#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 4.70 0.45 2.12 1.02 -1.26 -0.23 119.74 126.54 2k5i s LYS 2 Ca 0.00 1.36 0.31 0.00 0.02 0.00 0.00 55.97 57.66 2k5i s LYS 2 Cb 0.00 -3.33 1.56 0.00 -0.52 0.00 0.00 37.83 35.54 2k5i s LYS 2 CO 0.00 0.37 1.94 1.37 -0.92 0.00 0.00 175.35 178.11 2k5i h LEU 3 N 4.97 0.00 0.00 3.17 -0.00 -1.71 -2.21 115.31 119.53 2k5i h LEU 3 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 2k5i h LEU 3 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2k5i h LEU 3 CO 0.70 0.00 0.00 -0.24 -0.00 0.00 0.00 178.44 178.90 2k5i n SER 4 N -2.63 0.00 -0.00 0.17 2.88 -1.26 -1.89 113.62 110.89 2k5i n SER 4 Ca -0.01 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2k5i n SER 4 Cb 0.12 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 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 -1.46 2.61 -2.86 -1.46 1.85 -0.83 -5.08 116.66 109.42 2k5i n ARG 5 Ca 0.03 -1.38 -0.32 0.00 -1.00 0.00 0.00 57.85 55.18 2k5i n ARG 5 Cb 0.10 -0.94 -0.05 0.00 -1.05 0.00 0.00 32.46 30.53 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 -0.88 3.88 -0.14 2.89 2.96 -0.79 -4.66 118.68 121.94 2k5i s LEU 6 Ca 0.00 1.33 -0.13 0.00 -0.22 0.00 0.00 54.13 55.11 2k5i s LEU 6 Cb 0.00 -4.19 -0.05 0.00 0.50 0.00 0.00 46.19 42.45 2k5i s LEU 6 CO 0.00 -0.36 0.29 -0.69 -1.32 0.00 0.00 176.35 174.26 2k5i s VAL 7 N -2.26 5.29 0.13 1.68 1.01 -1.26 -5.03 120.40 119.96 2k5i s VAL 7 Ca 0.55 0.54 -0.34 0.00 0.00 0.00 0.00 61.98 62.73 2k5i s VAL 7 Cb -0.10 -3.61 -0.14 0.00 0.00 0.00 0.00 36.38 32.53 2k5i s VAL 7 CO 0.24 0.44 1.59 -2.65 0.00 0.00 0.00 175.10 174.72 2k5i n PRO 8 N 3.18 2.08 0.00 2.72 -0.02 -1.26 -1.94 135.00 139.75 2k5i n PRO 8 Ca -0.13 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2k5i n PRO 8 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 3.43 0.83 3.64 -1.23 0.00 0.45 -4.98 105.19 107.33 2k5i n GLY 9 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.22 4.98 0.09 1.61 1.01 -0.82 -4.98 120.40 120.07 2k5i s VAL 10 Ca 0.00 1.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.89 2k5i s VAL 10 Cb 0.00 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 2k5i s VAL 10 CO 0.00 0.05 1.24 -2.16 0.00 0.00 0.00 175.10 174.23 2k5i s PRO 11 N 2.30 4.41 0.37 2.72 0.04 -1.26 -4.21 135.00 139.37 2k5i s PRO 11 Ca 0.28 1.85 0.06 0.00 0.04 0.00 0.00 61.00 63.23 2k5i s PRO 11 Cb -0.16 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 2k5i s PRO 11 CO 0.09 -0.28 0.21 0.00 0.04 0.00 0.00 177.00 177.06 2k5i s ALA 12 N 0.96 2.37 -0.00 8.56 0.00 0.72 -0.79 121.76 133.58 2k5i s ALA 12 Ca 0.60 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2k5i s ALA 12 Cb -0.32 1.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.95 2k5i s ALA 12 CO 0.30 -0.51 -0.01 0.50 0.00 0.00 0.00 175.76 176.04 2k5i s ARG 13 N -3.57 0.10 0.19 0.00 3.52 0.94 -0.01 118.95 120.11 2k5i s ARG 13 Ca 0.32 -0.05 -0.30 0.00 -0.13 0.00 0.00 55.73 55.57 2k5i s ARG 13 Cb 0.02 -0.09 -0.09 0.00 -1.56 0.00 0.00 34.95 33.23 2k5i s ARG 13 CO 0.21 0.02 1.36 0.42 -0.81 0.00 0.00 175.30 176.51 2k5i s ILE 14 N -0.06 3.10 0.02 4.11 -1.09 0.40 -0.02 121.20 127.66 2k5i s ILE 14 Ca 0.00 0.87 -0.04 0.00 -2.23 0.00 0.00 60.65 59.25 2k5i s ILE 14 Cb -0.01 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 2k5i s ILE 14 CO -0.00 0.11 -0.08 0.29 -1.23 0.00 0.00 174.94 174.03 2k5i n LYS 15 N 2.94 0.12 -4.20 2.79 4.76 0.24 -1.70 118.16 123.11 2k5i n LYS 15 Ca 0.08 0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.45 2k5i n LYS 15 Cb 0.42 -0.71 -0.10 0.00 -1.84 0.00 0.00 35.03 32.80 2k5i n LYS 15 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2k5i s ARG 16 N -2.19 0.96 -0.24 1.97 1.70 -1.22 -4.58 118.95 115.34 2k5i s ARG 16 Ca -0.07 -1.42 -0.04 0.00 -0.47 0.00 0.00 55.73 53.73 2k5i s ARG 16 Cb 0.01 -0.24 0.09 0.00 -0.57 0.00 0.00 34.95 34.24 2k5i s ARG 16 CO 0.10 -0.06 0.15 -0.48 -1.08 0.00 0.00 175.30 173.93 2k5i s LEU 17 N -3.10 0.29 0.04 -1.89 0.05 -1.26 -0.94 118.68 