#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 3.83 0.00 3.17 1.02 -1.26 -1.18 119.74 125.32 2k5i s LYS 2 Ca 0.00 0.29 0.14 0.00 0.02 0.00 0.00 55.97 56.42 2k5i s LYS 2 Cb 0.00 -3.13 0.86 0.00 -0.52 0.00 0.00 37.83 35.03 2k5i s LYS 2 CO 0.00 0.65 1.28 1.47 -0.92 0.00 0.00 175.35 177.83 2k5i n LEU 3 N 1.49 0.00 0.03 3.17 -0.00 -0.57 -3.29 117.00 117.83 2k5i n LEU 3 Ca -0.12 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.92 2k5i n LEU 3 Cb 0.52 0.00 0.14 0.00 -0.00 0.00 0.00 43.42 44.09 2k5i n LEU 3 CO 0.39 0.00 0.59 -0.24 -0.00 0.00 0.00 177.39 178.13 2k5i n SER 4 N -1.00 0.10 -0.14 1.45 2.88 -1.21 -1.42 113.62 114.29 2k5i n SER 4 Ca 0.11 0.54 0.04 0.00 -1.33 0.00 0.00 58.87 58.23 2k5i n SER 4 Cb 0.05 -0.56 0.05 0.00 -0.75 0.00 0.00 64.21 63.00 2k5i n SER 4 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2k5i n ARG 5 N -1.63 1.23 -2.30 -1.46 1.85 -1.21 -4.97 116.66 108.16 2k5i n ARG 5 Ca 0.00 -1.64 -0.41 0.00 -1.00 0.00 0.00 57.85 54.80 2k5i n ARG 5 Cb 0.03 -1.00 -0.03 0.00 -1.05 0.00 0.00 32.46 30.41 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 -1.33 4.46 0.03 2.89 2.96 -0.50 -4.83 118.68 122.35 2k5i s LEU 6 Ca 0.12 2.39 -0.30 0.00 -0.22 0.00 0.00 54.13 56.12 2k5i s LEU 6 Cb 0.11 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 2k5i s LEU 6 CO 0.01 -0.39 1.10 -0.69 -1.32 0.00 0.00 176.35 175.06 2k5i s VAL 7 N -0.55 4.43 0.04 1.68 1.01 -1.26 -4.89 120.40 120.86 2k5i s VAL 7 Ca 0.51 1.74 -0.32 0.00 0.00 0.00 0.00 61.98 63.91 2k5i s VAL 7 Cb -0.35 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 31.81 2k5i s VAL 7 CO 0.42 0.13 1.87 -0.81 0.00 0.00 0.00 175.10 176.70 2k5i n PRO 8 N 4.00 2.59 0.00 2.72 -0.04 -1.26 -1.71 135.00 141.30 2k5i n PRO 8 Ca 0.08 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 2k5i n PRO 8 Cb 0.48 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 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 4.30 1.51 3.67 0.55 0.00 0.27 -4.97 105.19 110.51 2k5i n GLY 9 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.28 5.17 0.10 1.61 1.01 -0.69 -4.99 120.40 120.33 2k5i s VAL 10 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 2k5i s VAL 10 Cb 0.00 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 2k5i s VAL 10 CO 0.00 0.23 1.06 -2.16 0.00 0.00 0.00 175.10 174.23 2k5i s PRO 11 N 1.42 4.58 0.41 2.72 0.04 -1.26 -3.89 135.00 139.02 2k5i s PRO 11 Ca 0.21 1.61 0.05 0.00 0.04 0.00 0.00 61.00 62.90 2k5i s PRO 11 Cb -0.15 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 2k5i s PRO 11 CO 0.09 0.01 0.17 0.00 0.04 0.00 0.00 177.00 177.31 2k5i s ALA 12 N 0.35 2.80 -0.05 8.56 0.00 0.67 -0.59 121.76 133.50 2k5i s ALA 12 Ca 0.51 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 2k5i s ALA 12 Cb -0.26 0.91 0.03 0.00 0.00 0.00 0.00 23.12 23.80 2k5i s ALA 12 CO 0.31 -0.41 0.11 0.50 0.00 0.00 0.00 175.76 176.27 2k5i s ARG 13 N -3.61 0.07 0.01 0.00 3.52 -0.69 -0.71 118.95 117.54 2k5i s ARG 13 Ca 0.26 0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 55.85 2k5i s ARG 13 Cb 0.02 -0.16 -0.08 0.00 -1.56 0.00 0.00 34.95 33.17 2k5i s ARG 13 CO 0.18 -0.14 1.88 0.42 -0.81 0.00 0.00 175.30 176.82 2k5i s ILE 14 N 0.97 3.17 -0.19 4.11 -1.09 -0.28 -2.26 121.20 125.64 2k5i s ILE 14 Ca -0.08 0.22 -0.15 0.00 -2.23 0.00 0.00 60.65 58.41 2k5i s ILE 14 Cb -0.10 -3.14 -0.07 0.00 -1.58 0.00 0.00 42.46 37.56 2k5i s ILE 14 CO -0.04 -0.02 -0.32 0.29 -1.23 0.00 0.00 174.94 173.62 2k5i n LYS 15 N 7.39 0.50 -3.79 2.79 5.02 0.09 -0.69 118.16 129.48 2k5i n LYS 15 Ca 0.19 0.21 -0.13 0.00 -2.02 0.00 0.00 58.31 56.56 2k5i n LYS 15 Cb 0.41 -1.36 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 2k5i n LYS 15 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2k5i s ARG 16 N -2.69 0.60 -0.29 1.97 1.70 -1.11 -4.67 118.95 114.45 2k5i s ARG 16 Ca -0.30 -0.21 -0.06 0.00 -0.47 0.00 0.00 55.73 54.70 2k5i s ARG 16 Cb 0.07 0.26 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 2k5i s ARG 16 CO 0.41 -0.16 0.06 -0.51 -1.08 0.00 0.00 175.30 174.02 2k5i s LEU 17 N -1.24 3.76 0.44 -1.89 1.02 -1.26 -1.03 118.68 118.48 2k5i s LEU 17 Ca -0.13 -0.73 0.28 0.00 0.02 0.00 0.00 54.13 53.57 2k5i s LEU 17 Cb -0.06 -1.85 0.94 0.00 0.02 0.00 0.00 46.19 45.25 2k5i s LEU 17 CO 0.03 -0.18 1.81 -0.33 0.02 0.00 0.00 176.35 177.70 2k5i h GLU 18 N 8.20 0.00 -6.04 1.70 4.39 -0.51 -3.46 114.58 118.85 2k5i h GLU 18 Ca -0.31 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 58.78 2k5i h GLU 18 Cb 1.12 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.72 2k5i h GLU 18 CO 0.60 0.00 -0.24 0.54 -1.16 0.00 0.00 179.01 178.75 2k5i s VAL 19 N -3.42 5.08 0.21 3.13 0.11 -1.23 -5.07 120.40 119.21 2k5i s VAL 19 Ca 0.04 0.62 0.08 0.00 -2.93 0.00 0.00 61.98 59.79 2k5i s VAL 19 Cb 0.08 -3.66 -0.05 0.00 -1.53 0.00 0.00 36.38 31.22 2k5i s VAL 19 CO 0.57 0.44 -0.15 -0.44 -3.33 0.00 0.00 175.10 172.19 2k5i s SER 20 N -1.41 2.66 0.00 3.54 0.01 -1.26 -4.73 113.70 112.50 2k5i s SER 20 Ca 0.28 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.52 2k5i s SER 20 Cb -0.15 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.93 2k5i s SER 20 CO 0.15 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2k5i n GLY 21 N -0.40 0.71 0.09 3.44 0.00 -1.26 -4.65 105.19 103.12 2k5i n GLY 21 Ca -0.08 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 