 17 Ca 0.09 -0.19 0.20 0.00 0.02 0.00 0.00 54.13 54.25 2k5i s LEU 17 Cb -0.00 -1.84 0.01 0.00 0.02 0.00 0.00 46.19 44.38 2k5i s LEU 17 CO -0.05 0.06 1.09 1.05 0.02 0.00 0.00 176.35 178.53 2k5i h GLU 18 N 7.52 0.00 -6.62 1.70 4.11 -1.81 -3.38 114.58 116.10 2k5i h GLU 18 Ca -0.36 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.55 2k5i h GLU 18 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k5i h GLU 18 CO 0.61 0.14 0.46 0.54 0.07 0.00 0.00 179.01 180.84 2k5i s VAL 19 N -3.17 4.00 -0.15 -1.06 0.11 -1.26 -4.94 120.40 113.94 2k5i s VAL 19 Ca 0.00 1.68 0.01 0.00 -2.93 0.00 0.00 61.98 60.74 2k5i s VAL 19 Cb 0.08 -4.07 0.02 0.00 -1.53 0.00 0.00 36.38 30.88 2k5i s VAL 19 CO 0.78 0.27 -0.16 -0.44 -3.33 0.00 0.00 175.10 172.21 2k5i s SER 20 N 0.04 2.76 0.00 3.54 0.01 -1.26 -4.53 113.70 114.26 2k5i s SER 20 Ca 0.50 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2k5i s SER 20 Cb -0.28 -1.24 0.00 0.00 0.21 0.00 0.00 66.02 64.71 2k5i s SER 20 CO 0.33 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.57 2k5i n GLY 21 N 4.63 0.76 0.28 3.44 0.00 -1.26 -4.89 105.19 108.15 2k5i n GLY 21 Ca -0.18 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.24 2k5i n GLY 21 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k5i h GLU 22 N 0.00 0.00 -0.07 1.61 4.39 -2.01 -1.10 114.58 117.41 2k5i h GLU 22 Ca 0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 2k5i h GLU 22 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2k5i h GLU 22 CO 0.00 0.06 -0.50 1.25 -1.16 0.00 0.00 179.01 178.65 2k5i h LEU 23 N 0.00 0.19 0.00 1.33 5.85 -1.95 -2.34 115.31 118.40 2k5i h LEU 23 Ca -0.00 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2k5i h LEU 23 Cb 0.14 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2k5i h LEU 23 CO 0.01 0.66 -0.00 -0.74 -0.34 0.00 0.00 178.44 178.03 2k5i h HIS 24 N 0.14 -0.00 -0.00 1.25 2.76 -1.43 0.38 115.15 118.24 2k5i h HIS 24 Ca 0.00 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 2k5i h HIS 24 Cb 0.94 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 2k5i h HIS 24 CO 0.01 0.13 -0.39 1.05 -1.30 0.00 0.00 177.93 177.43 2k5i h GLU 25 N -0.13 0.01 -0.53 5.26 -0.00 -1.58 -1.19 114.58 116.41 2k5i h GLU 25 Ca -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.34 2k5i h GLU 25 Cb 0.13 -0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.85 2k5i h GLU 25 CO 0.00 0.40 0.26 -0.22 -0.00 0.00 0.00 179.01 179.45 2k5i h LYS 26 N 0.00 0.76 0.17 1.06 3.11 -1.12 -1.23 116.57 119.33 2k5i h LYS 26 Ca -0.00 -0.11 -0.01 0.00 -2.81 0.00 0.00 60.65 57.72 2k5i h LYS 26 Cb 0.70 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 2k5i h LYS 26 CO 0.05 0.63 -0.08 -0.07 -2.81 0.00 0.00 179.45 177.17 2k5i h LEU 27 N 0.71 -0.19 -1.46 5.20 3.38 -0.43 -2.82 115.31 119.70 2k5i h LEU 27 Ca 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2k5i h LEU 27 Cb 0.11 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2k5i h LEU 27 CO -0.02 0.20 0.25 -0.37 0.09 0.00 0.00 178.44 178.59 2k5i h VAL 28 N -0.62 1.14 -0.79 1.22 -1.51 -1.28 0.59 116.25 115.00 2k5i h VAL 28 Ca -0.02 -0.35 0.01 0.00 -1.23 0.00 0.00 66.70 65.11 2k5i h VAL 28 Cb 0.46 0.53 -0.04 0.00 -2.13 0.00 0.00 31.29 30.11 2k5i h VAL 28 CO 0.04 0.15 0.52 1.23 -1.23 0.00 0.00 177.57 178.28 2k5i h GLY 29 N 0.69 1.11 1.93 5.19 0.00 -1.21 -1.71 103.07 109.07 2k5i h GLY 29 Ca 0.16 -0.41 -0.17 0.00 0.00 0.00 0.00 47.33 46.91 2k5i h GLY 29 CO -0.03 0.40 -0.80 -0.33 0.00 0.00 0.00 176.54 175.79 2k5i h MET 30 N 1.06 0.06 0.00 4.80 2.07 -0.98 -3.48 114.93 118.47 2k5i h MET 30 Ca 0.29 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.86 2k5i h MET 30 Cb -0.12 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.63 2k5i h MET 30 CO -0.06 0.82 0.00 0.41 1.07 0.00 0.00 176.91 179.15 2k5i n GLY 31 N 0.73 0.39 3.56 8.32 0.00 0.02 -4.99 105.19 113.22 2k5i n GLY 31 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2k5i n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5i s PHE 32 N 0.00 1.77 -0.00 1.61 0.08 -0.15 -4.87 117.98 116.41 2k5i s PHE 32 Ca 0.00 0.74 0.05 0.00 0.12 0.00 0.00 56.93 57.84 2k5i s PHE 32 Cb 0.00 -3.97 -0.01 0.00 -0.57 0.00 0.00 43.02 38.47 2k5i s PHE 32 CO 0.00 -1.58 -0.16 0.14 -0.10 0.00 0.00 175.22 173.51 2k5i s VAL 33 N 10.84 1.30 -0.37 -0.44 -7.23 -1.26 -3.61 120.40 119.62 2k5i s VAL 33 Ca 0.72 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.84 2k5i s VAL 33 Cb -0.06 -1.09 -0.08 0.00 0.56 0.00 0.00 36.38 35.71 2k5i s VAL 33 CO 0.03 0.32 2.30 -2.65 -0.31 0.00 0.00 175.10 174.80 2k5i n PRO 34 N 2.55 1.39 0.00 4.82 -0.02 -1.26 -2.54 135.00 139.94 2k5i n PRO 34 Ca -0.15 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2k5i n PRO 34 Cb 0.54 -3.05 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 2k5i n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k5i n GLY 35 N 6.05 0.97 3.86 -1.23 0.00 -1.08 -5.05 105.19 108.72 2k5i n GLY 35 Ca 0.36 