#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 0.73 0.59 3.17 1.02 -1.26 -0.68 119.74 123.31 2k5i s LYS 2 Ca 0.00 -0.44 0.34 0.00 0.02 0.00 0.00 55.97 55.89 2k5i s LYS 2 Cb 0.00 -0.69 1.84 0.00 -0.52 0.00 0.00 37.83 38.46 2k5i s LYS 2 CO 0.00 0.18 2.20 1.37 -0.92 0.00 0.00 175.35 178.18 2k5i h LEU 3 N 5.59 0.00 -2.07 3.17 -0.00 -1.76 -2.61 115.31 117.64 2k5i h LEU 3 Ca -0.32 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.66 2k5i h LEU 3 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.83 2k5i h LEU 3 CO 0.48 0.04 0.34 0.77 -0.00 0.00 0.00 178.44 180.07 2k5i h SER 4 N 0.00 0.00 0.00 0.17 4.64 -1.85 -1.62 113.55 114.89 2k5i h SER 4 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k5i h SER 4 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2k5i h SER 4 CO 0.01 0.00 -0.05 -2.11 -0.87 0.00 0.00 176.83 173.80 2k5i n ARG 5 N -3.93 1.26 -3.24 4.77 1.85 -0.99 -4.95 116.66 111.43 2k5i n ARG 5 Ca 0.06 -2.31 -0.34 0.00 -1.00 0.00 0.00 57.85 54.25 2k5i n ARG 5 Cb 0.51 -1.35 -0.06 0.00 -1.05 0.00 0.00 32.46 30.51 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 -2.41 4.25 0.01 2.89 2.96 -0.61 -4.92 118.68 120.86 2k5i s LEU 6 Ca 0.26 1.21 -0.30 0.00 -0.22 0.00 0.00 54.13 55.07 2k5i s LEU 6 Cb 0.23 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 2k5i s LEU 6 CO 0.02 -0.02 1.18 -0.69 -1.32 0.00 0.00 176.35 175.53 2k5i s VAL 7 N -1.66 4.19 0.15 1.68 1.01 -1.26 -4.96 120.40 119.55 2k5i s VAL 7 Ca 0.45 1.55 -0.34 0.00 0.00 0.00 0.00 61.98 63.64 2k5i s VAL 7 Cb -0.14 -4.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.10 2k5i s VAL 7 CO 0.20 0.07 1.54 -0.81 0.00 0.00 0.00 175.10 176.10 2k5i n PRO 8 N 4.43 1.98 0.00 2.72 -0.04 -1.26 -2.00 135.00 140.82 2k5i n PRO 8 Ca 0.09 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 2k5i n PRO 8 Cb 0.47 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 2k5i n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k5i n GLY 9 N 3.26 1.96 3.64 0.55 0.00 0.70 -4.96 105.19 110.33 2k5i n GLY 9 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.54 4.81 -0.21 1.61 1.01 -0.85 -4.91 120.40 119.32 2k5i s VAL 10 Ca 0.00 1.49 -0.29 0.00 0.00 0.00 0.00 61.98 63.18 2k5i s VAL 10 Cb 0.00 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2k5i s VAL 10 CO 0.00 -0.14 1.46 -2.16 0.00 0.00 0.00 175.10 174.26 2k5i s PRO 11 N 2.92 3.96 0.53 2.72 0.04 -1.26 -4.05 135.00 139.86 2k5i s PRO 11 Ca 0.35 1.60 0.03 0.00 0.04 0.00 0.00 61.00 63.02 2k5i s PRO 11 Cb -0.15 -3.93 0.01 0.00 0.04 0.00 0.00 34.50 30.47 2k5i s PRO 11 CO 0.09 -1.08 0.16 0.00 0.04 0.00 0.00 177.00 176.21 2k5i s ALA 12 N 4.49 4.27 -0.03 8.56 0.00 0.94 -0.83 121.76 139.17 2k5i s ALA 12 Ca 0.64 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2k5i s ALA 12 Cb -0.23 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.64 2k5i s ALA 12 CO 0.25 -0.19 0.01 0.50 0.00 0.00 0.00 175.76 176.33 2k5i s ARG 13 N -4.04 0.16 -0.30 0.00 3.52 0.14 0.28 118.95 118.70 2k5i s ARG 13 Ca 0.16 0.13 -0.28 0.00 -0.13 0.00 0.00 55.73 55.61 2k5i s ARG 13 Cb -0.00 -0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 32.96 2k5i s ARG 13 CO 0.10 -0.15 1.95 0.42 -0.81 0.00 0.00 175.30 176.80 2k5i s ILE 14 N 1.08 3.31 -0.08 4.11 -1.09 0.74 -0.31 121.20 128.97 2k5i s ILE 14 Ca -0.09 0.32 -0.22 0.00 -2.23 0.00 0.00 60.65 58.42 2k5i s ILE 14 Cb -0.13 -3.43 -0.29 0.00 -1.58 0.00 0.00 42.46 37.03 2k5i s ILE 14 CO -0.02 -0.28 0.78 0.11 -1.23 0.00 0.00 174.94 174.30 2k5i h LYS 15 N 13.73 0.21 -2.26 2.79 1.57 -0.84 0.20 116.57 131.97 2k5i h LYS 15 Ca -0.36 -0.37 0.15 0.00 -1.87 0.00 0.00 60.65 58.21 2k5i h LYS 15 Cb 1.19 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 33.52 2k5i h LYS 15 CO 1.01 1.18 0.51 -0.98 -0.57 0.00 0.00 179.45 180.60 2k5i s ARG 16 N -2.39 0.96 -0.06 3.15 1.70 -1.08 -4.52 118.95 116.72 2k5i s ARG 16 Ca -0.16 -0.46 0.03 0.00 -0.47 0.00 0.00 55.73 54.67 2k5i s ARG 16 Cb 0.01 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.74 2k5i s ARG 16 CO 0.78 -0.43 -0.13 -0.51 -1.08 0.00 0.00 175.30 173.92 2k5i s LEU 17 N -2.71 2.79 -0.07 -1.89 1.02 -1.26 -1.20 118.68 115.35 2k5i s LEU 17 Ca 0.09 -0.18 0.12 0.00 0.02 0.00 0.00 54.13 54.18 2k5i s LEU 17 Cb -0.01 -1.58 0.34 0.00 0.02 0.00 0.00 46.19 44.97 2k5i s LEU 17 CO -0.04 0.34 1.27 -1.84 0.02 0.00 0.00 176.35 176.10 2k5i n GLU 18 N 2.37 2.75 -4.65 1.70 0.28 -0.89 -5.00 120.64 117.21 2k5i n GLU 18 Ca -0.17 -2.30 -0.25 0.00 -0.16 0.00 0.00 57.16 54.27 2k5i n GLU 18 Cb 0.52 -1.45 -0.14 0.00 1.43 0.00 0.00 31.44 31.80 2k5i n GLU 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2k5i s VAL 19 N -1.82 1.62 0.48 3.84 0.11 -1.25 -5.06 120.40 118.32 2k5i s VAL 19 Ca 0.27 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 2k5i s VAL 19 Cb 0.20 -1.41 -0.00 0.00 -1.53 0.00 0.00 36.38 33.63 2k5i s VAL 19 CO 0.10 0.21 0.01 -1.54 -3.33 0.00 0.00 175.10 170.55 2k5i n SER 20 N 1.92 3.20 0.00 3.54 3.41 -1.26 -4.61 113.62 119.82 2k5i n SER 20 Ca -0.17 -3.12 0.00 0.00 -0.26 0.00 0.00 58.87 55.32 2k5i n SER 20 Cb 0.53 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 2k5i n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k5i n GLY 21 N -0.77 0.46 0.20 5.00 0.00 -1.26 -4.23 105.19 104.58 2k5i n GLY 21 Ca -0.19 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.28 -0.14 1.61 3.07 -2.03 -2.52 114.58 114.29 2k5i h GLU 22 Ca 0.00 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.83 2k5i h GLU 22 Cb 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2k5i h GLU 22 CO 0.00 -0.19 -0.12 1.25 -1.40 0.00 0.00 179.01 178.56 2k5i h LEU 23 N -0.29 0.21 -0.59 1.33 5.85 -1.97 -3.17 115.31 116.68 2k5i h LEU 23 Ca 0.03 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k5i h LEU 23 Cb 0.33 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2k5i h LEU 23 CO -0.11 0.35 0.33 -0.74 -0.34 0.00 0.00 178.44 177.92 2k5i h HIS 24 N 0.21 0.80 -0.47 1.25 2.76 -1.62 -1.45 115.15 116.63 2k5i h HIS 24 Ca 0.04 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 2k5i h HIS 24 Cb 0.34 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 2k5i h HIS 24 CO 0.00 0.58 -0.04 1.05 -1.30 0.00 0.00 177.93 178.22 2k5i h GLU 25 N 0.80 0.81 -0.06 5.26 -0.00 -1.54 -2.36 114.58 117.49 2k5i h GLU 25 Ca 0.21 -0.24 -0.23 0.00 -0.00 0.00 0.00 59.36 59.10 2k5i h GLU 25 Cb 0.04 -0.08 0.01 0.00 -0.00 0.00 0.00 28.75 28.71 2k5i h GLU 25 CO -0.03 0.85 -0.87 1.57 -0.00 0.00 0.00 179.01 180.52 2k5i h LYS 26 N 0.75 0.59 0.50 1.06 2.10 -1.63 -2.56 116.57 117.38 2k5i h LYS 26 Ca 0.14 -0.55 -0.02 0.00 -2.00 0.00 0.00 60.65 58.22 2k5i h LYS 26 Cb 0.52 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.98 2k5i h LYS 26 CO 0.03 1.17 -0.33 -0.07 -2.00 0.00 0.00 179.45 178.25 2k5i h LEU 27 N 0.37 -0.83 -1.49 7.07 3.38 -1.07 0.80 115.31 123.53 2k5i h LEU 27 Ca -0.07 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2k5i h LEU 27 Cb 1.50 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 2k5i h LEU 27 CO 0.16 -0.51 -0.17 -0.37 0.09 0.00 0.00 178.44 177.64 2k5i h VAL 28 N -0.80 1.16 -0.30 1.22 -1.51 -1.54 0.18 116.25 114.68 2k5i h VAL 28 Ca -0.06 -0.75 -0.12 0.00 -1.23 0.00 0.00 66.70 64.54 2k5i h VAL 28 Cb 0.66 1.31 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2k5i h VAL 28 CO 0.05 0.22 -0.30 1.23 -1.23 0.00 0.00 177.57 177.55 2k5i h GLY 29 N 0.69 0.79 1.55 5.19 0.00 -1.20 -3.29 103.07 106.81 2k5i h GLY 29 Ca 0.02 -0.81 -0.21 0.00 0.00 0.00 0.00 47.33 46.33 2k5i h GLY 29 CO 0.02 0.73 -0.86 -0.33 0.00 0.00 0.00 176.54 176.10 2k5i h MET 30 N 0.47 0.41 0.00 4.80 2.86 -0.50 -3.47 114.93 119.51 2k5i h MET 30 Ca 0.05 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 2k5i h MET 30 Cb 0.87 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2k5i h MET 30 CO 0.07 1.06 0.00 0.41 1.06 0.00 0.00 176.91 179.51 2k5i n GLY 31 N 0.81 0.31 3.36 8.32 0.00 -0.21 -4.90 105.19 112.89 2k5i n GLY 31 Ca -0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.33 3.80 0.02 1.61 0.40 0.48 -4.84 117.98 119.12 2k5i s PHE 32 Ca 0.00 -2.14 0.03 0.00 -0.60 0.00 0.00 56.93 54.22 2k5i s PHE 32 Cb 0.00 -3.94 -0.02 0.00 0.51 0.00 0.00 43.02 39.57 2k5i s PHE 32 CO 0.00 -1.09 -0.09 0.14 0.70 0.00 0.00 175.22 174.88 2k5i s VAL 33 N 0.24 0.66 -0.59 -0.44 -7.23 -1.26 -4.23 120.40 107.54 2k5i s VAL 33 Ca 0.27 -0.71 -0.32 0.00 -1.81 0.00 0.00 61.98 59.40 2k5i s VAL 33 Cb -0.08 -0.62 -0.14 0.00 0.56 0.00 0.00 36.38 36.09 2k5i s VAL 33 CO -0.08 -0.07 2.40 -2.65 -0.31 0.00 0.00 175.10 174.39 2k5i n PRO 34 N 2.19 0.65 0.00 4.82 -0.02 -1.26 -1.80 135.00 139.59 2k5i n PRO 34 Ca -0.17 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2k5i n PRO 34 Cb 0.56 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 6.48 3.47 3.69 -1.23 0.00 0.06 -5.01 105.19 112.65 2k5i n GLY 35 Ca 0.49 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 2k5i n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5i n GLU 36 N 0.00 2.45 -3.28 1.61 -0.58 -0.74 -4.70 120.64 115.39 2k5i n GLU 36 Ca 0.00 0.89 -0.40 0.00 -0.42 0.00 0.00 57.16 57.22 2k5i n GLU 36 Cb 0.00 -2.70 -0.08 0.00 -0.57 0.00 0.00 31.44 28.09 2k5i n GLU 36 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2k5i s GLU 37 N 1.33 3.89 -0.04 3.49 2.02 -1.26 -0.18 118.70 127.94 2k5i s GLU 37 Ca 0.78 0.06 0.06 0.00 0.02 0.00 0.00 54.97 55.90 2k5i s GLU 37 Cb -0.60 -3.71 -0.01 0.00 0.10 0.00 0.00 34.13 29.91 2k5i s GLU 37 CO 0.36 -0.44 -0.23 -1.50 0.02 0.00 0.00 175.26 173.47 2k5i s ILE 38 N 2.27 1.89 0.02 -1.63 2.07 0.14 -4.77 121.20 121.19 2k5i s ILE 38 Ca 0.18 -1.00 0.09 0.00 -1.41 0.00 0.00 60.65 58.51 2k5i s ILE 38 Cb -0.16 -1.59 -0.03 0.00 0.13 0.00 0.00 42.46 40.82 2k5i s ILE 38 CO 0.11 0.53 -0.26 -1.83 -1.91 0.00 0.00 174.94 171.58 2k5i s GLU 39 N -0.33 1.85 0.20 3.50 -1.05 -1.18 -0.04 118.70 121.65 2k5i s GLU 39 Ca 0.03 -1.03 -0.28 0.00 -0.15 0.00 0.00 54.97 53.54 2k5i s GLU 39 Cb -0.11 -1.95 -0.08 0.00 -0.44 0.00 0.00 34.13 31.55 2k5i s GLU 39 CO 0.01 0.51 0.86 0.42 0.95 0.00 0.00 175.26 178.02 2k5i s ILE 40 N -0.74 4.22 -0.18 1.83 -1.09 -1.26 -0.11 121.20 123.88 2k5i s ILE 40 Ca 0.11 1.90 -0.15 0.00 -2.23 0.00 0.00 60.65 60.28 2k5i s ILE 40 Cb -0.10 -4.24 -0.07 0.00 -1.58 0.00 0.00 42.46 36.47 2k5i s ILE 40 CO 0.01 0.51 -0.23 0.52 -1.23 0.00 0.00 174.94 174.52 2k5i n VAL 41 N 1.57 1.48 -3.63 2.92 0.31 0.89 -0.22 118.33 121.66 2k5i n VAL 41 Ca -0.04 0.08 -0.15 0.00 -0.01 0.00 0.00 64.34 64.23 2k5i n VAL 41 Cb 0.48 -2.27 -0.07 0.00 -0.91 0.00 0.00 33.84 31.07 2k5i n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k5i s GLN 42 N -2.56 0.92 -0.03 5.55 -2.07 -1.06 -4.65 119.66 115.76 2k5i s GLN 