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 0.18 -0.63 1.61 3.07 -2.03 -3.18 114.58 113.60 2k5i h GLU 22 Ca 0.00 -0.05 0.16 0.00 -0.50 0.00 0.00 59.36 58.97 2k5i h GLU 22 Cb 0.00 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 2k5i h GLU 22 CO 0.00 0.40 0.44 1.25 -1.40 0.00 0.00 179.01 179.70 2k5i h LEU 23 N -0.06 0.13 -0.43 1.33 5.85 -1.96 -2.52 115.31 117.64 2k5i h LEU 23 Ca 0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2k5i h LEU 23 Cb 0.31 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2k5i h LEU 23 CO 0.00 0.07 0.29 -0.74 -0.34 0.00 0.00 178.44 177.72 2k5i h HIS 24 N 0.14 0.55 0.00 1.25 2.76 -1.84 0.34 115.15 118.34 2k5i h HIS 24 Ca 0.30 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.45 2k5i h HIS 24 Cb 1.00 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 2k5i h HIS 24 CO -0.00 0.35 -0.17 1.05 -1.30 0.00 0.00 177.93 177.85 2k5i h GLU 25 N 0.59 0.00 -0.04 5.26 -0.00 -1.62 -1.95 114.58 116.82 2k5i h GLU 25 Ca 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.47 2k5i h GLU 25 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.69 2k5i h GLU 25 CO -0.03 0.17 -0.16 -0.22 -0.00 0.00 0.00 179.01 178.77 2k5i h LYS 26 N 0.00 0.19 0.41 1.06 3.64 -1.39 -2.92 116.57 117.56 2k5i h LYS 26 Ca -0.00 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2k5i h LYS 26 Cb 0.72 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2k5i h LYS 26 CO 0.02 0.78 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.65 2k5i h LEU 27 N -0.37 -0.68 -1.82 5.20 3.38 -0.73 -1.33 115.31 118.97 2k5i h LEU 27 Ca -0.01 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2k5i h LEU 27 Cb 0.80 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2k5i h LEU 27 CO 0.03 -0.42 0.15 -0.37 0.09 0.00 0.00 178.44 177.93 2k5i h VAL 28 N -0.65 1.01 -0.56 1.22 -1.51 -1.49 0.16 116.25 114.43 2k5i h VAL 28 Ca -0.04 -0.08 -0.09 0.00 -1.23 0.00 0.00 66.70 65.26 2k5i h VAL 28 Cb 0.54 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 30.44 2k5i h VAL 28 CO 0.03 0.04 0.00 1.23 -1.23 0.00 0.00 177.57 177.65 2k5i h GLY 29 N 0.24 1.06 2.00 5.19 0.00 -1.26 -3.02 103.07 107.28 2k5i h GLY 29 Ca 0.09 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 2k5i h GLY 29 CO -0.02 0.72 -0.10 -0.33 0.00 0.00 0.00 176.54 176.81 2k5i h MET 30 N 0.87 0.00 0.00 4.80 2.86 -0.09 -3.47 114.93 119.89 2k5i h MET 30 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2k5i h MET 30 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2k5i h MET 30 CO 0.03 0.10 0.00 0.41 1.06 0.00 0.00 176.91 178.51 2k5i n GLY 31 N 0.97 0.73 3.58 8.32 0.00 0.25 -4.95 105.19 114.08 2k5i n GLY 31 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.64 2.38 0.03 1.61 0.40 0.30 -4.91 117.98 116.16 2k5i s PHE 32 Ca 0.00 -0.62 0.06 0.00 -0.60 0.00 0.00 56.93 55.77 2k5i s PHE 32 Cb 0.00 -4.40 -0.02 0.00 0.51 0.00 0.00 43.02 39.11 2k5i s PHE 32 CO 0.00 -1.52 -0.17 0.14 0.70 0.00 0.00 175.22 174.36 2k5i s VAL 33 N 7.47 1.39 -0.05 -0.44 -7.23 -1.26 -3.99 120.40 116.29 2k5i s VAL 33 Ca 0.61 -1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 59.46 2k5i s VAL 33 Cb 0.02 -1.22 -0.07 0.00 0.56 0.00 0.00 36.38 35.67 2k5i s VAL 33 CO 0.10 0.17 1.99 -2.16 -0.31 0.00 0.00 175.10 174.88 2k5i s PRO 34 N -1.01 3.86 0.00 4.82 0.04 -1.26 -2.84 135.00 138.62 2k5i s PRO 34 Ca 0.05 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2k5i s PRO 34 Cb -0.08 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2k5i s PRO 34 CO 0.01 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.19 2k5i n GLY 35 N 4.84 1.58 3.87 0.56 0.00 0.13 -4.99 105.19 111.18 2k5i n GLY 35 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 3.79 0.32 1.61 0.41 -1.13 -4.87 118.70 118.82 2k5i s GLU 36 Ca 0.00 0.21 -0.27 0.00 -0.41 0.00 0.00 54.97 54.50 2k5i s GLU 36 Cb 0.00 -2.90 -0.09 0.00 -1.78 0.00 0.00 34.13 29.35 2k5i s GLU 36 CO 0.00 0.49 1.07 -1.21 -0.49 0.00 0.00 175.26 175.12 2k5i s GLU 37 N -2.18 4.49 -0.13 1.61 8.01 -1.26 -1.13 118.70 128.10 2k5i s GLU 37 Ca 0.37 1.67 -0.08 0.00 0.01 0.00 0.00 54.97 56.94 2k5i s GLU 37 Cb -0.13 -2.96 0.05 0.00 -4.31 0.00 0.00 34.13 26.77 2k5i s GLU 37 CO 0.20 0.11 0.32 -1.50 0.01 0.00 0.00 175.26 174.40 2k5i s ILE 38 N -1.35 -0.02 -0.03 -1.63 2.07 0.11 -2.64 121.20 117.72 2k5i s ILE 38 Ca 0.49 0.09 0.02 0.00 -1.41 0.00 0.00 60.65 59.83 2k5i s ILE 38 Cb -0.28 -0.47 0.01 0.00 0.13 0.00 0.00 42.46 41.85 2k5i s ILE 38 CO 0.35 0.04 -0.06 -1.83 -1.91 0.00 0.00 174.94 171.53 2k5i s GLU 39 N 0.99 0.73 0.19 3.50 -1.05 -0.92 -0.24 118.70 121.89 2k5i s GLU 39 Ca -0.07 -0.18 -0.30 0.00 -0.15 0.00 0.00 54.97 54.28 2k5i s GLU 39 Cb -0.07 -0.72 -0.08 0.00 -0.44 0.00 0.00 34.13 32.81 2k5i s GLU 39 CO -0.07 0.03 1.28 0.42 0.95 0.00 0.00 175.26 177.86 2k5i s ILE 40 N 0.43 3.34 -0.21 1.83 -1.09 -1.25 -0.08 121.20 124.16 2k5i s ILE 40 Ca -0.06 1.09 -0.17 0.00 -2.23 0.00 0.00 60.65 59.29 2k5i s ILE 40 Cb -0.09 -3.70 -0.13 0.00 -1.58 0.00 0.00 42.46 36.96 2k5i s ILE 40 CO 0.00 0.16 -0.06 0.52 -1.23 0.00 0.00 174.94 174.33 2k5i n VAL 41 N 2.71 1.50 -3.59 2.92 0.31 0.58 -0.57 118.33 122.20 2k5i n VAL 41 Ca 0.06 -0.04 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 2k5i n VAL 41 Cb 0.43 -2.11 -0.04 0.00 -0.91 0.00 0.00 33.84 31.21 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 -2.43 1.11 -0.02 5.55 -2.07 -1.21 -4.55 119.66 116.05 2k5i s GLN 42 Ca -0.28 -0.64 0.06 0.00 -1.82 0.00 0.00 55.36 52.68 2k5i s GLN 42 Cb 0.07 0.50 -0.02 0.00 -1.09 0.00 0.00 33.01 32.46 2k5i s GLN 42 CO 0.47 -0.45 -0.21 0.08 -1.32 0.00 0.00 175.29 173.86 2k5i s VAL 43 N -3.76 2.50 0.58 3.63 1.01 -1.26 -1.22 120.40 121.89 2k5i s VAL 43 Ca 0.02 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 2k5i s VAL 43 Cb 0.01 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2k5i s VAL 43 CO -0.12 0.54 1.18 0.00 0.00 0.00 0.00 175.10 176.69 2k5i s ALA 44 N -0.71 2.58 -1.50 5.51 0.00 -0.29 -4.88 121.76 122.47 2k5i s ALA 44 Ca 0.11 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2k5i s ALA 44 Cb -0.10 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2k5i s ALA 44 CO 0.01 -1.06 0.25 -0.35 0.00 0.00 0.00 175.76 174.60 2k5i n PRO 45 N -1.57 0.33 0.00 0.00 -0.04 -1.26 -1.03 135.00 131.43 2k5i n PRO 45 Ca 0.13 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.61 2k5i n PRO 45 Cb 0.50 -1.08 0.01 0.00 -0.04 0.00 0.00 33.50 32.89 2k5i n PRO 45 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k5i n LEU 46 N -0.09 1.02 0.00 1.53 4.32 -1.25 -4.05 117.00 118.48 2k5i n LEU 46 Ca 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 56.01 55.12 2k5i n LEU 46 Cb 0.04 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 2k5i n LEU 46 CO 0.00 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.00 2k5i n GLY 47 N 0.45 0.95 3.53 -0.72 0.00 -0.20 -2.08 105.19 107.12 2k5i n GLY 47 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 2k5i n GLY 47 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k5i s ASP 48 N -2.70 -0.56 1.09 1.61 -4.77 -1.25 -4.78 116.67 105.30 2k5i s ASP 48 Ca 0.00 0.55 -0.16 0.00 -3.30 0.00 0.00 52.55 49.65 2k5i s ASP 48 Cb 0.00 0.47 0.22 0.00 -1.09 0.00 0.00 42.92 42.52 2k5i s ASP 48 CO 0.00 -0.56 1.08 -2.65 0.70 0.00 0.00 175.17 173.74 2k5i n PRO 49 N 0.73 -1.83 -5.19 2.11 -0.02 -1.26 -4.59 135.00 124.94 2k5i n PRO 49 Ca -0.16 -1.68 -0.32 0.00 -2.02 0.00 0.00 63.50 59.32 2k5i n PRO 49 Cb 0.58 -1.29 -0.15 0.00 -0.02 0.00 0.00 33.50 32.62 2k5i n PRO 49 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2k5i s ILE 50 N -3.21 2.30 -0.17 4.25 -0.00 0.90 -1.14 121.20 124.13 2k5i s ILE 50 Ca 0.64 -1.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.20 2k5i s ILE 50 Cb -0.03 -1.83 -0.05 0.00 -0.00 0.00 0.00 42.46 40.55 2k5i s ILE 50 CO 0.47 0.58 0.13 -0.69 -0.00 0.00 0.00 174.94 175.43 2k5i s VAL 51 N -0.51 5.44 0.01 8.37 1.01 -0.36 -0.87 120.40 133.50 2k5i s VAL 51 Ca 0.07 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.26 2k5i s VAL 51 Cb -0.11 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2k5i s VAL 51 CO 0.01 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.55 2k5i s LYS 53 N -0.64 3.30 -0.42 0.00 1.02 0.89 -0.33 119.74 123.55 2k5i s LYS 53 Ca -0.01 -0.37 -0.19 0.00 0.02 0.00 0.00 55.97 55.42 2k5i s LYS 53 Cb -0.05 -4.01 0.02 0.00 -0.52 0.00 0.00 37.83 33.27 2k5i s LYS 53 CO 0.00 -1.24 0.53 0.42 -0.92 0.00 0.00 175.35 174.14 2k5i s ILE 54 N 3.28 4.97 0.00 2.17 1.01 -0.15 -2.16 121.20 130.32 2k5i s ILE 54 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2k5i s ILE 54 Cb -0.14 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.23 2k5i s ILE 54 CO 0.19 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.27 2k5i n GLY 55 N 5.04 0.42 2.69 6.18 0.00 -1.08 -2.27 105.19 116.16 2k5i n GLY 55 Ca -0.05 0.63 -0.08 0.00 0.00 0.00 0.00 46.02 46.53 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 3.25 0.91 -3.69 1.61 3.02 -1.26 -5.05 115.26 114.05 2k5i n ASN 56 Ca 0.00 -2.58 -0.11 0.00 -0.03 0.00 0.00 54.58 51.85 2k5i n ASN 56 Cb 0.00 -0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 38.80 2k5i n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k5i s ARG 57 N -2.65 0.52 -0.40 3.52 1.70 -0.96 -5.14 118.95 115.54 2k5i s ARG 57 Ca 0.26 0.79 -0.22 0.00 -0.47 0.00 0.00 55.73 56.09 2k5i s ARG 57 Cb 0.44 0.14 0.02 0.00 -0.57 0.00 0.00 34.95 34.97 2k5i s ARG 57 CO 0.01 -0.11 0.74 -0.80 -1.08 0.00 0.00 175.30 174.05 2k5i s ASN 58 N 0.89 6.45 -0.15 -2.89 -0.87 -1.26 -0.98 114.94 116.13 2k5i s ASN 58 Ca -0.05 0.07 -0.06 0.00 -1.57 0.00 0.00 52.86 51.25 2k5i s ASN 58 Cb -0.06 -2.37 -0.04 0.00 -0.02 0.00 0.00 41.25 38.77 2k5i s ASN 58 CO -0.07 -0.77 0.07 -0.63 -2.57 0.00 0.00 177.10 173.13 2k5i s ILE 59 N 3.06 4.91 -0.42 0.60 -1.09 0.55 -4.89 121.20 123.92 2k5i s ILE 59 Ca 0.28 -0.00 -0.25 0.00 -2.23 0.00 0.00 60.65 58.45 2k5i s ILE 59 Cb -0.13 -3.17 0.02 0.00 -1.58 0.00 0.00 42.46 37.60 2k5i s ILE 59 CO 0.19 0.53 0.89 -0.89 -1.23 0.00 0.00 174.94 174.43 2k5i s THR 60 N -0.28 4.56 -0.08 2.92 2.01 -1.26 -1.49 115.64 122.02 2k5i s THR 60 Ca 0.09 0.87 0.04 0.00 0.31 0.00 0.00 61.69 62.99 2k5i s THR 60 Cb -0.12 -4.36 0.00 0.00 0.01 0.00 0.00 72.50 68.03 2k5i s THR 60 CO 0.01 -0.68 -0.21 -0.22 -0.69 0.00 0.00 174.62 172.84 2k5i s LEU 61 N 3.53 1.96 0.73 4.42 1.98 -0.05 -4.99 118.68 126.28 2k5i s LEU 61 Ca 0.36 -0.47 -0.12 0.00 -2.89 0.00 0.00 54.13 51.02 2k5i s LEU 61 Cb -0.11 -1.22 0.03 0.00 0.66 0.00 0.00 46.19 45.55 2k5i s LEU 61 CO 0.22 0.14 1.11 -0.13 -1.89 0.00 0.00 176.35 175.81 2k5i s ARG 62 N 0.29 2.61 0.08 1.98 0.52 -1.26 -0.07 118.95 123.10 2k5i s ARG 62 Ca -0.14 0.41 -0.20 0.00 -0.52 0.00 0.00 55.73 55.29 2k5i s ARG 62 Cb -0.16 -2.00 -0.10 0.00 