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 2k5i n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5i s GLU 36 N 0.00 3.89 0.01 1.61 0.41 -1.05 -4.88 118.70 118.69 2k5i s GLU 36 Ca 0.00 0.64 -0.10 0.00 -0.41 0.00 0.00 54.97 55.10 2k5i s GLU 36 Cb 0.00 -2.34 -0.05 0.00 -1.78 0.00 0.00 34.13 29.95 2k5i s GLU 36 CO 0.00 -0.03 0.34 -1.21 -0.49 0.00 0.00 175.26 173.87 2k5i s GLU 37 N -3.64 3.73 -0.05 1.61 8.01 -1.26 -0.69 118.70 126.42 2k5i s GLU 37 Ca 0.54 0.16 -0.02 0.00 0.01 0.00 0.00 54.97 55.66 2k5i s GLU 37 Cb -0.10 -3.11 0.03 0.00 -4.31 0.00 0.00 34.13 26.64 2k5i s GLU 37 CO 0.27 0.65 0.11 -1.50 0.01 0.00 0.00 175.26 174.79 2k5i s ILE 38 N -1.23 -0.04 0.06 -1.63 2.07 0.26 -1.81 121.20 118.88 2k5i s ILE 38 Ca 0.27 0.14 0.09 0.00 -1.41 0.00 0.00 60.65 59.74 2k5i s ILE 38 Cb -0.14 -0.18 -0.03 0.00 0.13 0.00 0.00 42.46 42.24 2k5i s ILE 38 CO 0.14 0.06 -0.26 -1.83 -1.91 0.00 0.00 174.94 171.14 2k5i s GLU 39 N 0.84 1.76 -0.30 3.50 -1.05 -0.87 0.14 118.70 122.72 2k5i s GLU 39 Ca -0.07 -1.14 -0.27 0.00 -0.15 0.00 0.00 54.97 53.35 2k5i s GLU 39 Cb -0.09 -1.98 0.01 0.00 -0.44 0.00 0.00 34.13 31.63 2k5i s GLU 39 CO -0.04 0.51 0.97 0.42 0.95 0.00 0.00 175.26 178.06 2k5i s ILE 40 N -0.85 4.64 -0.06 1.83 -1.09 -1.24 -0.21 121.20 124.22 2k5i s ILE 40 Ca 0.12 1.58 -0.17 0.00 -2.23 0.00 0.00 60.65 59.95 2k5i s ILE 40 Cb -0.10 -4.30 -0.12 0.00 -1.58 0.00 0.00 42.46 36.36 2k5i s ILE 40 CO 0.03 -0.35 0.68 0.58 -1.23 0.00 0.00 174.94 174.65 2k5i h VAL 41 N 5.64 0.53 -2.99 2.92 2.07 -0.74 0.17 116.25 123.85 2k5i h VAL 41 Ca -0.22 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 2k5i h VAL 41 Cb 1.07 0.91 -0.11 0.00 -1.52 0.00 0.00 31.29 31.64 2k5i h VAL 41 CO 0.97 0.14 0.21 0.00 0.02 0.00 0.00 177.57 178.92 2k5i s GLN 42 N -3.10 1.32 -0.02 1.57 -2.07 -1.13 -4.40 119.66 111.83 2k5i s GLN 42 Ca -0.10 -0.52 0.08 0.00 -1.82 0.00 0.00 55.36 53.00 2k5i s GLN 42 Cb 0.00 0.59 -0.02 0.00 -1.09 0.00 0.00 33.01 32.49 2k5i s GLN 42 CO 0.35 -0.58 -0.25 0.08 -1.32 0.00 0.00 175.29 173.57 2k5i s VAL 43 N -3.76 2.16 0.38 3.63 1.01 -1.26 -1.10 120.40 121.45 2k5i s VAL 43 Ca 0.02 -1.07 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 2k5i s VAL 43 Cb -0.01 -1.75 -0.11 0.00 0.00 0.00 0.00 36.38 34.50 2k5i s VAL 43 CO -0.11 0.58 1.49 0.00 0.00 0.00 0.00 175.10 177.06 2k5i s ALA 44 N -0.61 3.57 0.11 5.51 0.00 -0.62 -4.87 121.76 124.85 2k5i s ALA 44 Ca 0.10 1.58 0.25 0.00 0.00 0.00 0.00 51.96 53.90 2k5i s ALA 44 Cb -0.10 -3.61 1.39 0.00 0.00 0.00 0.00 23.12 20.79 2k5i s ALA 44 CO -0.01 -1.07 1.76 -1.00 0.00 0.00 0.00 175.76 175.44 2k5i h PRO 45 N 2.98 0.00 -0.24 0.00 0.13 -1.91 0.18 132.00 133.15 2k5i h PRO 45 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2k5i h PRO 45 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k5i h PRO 45 CO 0.64 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.69 2k5i n LEU 46 N -2.45 2.09 0.00 1.56 4.32 -1.26 -4.94 117.00 116.32 2k5i n LEU 46 Ca -0.02 -0.90 0.00 0.00 -0.02 0.00 0.00 56.01 55.07 2k5i n LEU 46 Cb 0.14 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2k5i n LEU 46 CO 0.11 0.45 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 2k5i n GLY 47 N 1.21 2.65 3.07 -0.72 0.00 0.63 -4.98 105.19 107.05 2k5i n GLY 47 Ca 0.16 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 2k5i n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5i s ASP 48 N 0.01 1.30 0.34 1.61 2.15 -1.26 -4.63 116.67 116.19 2k5i s ASP 48 Ca 0.00 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 52.70 2k5i s ASP 48 Cb 0.00 -0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.50 2k5i s ASP 48 CO 0.00 0.08 0.00 -0.81 -0.17 0.00 0.00 175.17 174.27 2k5i n PRO 49 N 2.51 0.80 -4.80 4.34 -0.04 -1.26 -4.75 135.00 131.81 2k5i n PRO 49 Ca -0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.03 2k5i n PRO 49 Cb 0.56 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.87 2k5i n PRO 49 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2k5i s ILE 50 N 0.34 1.94 -0.07 0.52 -0.00 -0.64 -1.59 121.20 121.70 2k5i s ILE 50 Ca 0.00 -1.30 0.03 0.00 -0.00 0.00 0.00 60.65 59.37 2k5i s ILE 50 Cb 0.00 -1.67 -0.02 0.00 -0.00 0.00 0.00 42.46 40.77 2k5i s ILE 50 CO 0.00 0.30 -0.14 -0.69 -0.00 0.00 0.00 174.94 174.41 2k5i s VAL 51 N -0.80 3.02 0.29 8.37 1.01 -0.26 -1.01 120.40 131.03 2k5i s VAL 51 Ca 0.10 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2k5i s VAL 51 Cb -0.09 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2k5i s VAL 51 CO 0.02 0.57 0.17 0.00 0.00 0.00 0.00 175.10 175.86 2k5i s LYS 53 N -3.84 1.61 -0.43 0.00 1.02 0.71 -0.01 119.74 118.80 2k5i s LYS 53 Ca 0.37 -0.40 -0.18 0.00 0.02 0.00 0.00 55.97 55.78 2k5i s LYS 53 Cb 0.05 -1.82 0.02 0.00 -0.52 0.00 0.00 37.83 35.56 2k5i s LYS 53 CO 0.18 -0.32 0.47 0.42 -0.92 0.00 0.00 175.35 175.18 2k5i s ILE 54 N 1.64 5.04 0.00 2.17 1.01 0.19 -2.04 121.20 129.21 2k5i s ILE 54 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2k5i