42 Ca -0.25 -0.13 0.07 0.00 -1.82 0.00 0.00 55.36 53.23 2k5i s GLN 42 Cb 0.05 0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 32.37 2k5i s GLN 42 CO 0.38 -0.30 -0.24 0.08 -1.32 0.00 0.00 175.29 173.89 2k5i s VAL 43 N -1.84 2.20 0.70 3.63 1.01 -1.26 -1.48 120.40 123.36 2k5i s VAL 43 Ca -0.09 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.69 2k5i s VAL 43 Cb -0.02 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.60 2k5i s VAL 43 CO 0.03 0.58 1.22 0.00 0.00 0.00 0.00 175.10 176.92 2k5i s ALA 44 N -0.50 2.21 0.48 5.51 0.00 -0.91 -4.90 121.76 123.65 2k5i s ALA 44 Ca 0.06 0.94 0.22 0.00 0.00 0.00 0.00 51.96 53.19 2k5i s ALA 44 Cb -0.11 -3.48 1.25 0.00 0.00 0.00 0.00 23.12 20.78 2k5i s ALA 44 CO 0.00 -1.74 1.92 -1.00 0.00 0.00 0.00 175.76 174.94 2k5i h PRO 45 N -0.02 0.20 0.09 0.00 0.13 -1.92 -1.99 132.00 128.50 2k5i h PRO 45 Ca -0.48 -0.01 -0.33 0.00 -0.87 0.00 0.00 66.00 64.31 2k5i h PRO 45 Cb 1.30 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2k5i h PRO 45 CO 0.51 0.14 -1.78 1.28 -0.23 0.00 0.00 178.00 177.91 2k5i n LEU 46 N -4.41 2.40 0.00 1.56 4.32 -1.26 -5.03 117.00 114.58 2k5i n LEU 46 Ca 0.15 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 2k5i n LEU 46 Cb 0.68 -1.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 2k5i n LEU 46 CO 0.35 0.68 0.00 0.61 -1.22 0.00 0.00 177.39 177.81 2k5i n GLY 47 N 1.82 3.64 3.65 -0.72 0.00 -0.75 -5.11 105.19 107.73 2k5i n GLY 47 Ca -0.32 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 2k5i n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k5i s ASP 48 N 0.00 6.69 0.30 1.61 1.01 -1.26 -3.74 116.67 121.28 2k5i s ASP 48 Ca 0.00 0.84 0.04 0.00 0.71 0.00 0.00 52.55 54.15 2k5i s ASP 48 Cb 0.00 -2.36 0.04 0.00 1.01 0.00 0.00 42.92 41.62 2k5i s ASP 48 CO 0.00 -0.32 0.36 -0.81 0.21 0.00 0.00 175.17 174.62 2k5i n PRO 49 N 5.26 0.87 -5.29 8.23 -0.04 -1.26 -4.79 135.00 137.98 2k5i n PRO 49 Ca -0.00 -1.66 -0.31 0.00 -0.04 0.00 0.00 63.50 61.49 2k5i n PRO 49 Cb 0.49 -0.04 -0.16 0.00 -0.04 0.00 0.00 33.50 33.75 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 -1.00 2.05 -0.19 0.52 -0.00 0.31 -2.14 121.20 120.76 2k5i s ILE 50 Ca 0.28 -1.09 -0.06 0.00 -0.00 0.00 0.00 60.65 59.78 2k5i s ILE 50 Cb -0.02 -1.71 -0.03 0.00 -0.00 0.00 0.00 42.46 40.70 2k5i s ILE 50 CO 0.17 0.58 0.02 -0.69 -0.00 0.00 0.00 174.94 175.02 2k5i s VAL 51 N -0.46 4.24 0.47 8.37 1.01 -0.55 -1.43 120.40 132.04 2k5i s VAL 51 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2k5i s VAL 51 Cb -0.11 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 2k5i s VAL 51 CO 0.01 0.45 0.04 0.00 0.00 0.00 0.00 175.10 175.59 2k5i s LYS 53 N -3.71 2.15 -0.10 0.00 1.02 0.85 -0.46 119.74 119.48 2k5i s LYS 53 Ca 0.05 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.39 2k5i s LYS 53 Cb 0.00 -2.21 0.02 0.00 -0.52 0.00 0.00 37.83 35.13 2k5i s LYS 53 CO 0.04 -0.32 -0.08 0.42 -0.92 0.00 0.00 175.35 174.49 2k5i s ILE 54 N 1.46 1.02 -1.14 2.17 1.01 -0.15 -3.08 121.20 122.49 2k5i s ILE 54 Ca 0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 2k5i s ILE 54 Cb -0.14 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.31 2k5i s ILE 54 CO -0.10 0.36 0.97 0.61 0.00 0.00 0.00 174.94 176.79 2k5i n GLY 55 N 4.74 -0.33 3.11 6.18 0.00 -1.26 -2.67 105.19 114.95 2k5i n GLY 55 Ca -0.14 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.77 -2.98 -4.45 1.61 4.13 -1.26 -4.97 115.26 104.57 2k5i n ASN 56 Ca -0.14 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 55.88 2k5i n ASN 56 Cb 0.61 -2.24 -0.10 0.00 -1.54 0.00 0.00 39.78 36.51 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 -1.10 1.63 -0.14 3.52 1.70 -1.09 -5.12 118.95 118.34 2k5i s ARG 57 Ca 0.00 -1.75 -0.17 0.00 -0.47 0.00 0.00 55.73 53.35 2k5i s ARG 57 Cb 0.00 -1.66 -0.04 0.00 -0.57 0.00 0.00 34.95 32.67 2k5i s ARG 57 CO 0.00 0.30 0.41 -0.80 -1.08 0.00 0.00 175.30 174.13 2k5i s ASN 58 N -3.48 6.58 -0.14 -2.89 -0.87 -1.26 -0.98 114.94 111.91 2k5i s ASN 58 Ca 0.29 0.69 0.01 0.00 -1.57 0.00 0.00 52.86 52.28 2k5i s ASN 58 Cb -0.04 -2.25 -0.00 0.00 -0.02 0.00 0.00 41.25 38.94 2k5i s ASN 58 CO 0.14 0.02 -0.18 -0.63 -2.57 0.00 0.00 177.10 173.88 2k5i s ILE 59 N 0.66 2.49 -0.26 0.60 -1.09 0.39 -4.94 121.20 119.05 2k5i s ILE 59 Ca 0.22 -0.84 -0.10 0.00 -2.23 0.00 0.00 60.65 57.70 2k5i s ILE 59 Cb -0.14 -2.02 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 2k5i s ILE 59 CO 0.08 0.53 0.15 -0.89 -1.23 0.00 0.00 174.94 173.58 2k5i s THR 60 N 0.63 5.06 0.11 2.92 2.01 -1.26 -0.72 115.64 124.39 2k5i s THR 60 Ca -0.10 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.08 2k5i s THR 60 Cb -0.16 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2k5i s THR 60 CO 0.03 0.29 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.27 2k5i s LEU 61 N 1.56 2.30 0.66 4.42 2.01 -0.52 -4.99 118.68 124.13 2k5i s LEU 61 Ca 0.07 -0.70 -0.11 0.00 0.01 0.00 0.00 54.13 53.40 2k5i s LEU 61 Cb -0.15 -0.97 -0.01 0.00 0.01 0.00 0.00 46.19 45.06 2k5i s LEU 61 CO 0.08 0.09 1.05 -0.13 1.01 0.00 0.00 176.35 178.45 2k5i s ARG 62 N -1.93 3.21 0.07 1.70 1.81 -1.26 -0.53 118.95 122.02 2k5i s ARG 62 Ca 0.08 0.88 -0.37 0.00 -1.72 0.00 0.00 55.73 54.61 2k5i s ARG 62 Cb -0.10 -2.03 -0.20 0.00 -0.45 0.00 0.00 34.95 32.17 2k5i s ARG 62 CO 0.05 -0.88 1.58 -0.22 -0.68 0.00 0.00 