111.87 2k5i s LEU 17 Ca 0.17 -0.87 -0.26 0.00 0.05 0.00 0.00 54.13 53.23 2k5i s LEU 17 Cb 0.05 -0.10 -0.17 0.00 -2.05 0.00 0.00 46.19 43.92 2k5i s LEU 17 CO -0.01 -0.39 1.49 -0.33 -0.55 0.00 0.00 176.35 176.56 2k5i h GLU 18 N 8.38 -0.28 -6.80 1.48 4.39 -1.39 -3.45 114.58 116.92 2k5i h GLU 18 Ca -0.17 0.02 -0.53 0.00 0.34 0.00 0.00 59.36 59.02 2k5i h GLU 18 Cb 1.08 0.06 0.08 0.00 -0.10 0.00 0.00 28.75 29.87 2k5i h GLU 18 CO 0.36 -0.05 0.86 0.54 -1.16 0.00 0.00 179.01 179.56 2k5i s VAL 19 N -5.40 2.16 -0.04 3.13 0.11 -1.26 -5.02 120.40 114.07 2k5i s VAL 19 Ca -0.15 0.13 0.07 0.00 -2.93 0.00 0.00 61.98 59.10 2k5i s VAL 19 Cb 0.04 -3.08 -0.02 0.00 -1.53 0.00 0.00 36.38 31.79 2k5i s VAL 19 CO 0.62 0.02 -0.25 -0.55 -3.33 0.00 0.00 175.10 171.61 2k5i s SER 20 N 0.44 3.08 0.00 3.54 0.15 -1.26 -4.44 113.70 115.21 2k5i s SER 20 Ca 0.62 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2k5i s SER 20 Cb -0.47 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 2k5i s SER 20 CO 0.48 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.81 2k5i n GLY 21 N 2.70 0.13 0.26 9.45 0.00 -1.26 -4.80 105.19 111.67 2k5i n GLY 21 Ca -0.17 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.27 -0.45 1.61 5.08 -2.01 -1.39 114.58 117.14 2k5i h GLU 22 Ca 0.00 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2k5i h GLU 22 Cb 0.00 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2k5i h GLU 22 CO 0.00 -0.18 0.30 1.25 -1.00 0.00 0.00 179.01 179.38 2k5i h LEU 23 N -0.28 0.48 -0.25 1.33 5.85 -1.94 -2.88 115.31 117.62 2k5i h LEU 23 Ca 0.10 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2k5i h LEU 23 Cb 0.44 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2k5i h LEU 23 CO -0.31 0.34 0.07 -0.74 -0.34 0.00 0.00 178.44 177.46 2k5i h HIS 24 N 0.57 0.41 -0.13 1.25 2.76 -1.48 -1.51 115.15 117.03 2k5i h HIS 24 Ca 0.17 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2k5i h HIS 24 Cb 0.01 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 2k5i h HIS 24 CO -0.00 0.48 -0.24 1.05 -1.30 0.00 0.00 177.93 177.92 2k5i h GLU 25 N 0.23 0.23 0.03 5.26 -0.00 -1.26 -1.80 114.58 117.27 2k5i h GLU 25 Ca 0.08 -0.07 -0.23 0.00 -0.00 0.00 0.00 59.36 59.14 2k5i h GLU 25 Cb 0.27 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.00 2k5i h GLU 25 CO -0.00 0.46 -0.99 1.57 -0.00 0.00 0.00 179.01 180.05 2k5i h LYS 26 N 0.21 0.35 0.49 1.06 2.10 -1.48 -2.12 116.57 117.17 2k5i h LYS 26 Ca 0.03 -0.41 -0.02 0.00 -2.00 0.00 0.00 60.65 58.26 2k5i h LYS 26 Cb 0.54 0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2k5i h LYS 26 CO 0.04 1.10 -0.28 -0.07 -2.00 0.00 0.00 179.45 178.24 2k5i h LEU 27 N 0.18 -0.70 -1.08 7.07 3.38 -0.76 0.20 115.31 123.59 2k5i h LEU 27 Ca -0.08 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2k5i h LEU 27 Cb 1.64 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 2k5i h LEU 27 CO 0.17 -0.45 0.13 -0.37 0.09 0.00 0.00 178.44 178.00 2k5i h VAL 28 N -0.73 1.22 0.00 1.22 -1.51 -1.46 0.11 116.25 115.10 2k5i h VAL 28 Ca -0.06 -0.77 -0.04 0.00 -1.23 0.00 0.00 66.70 64.59 2k5i h VAL 28 Cb 0.59 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 2k5i h VAL 28 CO 0.07 0.29 -0.21 1.23 -1.23 0.00 0.00 177.57 177.72 2k5i h GLY 29 N 0.94 0.00 1.62 5.19 0.00 -1.14 -2.48 103.07 107.19 2k5i h GLY 29 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.31 2k5i h GLY 29 CO -0.00 0.00 -1.07 -0.33 0.00 0.00 0.00 176.54 175.13 2k5i h MET 30 N 0.00 0.00 0.00 4.80 2.07 0.15 -3.48 114.93 118.47 2k5i h MET 30 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2k5i h MET 30 Cb 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.17 2k5i h MET 30 CO 0.03 0.63 0.00 0.41 1.07 0.00 0.00 176.91 179.05 2k5i n GLY 31 N 1.36 0.15 3.58 8.32 0.00 -0.18 -4.93 105.19 113.49 2k5i n GLY 31 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.25 2.10 -0.08 1.61 0.08 0.20 -4.85 117.98 116.79 2k5i s PHE 32 Ca 0.00 0.10 0.02 0.00 0.12 0.00 0.00 56.93 57.17 2k5i s PHE 32 Cb 0.00 -4.13 