s ILE 54 Cb -0.14 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2k5i s ILE 54 CO -0.08 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.01 2k5i n GLY 55 N 5.10 0.75 0.13 6.18 0.00 -0.75 -2.45 105.19 114.16 2k5i n GLY 55 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2k5i n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k5i n ASN 56 N 1.86 2.69 -4.91 1.61 4.13 -1.26 -5.07 115.26 114.32 2k5i n ASN 56 Ca 0.00 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.98 2k5i n ASN 56 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 2k5i n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k5i s ARG 57 N -1.78 3.62 -0.11 3.52 1.70 -1.02 -5.01 118.95 119.87 2k5i s ARG 57 Ca 0.00 0.04 -0.18 0.00 -0.47 0.00 0.00 55.73 55.12 2k5i s ARG 57 Cb 0.00 -2.59 -0.04 0.00 -0.57 0.00 0.00 34.95 31.75 2k5i s ARG 57 CO 0.00 0.13 0.48 -0.80 -1.08 0.00 0.00 175.30 174.03 2k5i s ASN 58 N -3.37 6.71 -0.10 -2.89 -0.87 -1.26 -0.64 114.94 112.52 2k5i s ASN 58 Ca 0.45 0.84 0.03 0.00 -1.57 0.00 0.00 52.86 52.61 2k5i s ASN 58 Cb -0.10 -2.29 0.01 0.00 -0.02 0.00 0.00 41.25 38.84 2k5i s ASN 58 CO 0.32 0.02 -0.20 -0.63 -2.57 0.00 0.00 177.10 174.05 2k5i s ILE 59 N 0.48 1.78 -0.17 0.60 -1.09 0.98 -4.95 121.20 118.84 2k5i s ILE 59 Ca 0.26 -0.85 -0.10 0.00 -2.23 0.00 0.00 60.65 57.73 2k5i s ILE 59 Cb -0.15 -1.57 -0.05 0.00 -1.58 0.00 0.00 42.46 39.11 2k5i s ILE 59 CO 0.11 0.50 0.17 -0.89 -1.23 0.00 0.00 174.94 173.60 2k5i s THR 60 N 0.51 5.40 0.07 2.92 2.01 -1.26 -1.00 115.64 124.29 2k5i s THR 60 Ca -0.16 0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.18 2k5i s THR 60 Cb -0.17 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2k5i s THR 60 CO 0.06 0.48 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.53 2k5i s LEU 61 N -0.01 2.23 0.36 4.42 1.43 -0.18 -5.02 118.68 121.91 2k5i s LEU 61 Ca 0.12 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 2k5i s LEU 61 Cb -0.12 -0.76 -0.09 0.00 0.03 0.00 0.00 46.19 45.26 2k5i s LEU 61 CO 0.01 0.05 0.79 -0.13 0.23 0.00 0.00 176.35 177.30 2k5i s ARG 62 N -1.51 4.01 0.21 1.70 1.81 -1.26 -1.62 118.95 122.30 2k5i s ARG 62 Ca 0.04 0.74 -0.09 0.00 -1.72 0.00 0.00 55.73 54.70 2k5i s ARG 62 Cb -0.09 -2.36 0.30 0.00 -0.45 0.00 0.00 34.95 32.34 2k5i s ARG 62 CO 0.02 0.08 1.75 0.87 -0.68 0.00 0.00 175.30 177.34 2k5i h LYS 63 N 2.00 0.43 -0.88 3.54 1.57 -1.95 0.80 116.57 122.08 2k5i h LYS 63 Ca -0.48 -0.03 0.21 0.00 -1.87 0.00 0.00 60.65 58.49 2k5i h LYS 63 Cb 1.18 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 2k5i h LYS 63 CO 0.64 0.29 0.60 0.07 -0.57 0.00 0.00 179.45 180.47 2k5i h ARG 64 N 0.45 0.29 0.03 3.15 0.11 -2.00 0.09 114.38 116.50 2k5i h ARG 64 Ca 0.32 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 60.32 2k5i h ARG 64 Cb 0.39 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.40 2k5i h ARG 64 CO -0.30 0.19 -0.32 0.93 0.10 0.00 0.00 179.97 180.57 2k5i h GLU 65 N 0.30 0.06 -0.09 0.08 4.39 -1.40 -3.37 114.58 114.55 2k5i h GLU 65 Ca 0.45 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 2k5i h GLU 65 Cb 1.28 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 2k5i h GLU 65 CO -0.13 1.05 -0.11 0.00 -1.16 0.00 0.00 179.01 178.66 2k5i h ALA 66 N -0.04 1.66 0.00 3.43 0.00 -0.27 -2.06 119.26 121.98 2k5i h ALA 66 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k5i h ALA 66 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2k5i h ALA 66 CO 0.01 0.25 0.00 -0.25 0.00 0.00 0.00 179.25 179.26 2k5i n ASP 67 N -4.34 0.00 -0.94 0.00 8.00 -0.04 -2.01 116.55 117.21 2k5i n ASP 67 Ca -0.01 0.43 0.09 0.00 0.71 0.00 0.00 54.79 56.01 2k5i n ASP 67 Cb 0.22 -0.45 0.18 0.00 -0.02 0.00 0.00 41.12 41.05 2k5i n ASP 67 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k5i n LEU 68 N -1.45 3.14 -4.40 0.64 4.77 -0.78 -4.89 117.00 114.04 2k5i n LEU 68 Ca 0.02 -1.57 -0.35 0.00 -0.03 0.00 0.00 56.01 54.07 2k5i n LEU 68 Cb 0.06 -0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 2k5i n LEU 68 CO 0.05 0.70 -0.33 -0.63 -1.33 0.00 0.00 177.39 175.85 2k5i s ILE 69 N -1.24 3.87 -0.42 -0.08 1.09 -0.85 -2.61 121.20 120.96 2k5i s ILE 69 Ca 0.32 -0.33 -0.20 0.00 -1.10 0.00 0.00 60.65 59.34 2k5i s ILE 69 Cb 0.18 -2.77 0.02 0.00 -1.06 0.00 0.00 42.46 38.83 2k5i s ILE 69 CO 0.25 0.40 0.63 -0.70 -0.10 0.00 0.00 174.94 175.42 2k5i s GLU 70 N 1.35 3.36 0.31 2.79 2.56 -0.39 -3.84 118.70 124.83 2k5i s GLU 70 Ca 0.04 -0.31 0.07 0.00 0.00 0.00 0.00 54.97 54.78 2k5i s GLU 70 Cb -0.15 -3.92 -0.06 0.00 2.00 0.00 0.00 34.13 32.00 2k5i s GLU 70 CO 0.01 -0.94 -0.05 0.14 -0.56 0.00 0.00 175.26 173.86 2k5i s VAL 71 N 2.75 1.76 0.08 3.70 -7.23 0.32 -0.48 120.40 121.29 2k5i s VAL 71 Ca 0.22 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 2k5i s VAL 71 Cb -0.14 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 2k5i s VAL 71 CO 0.18 -0.23 -0.08 -1.83 -0.31 0.00 0.00 175.10 172.83 2k5i s GLU 72 N -3.72 0.73 0.03 4.82 -1.05 -0.86 0.16 118.70 118.81 2k5i s GLU 72 Ca 0.31 -1.09 -0.30 0.00 -0.15 0.00 0.00 54.97 53.73 2k5i s GLU 72 Cb 0.04 -0.32 -0.05 0.00 -0.44 0.00 0.00 34.13 33.36 2k5i s GLU 72 CO 0.14 0.03 1.22 0.08 0.95 0.00 0.00 175.26 177.67 2k5i s VAL 73 N -2.55 4.07 -0.65 1.83 1.01 -1.26 -0.63 120.40 122.22 2k5i s VAL 73 Ca 0.03 1.46 0.23 0.00 0.00 0.00 0.00 61.98 63.70 2k5i s VAL 73 Cb -0.02 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 2k5i s VAL 73 CO -0.02 0.08 1.10 0.52 0.00 0.00 0.00 175.10 176.77 2k5i n VAL 74 N 4.16 0.19 -0.02 2.92 0.31 0.02 -4.90 118.33 121.01 2k5i n VAL 74 Ca 0.10 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2k5i n VAL 74 Cb 0.46 0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 2k5i n VAL 74 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k5i n GLY 75 N 1.37 -1.80 0.12 2.92 0.00 -1.25 -5.02 105.19 101.52 2k5i n GLY 75 Ca 0.02 -1.46 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 2k5i n GLY 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k5i h GLY 76 N -0.01 0.16 -1.22 -0.02 0.00 -1.98 -3.49 103.07 96.51 2k5i h GLY 76 Ca 0.00 -0.42 -0.56 0.00 0.00 0.00 0.00 47.33 46.35 2k5i h GLY 76 CO 0.00 0.37 -0.52 -1.83 0.00 0.00 0.00 176.54 174.56 2k5i s GLU 77 N -2.44 1.94 0.06 4.80 1.03 -1.26 -4.99 118.70 117.83 2k5i s GLU 77 Ca -0.24 -2.18 0.03 0.00 0.03 0.00 0.00 54.97 52.61 2k5i s GLU 77 Cb 0.05 -0.65 -0.03 0.00 -0.80 0.00 0.00 34.13 32.70 2k5i s GLU 77 CO 0.70 -0.47 -0.10 -0.48 -1.33 0.00 0.00 175.26 173.58 2k5i s LEU 78 N -3.62 2.28 0.48 1.83 0.05 -0.71 -4.98 118.68 114.02 2k5i s LEU 78 Ca 0.23 -0.61 -0.22 0.00 0.05 0.00 0.00 54.13 53.59 2k5i s LEU 78 Cb 0.03 -0.28 -0.07 0.00 -2.05 0.00 0.00 46.19 43.81 2k5i s LEU 78 CO 0.14 -0.18 1.17 -2.16 -0.55 0.00 0.00 176.35 174.77 2k5i s PRO 79 N -1.79 3.65 0.40 1.48 0.04 -1.26 -0.19 135.00 137.32 2k5i s PRO 79 Ca -0.06 1.76 0.12 0.00 0.04 0.00 0.00 61.00 62.87 2k5i s PRO 79 Cb -0.09 -2.32 0.93 0.00 0.04 0.00 0.00 34.50 33.06 2k5i s PRO 79 CO 0.01 -0.64 1.92 1.25 0.04 0.00 0.00 177.00 179.57 2k5i h LEU 80 N 1.85 0.51 -2.27 -3.56 7.12 -0.41 0.79 115.31 119.34 2k5i h LEU 80 Ca -0.50 0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.54 2k5i h LEU 80 Cb 1.25 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2k5i h LEU 80 CO 0.59 0.28 0.01 -0.29 -0.13 0.00 0.00 178.44 178.90 2k5i h ILE 81 N 0.55 0.71 -0.28 4.05 6.09 -1.73 -1.71 117.51 125.19 2k5i h ILE 81 Ca 0.38 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.87 2k5i h ILE 81 Cb 0.69 0.99 0.00 0.00 0.47 0.00 0.00 36.82 38.97 2k5i h ILE 81 CO -0.14 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.12 2k5i n LEU 82 N -4.13 3.19 -4.65 2.19 4.77 0.25 -4.97 117.00 113.66 2k5i n LEU 82 Ca -0.03 -1.38 -0.42 0.00 -0.03 0.00 0.00 56.01 54.15 2k5i n LEU 82 Cb 0.10 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2k5i n LEU 82 CO 0.30 0.66 1.45 0.00 -1.33 0.00 0.00 177.39 178.47 2k5i s ALA 83 N -1.50 3.44 0.79 -1.18 0.00 -0.65 -4.97 121.76 117.70 2k5i s ALA 83 Ca 0.33 0.87 -0.13 0.00 0.00 0.00 0.00 51.96 53.03 2k5i s ALA 83 Cb 0.20 -3.82 0.07 0.00 0.00 0.00 0.00 23.12 19.57 2k5i s ALA 83 CO 0.28 -1.70 1.18 0.34 0.00 0.00 0.00 175.76 175.87 2k5i s ASP 84 N 4.21 3.81 -0.49 0.00 2.15 -1.26 -4.83 116.67 120.26 2k5i s ASP 84 Ca 0.78 2.28 -0.26 0.00 0.43 0.00 0.00 52.55 55.78 2k5i s ASP 84 Cb -0.33 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 39.64 2k5i s ASP 84 CO 0.32 -2.52 2.41 0.47 -0.17 0.00 0.00 175.17 175.69 2k5i n ASP 85 N -3.23 2.31 0.00 -0.34 8.00 -1.26 -4.80 116.55 117.23 2k5i n ASP 85 Ca 0.13 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.19 2k5i n ASP 85 Cb 0.51 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 2k5i n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k5i n GLY 86 N 6.02 -1.24 3.68 0.44 0.00 0.16 -4.95 105.19 109.30 2k5i n GLY 86 Ca 0.38 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 2k5i n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5i s THR 87 N -2.43 5.02 0.22 2.61 2.01 -1.26 -0.85 115.64 120.96 2k5i s THR 87 Ca 0.00 1.32 0.10 0.00 0.31 0.00 0.00 61.69 63.42 2k5i s THR 87 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 2k5i s THR 87 CO 0.00 0.15 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.59 2k5i s TYR 88 N 1.55 1.99 -0.20 4.92 1.51 0.01 -0.59 117.35 126.54 2k5i s TYR 88 Ca 0.33 -0.45 -0.06 0.00 -1.01 0.00 0.00 57.07 55.87 2k5i s TYR 88 Cb -0.16 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.74 2k5i s TYR 88 CO 0.13 0.49 0.04 -2.00 -1.11 0.00 0.00 175.55 173.10 2k5i s GLU 89 N -3.34 3.79 -0.49 -0.62 2.56 -0.10 -0.70 118.70 119.80 2k5i s GLU 89 Ca 0.24 -0.43 -0.27 0.00 0.00 0.00 0.00 54.97 54.50 2k5i s GLU 89 Cb -0.04 -3.17 0.03 0.00 2.00 0.00 0.00 34.13 32.95 2k5i s GLU 89 CO 0.10 0.12 1.06 -1.50 -0.56 0.00 0.00 175.26 174.47 2k5i s ILE 90 N 0.77 4.29 -0.05 -3.70 2.07 -1.03 -0.54 121.20 123.01 2k5i s ILE 90 Ca 0.02 0.96 0.04 0.00 -1.41 0.00 0.00 60.65 60.26 2k5i s ILE 90 Cb -0.14 -4.55 -0.25 0.00 0.13 0.00 0.00 42.46 37.65 2k5i s ILE 90 CO 0.02 -0.99 0.62 0.00 -1.91 0.00 0.00 174.94 172.68 2k5i h THR 91 N 6.16 0.85 -2.81 4.00 1.03 -1.40 -1.59 112.91 119.15 2k5i h THR 91 Ca -0.24 -2.63 -0.01 0.00 -0.01 0.00 0.00 66.41 63.53 2k5i h THR 91 Cb 1.07 2.51 -0.13 0.00 -1.07 0.00 0.00 68.15 70.53 2k5i h THR 91 CO 1.10 0.68 0.25 -1.59 -0.01 0.00 0.00 175.52 175.95 2k5i s LYS 92 N -2.59 1.20 0.09 0.00 -2.85 -1.19 -4.86 119.74 109.54 2k5i s LYS 92 Ca -0.11 -0.38 0.10 0.00 -1.00 0.00 0.00 55.97 54.58 2k5i s LYS 92 Cb 0.07 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.36 2k5i s LYS 92 CO 0.81 -0.51 -0.24 -0.51 0.10 0.00 0.00 175.35 175.00 2k5i s LEU 93 N -2.57 2.39 -0.29 2.77 2.01 -1.26 -1.96 118.68 119.77 2k5i s LEU 93 Ca 0.00 -0.64 0.02 0.00 0.01 0.00 0.00 54.13 53.52 2k5i s LEU 93 Cb -0.01 -1.33 0.08 0.00 0.01 0.00 0.00 46.19 44.94 2k5i s LEU 93 CO -0.10 0.21 0.02 0.20 1.01 0.00 0.00 176.35 177.68 2k5i s ASN 94 N -1.79 4.23 0.00 2.29 0.01 -0.19 -5.02 114.94 114.47 2k5i s ASN 94 Ca 0.14 -1.62 0.00 0.00 -0.71 0.00 0.00 52.86 50.67 2k5i s ASN 94 Cb -0.10 -1.27 0.00 0.00 0.41 0.00 0.00 41.25 40.29 2k5i s ASN 94 CO 0.06 -0.33 0.00 0.61 -1.51 0.00 0.00 177.10 175.93 2k5i n GLY 95 N 4.57 -0.85 0.00 0.66 0.00 -1.26 -4.77 105.19 103.53 2k5i n GLY 95 Ca -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2k5i n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5i n GLY 96 N 0.00 4.92 0.15 -0.02 0.00 -1.26 -4.90 105.19 104.08 2k5i n GLY 96 Ca 0.00 -2.03 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 2k5i n GLY 96 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k5i h ARG 97 N 0.00 -0.28 -0.53 1.61 2.47 -2.03 -1.08 114.38 114.54 2k5i h ARG 97 Ca 0.00 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2k5i h ARG 97 Cb 0.00 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 2k5i h ARG 97 CO 0.00 -0.18 0.16 0.00 0.56 0.00 0.00 179.97 180.50 2k5i h ARG 98 N -0.29 0.79 0.55 0.04 3.08 -1.99 -1.34 114.38 115.22 2k5i h ARG 98 Ca -0.03 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 2k5i h ARG 98 Cb 0.22 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.15 2k5i h ARG 98 CO 0.05 0.69 -0.27 0.35 -1.07 0.00 0.00 179.97 179.72 2k5i h PHE 99 N 0.77 -0.69 -0.54 3.04 3.57 -1.87 -2.36 116.94 118.86 2k5i h PHE 99 Ca 0.18 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.67 2k5i h PHE 99 Cb 0.24 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 2k5i h PHE 99 CO 0.01 -0.39 0.35 -0.07 -2.23 0.00 0.00 178.31 175.98 2k5i h LEU 100 N -0.85 0.59 0.00 0.59 3.38 -1.11 -1.94 115.31 115.98 2k5i h LEU 100 Ca -0.08 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2k5i h LEU 100 Cb 0.61 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2k5i h LEU 100 CO 0.12 0.42 -0.17 0.15 0.09 0.00 0.00 178.44 179.05 2k5i h PHE 101 N 0.70 -0.46 -0.28 1.13 3.57 -1.24 -2.20 116.94 118.16 2k5i h PHE 101 Ca 0.20 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 2k5i h PHE 101 Cb -0.05 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2k5i h PHE 101 CO -0.04 -0.25 0.07 0.00 -2.23 0.00 0.00 178.31 175.85 2k5i h ARG 102 N -0.29 0.45 -0.75 1.11 3.08 -1.30 -2.98 114.38 113.70 2k5i h ARG 102 Ca 0.05 -0.11 0.08 0.00 0.07 0.00 0.00 59.98 60.08 2k5i h ARG 102 Cb 0.36 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 2k5i h ARG 102 CO -0.17 0.53 0.49 0.52 -1.07 0.00 0.00 179.97 180.28 2k5i h MET 103 N 0.29 0.70 -0.14 0.04 2.86 -1.21 0.88 114.93 118.35 2k5i h MET 103 Ca 0.09 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2k5i h MET 103 Cb 0.28 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2k5i h MET 103 CO 0.00 0.46 -0.29 0.87 1.06 0.00 0.00 176.91 179.01 2k5i h LYS 104 N 0.72 0.25 0.00 1.72 1.57 -1.28 -0.15 116.57 119.41 2k5i h LYS 104 Ca 0.34 -0.09 -0.19 0.00 -1.87 0.00 0.00 60.65 58.84 2k5i h LYS 104 Cb 0.37 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 2k5i h LYS 104 CO -0.12 0.53 -0.89 -0.91 -0.57 0.00 0.00 179.45 177.49 2k5i h ASN 105 N 0.23 0.00 0.61 0.86 2.35 -0.79 -3.24 115.58 115.60 2k5i h ASN 105 Ca 0.03 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.59 2k5i h ASN 105 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2k5i h ASN 105 CO 0.05 0.89 -0.89 -0.07 -1.65 0.00 0.00 177.43 175.76 2k5i h LEU 106 N 0.00 0.24 0.00 1.61 -0.00 -0.73 -3.49 115.31 112.94 2k5i h LEU 106 Ca -0.01 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2k5i h LEU 106 Cb 1.66 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.24 2k5i h LEU 106 CO 0.12 1.01 0.00 0.61 -0.00 0.00 0.00 178.44 180.17 2k5i n GLY 107 N 0.90 4.18 3.28 0.83 0.00 -0.11 -4.91 105.19 109.36 2k5i n GLY 107 Ca -0.03 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 2k5i n GLY 107 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k5i n ILE 108 N 0.00 1.79 -1.20 -0.61 -0.00 -0.97 -4.64 119.36 113.73 2k5i n ILE 108 Ca 0.00 -1.68 -0.08 0.00 -0.00 0.00 0.00 62.75 60.99 2k5i n ILE 108 Cb 0.00 -2.26 0.24 0.00 -0.00 0.00 0.00 39.64 37.62 2k5i n ILE 108 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2k5i n GLU 109 N 7.49 2.71 -1.02 6.28 0.28 -1.25 -4.36 120.64 130.78 2k5i n GLU 109 Ca 0.48 -3.07 0.00 0.00 -0.16 0.00 0.00 57.16 54.41 2k5i n GLU 109 Cb 0.43 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 31.26 2k5i n GLU 109 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k5i n SER 110 N -0.73 -4.95 -0.81 -1.84 2.88 -1.26 -4.96 113.62 101.95 2k5i n SER 110 Ca 0.41 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 2k5i n SER 110 Cb 1.29 -2.