175.30 175.15 2k5i h LYS 63 N -0.52 -1.18 0.00 3.54 3.64 -1.93 0.96 116.57 121.08 2k5i h LYS 63 Ca -0.44 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.00 2k5i h LYS 63 Cb 1.20 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2k5i h LYS 63 CO 0.59 -0.79 -0.11 0.07 -2.27 0.00 0.00 179.45 176.94 2k5i h ARG 64 N -1.23 0.00 -0.13 1.90 -0.00 -1.97 0.29 114.38 113.25 2k5i h ARG 64 Ca -0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.84 2k5i h ARG 64 Cb 0.96 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.93 2k5i h ARG 64 CO 0.16 0.11 -0.02 0.93 -0.00 0.00 0.00 179.97 181.15 2k5i h GLU 65 N 0.00 0.24 0.00 0.08 4.39 -1.89 -3.15 114.58 114.25 2k5i h GLU 65 Ca -0.00 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 2k5i h GLU 65 Cb 0.23 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2k5i h GLU 65 CO 0.01 0.52 -0.26 0.00 -1.16 0.00 0.00 179.01 178.13 2k5i h ALA 66 N 0.71 1.23 0.00 3.43 0.00 0.09 -1.57 119.26 123.16 2k5i h ALA 66 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k5i h ALA 66 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k5i h ALA 66 CO 0.01 0.32 0.00 -0.44 0.00 0.00 0.00 179.25 179.14 2k5i h ASP 67 N 0.00 0.00 -0.28 0.00 3.32 -0.93 -1.24 116.42 117.30 2k5i h ASP 67 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k5i h ASP 67 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2k5i h ASP 67 CO 0.03 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.73 2k5i n LEU 68 N -2.35 1.99 -4.28 1.55 4.77 -0.59 -4.79 117.00 113.31 2k5i n LEU 68 Ca -0.01 -0.91 -0.32 0.00 -0.03 0.00 0.00 56.01 54.74 2k5i n LEU 68 Cb 0.07 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 40.82 2k5i n LEU 68 CO 0.12 0.45 -0.52 -0.63 -1.33 0.00 0.00 177.39 175.49 2k5i s ILE 69 N -1.63 2.42 -0.35 -0.08 1.09 -0.47 -2.09 121.20 120.09 2k5i s ILE 69 Ca 0.30 -0.89 -0.13 0.00 -1.10 0.00 0.00 60.65 58.83 2k5i s ILE 69 Cb 0.16 -1.96 -0.01 0.00 -1.06 0.00 0.00 42.46 39.59 2k5i s ILE 69 CO 0.23 0.55 0.24 -0.70 -0.10 0.00 0.00 174.94 175.16 2k5i s GLU 70 N 0.32 3.40 0.55 2.79 2.56 -0.34 -4.21 118.70 123.77 2k5i s GLU 70 Ca -0.16 -0.71 0.06 0.00 0.00 0.00 0.00 54.97 54.16 2k5i s GLU 70 Cb -0.17 -3.81 0.04 0.00 2.00 0.00 0.00 34.13 32.19 2k5i s GLU 70 CO 0.08 -0.49 0.43 0.14 -0.56 0.00 0.00 175.26 174.86 2k5i s VAL 71 N 1.71 1.66 -0.12 3.70 -7.23 0.14 -0.17 120.40 120.09 2k5i s VAL 71 Ca 0.06 -1.46 -0.10 0.00 -1.81 0.00 0.00 61.98 58.66 2k5i s VAL 71 Cb -0.18 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.68 2k5i s VAL 71 CO 0.10 0.00 0.31 -0.70 -0.31 0.00 0.00 175.10 174.50 2k5i s GLU 72 N -4.31 0.35 -0.28 4.82 2.56 0.58 -4.06 118.70 118.35 2k5i s GLU 72 Ca 0.35 0.44 -0.29 0.00 0.00 0.00 0.00 54.97 55.47 2k5i s GLU 72 Cb -0.02 0.16 -0.01 0.00 2.00 0.00 0.00 34.13 36.26 2k5i s GLU 72 CO 0.22 -0.05 1.42 0.08 -0.56 0.00 0.00 175.26 176.37 2k5i s VAL 73 N 0.24 3.97 -0.18 3.70 1.01 -1.26 0.26 120.40 128.13 2k5i s VAL 73 Ca -0.01 1.08 0.16 0.00 0.00 0.00 0.00 61.98 63.22 2k5i s VAL 73 Cb -0.03 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.40 2k5i s VAL 73 CO -0.00 -0.44 1.35 0.58 0.00 0.00 0.00 175.10 176.59 2k5i h VAL 74 N 6.07 0.71 -3.01 2.92 2.07 -1.28 -3.47 116.25 120.26 2k5i h VAL 74 Ca -0.29 -2.04 -0.33 0.00 0.82 0.00 0.00 66.70 64.86 2k5i h VAL 74 Cb 1.12 2.30 0.17 0.00 -1.52 0.00 0.00 31.29 33.35 2k5i h VAL 74 CO 1.03 0.40 0.06 0.61 0.02 0.00 0.00 177.57 179.69 2k5i n GLY 75 N 1.24 -2.90 0.32 2.17 0.00 -1.16 -5.00 105.19 99.86 2k5i n GLY 75 Ca 0.00 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.49 -0.89 -0.84 -0.02 0.00 -1.95 -3.47 103.07 93.39 2k5i h GLY 76 Ca -0.34 0.34 -0.61 0.00 0.00 0.00 0.00 47.33 46.71 2k5i h GLY 76 CO 0.22 -0.32 -0.51 -1.83 0.00 0.00 0.00 176.54 174.11 2k5i s GLU 77 N -4.80 2.05 0.05 4.80 1.03 -1.26 -5.06 118.70 115.52 2k5i s GLU 77 Ca -0.12 -2.28 0.02 0.00 0.03 0.00 0.00 54.97 52.62 2k5i s GLU 77 Cb 0.01 -0.96 -0.03 0.00 -0.80 0.00 0.00 34.13 32.35 2k5i s GLU 77 CO 0.36 -0.45 -0.07 -0.48 -1.33 0.00 0.00 175.26 173.30 2k5i s LEU 78 N -3.72 2.33 0.66 1.83 2.34 -1.19 -4.98 118.68 115.94 2k5i s LEU 78 Ca 0.16 -0.68 -0.15 0.00 0.06 0.00 0.00 54.13 53.53 2k5i s LEU 78 Cb 0.02 -0.11 -0.00 0.00 -0.56 0.00 0.00 46.19 45.54 2k5i s LEU 78 CO 0.10 -0.29 1.10 -2.16 -1.06 0.00 0.00 176.35 174.04 2k5i s PRO 79 N -2.21 2.84 0.34 1.48 0.04 -1.26 -0.96 135.00 135.27 2k5i s PRO 79 Ca -0.04 1.34 0.06 0.00 0.04 0.00 0.00 61.00 62.40 2k5i s PRO 79 Cb -0.06 -1.96 0.74 0.00 0.04 0.00 0.00 34.50 33.26 2k5i s PRO 79 CO -0.01 -1.21 1.89 1.25 0.04 0.00 0.00 177.00 178.96 2k5i h LEU 80 N -0.01 0.72 -1.99 -3.56 7.12 0.15 0.11 115.31 117.85 2k5i h LEU 80 Ca -0.46 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 57.56 2k5i h LEU 80 Cb 1.24 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 41.25 2k5i h LEU 80 CO 0.54 0.40 -0.07 -0.29 -0.13 0.00 0.00 178.44 178.90 2k5i h ILE 81 N 0.78 0.88 -0.01 4.05 6.09 -1.29 -2.08 117.51 125.93 2k5i h ILE 81 Ca 0.42 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 63.66 2k5i h ILE 81 Cb 0.53 1.14 0.00 0.00 0.47 0.00 0.00 36.82 38.96 2k5i h ILE 81 CO -0.18 0.07 -0.50 0.18 -3.07 0.00 0.00 178.15 174.65 2k5i n LEU 82 N -4.22 1.51 -4.70 2.19 4.77 -0.01 -4.95 117.00 111.59 2k5i n LEU 82 Ca -0.03 -0.54 -0.42 0.00 -0.03 0.00 0.00 56.01 