0.52 0.00 0.00 34.95 33.21 2k5i s ARG 62 CO 0.06 -1.20 1.53 -0.22 0.02 0.00 0.00 175.30 175.50 2k5i h LYS 63 N -0.77 0.34 -0.02 3.54 3.64 -1.93 -0.99 116.57 120.38 2k5i h LYS 63 Ca -0.45 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2k5i h LYS 63 Cb 1.27 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2k5i h LYS 63 CO 0.64 0.51 0.01 0.07 -2.27 0.00 0.00 179.45 178.41 2k5i h ARG 64 N 0.12 0.00 0.08 1.90 -0.00 -1.98 0.37 114.38 114.87 2k5i h ARG 64 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.04 2k5i h ARG 64 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.31 2k5i h ARG 64 CO 0.01 0.00 -0.04 0.93 -0.00 0.00 0.00 179.97 180.87 2k5i h GLU 65 N 0.00 -0.10 -0.15 0.08 5.08 -1.91 -3.32 114.58 114.26 2k5i h GLU 65 Ca 0.01 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2k5i h GLU 65 Cb 0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2k5i h GLU 65 CO -0.00 0.17 0.20 0.00 -1.00 0.00 0.00 179.01 178.37 2k5i h ALA 66 N -0.74 1.67 0.00 3.43 0.00 -0.92 0.42 119.26 123.13 2k5i h ALA 66 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k5i h ALA 66 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2k5i h ALA 66 CO 0.02 -0.27 0.00 -3.47 0.00 0.00 0.00 179.25 175.53 2k5i n ASP 67 N -3.63 0.00 -0.03 0.00 2.03 0.13 -2.35 116.55 112.69 2k5i n ASP 67 Ca 0.01 0.38 0.02 0.00 0.52 0.00 0.00 54.79 55.72 2k5i n ASP 67 Cb 0.31 -0.42 0.03 0.00 -0.72 0.00 0.00 41.12 40.31 2k5i n ASP 67 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k5i n LEU 68 N -1.42 1.69 -4.07 -2.67 4.77 0.14 -4.88 117.00 110.55 2k5i n LEU 68 Ca 0.02 -1.87 -0.30 0.00 -0.03 0.00 0.00 56.01 53.83 2k5i n LEU 68 Cb 0.07 -0.08 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 2k5i n LEU 68 CO 0.06 0.46 -0.51 -0.63 -1.33 0.00 0.00 177.39 175.44 2k5i s ILE 69 N -1.16 1.68 -0.06 -0.08 1.09 -0.99 0.34 121.20 122.01 2k5i s ILE 69 Ca 0.06 -0.73 -0.04 0.00 -1.10 0.00 0.00 60.65 58.84 2k5i s ILE 69 Cb 0.05 -1.53 -0.04 0.00 -1.06 0.00 0.00 42.46 39.88 2k5i s ILE 69 CO 0.01 0.48 0.15 -0.70 -0.10 0.00 0.00 174.94 174.77 2k5i s GLU 70 N 1.11 3.38 0.32 2.79 2.12 -0.20 -1.51 118.70 126.71 2k5i s GLU 70 Ca -0.03 -0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.09 2k5i s GLU 70 Cb -0.14 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 2k5i s GLU 70 CO -0.05 0.72 0.18 1.33 -0.54 0.00 0.00 175.26 176.90 2k5i n VAL 71 N 1.45 0.00 -4.10 3.70 0.24 -0.32 -0.73 118.33 118.56 2k5i n VAL 71 Ca -0.15 -2.07 -0.12 0.00 -2.04 0.00 0.00 64.34 59.96 2k5i n VAL 71 Cb 0.54 0.89 -0.11 0.00 -1.47 0.00 0.00 33.84 33.68 2k5i n VAL 71 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2k5i s GLU 72 N -3.25 0.65 -0.16 7.34 -1.05 -0.96 -4.35 118.70 116.91 2k5i s GLU 72 Ca 0.26 -0.99 -0.28 0.00 -0.15 0.00 0.00 54.97 53.82 2k5i s GLU 72 Cb 0.01 -0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.44 2k5i s GLU 72 CO 0.18 0.02 0.94 0.08 0.95 0.00 0.00 175.26 177.43 2k5i s VAL 73 N -2.27 4.80 -0.60 1.83 1.01 -1.26 -1.70 120.40 122.20 2k5i s VAL 73 Ca -0.01 1.87 0.24 0.00 0.00 0.00 0.00 61.98 64.07 2k5i s VAL 73 Cb -0.04 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 2k5i s VAL 73 CO -0.02 -0.03 1.22 0.52 0.00 0.00 0.00 175.10 176.79 2k5i n VAL 74 N 4.81 0.32 0.30 2.92 0.31 0.25 -4.22 118.33 123.01 2k5i n VAL 74 Ca 0.08 -0.28 0.16 0.00 -0.01 0.00 0.00 64.34 64.28 2k5i n VAL 74 Cb 0.48 -0.05 0.73 0.00 -0.91 0.00 0.00 33.84 34.10 2k5i n VAL 74 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2k5i h GLY 75 N 4.48 0.00 0.00 2.92 0.00 -1.92 -3.47 103.07 105.09 2k5i h GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k5i h GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2k5i n GLY 76 N -0.54 2.71 2.26 4.60 0.00 -1.26 -5.07 105.19 107.89 2k5i n GLY 76 Ca -0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 2k5i n GLY 76 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k5i n GLU 77 N 0.00 0.86 -3.86 1.61 0.00 -1.26 -5.00 120.64 112.99 2k5i n GLU 77 Ca 0.00 -2.32 -0.12 0.00 0.00 0.00 0.00 57.16 54.72 2k5i n GLU 77 Cb 0.00 1.04 -0.13 0.00 0.00 0.00 0.00 31.44 32.35 2k5i n GLU 77 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 2k5i s LEU 78 N 0.00 1.83 0.70 -1.84 2.34 -0.80 -4.93 118.68 115.97 2k5i s LEU 78 Ca 0.09 0.08 -0.15 0.00 0.06 0.00 0.00 54.13 54.21 2k5i s LEU 78 Cb 0.00 0.17 0.02 0.00 -0.56 0.00 0.00 46.19 45.82 2k5i s LEU 78 CO 0.07 -0.03 1.14 -2.16 -1.06 0.00 0.00 176.35 174.31 2k5i s PRO 79 N -0.03 2.51 0.62 1.48 0.04 -1.26 -0.70 135.00 137.66 2k5i s PRO 79 Ca -0.01 1.49 0.32 0.00 0.04 0.00 0.00 61.00 62.84 2k5i s PRO 79 Cb -0.01 -1.90 1.75 0.00 0.04 0.00 0.00 34.50 34.38 2k5i s PRO 79 CO 0.00 -1.50 2.07 -0.07 0.04 0.00 0.00 177.00 177.54 2k5i h LEU 80 N -0.20 0.00 -1.35 -3.56 3.38 -1.02 0.18 115.31 112.74 2k5i h LEU 80 Ca -0.47 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 2k5i h LEU 80 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2k5i h LEU 80 CO 0.52 0.00 -0.16 -0.29 0.09 0.00 0.00 178.44 178.60 2k5i h ILE 81 N 0.00 1.19 -0.02 1.22 6.09 -1.85 -2.32 117.51 121.82 2k5i h ILE 81 Ca 0.06 -0.86 0.00 0.00 -1.37 0.00 0.00 64.86 62.69 2k5i h ILE 81 Cb 0.54 1.26 0.00 0.00 0.47 0.00 0.00 36.82 39.09 2k5i h ILE 81 CO -0.00 0.27 -0.11 0.18 -3.07 0.00 0.00 178.15 175.42 2k5i n LEU 82 N -4.25 1.78 -4.66 2.19 4.77 0.62 -4.96 117.00 112.50 2k5i n LEU 82 Ca -0.01 -0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 54.97 2k5i n LEU 82 Cb 0.29 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2k5i n LEU 82 CO 0.38 0.31 1.39 0.00 -1.33 0.00 0.00 177.39 178.14 2k5i s ALA 83 N -2.16 3.59 1.01 -1.18 0.00 -0.88 -4.85 121.76 117.29 2k5i s ALA 83 Ca 0.31 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 2k5i s ALA 83 Cb 0.20 -3.76 0.19 0.00 0.00 0.00 0.00 23.12 19.75 2k5i s ALA 83 CO 0.39 -1.45 1.15 0.34 0.00 0.00 0.00 175.76 176.19 2k5i s ASP 84 N 3.52 2.64 -0.10 0.00 2.15 -1.26 -4.90 116.67 118.72 2k5i s ASP 84 Ca 0.75 0.82 -0.30 0.00 0.43 0.00 0.00 52.55 54.26 2k5i s ASP 84 Cb -0.34 -1.