0.01 0.00 -0.57 0.00 0.00 43.02 38.33 2k5i s PHE 32 CO 0.00 -1.30 -0.13 0.14 -0.10 0.00 0.00 175.22 173.82 2k5i s VAL 33 N 9.84 1.26 -0.43 -0.44 -7.23 -1.26 -3.91 120.40 118.22 2k5i s VAL 33 Ca 0.66 -0.54 -0.35 0.00 -1.81 0.00 0.00 61.98 59.95 2k5i s VAL 33 Cb 0.00 -1.15 -0.12 0.00 0.56 0.00 0.00 36.38 35.67 2k5i s VAL 33 CO 0.12 0.38 2.25 -2.65 -0.31 0.00 0.00 175.10 174.90 2k5i n PRO 34 N 3.90 0.91 0.00 4.82 -0.02 -1.26 -1.66 135.00 141.70 2k5i n PRO 34 Ca -0.21 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2k5i n PRO 34 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 6.56 3.42 3.76 -1.23 0.00 -0.69 -4.98 105.19 112.04 2k5i n GLY 35 Ca 0.44 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 3.16 -0.26 1.61 0.41 -0.66 -4.75 118.70 118.21 2k5i s GLU 36 Ca 0.00 1.72 -0.08 0.00 -0.41 0.00 0.00 54.97 56.19 2k5i s GLU 36 Cb 0.00 -1.97 -0.03 0.00 -1.78 0.00 0.00 34.13 30.35 2k5i s GLU 36 CO 0.00 -1.03 0.10 -1.21 -0.49 0.00 0.00 175.26 172.63 2k5i s GLU 37 N -3.32 3.71 0.05 1.61 2.02 -1.26 -0.46 118.70 121.06 2k5i s GLU 37 Ca 0.75 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 55.33 2k5i s GLU 37 Cb -0.27 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 2k5i s GLU 37 CO 0.30 -0.20 -0.02 -1.50 0.02 0.00 0.00 175.26 173.86 2k5i s ILE 38 N 1.65 3.93 -0.02 -1.63 2.07 0.98 -4.45 121.20 123.74 2k5i s ILE 38 Ca 0.06 -0.86 0.01 0.00 -1.41 0.00 0.00 60.65 58.45 2k5i s ILE 38 Cb -0.15 -2.81 0.01 0.00 0.13 0.00 0.00 42.46 39.64 2k5i s ILE 38 CO 0.05 0.24 -0.02 -1.83 -1.91 0.00 0.00 174.94 171.47 2k5i s GLU 39 N -1.92 0.37 -0.08 3.50 -1.05 -1.03 -0.20 118.70 118.28 2k5i s GLU 39 Ca 0.22 -0.05 -0.30 0.00 -0.15 0.00 0.00 54.97 54.69 2k5i s GLU 39 Cb -0.11 -0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 33.13 2k5i s GLU 39 CO 0.14 -0.02 1.03 0.42 0.95 0.00 0.00 175.26 177.78 2k5i s ILE 40 N 0.44 4.71 -0.14 1.83 -1.09 -1.26 -0.57 121.20 125.12 2k5i s ILE 40 Ca -0.04 1.97 -0.09 0.00 -2.23 0.00 0.00 60.65 60.26 2k5i s ILE 40 Cb -0.08 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 2k5i s ILE 40 CO -0.01 0.02 -0.17 0.58 -1.23 0.00 0.00 174.94 174.14 2k5i h VAL 41 N 5.04 0.00 -2.84 2.92 2.07 -0.94 0.13 116.25 122.63 2k5i h VAL 41 Ca -0.33 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.15 2k5i h VAL 41 Cb 1.16 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.76 2k5i h VAL 41 CO 0.85 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 178.40 2k5i s GLN 42 N -2.19 0.96 0.06 1.57 1.03 -1.21 -4.67 119.66 115.22 2k5i s GLN 42 Ca -0.14 -0.25 0.09 0.00 0.04 0.00 0.00 55.36 55.11 2k5i s GLN 42 Cb 0.02 0.44 -0.03 0.00 0.03 0.00 0.00 33.01 33.46 2k5i s GLN 42 CO 0.21 -0.33 -0.26 0.08 -2.54 0.00 0.00 175.29 172.44 2k5i s VAL 43 N -2.28 2.18 0.44 3.63 1.01 -1.26 -1.98 120.40 122.13 2k5i s VAL 43 Ca -0.06 -1.44 -0.22 0.00 0.00 0.00 0.00 61.98 60.25 2k5i s VAL 43 Cb -0.01 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.42 2k5i s VAL 43 CO -0.01 0.33 1.04 0.00 0.00 0.00 0.00 175.10 176.46 2k5i s ALA 44 N -0.85 3.00 0.64 5.51 0.00 -1.12 -4.95 121.76 124.00 2k5i s ALA 44 Ca 0.12 0.65 0.37 0.00 0.00 0.00 0.00 51.96 53.10 2k5i s ALA 44 Cb -0.10 -3.26 2.06 0.00 0.00 0.00 0.00 23.12 21.82 2k5i s ALA 44 CO 0.03 -0.24 2.22 -1.00 0.00 0.00 0.00 175.76 176.77 2k5i h PRO 45 N 2.09 0.00 -0.01 0.00 0.13 -1.93 0.31 132.00 132.59 2k5i h PRO 45 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k5i h PRO 45 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k5i h PRO 45 CO 0.61 0.00 -0.02 1.28 -0.23 0.00 0.00 178.00 179.64 2k5i n LEU 46 N -3.28 0.56 0.00 1.56 4.32 -1.26 -4.90 117.00 113.99 2k5i n LEU 46 Ca -0.02 -0.15 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 2k5i n LEU 46 Cb 0.18 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 2k5i n LEU 46 CO 0.21 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.08 2k5i n GLY 47 N 1.12 2.99 3.21 -0.72 0.00 0.10 -5.00 105.19 106.88 2k5i n GLY 47 Ca 0.20 