54.99 2k5i n LEU 82 Cb 0.15 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2k5i n LEU 82 CO 0.33 0.29 1.17 0.00 -1.33 0.00 0.00 177.39 177.85 2k5i s ALA 83 N -2.60 3.64 0.91 -1.18 0.00 -0.78 -4.90 121.76 116.86 2k5i s ALA 83 Ca 0.18 1.13 -0.11 0.00 0.00 0.00 0.00 51.96 53.16 2k5i s ALA 83 Cb 0.18 -3.61 0.14 0.00 0.00 0.00 0.00 23.12 19.84 2k5i s ALA 83 CO 0.61 -0.84 1.11 0.34 0.00 0.00 0.00 175.76 176.98 2k5i s ASP 84 N 1.64 3.08 0.24 0.00 2.15 -1.26 -4.96 116.67 117.56 2k5i s ASP 84 Ca 0.68 1.90 -0.30 0.00 0.43 0.00 0.00 52.55 55.26 2k5i s ASP 84 Cb -0.37 -2.46 -0.10 0.00 -0.30 0.00 0.00 42.92 39.69 2k5i s ASP 84 CO 0.30 -2.95 1.35 1.51 -0.17 0.00 0.00 175.17 175.21 2k5i s ASP 85 N -2.93 6.80 0.00 -0.34 -4.77 -1.26 -4.81 116.67 109.36 2k5i s ASP 85 Ca 0.65 2.55 0.00 0.00 -3.30 0.00 0.00 52.55 52.45 2k5i s ASP 85 Cb -0.21 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.00 2k5i s ASP 85 CO 0.58 -0.58 0.00 0.61 0.70 0.00 0.00 175.17 176.49 2k5i n GLY 86 N 1.97 0.05 3.64 2.12 0.00 -0.57 -4.97 105.19 107.43 2k5i n GLY 86 Ca 0.05 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.82 4.95 0.46 2.61 2.01 -1.26 -0.66 115.64 121.93 2k5i s THR 87 Ca 0.00 1.29 0.04 0.00 0.31 0.00 0.00 61.69 63.33 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 0.02 0.02 -0.31 -0.69 0.00 0.00 174.62 173.66 2k5i s TYR 88 N 2.43 2.21 -0.02 4.92 1.51 0.31 -1.19 117.35 127.51 2k5i s TYR 88 Ca 0.30 -0.80 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 2k5i s TYR 88 Cb -0.16 -1.72 0.00 0.00 -0.11 0.00 0.00 41.96 39.98 2k5i s TYR 88 CO 0.09 0.32 -0.09 -2.00 -1.11 0.00 0.00 175.55 172.75 2k5i s GLU 89 N -3.81 0.92 0.11 -0.62 2.12 0.33 0.60 118.70 118.35 2k5i s GLU 89 Ca 0.22 -0.32 -0.28 0.00 0.36 0.00 0.00 54.97 54.95 2k5i s GLU 89 Cb 0.06 -0.87 -0.06 0.00 0.26 0.00 0.00 34.13 33.52 2k5i s GLU 89 CO 0.12 0.14 0.90 -1.50 -0.54 0.00 0.00 175.26 174.38 2k5i s ILE 90 N 0.08 4.51 -0.08 -3.70 2.07 -0.65 -0.49 121.20 122.93 2k5i s ILE 90 Ca -0.01 1.94 0.03 0.00 -1.41 0.00 0.00 60.65 61.20 2k5i s ILE 90 Cb -0.07 -4.26 -0.07 0.00 0.13 0.00 0.00 42.46 38.19 2k5i s ILE 90 CO 0.00 0.36 -0.04 1.07 -1.91 0.00 0.00 174.94 174.42 2k5i n THR 91 N 2.59 0.50 -3.62 4.00 5.66 -0.32 -2.37 114.28 120.73 2k5i n THR 91 Ca 0.00 -0.23 -0.15 0.00 -3.05 0.00 0.00 64.05 60.62 2k5i n THR 91 Cb 0.49 -0.82 -0.07 0.00 -1.55 0.00 0.00 70.33 68.39 2k5i n THR 91 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2k5i s LYS 92 N -2.18 0.91 0.03 1.09 -2.85 -1.24 -4.92 119.74 110.59 2k5i s LYS 92 Ca -0.09 -0.03 0.04 0.00 -1.00 0.00 0.00 55.97 54.89 2k5i s LYS 92 Cb 0.03 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 2k5i s LYS 92 CO 0.24 -0.29 -0.08 -0.51 0.10 0.00 0.00 175.35 174.81 2k5i s LEU 93 N -1.44 3.12 -0.39 2.77 2.01 -1.26 -2.14 118.68 121.35 2k5i s LEU 93 Ca -0.10 -0.22 -0.06 0.00 0.01 0.00 0.00 54.13 53.76 2k5i s LEU 93 Cb -0.02 -1.82 0.08 0.00 0.01 0.00 0.00 46.19 44.44 2k5i s LEU 93 CO 0.05 0.25 0.19 0.20 1.01 0.00 0.00 176.35 178.05 2k5i s ASN 94 N -1.64 5.38 0.00 2.29 0.02 -0.81 -5.04 114.94 115.14 2k5i s ASN 94 Ca 0.18 -1.62 0.00 0.00 -1.02 0.00 0.00 52.86 50.40 2k5i s ASN 94 Cb -0.11 -1.88 0.00 0.00 0.02 0.00 0.00 41.25 39.27 2k5i s ASN 94 CO 0.09 -0.49 0.00 0.61 0.02 0.00 0.00 177.10 177.34 2k5i n GLY 95 N 4.76 1.83 1.62 0.66 0.00 -1.26 -4.89 105.19 107.91 2k5i n GLY 95 Ca -0.08 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.85 -0.84 0.34 -0.02 0.00 -1.26 -4.75 105.19 97.82 2k5i n GLY 96 Ca 0.00 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.35 2k5i n GLY 96 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k5i h ARG 97 N 0.00 0.57 -0.10 1.61 -0.00 -2.02 -1.32 114.38 113.12 2k5i h ARG 97 Ca -0.17 -0.03 -0.19 0.00 -0.00 0.00 0.00 59.98 59.58 2k5i h ARG 97 Cb 0.50 -0.13 -0.00 0.00 -0.00 0.00 0.00 29.97 30.34 2k5i h ARG 97 CO 0.13 0.38 -0.73 0.00 -0.00 0.00 0.00 179.97 179.75 2k5i h ARG 98 N 0.58 0.49 0.08 0.08 3.08 -1.99 -1.39 114.38 115.31 2k5i h ARG 98 Ca 0.27 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2k5i h ARG 98 Cb 0.31 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2k5i h ARG 98 CO -0.08 1.02 -0.07 0.35 -1.07 0.00 0.00 179.97 180.12 2k5i h PHE 99 N 0.33 -0.18 -0.92 3.04 3.04 -1.62 -2.68 116.94 117.95 2k5i h PHE 99 Ca -0.03 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.91 2k5i h PHE 99 Cb 1.31 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.84 2k5i h PHE 99 CO 0.05 -0.11 0.56 -0.07 -2.02 0.00 0.00 178.31 176.72 2k5i h LEU 100 N -0.17 1.10 -0.12 0.59 3.38 -1.26 -2.67 115.31 116.16 2k5i h LEU 100 Ca 0.00 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2k5i h LEU 100 Cb 0.15 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2k5i h LEU 100 CO -0.01 0.84 -0.19 0.15 0.09 0.00 0.00 178.44 179.32 2k5i h PHE 101 N 1.27 -0.51 0.18 1.13 3.57 -1.03 -0.81 116.94 120.74 2k5i h PHE 101 Ca 0.33 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 2k5i h PHE 101 Cb -0.06 0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2k5i h PHE 101 CO 0.01 -0.27 -0.09 0.00 -2.23 0.00 0.00 178.31 175.73 2k5i h ARG 102 N -0.25 -0.23 -0.78 1.11 3.08 -1.36 -3.02 114.38 112.92 2k5i h ARG 102 Ca 0.10 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.26 2k5i h ARG 102 Cb 0.39 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 