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.98 2k5i s ASP 84 CO 0.31 -3.08 1.46 -0.62 -0.17 0.00 0.00 175.17 173.07 2k5i s ASP 85 N -4.01 6.80 0.00 -0.34 -1.08 -1.26 -4.77 116.67 112.01 2k5i s ASP 85 Ca 0.67 1.99 0.00 0.00 -0.52 0.00 0.00 52.55 54.69 2k5i s ASP 85 Cb -0.13 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 2k5i s ASP 85 CO 0.55 -0.84 0.00 0.61 0.52 0.00 0.00 175.17 176.01 2k5i n GLY 86 N 3.86 -1.61 3.69 2.66 0.00 0.15 -4.34 105.19 109.61 2k5i n GLY 86 Ca 0.15 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.62 5.26 0.50 2.61 2.01 -1.26 -0.59 115.64 121.56 2k5i s THR 87 Ca 0.00 0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.60 2k5i s THR 87 Cb 0.00 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 2k5i s THR 87 CO 0.00 0.31 0.11 -0.31 -0.69 0.00 0.00 174.62 174.03 2k5i s TYR 88 N 1.01 1.91 -0.08 4.92 1.51 -0.19 -3.15 117.35 123.27 2k5i s TYR 88 Ca 0.16 -0.88 -0.00 0.00 -1.01 0.00 0.00 57.07 55.34 2k5i s TYR 88 Cb -0.14 -1.72 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 2k5i s TYR 88 CO 0.06 0.08 -0.05 -2.00 -1.11 0.00 0.00 175.55 172.54 2k5i s GLU 89 N -3.96 1.07 -0.03 -0.62 2.12 -0.41 -0.25 118.70 116.62 2k5i s GLU 89 Ca 0.16 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 55.08 2k5i s GLU 89 Cb 0.01 -1.17 -0.05 0.00 0.26 0.00 0.00 34.13 33.18 2k5i s GLU 89 CO 0.09 -0.20 1.48 -1.50 -0.54 0.00 0.00 175.26 174.60 2k5i s ILE 90 N 1.46 3.67 -0.11 -3.70 2.07 -0.50 -0.64 121.20 123.45 2k5i s ILE 90 Ca -0.02 0.97 0.06 0.00 -1.41 0.00 0.00 60.65 60.26 2k5i s ILE 90 Cb -0.13 -3.63 -0.11 0.00 0.13 0.00 0.00 42.46 38.72 2k5i s ILE 90 CO -0.04 -0.04 -0.02 1.07 -1.91 0.00 0.00 174.94 174.01 2k5i n THR 91 N 5.00 0.73 -3.53 4.00 5.66 -0.52 -0.30 114.28 125.31 2k5i n THR 91 Ca 0.15 -0.39 -0.18 0.00 -3.05 0.00 0.00 64.05 60.58 2k5i n THR 91 Cb 0.43 -0.81 -0.06 0.00 -1.55 0.00 0.00 70.33 68.34 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 -2.26 1.04 0.23 1.09 -2.85 -1.18 -4.79 119.74 111.02 2k5i s LYS 92 Ca -0.10 0.22 0.08 0.00 -1.00 0.00 0.00 55.97 55.18 2k5i s LYS 92 Cb 0.04 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.25 2k5i s LYS 92 CO 0.38 -0.33 0.02 -0.51 0.10 0.00 0.00 175.35 175.02 2k5i s LEU 93 N -1.23 3.31 -0.29 2.77 2.01 -1.26 -1.80 118.68 122.19 2k5i s LEU 93 Ca -0.11 -0.51 0.02 0.00 0.01 0.00 0.00 54.13 53.55 2k5i s LEU 93 Cb -0.00 -1.88 0.08 0.00 0.01 0.00 0.00 46.19 44.39 2k5i s LEU 93 CO 0.09 0.03 -0.01 0.20 1.01 0.00 0.00 176.35 177.67 2k5i s ASN 94 N -3.44 4.39 0.00 2.29 0.01 -0.59 -4.99 114.94 112.61 2k5i s ASN 94 Ca 0.30 -1.68 0.00 0.00 -0.71 0.00 0.00 52.86 50.77 2k5i s ASN 94 Cb -0.08 -1.41 0.00 0.00 0.41 0.00 0.00 41.25 40.17 2k5i s ASN 94 CO 0.20 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 2k5i n GLY 95 N 4.46 4.11 0.05 0.66 0.00 -1.26 -4.85 105.19 108.36 2k5i n GLY 95 Ca -0.05 -1.37 -0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.15 4.13 7.00 -0.02 0.00 -1.26 -4.35 105.19 109.55 2k5i n GLY 96 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2k5i n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5i n ARG 97 N -0.02 0.00 0.08 1.61 3.00 -1.26 -1.92 116.66 118.16 2k5i n ARG 97 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 57.82 2k5i n ARG 97 Cb 0.01 0.00 0.24 0.00 0.00 0.00 0.00 32.46 32.71 2k5i n ARG 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k5i h ARG 98 N 0.00 0.29 0.21 5.56 3.08 -1.99 -2.08 114.38 119.45 2k5i h ARG 98 Ca 0.00 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.94 2k5i h ARG 98 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2k5i h ARG 98 CO 0.00 0.60 -0.25 0.35 -1.07 0.00 0.00 179.97 179.60 2k5i h PHE 99 N 0.25 -0.67 -0.69 3.04 3.57 -1.70 -1.14 116.94 119.60 2k5i h PHE 99 Ca 0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2k5i h PHE 99 Cb 0.72 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 2k5i h PHE 99 CO 0.01 -0.36 0.44 -0.07 -2.23 0.00 0.00 178.31 176.10 2k5i h LEU 100 N -0.51 0.80 0.03 0.59 3.38 -1.66 -2.40 115.31 115.54 2k5i h LEU 100 Ca 0.01 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2k5i h LEU 100 Cb 0.49 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2k5i h LEU 100 CO -0.09 0.59 -0.14 0.15 0.09 0.00 0.00 178.44 179.05 2k5i h PHE 101 N 0.93 -0.36 -0.87 1.13 3.57 -1.14 -1.98 116.94 118.21 2k5i h PHE 101 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2k5i h PHE 101 Cb -0.08 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2k5i h PHE 101 CO -0.02 -0.21 0.56 0.00 -2.23 0.00 0.00 178.31 176.41 2k5i h ARG 102 N -0.25 1.16 -0.51 1.11 3.08 -1.08 -2.37 114.38 115.52 2k5i h ARG 102 Ca 0.04 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2k5i