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 0.86 0.07 0.79 1.61 -4.77 -1.26 -4.66 116.67 109.32 2k5i s ASP 48 Ca 0.00 -0.58 -0.09 0.00 -3.30 0.00 0.00 52.55 48.58 2k5i s ASP 48 Cb 0.00 0.35 0.11 0.00 -1.09 0.00 0.00 42.92 42.29 2k5i s ASP 48 CO 0.00 -0.72 1.12 -2.16 0.70 0.00 0.00 175.17 174.11 2k5i s PRO 49 N -3.68 1.63 -0.05 2.11 0.04 -1.26 -4.68 135.00 129.12 2k5i s PRO 49 Ca 0.03 -0.40 0.04 0.00 0.04 0.00 0.00 61.00 60.72 2k5i s PRO 49 Cb 0.04 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 2k5i s PRO 49 CO -0.10 -1.66 -0.16 0.96 0.04 0.00 0.00 177.00 176.08 2k5i s ILE 50 N -3.46 2.87 -0.21 0.56 -4.36 -0.07 -2.80 121.20 113.73 2k5i s ILE 50 Ca 0.65 -0.79 -0.07 0.00 -0.26 0.00 0.00 60.65 60.18 2k5i s ILE 50 Cb -0.08 -2.11 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 2k5i s ILE 50 CO 0.48 0.59 0.07 -0.69 0.24 0.00 0.00 174.94 175.62 2k5i s VAL 51 N -0.64 4.61 0.02 8.37 1.01 -0.84 -1.13 120.40 131.80 2k5i s VAL 51 Ca 0.10 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2k5i s VAL 51 Cb -0.11 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 2k5i s VAL 51 CO 0.01 0.40 -0.14 0.00 0.00 0.00 0.00 175.10 175.37 2k5i s LYS 53 N -0.87 3.75 -0.06 0.00 1.02 0.27 -0.65 119.74 123.20 2k5i s LYS 53 Ca 0.03 0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.07 2k5i s LYS 53 Cb -0.07 -3.77 -0.00 0.00 -0.52 0.00 0.00 37.83 33.47 2k5i s LYS 53 CO 0.01 -0.60 -0.19 0.42 -0.92 0.00 0.00 175.35 174.07 2k5i s ILE 54 N 2.46 1.60 -1.36 2.17 1.01 -0.43 -2.47 121.20 124.18 2k5i s ILE 54 Ca 0.21 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 2k5i s ILE 54 Cb -0.15 -1.39 0.05 0.00 0.01 0.00 0.00 42.46 40.98 2k5i s ILE 54 CO 0.13 0.46 0.52 0.61 0.00 0.00 0.00 174.94 176.65 2k5i n GLY 55 N 3.32 -0.50 2.49 6.18 0.00 -1.26 -1.07 105.19 114.35 2k5i n GLY 55 Ca -0.19 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.35 -4.60 -4.38 1.61 3.02 -1.26 -5.01 115.26 102.29 2k5i n ASN 56 Ca -0.05 0.09 -0.29 0.00 -0.03 0.00 0.00 54.58 54.31 2k5i n ASN 56 Cb 0.57 -2.42 -0.13 0.00 -0.61 0.00 0.00 39.78 37.18 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 -1.71 1.41 -0.24 3.52 1.70 -0.24 -5.11 118.95 118.28 2k5i s ARG 57 Ca 0.00 -1.31 -0.23 0.00 -0.47 0.00 0.00 55.73 53.71 2k5i s ARG 57 Cb 0.00 -1.86 -0.01 0.00 -0.57 0.00 0.00 34.95 32.51 2k5i s ARG 57 CO 0.00 0.44 0.76 -0.80 -1.08 0.00 0.00 175.30 174.63 2k5i s ASN 58 N -1.98 6.76 -0.07 -2.89 -0.87 -1.26 -1.31 114.94 113.32 2k5i s ASN 58 Ca 0.13 0.94 0.04 0.00 -1.57 0.00 0.00 52.86 52.40 2k5i s ASN 58 Cb -0.10 -2.40 -0.02 0.00 -0.02 0.00 0.00 41.25 38.71 2k5i s ASN 58 CO 0.06 -0.46 -0.18 -0.63 -2.57 0.00 0.00 177.10 173.31 2k5i s ILE 59 N 2.69 2.68 -0.21 0.60 -1.09 0.18 -4.97 121.20 121.07 2k5i s ILE 59 Ca 0.32 -0.84 -0.08 0.00 -2.23 0.00 0.00 60.65 57.83 2k5i s ILE 59 Cb -0.15 -2.04 -0.04 0.00 -1.58 0.00 0.00 42.46 38.65 2k5i s ILE 59 CO 0.08 0.57 0.08 -0.89 -1.23 0.00 0.00 174.94 173.54 2k5i s THR 60 N -0.26 4.67 -0.00 2.92 2.01 -1.26 -0.84 115.64 122.87 2k5i s THR 60 Ca 0.01 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 61.97 2k5i s THR 60 Cb -0.13 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 2k5i s THR 60 CO 0.03 0.40 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.05 2k5i s LEU 61 N 0.90 2.03 0.36 4.42 1.98 -0.28 -4.97 118.68 123.12 2k5i s LEU 61 Ca 0.04 -0.18 -0.25 0.00 -2.89 0.00 0.00 54.13 50.85 2k5i s LEU 61 Cb -0.14 -0.45 -0.10 0.00 0.66 0.00 0.00 46.19 46.16 2k5i s LEU 61 CO 0.03 0.10 0.97 -0.13 -1.89 0.00 0.00 176.35 175.43 2k5i s ARG 62 N -0.29 4.43 0.17 1.98 1.81 -1.26 -0.89 118.95 124.91 2k5i s ARG 62 Ca 0.03 1.34 -0.14 0.00 -1.72 0.00 0.00 55.73 55.25 2k5i s ARG 62 Cb -0.04 -2.65 0.10 0.00 -0.45 0.00 0.00 34.95 31.91 2k5i s ARG 62 CO -0.00 0.13 1.81 -0.22 -0.68 0.00 0.00 175.30 176.34 2k5i h LYS 63 N 2.83 0.56 -0.69 3.54 3.64 -1.95 0.20 116.57 124.71 2k5i h LYS 63 Ca -0.47 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 58.99 2k5i h LYS 63 Cb 1.20 -0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.80 2k5i h LYS 63 CO 0.64 0.37 0.25 0.07 -2.27 0.00 0.00 179.45 178.50 2k5i h ARG 64 N 0.58 0.39 0.00 1.90 0.11 -1.98 -1.25 114.38 114.12 2k5i h ARG 64 Ca 0.20 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.23 2k5i h ARG 64 Cb 0.04 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.03 2k5i h ARG 64 CO -0.10 0.26 -0.15 0.93 0.10 0.00 0.00 179.97 181.00 2k5i h GLU 65 N 0.40 0.00 0.00 0.08 4.39 -1.77 -3.03 114.58 114.65 2k5i h GLU 65 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2k5i h GLU 65 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2k5i h GLU 65 CO -0.38 0.13 0.00 0.00 -1.16 0.00 0.00 179.01 177.60 2k5i h ALA 66 N 1.87 1.00 0.00 3.43 0.00 0.59 0.52 119.26 126.67 2k5i h ALA 66 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k5i h ALA 66 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k5i h ALA 66 CO 0.02 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.02 2k5i n ASP 67 N -2.40 0.06 -0.03 0.00 9.92 -1.02 -3.59 116.55 119.50 2k5i n ASP 67 Ca 0.01 0.51 0.04 0.00 -0.53 0.00 0.00 54.79 54.83 2k5i n ASP 67 Cb 0.22 -0.53 -0.16 0.00 -0.64 0.00 0.00 41.12 40.01 2k5i n ASP 67 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k5i n LEU 68 N -1.56 0.04 -4.86 0.64 4.77 0.17 -4.93 117.00 111.27 2k5i n LEU 68 Ca 0.05 0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.70 2k5i n LEU 68 Cb 0.26 0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 2k5i n LEU 68 CO 0.21 0.15 -0.19 -0.63 -1.33 0.00 0.00 177.39 175.60 2k5i s ILE 69 N -3.19 5.29 -0.08 -0.08 1.09 -1.17 -0.88 121.20 122.18 2k5i s ILE 69 Ca -0.08 -0.02 0.03 0.00 -1.10 0.00 0.00 60.65 59.48 2k5i s ILE 69 Cb 0.11 -3.36 -0.02 0.00 -1.06 0.00 0.00 42.46 38.13 2k5i s ILE 69 CO 0.88 0.50 -0.18 -0.70 -0.10 0.00 0.00 174.94 175.34 2k5i s GLU 70 N -1.38 2.80 0.29 2.79 2.12 -0.12 -3.97 118.70 121.23 2k5i s GLU 70 Ca 0.20 -0.77 0.09 0.00 0.36 0.00 0.00 54.97 54.85 2k5i s GLU 70 Cb -0.12 -2.38 -0.06 0.00 0.26 0.00 0.00 34.13 31.83 2k5i s GLU 70 CO 0.10 0.41 -0.13 0.14 -0.54 0.00 0.00 175.26 175.23 2k5i s VAL 71 N -0.20 2.12 -0.04 3.70 -7.23 0.68 -0.59 120.40 118.84 2k5i s VAL 71 Ca -0.01 -2.26 -0.01 0.00 -1.81 0.00 0.00 61.98 57.89 2k5i s VAL 71 Cb -0.13 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.45 2k5i s VAL 71 CO 0.03 -0.36 0.06 -0.70 -0.31 0.00 0.00 175.10 173.83 2k5i s GLU 72 N -3.61 -0.03 0.10 4.82 2.12 0.98 -3.41 118.70 119.66 2k5i s GLU 72 Ca 0.29 0.30 -0.31 0.00 0.36 0.00 0.00 54.97 55.61 2k5i s GLU 72 Cb -0.00 -0.33 -0.09 0.00 0.26 0.00 0.00 34.13 33.96 2k5i s GLU 72 CO 0.13 -0.23 1.68 0.08 -0.54 0.00 0.00 175.26 176.38 2k5i s VAL 73 N 1.54 2.84 -1.64 3.70 1.01 -1.26 -0.04 120.40 126.56 2k5i s VAL 73 Ca -0.03 0.38 0.23 0.00 0.00 0.00 0.00 61.98 62.56 2k5i s VAL 73 Cb -0.12 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2k5i s VAL 73 CO -0.04 0.00 1.15 0.52 0.00 0.00 0.00 175.10 176.74 2k5i n VAL 74 N 4.59 0.00 -0.84 2.92 0.31 0.03 -4.91 118.33 120.43 2k5i n VAL 74 Ca 0.16 -0.15 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 2k5i n VAL 74 Cb 0.40 0.95 0.10 0.00 -0.91 0.00 0.00 33.84 34.38 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 1.43 -2.39 0.27 2.92 0.00 -1.22 -4.96 105.19 101.25 2k5i n GLY 75 Ca 0.08 -1.50 -0.07 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.35 0.86 -1.39 -0.02 0.00 -1.96 -3.47 103.07 95.74 2k5i h GLY 76 Ca -0.18 -0.68 -0.12 0.00 0.00 0.00 0.00 47.33 46.35 2k5i h GLY 76 CO 0.12 0.62 0.07 -1.83 0.00 0.00 0.00 176.54 175.52 2k5i s GLU 77 N -4.74 2.08 0.01 4.80 1.03 -1.26 -5.02 118.70 115.59 2k5i s GLU 77 Ca -0.09 -1.56 0.01 0.00 0.03 0.00 0.00 54.97 53.36 2k5i s GLU 77 Cb 0.14 0.55 -0.01 0.00 -0.80 0.00 0.00 34.13 34.00 2k5i s GLU 77 CO 0.83 -0.93 -0.05 -0.48 -1.33 0.00 0.00 175.26 173.30 2k5i s LEU 78 N -3.14 2.08 0.88 1.83 2.34 -1.08 -5.00 118.68 116.59 2k5i s LEU 78 Ca 0.22 -0.21 -0.12 0.00 0.06 0.00 0.00 54.13 54.08 2k5i s LEU 78 Cb -0.03 -0.17 0.11 0.00 -0.56 0.00 0.00 46.19 45.54 2k5i s LEU 78 CO 0.15 -0.04 1.06 -0.81 -1.06 0.00 0.00 176.35 175.65 2k5i n PRO 79 N 2.53 -0.20 0.24 1.48 -0.04 -1.26 -0.86 135.00 136.89 2k5i n PRO 79 Ca -0.16 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.38 2k5i n PRO 79 Cb 0.57 -2.32 0.59 0.00 -0.04 0.00 0.00 33.50 32.30 2k5i n PRO 79 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2k5i h LEU 80 N -1.47 0.00 -2.41 1.53 7.12 0.21 0.57 115.31 120.86 2k5i h LEU 80 Ca -0.44 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.57 2k5i h LEU 80 Cb 1.28 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.41 2k5i h LEU 80 CO 0.42 0.10 0.00 -0.29 -0.13 0.00 0.00 178.44 178.54 2k5i h ILE 81 N 0.00 0.00 -0.09 4.05 6.09 -1.36 -0.97 117.51 125.23 2k5i h ILE 81 Ca -0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 2k5i h ILE 81 Cb 0.18 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.64 2k5i h ILE 81 CO 0.01 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.27 2k5i n LEU 82 N -3.06 2.58 -4.76 2.19 4.77 0.19 -5.00 117.00 113.91 2k5i n LEU 82 Ca -0.02 -0.92 -0.41 0.00 -0.03 0.00 0.00 56.01 54.63 2k5i n LEU 82 Cb 0.15 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2k5i n LEU 82 CO 0.22 0.46 1.11 0.00 -1.33 0.00 0.00 177.39 177.86 2k5i s ALA 83 N -1.90 3.60 0.61 -1.18 0.00 -0.37 -4.99 121.76 117.53 2k5i s ALA 83 Ca 0.33 1.43 -0.11 0.00 0.00 0.00 0.00 51.96 53.61 2k5i s ALA 83 Cb 0.20 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2k5i s ALA 83 CO 0.31 -0.86 1.03 0.34 0.00 0.00 0.00 175.76 176.57 2k5i s ASP 84 N 0.04 6.25 -1.17 0.00 2.15 -1.26 -4.96 116.67 117.72 2k5i s ASP 84 Ca 0.56 1.43 -0.22 0.00 0.43 0.00 0.00 52.55 54.75 2k5i s ASP 84 Cb -0.44 -2.47 -0.04 0.00 -0.30 0.00 0.00 42.92 39.67 2k5i s ASP 84 CO 0.52 -0.85 1.86 -1.81 -0.17 0.00 0.00 175.17 174.72 2k5i s ASP 85 N -4.08 5.54 0.00 -0.34 1.11 -1.26 -4.59 116.67 113.05 2k5i s ASP 85 Ca 0.55 -1.71 -0.00 0.00 0.18 0.00 0.00 52.55 51.58 2k5i s ASP 85 Cb -0.11 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.30 2k5i s ASP 85 CO 0.52 -2.51 0.00 0.61 1.18 0.00 0.00 175.17 174.97 2k5i n GLY 86 N 5.91 0.97 3.58 0.21 0.00 -0.85 -4.84 105.19 110.16 2k5i n GLY 86 Ca 0.44 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.36 4.06 0.48 2.61 2.01 -1.26 -1.09 115.64 120.09 2k5i s THR 87 Ca 0.00 0.86 0.08 0.00 0.31 0.00 0.00 61.69 62.94 2k5i s THR 87 Cb -0.00 -4.71 0.08 0.00 0.01 0.00 0.00 72.50 67.88 2k5i s THR 87 CO 0.00 -1.31 0.66 -1.22 -0.69 0.00 0.00 174.62 172.06 2k5i n TYR 88 N 8.33 -2.45 -3.95 4.92 4.02 -0.09 -1.67 117.16 126.28 2k5i n TYR 88 Ca 0.08 -1.71 -0.16 0.00 -0.01 0.00 0.00 57.90 56.10 2k5i n TYR 88 Cb 0.49 -0.45 -0.15 0.00 -0.02 0.00 0.00 39.34 39.20 2k5i n TYR 88 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2k5i s GLU 89 N -4.16 0.24 -0.15 -0.72 2.12 0.10 -0.57 118.70 115.56 2k5i s GLU 89 Ca 0.50 0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.55 2k5i s GLU 89 Cb -0.04 -0.35 -0.02 0.00 0.26 0.00 0.00 34.13 33.97 2k5i s GLU 89 CO 0.32 -0.06 1.35 -1.50 -0.54 0.00 0.00 175.26 174.82 2k5i s ILE 90 N 0.60 4.12 -0.10 -3.70 2.07 -0.26 -1.22 121.20 122.71 2k5i s ILE 90 Ca -0.06 1.35 0.02 0.00 -1.41 0.00 0.00 60.65 60.55 2k5i s ILE 90 Cb -0.09 -3.89 -0.08 0.00 0.13 0.00 0.00 42.46 38.54 2k5i s ILE 90 CO -0.01 -0.14 -0.06 1.07 -1.91 0.00 0.00 174.94 173.88 2k5i n THR 91 N 5.46 0.58 -3.77 4.00 5.66 -0.49 -1.52 114.28 124.21 2k5i n THR 91 Ca 0.15 -0.25 -0.12 0.00 -3.05 0.00 0.00 64.05 60.77 2k5i n THR 91 Cb 0.44 -0.85 -0.08 0.00 -1.55 0.00 0.00 70.33 68.30 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 -2.20 0.74 0.16 1.09 -2.85 -1.09 -4.92 119.74 110.68 2k5i s LYS 92 Ca -0.12 -0.41 0.11 0.00 -1.00 0.00 0.00 55.97 54.55 2k5i s LYS 92 Cb 0.03 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 2k5i s LYS 92 CO 0.26 -0.23 -0.25 -0.51 0.10 0.00 0.00 175.35 174.72 2k5i s LEU 93 N -1.81 2.38 -0.30 2.77 2.01 -1.26 -1.14 118.68 121.33 2k5i s LEU 93 Ca -0.08 -0.81 0.03 