2k5i h ARG 102 CO -0.27 -0.13 0.51 0.52 -1.07 0.00 0.00 179.97 179.53 2k5i h MET 103 N -0.27 0.67 0.00 0.04 2.86 -1.25 0.47 114.93 117.45 2k5i h MET 103 Ca -0.02 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2k5i h MET 103 Cb 0.21 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2k5i h MET 103 CO 0.04 0.44 -0.17 0.87 1.06 0.00 0.00 176.91 179.15 2k5i h LYS 104 N 0.69 0.00 0.00 1.72 1.57 -1.03 0.48 116.57 120.00 2k5i h LYS 104 Ca 0.36 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.07 2k5i h LYS 104 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2k5i h LYS 104 CO -0.14 0.17 -0.54 -0.91 -0.57 0.00 0.00 179.45 177.47 2k5i h ASN 105 N 0.00 0.00 0.34 0.86 2.35 -0.86 -3.34 115.58 114.93 2k5i h ASN 105 Ca -0.00 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.43 2k5i h ASN 105 Cb 0.38 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 2k5i h ASN 105 CO 0.02 0.33 -1.84 0.18 -1.65 0.00 0.00 177.43 174.47 2k5i n LEU 106 N -3.09 1.50 0.00 1.61 7.99 -0.88 -5.03 117.00 119.10 2k5i n LEU 106 Ca 0.01 0.32 0.00 0.00 -0.01 0.00 0.00 56.01 56.33 2k5i n LEU 106 Cb 0.67 -0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 2k5i n LEU 106 CO 0.39 0.56 0.00 0.61 -1.51 0.00 0.00 177.39 177.44 2k5i n GLY 107 N 1.72 4.21 3.57 -0.72 0.00 0.11 -4.87 105.19 109.21 2k5i n GLY 107 Ca -0.23 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 2k5i n GLY 107 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k5i s ILE 108 N 0.00 3.10 0.00 -0.61 -0.00 -1.17 -4.59 121.20 117.94 2k5i s ILE 108 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 60.65 60.50 2k5i s ILE 108 Cb 0.00 -3.87 0.00 0.00 -0.00 0.00 0.00 42.46 38.59 2k5i s ILE 108 CO 0.00 -0.19 0.00 -0.62 -0.00 0.00 0.00 174.94 174.13 2k5i n GLU 109 N 8.34 0.00 -3.47 0.37 1.02 -1.26 -4.52 120.64 121.12 2k5i n GLU 109 Ca 0.43 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.58 2k5i n GLU 109 Cb 0.46 -0.09 -0.05 0.00 -0.02 0.00 0.00 31.44 31.74 2k5i n GLU 109 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2k5i s SER 110 N -1.52 -0.33 0.00 1.62 1.04 -1.26 -4.73 113.70 108.52 2k5i s SER 110 Ca 0.00 0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2k5i s SER 110 Cb 0.00 1.27 0.00 0.00 0.10 0.00 0.00 66.02 67.39 2k5i s SER 110 CO 0.00 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2k5i n GLY 111 N 4.12 1.10 3.75 7.32 0.00 -1.00 -5.03 105.19 115.45 2k5i n GLY 111 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.40 4.56 -0.35 1.61 -0.14 -1.26 -4.89 119.74 118.87 2k5i s LYS 112 Ca 0.00 1.17 -0.27 0.00 -1.36 0.00 0.00 55.97 55.51 2k5i s LYS 112 Cb 0.00 -3.34 0.02 0.00 -1.68 0.00 0.00 37.83 32.83 2k5i s LYS 112 CO 0.00 0.35 0.99 0.15 -0.76 0.00 0.00 175.35 176.08 2k5i s LYS 113 N -0.34 3.93 -0.36 1.68 3.01 -1.26 -1.64 119.74 124.76 2k5i s LYS 113 Ca 0.39 0.77 -0.11 0.00 -1.01 0.00 0.00 55.97 56.02 2k5i s LYS 113 Cb -0.22 -3.78 0.02 0.00 -1.01 0.00 0.00 37.83 32.84 2k5i s LYS 113 CO 0.25 -0.94 0.20 -1.50 0.51 0.00 0.00 175.35 173.88 2k5i s ILE 114 N 3.57 4.62 -0.02 2.17 1.10 0.20 -0.89 121.20 131.96 2k5i s ILE 114 Ca 0.41 -0.74 -0.23 0.00 -0.51 0.00 0.00 60.65 59.58 2k5i s ILE 114 Cb -0.12 -3.53 -0.05 0.00 0.15 0.00 0.00 42.46 38.92 2k5i s ILE 114 CO 0.18 -0.17 0.69 -1.10 -2.11 0.00 0.00 174.94 172.43 2k5i s GLN 115 N 1.58 4.42 -0.43 3.50 1.11 0.84 -0.53 119.66 130.15 2k5i s GLN 115 Ca 0.03 0.89 -0.08 0.00 0.01 0.00 0.00 55.36 56.20 2k5i s GLN 115 Cb -0.19 -3.39 0.09 0.00 -1.01 0.00 0.00 33.01 28.51 2k5i s GLN 115 CO 0.07 0.21 0.27 0.08 0.01 0.00 0.00 175.29 175.92 2k5i s VAL 116 N 0.28 4.08 -0.81 1.09 1.01 0.16 -0.79 120.40 125.42 2k5i s VAL 116 Ca 0.36 -1.57 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 2k5i s VAL 116 Cb -0.19 -3.57 0.21 0.00 0.00 0.00 0.00 36.38 32.84 2k5i s VAL 116 CO 0.19 -0.58 0.72 -0.44 0.00 0.00 0.00 175.10 174.99 2k5i s SER 117 N 2.20 6.38 -1.27 3.32 0.01 0.28 -1.51 113.70 123.11 2k5i s SER 117 Ca 0.04 -2.91 -0.03 0.00 1.31 0.00 0.00 55.95 54.36 2k5i s SER 117 Cb -0.24 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 63.89 2k5i s SER 117 CO 0.01 -0.46 0.72 0.61 0.41 0.00 0.00 173.24 174.53 2k5i n GLY 118 N 3.59 -0.44 3.06 3.44 0.00 -1.26 -1.39 105.19 112.19 2k5i n GLY 118 Ca 0.14 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.18 -0.44 -2.95 1.61 5.12 -1.26 -4.98 116.66 109.58 2k5i n ARG 119 Ca -0.26 0.11 -0.43 0.00 -1.93 0.00 0.00 57.85 55.34 2k5i n ARG 119 Cb 0.66 -3.72 -0.05 0.00 -1.16 0.00 0.00 32.46 28.19 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 -0.72 3.49 -0.23 5.56 1.81 -0.48 -5.04 118.95 123.33 2k5i s ARG 120 Ca 0.00 0.00 -0.15 0.00 -1.72 0.00 0.00 55.73 53.87 2k5i s ARG 120 Cb 0.00 -3.91 -0.04 0.00 -0.45 0.00 0.00 34.95 30.55 2k5i s ARG 120 CO 0.00 -1.08 0.36 0.71 -0.68 0.00 0.00 175.30 174.62 2k5i s TYR 121 N 3.30 3.33 -0.11 -0.53 2.02 -1.26 -0.56 117.35 123.54 2k5i s TYR 121 Ca 0.31 0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 57.51 2k5i s TYR 121 Cb -0.12 -2.51 0.03 0.00 -0.40 0.00 0.00 41.96 38.96 2k5i s TYR 121 CO 0.22 -0.07 -0.06 0.71 -1.57 0.00 0.00 175.55 174.79 2k5i s TYR 122 N 1.50 1.33 -0.37 2.71 2.02 0.03 -2.16 117.35 122.41 2k5i s TYR 122 Ca 0.16 -0.65 -0.27 0.00 -0.37 0.00 0.00 57.07 55.94 2k5i s TYR 122 Cb -0.15 -1.15 0.02 