h ARG 102 Cb 0.30 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2k5i h ARG 102 CO -0.12 0.78 0.16 0.52 -1.07 0.00 0.00 179.97 180.25 2k5i h MET 103 N 1.19 0.75 0.00 0.04 2.86 -1.18 -1.03 114.93 117.55 2k5i h MET 103 Ca 0.32 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 2k5i h MET 103 Cb -0.11 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.42 2k5i h MET 103 CO -0.07 0.65 -0.16 0.87 1.06 0.00 0.00 176.91 179.26 2k5i h LYS 104 N 0.73 0.00 -0.07 1.72 1.57 -0.87 0.22 116.57 119.88 2k5i h LYS 104 Ca 0.17 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2k5i h LYS 104 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2k5i h LYS 104 CO -0.01 0.16 -0.18 -0.91 -0.57 0.00 0.00 179.45 177.95 2k5i h ASN 105 N 0.00 0.28 0.39 0.86 -0.26 -0.76 -3.30 115.58 112.78 2k5i h ASN 105 Ca -0.00 -0.59 -0.16 0.00 -0.56 0.00 0.00 56.30 54.99 2k5i h ASN 105 Cb 0.58 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 2k5i h ASN 105 CO 0.02 0.82 -0.68 -0.07 -1.06 0.00 0.00 177.43 176.46 2k5i h LEU 106 N -0.25 0.30 0.00 1.61 -0.00 -1.31 -3.48 115.31 112.19 2k5i h LEU 106 Ca -0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2k5i h LEU 106 Cb 0.78 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2k5i h LEU 106 CO 0.04 0.89 0.00 0.61 -0.00 0.00 0.00 178.44 179.98 2k5i n GLY 107 N 0.43 1.89 3.06 0.83 0.00 -0.14 -4.79 105.19 106.47 2k5i n GLY 107 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 2.48 0.00 -0.61 -0.00 -0.12 -4.98 121.20 115.98 2k5i s ILE 108 Ca 0.00 -2.03 0.00 0.00 -0.00 0.00 0.00 60.65 58.62 2k5i s ILE 108 Cb 0.00 -2.68 0.00 0.00 -0.00 0.00 0.00 42.46 39.78 2k5i s ILE 108 CO 0.00 -0.42 0.00 -0.62 -0.00 0.00 0.00 174.94 173.90 2k5i n GLU 109 N 4.39 0.00 -3.72 0.37 1.02 -1.26 -4.24 120.64 117.20 2k5i n GLU 109 Ca -0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.99 2k5i n GLU 109 Cb 0.42 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.73 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 0.56 -0.45 -1.03 1.62 1.04 -1.26 -4.80 113.70 109.38 2k5i s SER 110 Ca 0.00 0.83 -0.04 0.00 0.48 0.00 0.00 55.95 57.22 2k5i s SER 110 Cb 0.00 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.89 2k5i s SER 110 CO 0.00 -0.17 0.88 0.61 0.98 0.00 0.00 173.24 175.55 2k5i n GLY 111 N 3.61 -0.23 3.30 7.32 0.00 0.59 -5.01 105.19 114.77 2k5i n GLY 111 Ca -0.19 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -5.62 2.67 -0.42 1.61 -0.14 -1.25 -4.93 119.74 111.66 2k5i s LYS 112 Ca 0.26 -0.85 -0.28 0.00 -1.36 0.00 0.00 55.97 53.74 2k5i s LYS 112 Cb -0.11 -2.25 0.02 0.00 -1.68 0.00 0.00 37.83 33.81 2k5i s LYS 112 CO 0.58 0.38 1.07 0.15 -0.76 0.00 0.00 175.35 176.78 2k5i s LYS 113 N -0.15 3.81 -0.20 1.68 3.01 -1.26 -1.41 119.74 125.22 2k5i s LYS 113 Ca -0.03 0.66 -0.07 0.00 -1.01 0.00 0.00 55.97 55.51 2k5i s LYS 113 Cb -0.14 -3.85 -0.04 0.00 -1.01 0.00 0.00 37.83 32.80 2k5i s LYS 113 CO 0.04 -1.17 0.07 -1.50 0.51 0.00 0.00 175.35 173.29 2k5i s ILE 114 N 4.02 4.65 -0.51 2.17 2.07 0.66 -4.70 121.20 129.55 2k5i s ILE 114 Ca 0.45 -0.07 -0.27 0.00 -1.41 0.00 0.00 60.65 59.34 2k5i s ILE 114 Cb -0.09 -3.12 0.03 0.00 0.13 0.00 0.00 42.46 39.41 2k5i s ILE 114 CO 0.25 0.42 1.07 -1.10 -1.91 0.00 0.00 174.94 173.67 2k5i s GLN 115 N 0.74 3.56 -0.46 3.50 1.11 0.78 -1.03 119.66 127.86 2k5i s GLN 115 Ca 0.03 0.25 -0.14 0.00 0.01 0.00 0.00 55.36 55.52 2k5i s GLN 115 Cb -0.13 -3.96 0.07 0.00 -1.01 0.00 0.00 33.01 27.98 2k5i s GLN 115 CO 0.02 -1.44 0.36 0.08 0.01 0.00 0.00 175.29 174.32 2k5i s VAL 116 N 4.34 4.96 -0.91 1.09 1.01 0.25 -0.13 120.40 131.00 2k5i s VAL 116 Ca 0.41 -1.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 2k5i s VAL 116 Cb -0.09 -3.98 0.22 0.00 0.00 0.00 0.00 36.38 32.54 2k5i s VAL 116 CO 0.27 -0.56 0.89 -0.44 0.00 0.00 0.00 175.10 175.26 2k5i s SER 117 N 2.48 6.88 0.00 3.32 0.01 0.09 -0.67 113.70 125.81 2k5i s SER 117 Ca 0.04 -2.84 0.00 0.00 1.31 0.00 0.00 55.95 54.46 2k5i s SER 117 Cb -0.24 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2k5i s SER 117 CO 0.05 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2k5i n GLY 118 N 3.84 0.57 0.00 3.44 0.00 -1.26 -1.41 105.19 110.37 2k5i n GLY 118 Ca 0.18 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.87 2k5i n GLY 118 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k5i n ARG 119 N 0.00 1.69 -3.26 1.61 3.00 -1.26 -4.77 116.66 113.67 2k5i n ARG 119 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 2k5i n ARG 119 Cb 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 32.46 31.52 2k5i n ARG 119 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2k5i s ARG 120 N -1.69 3.82 -0.05 -0.14 1.70 -0.50 -5.06 118.95 117.03 2k5i s ARG 120 Ca 0.00 0.02 -0.12 0.00 -0.47 0.00 0.00 55.73 55.16 2k5i s ARG 120 Cb 0.00 -3.74 -0.05 0.00 -0.57 0.00 0.00 34.95 30.59 2k5i s ARG 120 CO 0.00 -0.50 0.30 0.71 -1.08 0.00 0.00 175.30 174.72 2k5i s TYR 121 N 2.33 3.67 -0.01 5.89 2.02 -1.26 -0.73 117.35 129.25 2k5i s TYR 121 Ca 0.19 0.80 0.02 0.00 -0.37 0.00 0.00 57.07 57.70 2k5i s TYR 121 Cb -0.16 -2.15 0.00 0.00 -0.40 0.00 0.00 41.96 39.26 2k5i s TYR 121 CO 0.12 0.68 -0.05 0.71 -1.57 0.00 0.00 175.55 175.43 2k5i s TYR 122 N -1.02 0.55 -0.51 2.71 2.02 0.81 -0.96 117.35 120.95 2k5i s TYR 122 Ca 0.20 -0.11 -0.08 0.00 -0.37 0.00 0.00 57.07 56.71 2k5i s TYR 122 Cb -0.15 -0.41 0.13 0.00 -0.40 0.00 0.00 41.96 41.14 2k5i s TYR 122 CO 0.09 -0.05 0.37 0.42 -1.57 0.00 0.00 175.55 174.81 2k5i s ILE 123 N 0.16 4.12 0.00 2.71 -1.09 0.33 -0.16 121.20 127.28 2k5i s ILE 123 Ca -0.02 -2.04 0.00 0.00 -2.23 0.00 0.00 60.65 56.36 2k5i s ILE 123 Cb -0.06 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 2k5i s ILE 123 CO -0.00 -0.80 0.00 -0.62 -1.23 0.00 0.00 174.94 172.29 2k5i n GLU 124 N 4.60 -1.35 0.00 2.79 1.02 -1.26 -1.81 120.64 124.63 2k5i n GLU 124 Ca -0.03 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2k5i n GLU 124 Cb 0.41 -4.66 0.00 0.00 -0.02 0.00 0.00 31.44 27.17 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 -0.06 1.23 3.67 0.62 0.00 -1.26 -5.11 105.19 104.28 2k5i n GLY 125 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.29 0.33 1.61 3.00 -0.75 -4.98 118.95 122.44 2k5i s ARG 126 Ca 0.00 1.57 -0.28 0.00 0.00 0.00 0.00 55.73 57.02 2k5i s ARG 126 Cb 0.00 -3.67 -0.09 0.00 0.00 0.00 0.00 34.95 31.19 2k5i s ARG 126 CO 0.00 -0.59 1.12 -1.83 0.00 0.00 0.00 175.30 174.00 2k5i s GLU 127 N 2.99 4.43 0.10 3.54 -1.05 -1.26 -0.51 118.70 126.94 2k5i s GLU 127 Ca 0.52 1.80 -0.15 0.00 -0.15 0.00 0.00 54.97 56.99 2k5i s GLU 127 Cb -0.20 -2.98 -0.07 0.00 -0.44 0.00 0.00 34.13 30.44 2k5i s GLU 127 CO 0.15 0.02 0.51 0.42 0.95 0.00 0.00 175.26 177.31 2k5i s ILE 128 N -1.29 4.89 -2.00 1.83 -1.09 -0.13 -4.93 121.20 118.48 2k5i s ILE 128 Ca 0.49 0.86 0.19 0.00 -2.23 0.00 0.00 60.65 59.96 2k5i s ILE 128 Cb -0.31 -3.75 0.53 0.00 -1.58 0.00 0.00 42.46 37.35 2k5i s ILE 128 CO 0.39 0.36 1.51 -0.67 -1.23 0.00 0.00 174.94 175.31 2k5i n ASP 129 N 1.16 0.00 -4.60 3.58 2.03 -1.26 -4.77 116.55 112.69 2k5i n ASP 129 Ca -0.08 -0.58 -0.43 0.00 0.52 0.00 0.00 54.79 54.22 2k5i n ASP 129 Cb 0.52 -0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 2k5i n ASP 129 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k5i s LEU 130 N -2.00 3.57 -0.09 -2.67 1.43 -1.26 -4.90 118.68 112.76 2k5i s LEU 130 Ca 0.28 1.06 -0.06 0.00 -1.03 0.00 0.00 54.13 54.39 2k5i s LEU 130 Cb 0.13 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.80 2k5i s LEU 130 CO 0.22 -1.53 -0.11 1.23 0.23 0.00 0.00 176.35 176.39 2k5i h GLY 131 N 12.76 0.00 0.00 -3.19 0.00 -1.96 -3.47 103.07 107.22 2k5i h GLY 131 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2k5i h GLY 131 CO 1.06 0.00 0.00 2.98 0.00 0.00 0.00 176.54 180.58 2k5i n TYR 132 N -3.73 -2.48 -0.26 5.60 4.19 -1.26 -4.87 117.16 114.36 2k5i n TYR 132 Ca -0.04 0.34 -0.01 0.00 3.31 0.00 0.00 57.90 61.50 2k5i n TYR 132 Cb 0.16 1.19 0.11 0.00 0.49 0.00 0.00 39.34 41.29 2k5i n TYR 132 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 2k5i h GLY 133 N 0.00 1.08 1.85 2.98 0.00 -2.00 -1.64 103.07 105.34 2k5i h GLY 133 Ca 0.00 -0.31 -0.20 0.00 0.00 0.00 0.00 47.33 46.82 2k5i h GLY 133 CO 0.00 0.21 -0.93 0.83 0.00 0.00 0.00 176.54 176.64 2k5i h GLU 134 N 0.80 0.13 -0.59 4.80 5.08 -1.97 -3.34 114.58 119.49 2k5i h GLU 134 Ca 0.32 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 2k5i h GLU 134 Cb 0.16 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2k5i h GLU 134 CO -0.17 0.97 0.39 0.00 -1.00 0.00 0.00 179.01 179.20 2k5i h ALA 135 N 0.97 1.80 0.00 3.43 0.00 -1.64 -1.26 119.26 122.57 2k5i h ALA 135 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k5i h ALA 135 Cb 1.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2k5i h ALA 135 CO 0.14 0.11 0.00 -2.37 0.00 0.00 0.00 179.25 177.12 2k5i n THR 136 N -4.47 0.78 0.63 0.00 5.66 -1.07 -2.59 114.28 113.21 2k5i n THR 136 Ca 0.08 0.20 0.11 0.00 -3.05 0.00 0.00 64.05 61.39 2k5i n THR 136 Cb 0.22 -0.96 0.01 0.00 -1.55 0.00 0.00 70.33 68.05 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 -1.38 0.25 -3.26 1.09 5.02 -0.47 -4.78 118.16 114.62 2k5i n LYS 137 Ca 0.05 -0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 2k5i n LYS 137 Cb 0.14 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.50 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 -3.17 5.02 -0.22 -0.18 1.09 -1.07 -1.54 121.20 121.12 2k5i s ILE 138 Ca 0.04 -0.36 -0.16 0.00 -1.10 0.00 0.00 60.65 59.07 2k5i s ILE 138 Cb 0.15 -4.12 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 2k5i s ILE 138 CO 0.81 -0.53 0.43 0.26 -0.10 0.00 0.00 174.94 175.81 2k5i s TRP 139 N 2.29 3.33 0.31 3.97 0.52 -0.74 -0.89 118.94 127.72 2k5i s TRP 139 Ca 0.14 0.60 0.09 0.00 0.02 0.00 0.00 56.10 56.95 2k5i s TRP 139 Cb -0.17 -2.59 -0.06 0.00 -1.15 0.00 0.00 33.47 29.50 2k5i s TRP 139 CO 0.14 -0.11 -0.11 0.14 0.02 0.00 0.00 176.95 177.02 2k5i s VAL 140 N 1.68 2.13 0.10 4.03 -7.23 0.12 -1.43 120.40 119.79 2k5i s VAL 140 Ca 0.19 -2.23 0.10 0.00 -1.81 0.00 0.00 61.98 58.22 2k5i s VAL 140 Cb -0.15 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 2k5i s VAL 140 CO 0.09 -0.29 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.22 2k5i s ARG 141 N -3.62 1.68 -0.50 4.82 0.52 0.19 -1.90 118.95 120.15 2k5i s ARG 141 Ca 0.31 -1.20 -0.29 0.00 -0.52 0.00 0.00 55.73 54.02 2k5i s ARG 141 Cb 0.01 -2.02 0.03 0.00 0.52 0.00 0.00 34.95 33.49 2k5i s ARG 141 CO 0.14 0.48 1.15 0.50 0.02 0.00 0.00 175.30 177.60 2k5i s ARG 142 N -1.83 3.68 -0.21 3.54 6.06 -1.26 -1.29 118.95 127.64 2k5i s ARG 142 Ca 0.15 0.50 0.14 0.00 -2.50 0.00 0.00 55.73 54.02 2k5i s ARG 142 Cb -0.10 -3.93 -0.23 0.00 0.06 0.00 0.00 34.95 30.74 2k5i s