0.00 0.01 0.00 0.00 54.13 53.28 2k5i s LEU 93 Cb -0.02 -1.18 0.08 0.00 0.01 0.00 0.00 46.19 45.08 2k5i s LEU 93 CO -0.01 0.14 -0.02 0.20 1.01 0.00 0.00 176.35 177.67 2k5i s ASN 94 N -2.40 4.59 0.00 2.29 0.01 -0.22 -4.99 114.94 114.22 2k5i s ASN 94 Ca 0.17 -1.78 0.00 0.00 -0.71 0.00 0.00 52.86 50.54 2k5i s ASN 94 Cb -0.09 -1.57 0.00 0.00 0.41 0.00 0.00 41.25 40.00 2k5i s ASN 94 CO 0.08 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 175.99 2k5i n GLY 95 N 4.35 -2.16 0.00 0.66 0.00 -1.26 -4.80 105.19 101.98 2k5i n GLY 95 Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.56 0.97 0.37 -0.02 0.00 -1.26 -4.91 105.19 99.77 2k5i n GLY 96 Ca 0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 46.02 44.03 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 1.25 0.00 1.61 0.11 -2.02 -2.29 114.38 113.04 2k5i h ARG 97 Ca 0.00 -0.12 -0.13 0.00 0.10 0.00 0.00 59.98 59.84 2k5i h ARG 97 Cb 0.00 -0.26 -0.02 0.00 1.11 0.00 0.00 29.97 30.80 2k5i h ARG 97 CO 0.00 0.88 -0.61 0.00 0.10 0.00 0.00 179.97 180.34 2k5i h ARG 98 N 1.27 0.00 -0.40 0.08 3.08 -1.99 -2.87 114.38 113.55 2k5i h ARG 98 Ca 0.33 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.39 2k5i h ARG 98 Cb -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2k5i h ARG 98 CO -0.06 0.61 0.26 0.35 -1.07 0.00 0.00 179.97 180.05 2k5i h PHE 99 N 0.00 0.49 -0.95 3.04 3.57 -1.78 0.35 116.94 121.66 2k5i h PHE 99 Ca -0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2k5i h PHE 99 Cb 1.16 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 2k5i h PHE 99 CO 0.00 0.30 0.63 -0.07 -2.23 0.00 0.00 178.31 176.94 2k5i h LEU 100 N 0.53 1.09 -0.03 0.59 3.38 -1.39 -0.55 115.31 118.92 2k5i h LEU 100 Ca 0.15 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2k5i h LEU 100 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2k5i h LEU 100 CO -0.04 0.78 -0.02 0.15 0.09 0.00 0.00 178.44 179.40 2k5i h PHE 101 N 1.28 -0.04 -0.65 1.13 3.57 -1.20 -1.27 116.94 119.77 2k5i h PHE 101 Ca 0.35 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.96 2k5i h PHE 101 Cb -0.14 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.55 2k5i h PHE 101 CO -0.00 -0.03 0.24 0.00 -2.23 0.00 0.00 178.31 176.29 2k5i h ARG 102 N -0.02 0.40 -0.78 1.11 3.08 -0.36 -1.93 114.38 115.87 2k5i h ARG 102 Ca 0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2k5i h ARG 102 Cb 0.05 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 2k5i h ARG 102 CO -0.04 0.26 0.48 0.52 -1.07 0.00 0.00 179.97 180.12 2k5i h MET 103 N 0.41 1.06 -0.81 0.04 2.86 -0.81 -2.77 114.93 114.91 2k5i h MET 103 Ca 0.34 -0.09 0.05 0.00 -2.06 0.00 0.00 59.70 57.93 2k5i h MET 103 Cb 0.45 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 2k5i h MET 103 CO -0.34 0.74 0.51 0.87 1.06 0.00 0.00 176.91 179.75 2k5i h LYS 104 N 1.07 0.93 -0.09 1.72 1.57 -0.46 0.85 116.57 122.16 2k5i h LYS 104 Ca 0.28 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2k5i h LYS 104 Cb -0.05 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 2k5i h LYS 104 CO -0.05 0.61 -0.02 -0.91 -0.57 0.00 0.00 179.45 178.51 2k5i h ASN 105 N 0.96 -0.08 0.56 0.86 2.35 -1.17 -2.97 115.58 116.09 2k5i h ASN 105 Ca 0.34 0.03 -0.21 0.00 -0.55 0.00 0.00 56.30 55.91 2k5i h ASN 105 Cb 0.09 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2k5i h ASN 105 CO -0.14 -0.02 -0.91 -0.07 -1.65 0.00 0.00 177.43 174.63 2k5i h LEU 106 N 0.01 0.30 0.00 1.61 -0.00 -1.49 -3.48 115.31 112.25 2k5i h LEU 106 Ca 0.04 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2k5i h LEU 106 Cb 0.06 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 2k5i h LEU 106 CO -0.09 1.06 0.00 0.61 -0.00 0.00 0.00 178.44 180.02 2k5i n GLY 107 N 0.94 1.49 2.80 0.83 0.00 0.12 -4.88 105.19 106.49 2k5i n GLY 107 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.19 1.33 0.00 -0.61 -0.00 -0.21 -4.88 119.36 114.80 2k5i n ILE 108 Ca 0.00 -4.71 0.00 0.00 -0.00 0.00 0.00 62.75 58.04 2k5i n ILE 108 Cb 0.00 -2.11 0.00 0.00 -0.00 0.00 0.00 