0.00 -0.40 0.00 0.00 41.96 40.28 2k5i s TYR 122 CO 0.08 -0.49 1.00 0.42 -1.57 0.00 0.00 175.55 174.99 2k5i s ILE 123 N 1.76 4.50 -0.32 2.71 -1.09 0.61 -0.11 121.20 129.26 2k5i s ILE 123 Ca 0.05 1.34 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 2k5i s ILE 123 Cb -0.13 -4.40 0.00 0.00 -1.58 0.00 0.00 42.46 36.35 2k5i s ILE 123 CO -0.08 -0.60 0.00 -1.84 -1.23 0.00 0.00 174.94 171.20 2k5i n GLU 124 N 6.97 -2.36 -0.03 2.79 0.28 -0.06 0.01 120.64 128.23 2k5i n GLU 124 Ca 0.09 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 2k5i n GLU 124 Cb 0.48 -4.60 0.00 0.00 1.43 0.00 0.00 31.44 28.75 2k5i n GLU 124 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k5i n GLY 125 N -0.46 1.48 3.09 -1.84 0.00 -1.26 -5.11 105.19 101.09 2k5i n GLY 125 Ca -0.04 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.54 2.20 0.24 1.61 0.52 0.10 -5.06 118.95 118.02 2k5i s ARG 126 Ca 0.00 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.33 2k5i s ARG 126 Cb 0.00 -1.74 -0.10 0.00 0.52 0.00 0.00 34.95 33.62 2k5i s ARG 126 CO 0.00 0.07 1.49 -2.00 0.02 0.00 0.00 175.30 174.89 2k5i s GLU 127 N 0.57 4.23 -0.07 3.54 2.12 -1.26 -0.28 118.70 127.55 2k5i s GLU 127 Ca -0.16 2.37 0.05 0.00 0.36 0.00 0.00 54.97 57.59 2k5i s GLU 127 Cb -0.17 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.11 2k5i s GLU 127 CO 0.05 -0.49 -0.21 0.42 -0.54 0.00 0.00 175.26 174.49 2k5i s ILE 128 N 0.18 2.39 -1.60 -3.70 -1.09 -0.92 -4.89 121.20 111.57 2k5i s ILE 128 Ca 0.62 -0.94 -0.10 0.00 -2.23 0.00 0.00 60.65 57.99 2k5i s ILE 128 Cb -0.43 -1.90 -0.08 0.00 -1.58 0.00 0.00 42.46 38.46 2k5i s ILE 128 CO 0.42 0.57 2.92 0.47 -1.23 0.00 0.00 174.94 178.09 2k5i n ASP 129 N 2.91 8.51 -4.47 3.58 9.92 -1.26 -4.80 116.55 130.93 2k5i n ASP 129 Ca -0.17 -2.57 -0.43 0.00 -0.53 0.00 0.00 54.79 51.08 2k5i n ASP 129 Cb 0.52 -1.55 -0.06 0.00 -0.64 0.00 0.00 41.12 39.39 2k5i n ASP 129 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2k5i s LEU 130 N 0.24 4.69 0.00 0.64 1.43 -1.26 -5.01 118.68 119.41 2k5i s LEU 130 Ca 0.68 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2k5i s LEU 130 Cb 0.18 -2.57 0.09 0.00 0.03 0.00 0.00 46.19 43.91 2k5i s LEU 130 CO -0.06 -0.97 0.55 0.61 0.23 0.00 0.00 176.35 176.71 2k5i n GLY 131 N 5.14 -0.39 0.15 -3.19 0.00 -1.26 -4.74 105.19 100.90 2k5i n GLY 131 Ca -0.04 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.96 -0.25 -0.74 1.61 3.20 -1.98 0.12 116.97 117.97 2k5i h TYR 132 Ca -0.18 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.72 2k5i h TYR 132 Cb 0.56 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 2k5i h TYR 132 CO 0.00 -0.15 0.49 0.78 -1.64 0.00 0.00 178.16 177.64 2k5i h GLY 133 N -0.13 1.05 0.81 1.82 0.00 -2.00 -2.82 103.07 101.81 2k5i h GLY 133 Ca 0.07 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 2k5i h GLY 133 CO -0.16 0.37 -0.36 0.83 0.00 0.00 0.00 176.54 177.22 2k5i h GLU 134 N 0.99 0.46 -0.25 4.80 3.07 -1.88 -3.28 114.58 118.49 2k5i h GLU 134 Ca 0.28 -0.33 0.06 0.00 -0.50 0.00 0.00 59.36 58.87 2k5i h GLU 134 Cb -0.09 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 2k5i h GLU 134 CO -0.07 0.95 0.18 0.00 -1.40 0.00 0.00 179.01 178.67 2k5i h ALA 135 N 0.52 2.17 -0.01 3.43 0.00 -0.61 0.17 119.26 124.93 2k5i h ALA 135 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k5i h ALA 135 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k5i h ALA 135 CO 0.08 -0.23 -0.05 -2.37 0.00 0.00 0.00 179.25 176.68 2k5i n THR 136 N -4.47 0.00 0.00 0.00 5.66 -1.08 -0.87 114.28 113.52 2k5i n THR 136 Ca 0.03 -0.12 0.05 0.00 -3.05 0.00 0.00 64.05 60.96 2k5i n THR 136 Cb 0.29 0.03 -0.08 0.00 -1.55 0.00 0.00 70.33 69.03 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 -0.54 0.36 -2.92 1.09 5.02 0.52 -4.84 118.16 116.85 2k5i n LYS 137 Ca 0.19 -0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 2k5i n LYS 137 Cb 0.26 -1.23 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.67 4.78 -0.18 -0.18 1.09 -0.71 -1.93 121.20 121.40 2k5i s ILE 138 Ca -0.03 1.24 -0.14 0.00 -1.10 0.00 0.00 60.65 60.62 2k5i s ILE 138 Cb 0.06 -4.16 -0.05 0.00 -1.06 0.00 0.00 42.46 37.26 2k5i s ILE 138 CO 0.41 -0.25 0.29 0.26 -0.10 0.00 0.00 174.94 175.54 2k5i s TRP 139 N 2.99 3.43 0.23 3.97 0.52 -0.91 0.24 118.94 129.40 2k5i s TRP 139 Ca 0.33 0.55 0.07 0.00 0.02 0.00 0.00 56.10 57.07 2k5i s TRP 139 Cb -0.14 -2.35 -0.05 0.00 -1.15 0.00 0.00 33.47 29.78 2k5i s TRP 139 CO 0.12 0.18 -0.10 0.14 0.02 0.00 0.00 176.95 177.31 2k5i s VAL 140 N 0.66 1.62 -0.00 4.03 -7.23 -0.13 -1.17 120.40 118.16 2k5i s VAL 140 Ca 0.15 -2.16 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 2k5i s VAL 140 Cb -0.13 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 2k5i s VAL 140 CO 0.04 -0.50 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.07 2k5i s ARG 141 N -3.69 1.05 0.06 4.82 0.52 0.36 -3.15 118.95 118.92 2k5i s ARG 141 Ca 0.25 -0.51 -0.31 0.00 -0.52 0.00 0.00 55.73 54.64 2k5i s ARG 141 Cb 0.01 -1.02 -0.07 0.00 0.52 0.00 0.00 34.95 34.38 2k5i s ARG 141 CO 0.08 0.28 1.51 0.50 0.02 0.00 0.00 175.30 177.69 2k5i s ARG 142 N -0.41 4.25 0.43 3.54 6.06 -1.26 -0.52 118.95 131.04 2k5i s ARG 142 Ca 0.05 2.16 0.02 0.00 -2.50 0.00 0.00 55.73 55.45 2k5i s ARG 142 Cb -0.05 -3.49 -0.01 0.00 0.06 0.00 0.00 34.95 31.46 2k5i s ARG 142 CO -0.00 -0.61 