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 2k5i n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5i n GLY 111 N 0.49 0.47 3.16 0.46 0.00 -0.60 -5.04 105.19 104.13 2k5i n GLY 111 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 2k5i n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5i s LYS 112 N -2.99 0.31 -0.36 1.61 -0.14 -1.26 -4.99 119.74 111.92 2k5i s LYS 112 Ca 0.00 0.50 -0.28 0.00 -1.36 0.00 0.00 55.97 54.83 2k5i s LYS 112 Cb 0.00 0.06 0.02 0.00 -1.68 0.00 0.00 37.83 36.23 2k5i s LYS 112 CO 0.00 -0.09 1.03 0.15 -0.76 0.00 0.00 175.35 175.68 2k5i s LYS 113 N 0.65 3.94 -0.21 1.68 3.01 -1.26 -2.46 119.74 125.10 2k5i s LYS 113 Ca -0.04 0.82 -0.09 0.00 -1.01 0.00 0.00 55.97 55.65 2k5i s LYS 113 Cb -0.05 -3.78 -0.05 0.00 -1.01 0.00 0.00 37.83 32.94 2k5i s LYS 113 CO -0.04 -0.98 0.11 -1.50 0.51 0.00 0.00 175.35 173.45 2k5i s ILE 114 N 3.70 5.08 -0.43 2.17 1.10 0.12 -4.31 121.20 128.63 2k5i s ILE 114 Ca 0.43 0.08 -0.18 0.00 -0.51 0.00 0.00 60.65 60.47 2k5i s ILE 114 Cb -0.11 -3.33 0.03 0.00 0.15 0.00 0.00 42.46 39.19 2k5i s ILE 114 CO 0.19 0.41 0.50 -1.10 -2.11 0.00 0.00 174.94 172.83 2k5i s GLN 115 N 0.65 3.13 -0.52 3.50 1.11 0.46 -0.81 119.66 127.19 2k5i s GLN 115 Ca 0.06 -0.70 -0.21 0.00 0.01 0.00 0.00 55.36 54.53 2k5i s GLN 115 Cb -0.13 -3.98 0.05 0.00 -1.01 0.00 0.00 33.01 27.95 2k5i s GLN 115 CO 0.01 -0.92 0.72 0.08 0.01 0.00 0.00 175.29 175.19 2k5i s VAL 116 N 2.32 4.73 -0.21 1.09 1.01 -0.03 -0.66 120.40 128.65 2k5i s VAL 116 Ca 0.14 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2k5i s VAL 116 Cb -0.17 -4.37 0.05 0.00 0.00 0.00 0.00 36.38 31.89 2k5i s VAL 116 CO 0.15 -0.90 -0.11 -0.55 0.00 0.00 0.00 175.10 173.68 2k5i s SER 117 N 2.75 3.62 -1.30 3.32 0.15 0.08 -0.66 113.70 121.66 2k5i s SER 117 Ca 0.20 -1.00 -0.03 0.00 0.70 0.00 0.00 55.95 55.82 2k5i s SER 117 Cb -0.17 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.83 2k5i s SER 117 CO 0.14 -0.15 0.40 0.61 1.20 0.00 0.00 173.24 175.43 2k5i n GLY 118 N 4.63 -0.30 2.77 9.45 0.00 -1.26 -1.27 105.19 119.22 2k5i n GLY 118 Ca -0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 2k5i n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5i n ARG 119 N -3.25 -1.58 -3.65 1.61 5.12 -1.26 -4.98 116.66 108.66 2k5i n ARG 119 Ca -0.11 0.54 -0.36 0.00 -1.93 0.00 0.00 57.85 55.99 2k5i n ARG 119 Cb 0.61 -4.79 -0.08 0.00 -1.16 0.00 0.00 32.46 27.04 2k5i n ARG 119 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2k5i s ARG 120 N -2.00 4.19 -0.26 5.56 0.52 -0.39 -5.08 118.95 121.49 2k5i s ARG 120 Ca 0.00 -0.12 -0.14 0.00 -0.52 0.00 0.00 55.73 54.95 2k5i s ARG 120 Cb 0.00 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 2k5i s ARG 120 CO 0.00 0.23 0.32 0.71 0.02 0.00 0.00 175.30 176.58 2k5i s TYR 121 N 0.55 3.26 -0.08 -0.53 2.02 -1.26 -0.74 117.35 120.57 2k5i s TYR 121 Ca 0.11 0.36 0.02 0.00 -0.37 0.00 0.00 57.07 57.19 2k5i s TYR 121 Cb -0.12 -2.50 0.01 0.00 -0.40 0.00 0.00 41.96 38.95 2k5i s TYR 121 CO 0.01 -0.17 -0.12 0.71 -1.57 0.00 0.00 175.55 174.41 2k5i s TYR 122 N 1.84 1.59 -0.51 2.71 2.02 0.17 -0.77 117.35 124.39 2k5i s TYR 122 Ca 0.13 -0.66 -0.21 0.00 -0.37 0.00 0.00 57.07 55.96 2k5i s TYR 122 Cb -0.16 -1.18 0.05 0.00 -0.40 0.00 0.00 41.96 40.27 2k5i s TYR 122 CO 0.09 -0.35 0.75 0.42 -1.57 0.00 0.00 175.55 174.89 2k5i s ILE 123 N 0.88 4.68 -1.45 2.71 -1.09 0.63 -0.40 121.20 127.15 2k5i s ILE 123 Ca -0.10 -0.07 -0.05 0.00 -2.23 0.00 0.00 60.65 58.20 2k5i s ILE 123 Cb -0.15 -4.38 0.02 0.00 -1.58 0.00 0.00 42.46 36.37 2k5i s ILE 123 CO 0.01 -0.89 0.43 -0.62 -1.23 0.00 0.00 174.94 172.64 2k5i n GLU 124 N 6.69 -3.79 0.00 2.79 1.02 -1.26 -1.25 120.64 124.84 2k5i n GLU 124 Ca -0.02 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 2k5i n GLU 124 Cb 0.47 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 26.35 2k5i n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k5i n GLY 125 N -1.28 2.13 3.72 0.62 0.00 -1.26 -5.06 105.19 104.06 2k5i n GLY 125 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 2k5i n GLY 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5i s ARG 126 N -0.88 4.39 0.13 1.61 0.52 -0.38 -4.94 118.95 119.40 2k5i s ARG 126 Ca 0.00 0.67 -0.31 0.00 -0.52 0.00 0.00 55.73 55.57 2k5i s ARG 126 Cb 0.00 -3.44 -0.09 0.00 0.52 0.00 0.00 34.95 31.94 2k5i s ARG 126 CO 0.00 0.11 1.48 -1.83 0.02 0.00 0.00 175.30 175.08 2k5i s GLU 127 N 0.70 4.27 -0.13 3.54 -1.05 -1.26 -0.27 118.70 124.49 2k5i s GLU 127 Ca 0.32 2.20 -0.02 0.00 -0.15 0.00 0.00 54.97 57.32 2k5i s GLU 127 Cb -0.16 -3.25 -0.02 0.00 -0.44 0.00 0.00 34.13 30.25 2k5i s GLU 127 CO 0.14 -0.53 -0.08 0.42 0.95 0.00 0.00 175.26 176.16 2k5i s ILE 128 N 1.30 3.56 -0.86 1.83 -1.09 0.05 -4.90 121.20 121.08 2k5i s ILE 128 Ca 0.67 -0.49 -0.24 0.00 -2.23 0.00 0.00 60.65 58.37 2k5i s ILE 128 Cb -0.39 -2.52 0.06 0.00 -1.58 0.00 0.00 42.46 38.02 2k5i s ILE 128 CO 0.31 0.52 1.28 -1.81 -1.23 0.00 0.00 174.94 174.01 2k5i s ASP 129 N 0.21 6.35 -0.19 3.58 1.01 -1.26 -4.62 116.67 121.75 2k5i s ASP 129 Ca -0.05 -1.12 -0.01 0.00 0.71 0.00 0.00 52.55 52.09 2k5i s ASP 129 Cb -0.14 -2.52 0.05 0.00 1.01 0.00 0.00 42.92 41.31 2k5i s ASP 129 CO 0.04 -1.56 -0.04 -0.76 0.21 0.00 0.00 175.17 173.06 2k5i s LEU 130 N 4.83 1.80 0.00 1.23 1.43 -1.26 -5.03 118.68 121.67 2k5i s LEU 130 Ca 0.37 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2k5i s LEU 130 Cb -0.06 -0.93 0.05 0.00 0.03 0.00 0.00 46.19 45.28 2k5i s LEU 130 CO 0.01 -0.22 0.32 0.61 0.23 0.00 0.00 176.35 177.31 2k5i n GLY 131 N 4.85 -0.33 0.46 -3.19 0.00 -1.26 -4.72 105.19 101.00 2k5i n GLY 131 Ca -0.11 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 43.91 2k5i n GLY 131 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2k5i h TYR 132 N -0.86 -1.08 0.00 1.61 3.20 -2.00 0.13 116.97 117.97 2k5i h TYR 132 Ca -0.11 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.71 2k5i h TYR 132 Cb 0.33 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 2k5i h TYR 132 CO 0.00 -0.67 -0.15 0.78 -1.64 0.00 0.00 178.16 176.48 2k5i h GLY 133 N -1.25 0.00 0.19 1.82 0.00 -2.00 -2.86 103.07 98.96 2k5i h GLY 133 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2k5i h GLY 133 CO 0.19 0.00 -0.06 0.83 0.00 0.00 0.00 176.54 177.51 2k5i h GLU 134 N 0.00 -0.15 0.00 4.80 5.08 -1.91 -3.36 114.58 119.04 2k5i h GLU 134 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2k5i h GLU 134 Cb 0.43 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k5i h GLU 134 CO 0.02 0.21 -0.05 0.00 -1.00 0.00 0.00 179.01 178.20 2k5i h ALA 135 N -0.59 1.42 0.00 3.43 0.00 -0.73 -0.64 119.26 122.16 2k5i h ALA 135 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k5i h ALA 135 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2k5i h ALA 135 CO 0.03 0.06 0.00 -2.37 0.00 0.00 0.00 179.25 176.96 2k5i n THR 136 N -3.75 0.77 0.58 0.00 5.66 -1.08 -2.46 114.28 114.00 2k5i n THR 136 Ca -0.03 0.15 0.12 0.00 -3.05 0.00 0.00 64.05 61.24 2k5i n THR 136 Cb 0.14 -0.97 0.17 0.00 -1.55 0.00 0.00 70.33 68.12 2k5i n THR 136 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k5i n LYS 137 N -1.93 0.28 -3.62 1.09 5.02 -0.25 -4.82 118.16 113.94 2k5i n LYS 137 Ca 0.03 0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 56.03 2k5i n LYS 137 Cb 0.25 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 2k5i n LYS 137 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2k5i s ILE 138 N -3.16 5.26 -0.13 -0.18 1.09 -1.04 -1.02 121.20 122.01 2k5i s ILE 138 Ca 0.06 0.56 0.02 0.00 -1.10 0.00 0.00 60.65 60.19 2k5i s ILE 138 Cb 0.14 -3.59 -0.00 0.00 -1.06 0.00 0.00 42.46 37.94 2k5i s ILE 138 CO 0.72 0.53 -0.19 0.26 -0.10 0.00 0.00 174.94 176.17 2k5i s TRP 139 N -0.57 2.70 0.24 3.97 0.52 -0.83 -0.14 118.94 124.85 2k5i s TRP 139 Ca 0.19 -1.02 0.04 0.00 0.02 0.00 0.00 56.10 55.33 2k5i s TRP 139 Cb -0.14 -1.82 -0.05 0.00 -1.15 0.00 0.00 33.47 30.31 2k5i s TRP 139 CO 0.08 -0.43 -0.02 0.14 0.02 0.00 0.00 176.95 176.74 2k5i s VAL 140 N 0.58 1.20 0.13 4.03 -7.23 0.74 -0.98 120.40 118.88 2k5i s VAL 140 Ca -0.11 -2.06 0.06 0.00 -1.81 0.00 0.00 61.98 58.07 2k5i s VAL 140 Cb -0.16 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2k5i s VAL 140 CO 0.03 -0.32 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.23 2k5i s ARG 141 N -3.82 1.05 -0.43 4.82 0.52 0.30 -1.74 118.95 119.65 2k5i s ARG 141 Ca 0.28 -1.29 -0.29 0.00 -0.52 0.00 0.00 55.73 53.92 2k5i s ARG 141 Cb 0.05 -0.90 0.01 0.00 0.52 0.00 0.00 34.95 34.64 2k5i s ARG 141 CO 0.09 0.16 1.38 0.50 0.02 0.00 0.00 175.30 177.46 2k5i s ARG 142 N -2.86 3.57 -0.15 3.54 6.06 -1.26 -0.92 118.95 126.93 2k5i s ARG 142 Ca 0.11 0.87 0.05 0.00 -2.50 0.00 0.00 55.73 54.26 2k5i s ARG 142 Cb -0.04 -4.02 -0.13 0.00 0.06 0.00 0.00 34.95 30.82 2k5i s ARG 142 CO 0.03 -1.58 -0.07 1.33 -2.50 0.00 0.00 175.30 172.51 2k5i n VAL 143 N 7.06 0.94 -3.49 7.11 0.24 -1.11 -4.94 118.33 124.13 2k5i n VAL 143 Ca 0.16 -0.44 -0.23 0.00 -2.04 0.00 0.00 64.34 61.79 2k5i n VAL 143 Cb 0.48 -0.93 0.06 0.00 -1.47 0.00 0.00 33.84 31.98 2k5i n VAL 143 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2k5i n SER 144 N -2.80 -5.41 -0.04 -1.34 2.88 0.24 -4.91 113.62 102.25 2k5i n SER 144 Ca -0.27 -0.85 0.02 0.00 -1.33 0.00 0.00 58.87 56.44 2k5i n SER 144 Cb 0.86 -4.30 0.35 0.00 -0.75 0.00 0.00 64.21 60.37 2k5i n SER 144 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2k5i h ASP 145 N -1.54 0.56 -2.67 -3.46 5.19 -1.98 -3.43 116.42 109.10 2k5i h ASP 145 Ca -0.63 -0.04 -0.54 0.00 -0.62 0.00 0.00 57.03 55.20 2k5i h ASP 145 Cb 1.34 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 40.72 2k5i h ASP 145 CO 0.47 0.46 1.02 0.00 -3.12 0.00 0.00 179.24 178.08 2k5i s ALA 146 N -5.43 3.65 -0.68 3.45 0.00 -1.26 -4.90 121.76 116.59 2k5i s ALA 146 Ca -0.09 1.