ARG 142 CO 0.06 -1.45 0.04 1.33 -2.50 0.00 0.00 175.30 172.78 2k5i n VAL 143 N 6.83 1.43 -3.26 7.11 0.24 -1.19 -4.99 118.33 124.50 2k5i n VAL 143 Ca 0.11 -0.79 -0.11 0.00 -2.04 0.00 0.00 64.34 61.51 2k5i n VAL 143 Cb 0.49 -0.71 0.03 0.00 -1.47 0.00 0.00 33.84 32.18 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 -2.88 -6.89 0.35 -1.34 2.88 -1.20 -4.95 113.62 99.59 2k5i n SER 144 Ca -0.35 -0.48 -0.17 0.00 -1.33 0.00 0.00 58.87 56.54 2k5i n SER 144 Cb 1.12 -4.80 -0.09 0.00 -0.75 0.00 0.00 64.21 59.69 2k5i n SER 144 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2k5i h ASP 145 N -0.45 -0.73 -3.40 -3.46 3.58 -1.95 -3.42 116.42 106.59 2k5i h ASP 145 Ca -0.35 -0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.50 2k5i h ASP 145 Cb 1.19 0.19 -0.40 0.00 1.72 0.00 0.00 39.33 42.03 2k5i h ASP 145 CO 0.38 -0.46 -0.76 0.00 -2.88 0.00 0.00 179.24 175.52 2k5i s ALA 146 N -5.71 1.89 -1.40 -0.78 0.00 -1.26 -4.87 121.76 109.63 2k5i s ALA 146 Ca -0.17 -1.69 -0.11 0.00 0.00 0.00 0.00 51.96 49.99 2k5i s ALA 146 Cb 0.03 -1.61 0.08 0.00 0.00 0.00 0.00 23.12 21.62 2k5i s ALA 146 CO 0.58 -1.51 0.62 0.41 0.00 0.00 0.00 175.76 175.86 2k5i n GLY 147 N 4.69 -0.49 3.58 0.00 0.00 -1.26 -4.88 105.19 106.83 2k5i n GLY 147 Ca -0.04 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2k5i n GLY 147 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5i s GLU 148 N -6.18 3.73 0.00 1.61 2.12 -1.26 -4.90 118.70 113.82 2k5i s GLU 148 Ca 0.47 0.20 0.19 0.00 0.36 0.00 0.00 54.97 56.19 2k5i s GLU 148 Cb -0.24 -3.81 -0.05 0.00 0.26 0.00 0.00 34.13 30.29 2k5i s GLU 148 CO 0.58 -0.79 0.94 0.39 -0.54 0.00 0.00 175.26 175.84 2k5i n GLU 149 N 6.22 1.34 -1.83 4.30 1.02 -1.26 -4.97 120.64 125.47 2k5i n GLU 149 Ca 0.01 -0.73 -0.01 0.00 -0.02 0.00 0.00 57.16 56.41 2k5i n GLU 149 Cb 0.48 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.52 2k5i n GLU 149 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2k5i n SER 150 N -0.34 -5.02 -4.43 1.62 7.64 -1.26 -5.00 113.62 106.83 2k5i n SER 150 Ca 0.07 0.97 -0.40 0.00 1.01 0.00 0.00 58.87 60.52 2k5i n SER 150 Cb 0.38 -3.34 -0.11 0.00 -1.01 0.00 0.00 64.21 60.13 2k5i n SER 150 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2k5i s HIS 151 N -0.34 3.22 0.20 1.43 -3.43 -1.26 -5.06 115.29 110.05 2k5i s HIS 151 Ca -0.04 -0.66 -0.32 0.00 -0.80 0.00 0.00 55.06 53.25 2k5i s HIS 151 Cb 0.00 -2.43 -0.15 0.00 -1.43 0.00 0.00 32.58 28.57 2k5i s HIS 151 CO 0.10 -0.53 1.16 -2.30 -2.00 0.00 0.00 174.74 171.17 2k5i n PRO 152 N 5.03 1.28 -2.36 -0.38 -0.02 -1.26 -4.31 135.00 132.99 2k5i n PRO 152 Ca -0.13 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 2k5i n PRO 152 Cb 0.48 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 2k5i n PRO 152 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2k5i s GLN 153 N -0.59 4.36 0.60 -0.52 2.00 -1.26 -4.89 119.66 119.35 2k5i s GLN 153 Ca 0.70 1.82 -0.06 0.00 -2.00 0.00 0.00 55.36 55.82 2k5i s GLN 153 Cb -0.80 -3.46 0.13 0.00 0.80 0.00 0.00 33.01 29.68 2k5i s GLN 153 CO 0.53 -0.41 0.81 1.63 -0.50 0.00 0.00 175.29 177.35 2k5i n LYS 154 N 4.67 -0.44 -1.73 1.67 5.02 -1.26 -4.74 118.16 121.35 2k5i n LYS 154 Ca 0.11 -1.62 -0.37 0.00 -2.02 0.00 0.00 58.31 54.40 2k5i n LYS 154 Cb 0.45 -0.72 0.06 0.00 -0.02 0.00 0.00 35.03 34.80 2k5i n LYS 154 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2k5i n LEU 155 N 0.00 5.96 -4.07 -0.35 -0.00 -1.26 -5.04 117.00 112.23 2k5i n LEU 155 Ca 0.11 0.87 -0.10 0.00 -0.00 0.00 0.00 56.01 56.89 2k5i n LEU 155 Cb 0.40 -1.57 -0.07 0.00 -0.00 0.00 0.00 43.42 42.19 2k5i n LEU 155 CO 0.28 -0.87 0.04 -1.61 -0.00 0.00 0.00 177.39 175.22 2k5i s GLU 156 N -3.25 1.44 0.37 1.47 2.02 -1.26 -5.19 118.70 114.30 2k5i s GLU 156 Ca 0.80 -1.39 0.08 0.00 0.02 0.00 0.00 54.97 54.48 2k5i s GLU 156 Cb -0.39 0.40 -0.03 0.00 0.10 0.00 0.00 34.13 34.22 2k5i s GLU 156 CO 0.42 -0.56 0.31 -1.01 0.02 0.00 0.00 175.26 174.45 2k5i s HIS 157 N -4.05 2.79 -0.30 1.61 3.76 -1.26 -5.06 115.29 112.79 2k5i s HIS 157 Ca 0.28 -0.40 -0.15 0.00 -0.15 0.00 0.00 55.06 54.65 2k5i s HIS 157 Cb 0.02 -1.95 0.18 0.00 1.11 0.00 0.00 32.58 31.93 2k5i s HIS 157 CO 0.10 0.06 1.07 -3.38 -0.85 0.00 0.00 174.74 171.75 2k5i s HIS 158 N -2.40 -0.50 -0.20 1.40 -3.43 -1.26 -5.14 115.29 103.76 2k5i s HIS 158 Ca 0.44 0.66 -0.02 0.00 -0.80 0.00 0.00 55.06 55.34 2k5i s HIS 158 Cb -0.04 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 2k5i s HIS 158 CO 0.27 -0.27 -0.10 -1.01 -2.00 0.00 0.00 174.74 171.63 2k5i s HIS 159 N 2.68 2.89 -0.11 0.38 3.76 -1.26 -4.59 115.29 119.04 2k5i s HIS 159 Ca -0.01 -1.20 -0.02 0.00 -0.15 0.00 0.00 55.06 53.69 2k5i s HIS 159 Cb -0.08 -2.03 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 2k5i s HIS 159 CO -0.14 -0.64 -0.04 -1.58 -0.85 0.00 0.00 174.74 171.49 2k5i s HIS 160 N 1.40 3.03 0.16 1.40 2.46 -0.88 -4.87 115.29 117.99 2k5i s HIS 160 Ca 0.05 -0.07 -0.20 0.00 0.47 0.00 0.00 55.06 55.31 2k5i s HIS 160 Cb -0.14 -1.83 -0.08 0.00 -0.13 0.00 0.00 32.58 30.40 2k5i s HIS 160 CO -0.07 0.21 0.67 -1.01 -2.47 0.00 0.00 174.74 172.07 2k5i s HIS 161 N -0.33 3.73 -2.45 3.88 3.76 -1.26 -3.31 115.29 119.30 2k5i s HIS 161 Ca 0.06 1.35 0.28 0.00 -0.15 0.00 0.00 55.06 56.60 2k5i s HIS 161 Cb -0.12 -2.58 1.14 0.00 1.11 0.00 0.00 32.58 32.12 2k5i s HIS 161 CO 0.02 0.45 1.79 -2.39 -0.85 0.00 0.00 174.74 173.76