0.06 1.33 -2.50 0.00 0.00 175.30 173.57 2k5i n VAL 143 N 4.51 0.00 -0.00 7.11 0.24 -0.34 -4.91 118.33 124.94 2k5i n VAL 143 Ca 0.14 -2.22 0.00 0.00 -2.04 0.00 0.00 64.34 60.23 2k5i n VAL 143 Cb 0.42 0.60 0.01 0.00 -1.47 0.00 0.00 33.84 33.40 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 -1.41 1.91 -4.48 -1.34 2.88 -1.26 -4.59 113.62 105.34 2k5i n SER 144 Ca -0.13 -1.85 -0.31 0.00 -1.33 0.00 0.00 58.87 55.24 2k5i n SER 144 Cb 0.58 -0.01 -0.05 0.00 -0.75 0.00 0.00 64.21 63.98 2k5i n SER 144 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k5i n ASP 145 N -0.36 3.23 -4.32 -3.46 8.00 -1.26 -4.88 116.55 113.50 2k5i n ASP 145 Ca 0.01 -2.72 -0.46 0.00 0.71 0.00 0.00 54.79 52.33 2k5i n ASP 145 Cb 0.22 -1.68 -0.05 0.00 -0.02 0.00 0.00 41.12 39.59 2k5i n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k5i s ALA 146 N 9.64 3.61 -0.03 2.24 0.00 -1.26 -4.65 121.76 131.32 2k5i s ALA 146 Ca 0.66 -2.47 -0.00 0.00 0.00 0.00 0.00 51.96 50.14 2k5i s ALA 146 Cb 0.02 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2k5i s ALA 146 CO 0.13 -2.04 0.02 0.41 0.00 0.00 0.00 175.76 174.27 2k5i n GLY 147 N 5.25 -2.12 3.60 0.00 0.00 -1.26 -4.99 105.19 105.67 2k5i n GLY 147 Ca -0.13 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 2k5i n GLY 147 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5i n GLU 148 N -0.15 1.28 -1.99 1.61 1.02 -1.26 -4.98 120.64 116.17 2k5i n GLU 148 Ca 0.00 0.46 -0.29 0.00 -0.02 0.00 0.00 57.16 57.32 2k5i n GLU 148 Cb 0.01 -2.03 0.07 0.00 -0.02 0.00 0.00 31.44 29.47 2k5i n GLU 148 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2k5i s GLU 149 N -2.06 2.31 0.37 3.49 -1.05 -1.26 -5.05 118.70 115.44 2k5i s GLU 149 Ca 0.64 0.12 -0.25 0.00 -0.15 0.00 0.00 54.97 55.34 2k5i s GLU 149 Cb -0.54 -2.03 -0.10 0.00 -0.44 0.00 0.00 34.13 31.02 2k5i s GLU 149 CO 0.56 -1.32 1.00 -1.12 0.95 0.00 0.00 175.26 175.33 2k5i s SER 150 N -4.49 7.04 -0.15 0.83 0.01 -1.26 -5.04 113.70 110.63 2k5i s SER 150 Ca 0.60 1.93 -0.15 0.00 1.31 0.00 0.00 55.95 59.64 2k5i s SER 150 Cb -0.11 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2k5i s SER 150 CO 0.49 -0.29 0.35 -1.38 0.41 0.00 0.00 173.24 172.81 2k5i s HIS 151 N -1.68 3.47 0.77 2.43 -3.43 -1.26 -5.08 115.29 110.51 2k5i s HIS 151 Ca 0.55 0.67 -0.12 0.00 -0.80 0.00 0.00 55.06 55.36 2k5i s HIS 151 Cb -0.20 -2.41 0.06 0.00 -1.43 0.00 0.00 32.58 28.61 2k5i s HIS 151 CO 0.25 0.21 1.12 -1.25 -2.00 0.00 0.00 174.74 173.06 2k5i s PRO 152 N 0.56 2.15 0.21 -0.38 0.04 -1.26 -4.97 135.00 131.34 2k5i s PRO 152 Ca 0.19 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 2k5i s PRO 152 Cb -0.14 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 2k5i s PRO 152 CO 0.06 -1.75 1.32 -0.65 0.04 0.00 0.00 177.00 176.02 2k5i s GLN 153 N -4.57 4.38 0.88 4.56 -1.52 -1.26 -5.02 119.66 117.11 2k5i s GLN 153 Ca 0.65 2.09 -0.12 0.00 -1.95 0.00 0.00 55.36 56.03 2k5i s GLN 153 Cb -0.20 -3.18 0.12 0.00 -0.22 0.00 0.00 33.01 29.53 2k5i s GLN 153 CO 0.52 -0.27 1.10 -1.59 -0.25 0.00 0.00 175.29 174.80 2k5i s LYS 154 N -0.20 1.36 -0.27 2.91 -2.85 -1.26 -5.03 119.74 114.40 2k5i s LYS 154 Ca 0.57 0.67 -0.15 0.00 -1.00 0.00 0.00 55.97 56.05 2k5i s LYS 154 Cb -0.37 -1.83 -0.04 0.00 -2.06 0.00 0.00 37.83 33.53 2k5i s LYS 154 CO 0.39 -2.13 0.37 -0.51 0.10 0.00 0.00 175.35 173.58 2k5i s LEU 155 N -6.11 4.05 -0.33 2.77 1.43 -1.26 -5.05 118.68 114.17 2k5i s LEU 155 Ca 0.63 0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 53.76 2k5i s LEU 155 Cb -0.17 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.64 2k5i s LEU 155 CO 0.56 -0.19 0.83 -1.61 0.23 0.00 0.00 176.35 176.18 2k5i s GLU 156 N 2.07 3.90 0.02 1.70 0.41 -1.26 -5.04 118.70 120.50 2k5i s GLU 156 Ca 0.15 0.56 -0.15 0.00 -0.41 0.00 0.00 54.97 55.12 2k5i s GLU 156 Cb -0.16 -3.76 -0.06 0.00 -1.78 0.00 0.00 34.13 28.37 2k5i s GLU 156 CO 0.10 -0.78 0.43 -1.01 -0.49 0.00 0.00 175.26 173.51 2k5i s HIS 157 N 3.14 3.72 0.78 1.61 3.76 -1.26 -5.10 115.29 121.94 2k5i s HIS 157 Ca 0.34 1.01 -0.04 0.00 -0.15 0.00 0.00 55.06 56.22 2k5i s HIS 157 Cb -0.13 -2.30 0.16 0.00 1.11 0.00 0.00 32.58 31.42 2k5i s HIS 157 CO 0.15 0.61 1.07 0.72 -0.85 0.00 0.00 174.74 176.44 2k5i n HIS 158 N 1.65 -3.18 -3.97 1.40 8.25 -1.26 -5.13 115.22 112.98 2k5i n HIS 158 Ca -0.12 -1.62 -0.09 0.00 -0.26 0.00 0.00 57.72 55.62 2k5i n HIS 158 Cb 0.52 -0.79 -0.10 0.00 1.12 0.00 0.00 29.99 30.73 2k5i n HIS 158 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k5i s HIS 159 N -3.26 0.26 -0.01 4.41 -3.43 -1.26 -5.17 115.29 106.83 2k5i s HIS 159 Ca 0.68 -0.55 0.00 0.00 -0.80 0.00 0.00 55.06 54.39 2k5i s HIS 159 Cb -0.03 -0.19 0.02 0.00 -1.43 0.00 0.00 32.58 30.94 2k5i s HIS 159 CO 0.46 -0.26 0.01 -3.38 -2.00 0.00 0.00 174.74 169.57 2k5i s HIS 160 N -2.01 0.04 -0.06 0.38 -3.43 -1.26 -5.15 115.29 103.81 2k5i s HIS 160 Ca -0.11 0.06 -0.04 0.00 -0.80 0.00 0.00 55.06 54.18 2k5i s HIS 160 Cb -0.06 -0.15 0.02 0.00 -1.43 0.00 0.00 32.58 30.97 2k5i s HIS 160 CO -0.03 -0.05 0.14 -1.58 -2.00 0.00 0.00 174.74 171.22 2k5i s HIS 161 N 0.57 -0.15 -2.00 0.38 5.04 -1.26 -5.38 115.29 112.49 2k5i s HIS 161 Ca -0.05 0.41 0.13 0.00 -1.54 0.00 0.00 55.06 54.01 2k5i s HIS 161 Cb -0.07 -0.01 0.76 0.00 0.04 0.00 0.00 32.58 33.30 2k5i s HIS 161 CO -0.02 -0.11 1.19 1.58 -2.34 0.00 0.00 174.74 175.04