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.92 2k5i s ALA 146 Cb 0.17 -3.71 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 2k5i s ALA 146 CO 0.75 -1.20 3.05 0.41 0.00 0.00 0.00 175.76 178.78 2k5i n GLY 147 N 4.03 4.00 3.86 0.00 0.00 -1.26 -4.89 105.19 110.93 2k5i n GLY 147 Ca 0.16 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 2k5i n GLY 147 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5i s GLU 148 N 0.14 2.23 0.68 1.61 -1.05 -1.26 -5.13 118.70 115.93 2k5i s GLU 148 Ca 0.63 -2.24 -0.14 0.00 -0.15 0.00 0.00 54.97 53.07 2k5i s GLU 148 Cb 0.29 -1.82 0.01 0.00 -0.44 0.00 0.00 34.13 32.16 2k5i s GLU 148 CO -0.09 -0.56 1.10 -1.21 0.95 0.00 0.00 175.26 175.45 2k5i s GLU 149 N -4.13 2.69 0.84 -4.83 2.02 -1.26 -5.06 118.70 108.97 2k5i s GLU 149 Ca 0.18 1.33 -0.07 0.00 0.02 0.00 0.00 54.97 56.43 2k5i s GLU 149 Cb -0.01 -1.94 0.17 0.00 0.10 0.00 0.00 34.13 32.45 2k5i s GLU 149 CO 0.11 -1.33 1.15 0.45 0.02 0.00 0.00 175.26 175.67 2k5i s SER 150 N -2.79 3.71 -0.26 -0.19 0.15 -1.26 -5.09 113.70 107.98 2k5i s SER 150 Ca 0.65 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 57.14 2k5i s SER 150 Cb -0.20 -0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.14 2k5i s SER 150 CO 0.45 -2.31 -0.08 -1.00 1.20 0.00 0.00 173.24 171.49 2k5i s HIS 151 N -3.49 3.16 0.44 3.44 0.09 -1.26 -5.12 115.29 112.56 2k5i s HIS 151 Ca 0.71 -1.95 -0.22 0.00 -0.00 0.00 0.00 55.06 53.60 2k5i s HIS 151 Cb -0.04 -2.00 -0.09 0.00 -0.00 0.00 0.00 32.58 30.45 2k5i s HIS 151 CO 0.48 -0.82 1.02 -1.25 -0.00 0.00 0.00 174.74 174.18 2k5i s PRO 152 N 1.21 4.02 0.44 8.40 0.04 -1.26 -5.08 135.00 142.78 2k5i s PRO 152 Ca -0.04 1.37 -0.05 0.00 0.04 0.00 0.00 61.00 62.32 2k5i s PRO 152 Cb -0.18 -2.28 0.10 0.00 0.04 0.00 0.00 34.50 32.17 2k5i s PRO 152 CO -0.05 -0.24 0.60 0.00 0.04 0.00 0.00 177.00 177.35 2k5i n GLN 153 N -0.56 -0.24 -1.82 4.56 0.00 -1.26 -5.03 117.38 113.03 2k5i n GLN 153 Ca 0.07 -1.22 -0.39 0.00 0.00 0.00 0.00 57.00 55.46 2k5i n GLN 153 Cb 0.52 -0.53 0.03 0.00 0.00 0.00 0.00 30.24 30.25 2k5i n GLN 153 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2k5i s LYS 154 N -4.16 3.40 0.62 2.61 3.01 -1.26 -4.99 119.74 118.98 2k5i s LYS 154 Ca 0.37 2.28 -0.15 0.00 -1.01 0.00 0.00 55.97 57.45 2k5i s LYS 154 Cb -0.01 -2.43 -0.02 0.00 -1.01 0.00 0.00 37.83 34.35 2k5i s LYS 154 CO 0.25 -1.00 1.08 -0.48 0.51 0.00 0.00 175.35 175.71 2k5i s LEU 155 N -3.16 3.46 0.04 3.17 2.34 -1.26 -5.02 118.68 118.25 2k5i s LEU 155 Ca 0.67 1.88 -0.28 0.00 0.06 0.00 0.00 54.13 56.46 2k5i s LEU 155 Cb -0.41 -4.54 -0.05 0.00 -0.56 0.00 0.00 46.19 40.63 2k5i s LEU 155 CO 0.50 -1.33 0.88 -1.61 -1.06 0.00 0.00 176.35 173.73 2k5i s GLU 156 N -4.09 4.57 -0.08 1.48 2.02 -1.26 -4.79 118.70 116.55 2k5i s GLU 156 Ca 0.65 1.26 -0.16 0.00 0.02 0.00 0.00 54.97 56.73 2k5i s GLU 156 Cb -0.18 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 2k5i s GLU 156 CO 0.39 0.15 0.42 -1.01 0.02 0.00 0.00 175.26 175.22 2k5i s HIS 157 N 0.34 3.59 0.49 1.61 3.76 -1.26 -5.10 115.29 118.72 2k5i s HIS 157 Ca 0.45 0.88 0.08 0.00 -0.15 0.00 0.00 55.06 56.31 2k5i s HIS 157 Cb -0.21 -2.42 0.03 0.00 1.11 0.00 0.00 32.58 31.09 2k5i s HIS 157 CO 0.26 0.36 0.52 -1.01 -0.85 0.00 0.00 174.74 174.02 2k5i s HIS 158 N -0.06 2.11 -0.18 1.40 0.09 -1.26 -5.00 115.29 112.40 2k5i s HIS 158 Ca 0.23 -0.63 -0.29 0.00 -0.00 0.00 0.00 55.06 54.37 2k5i s HIS 158 Cb -0.15 -2.14 -0.02 0.00 -0.00 0.00 0.00 32.58 30.26 2k5i s HIS 158 CO 0.10 -0.51 1.39 -1.01 -0.00 0.00 0.00 174.74 174.70 2k5i s HIS 159 N -2.58 2.56 0.44 1.40 3.76 -1.26 -4.90 115.29 114.71 2k5i s HIS 159 Ca 0.49 0.78 0.38 0.00 -0.15 0.00 0.00 55.06 56.55 2k5i s HIS 159 Cb -0.04 -3.71 1.90 0.00 1.11 0.00 0.00 32.58 31.84 2k5i s HIS 159 CO 0.30 -2.25 2.19 0.45 -0.85 0.00 0.00 174.74 174.58 2k5i h HIS 160 N 8.96 0.00 -2.87 1.40 3.86 -2.06 -3.32 115.15 121.12 2k5i h HIS 160 Ca -0.30 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.34 2k5i h HIS 160 Cb 1.12 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.19 2k5i h HIS 160 CO 0.84 0.02 -0.78 -1.01 0.86 0.00 0.00 177.93 177.86 2k5i s HIS 161 N -4.01 1.22 0.00 2.45 3.76 -1.26 -5.36 115.29 112.09 2k5i s HIS 161 Ca -0.03 -1.71 0.00 0.00 -0.15 0.00 0.00 55.06 53.17 2k5i s HIS 161 Cb 0.12 -1.37 0.00 0.00 1.11 0.00 0.00 32.58 32.44 2k5i s HIS 161 CO 0.49 -0.83 0.00 1.58 -0.85 0.00 0.00 174.74 175.13