39.64 37.53 2k5i n ILE 108 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2k5i n GLU 109 N 1.97 0.00 -3.66 6.28 1.02 -1.26 -4.54 120.64 120.45 2k5i n GLU 109 Ca 0.22 0.04 -0.07 0.00 -0.02 0.00 0.00 57.16 57.33 2k5i n GLU 109 Cb 0.37 -0.30 -0.08 0.00 -0.02 0.00 0.00 31.44 31.41 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 -1.92 -0.76 0.00 1.62 1.04 -1.26 -4.90 113.70 107.52 2k5i s SER 110 Ca 0.00 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2k5i s SER 110 Cb 0.00 1.35 0.00 0.00 0.10 0.00 0.00 66.02 67.47 2k5i s SER 110 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2k5i n GLY 111 N 4.63 1.18 3.74 7.32 0.00 -0.57 -5.01 105.19 116.48 2k5i n GLY 111 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.04 4.44 -0.22 1.61 -0.14 -1.26 -4.78 119.74 119.35 2k5i s LYS 112 Ca 0.00 1.98 -0.24 0.00 -1.36 0.00 0.00 55.97 56.35 2k5i s LYS 112 Cb 0.00 -3.20 -0.01 0.00 -1.68 0.00 0.00 37.83 32.94 2k5i s LYS 112 CO 0.00 -0.16 0.80 0.15 -0.76 0.00 0.00 175.35 175.38 2k5i s LYS 113 N -0.35 4.21 -0.35 1.68 3.01 -1.26 -1.10 119.74 125.57 2k5i s LYS 113 Ca 0.54 0.91 -0.12 0.00 -1.01 0.00 0.00 55.97 56.29 2k5i s LYS 113 Cb -0.35 -3.62 0.01 0.00 -1.01 0.00 0.00 37.83 32.86 2k5i s LYS 113 CO 0.39 -0.43 0.22 -1.50 0.51 0.00 0.00 175.35 174.54 2k5i s ILE 114 N 2.53 4.88 -0.46 2.17 1.10 0.27 -4.04 121.20 127.64 2k5i s ILE 114 Ca 0.35 -0.54 -0.25 0.00 -0.51 0.00 0.00 60.65 59.70 2k5i s ILE 114 Cb -0.16 -3.60 0.03 0.00 0.15 0.00 0.00 42.46 38.88 2k5i s ILE 114 CO 0.09 -0.11 0.89 -1.10 -2.11 0.00 0.00 174.94 172.61 2k5i s GLN 115 N 1.64 3.50 -0.10 3.50 1.11 0.10 -0.92 119.66 128.48 2k5i s GLN 115 Ca 0.04 0.09 -0.23 0.00 0.01 0.00 0.00 55.36 55.27 2k5i s GLN 115 Cb -0.18 -3.93 -0.03 0.00 -1.01 0.00 0.00 33.01 27.86 2k5i s GLN 115 CO 0.08 -1.20 0.70 0.08 0.01 0.00 0.00 175.29 174.96 2k5i s VAL 116 N 3.64 5.02 -0.24 1.09 1.01 -0.25 -0.60 120.40 130.08 2k5i s VAL 116 Ca 0.35 1.42 -0.02 0.00 0.00 0.00 0.00 61.98 63.72 2k5i s VAL 116 Cb -0.11 -4.03 0.12 0.00 0.00 0.00 0.00 36.38 32.36 2k5i s VAL 116 CO 0.25 0.20 0.30 -0.44 0.00 0.00 0.00 175.10 175.41 2k5i s SER 117 N 0.91 0.99 -0.60 3.32 0.01 -0.19 -2.01 113.70 116.13 2k5i s SER 117 Ca 0.36 -0.19 -0.03 0.00 1.31 0.00 0.00 55.95 57.39 2k5i s SER 117 Cb -0.17 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2k5i s SER 117 CO 0.16 -0.33 0.52 0.61 0.41 0.00 0.00 173.24 174.61 2k5i n GLY 118 N 5.33 0.25 4.34 3.44 0.00 -1.26 -3.34 105.19 113.95 2k5i n GLY 118 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.51 0.00 -1.79 1.61 0.00 -1.26 -4.84 116.66 107.86 2k5i n ARG 119 Ca -0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.51 2k5i n ARG 119 Cb 0.53 -0.38 0.04 0.00 0.00 0.00 0.00 32.46 32.66 2k5i n ARG 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2k5i s ARG 120 N 0.00 2.95 -0.04 -0.14 0.52 -1.21 -5.03 118.95 116.00 2k5i s ARG 120 Ca 0.00 1.26 0.05 0.00 -0.52 0.00 0.00 55.73 56.51 2k5i s ARG 120 Cb 0.00 -1.98 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 2k5i s ARG 120 CO 0.00 -1.11 -0.17 0.71 0.02 0.00 0.00 175.30 174.75 2k5i s TYR 121 N -2.51 2.63 -0.01 -0.53 2.02 -1.26 -1.02 117.35 116.67 2k5i s TYR 121 Ca 0.64 -0.21 0.01 0.00 -0.37 0.00 0.00 57.07 57.14 2k5i s TYR 121 Cb -0.18 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 2k5i s TYR 121 CO 0.43 0.15 -0.02 0.71 -1.57 0.00 0.00 175.55 175.25 2k5i s TYR 122 N -0.73 0.27 -0.40 2.71 2.02 0.23 -3.55 117.35 117.90 2k5i s TYR 122 Ca 0.12 -0.04 -0.08 0.00 -0.37 0.00 0.00 57.07 56.69 2k5i s TYR 122 Cb -0.10 -0.21 0.07 0.00 -0.40 0.00 0.00 41.96 41.32 2k5i s TYR 122 CO 0.01 -0.03 0.22 0.42 -1.57 0.00 0.00 175.55 174.60 2k5i s ILE 123 N 0.13 4.08 -0.65 2.71 -1.09 -1.07 0.01 121.20 125.32 2k5i s ILE 123 Ca -0.01 -1.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.02 2k5i s ILE 123 Cb -0.03 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2k5i s ILE 123 CO -0.00 -0.45 0.00 -1.84 -1.23 0.00 0.00 174.94 171.41 2k5i n GLU 124 N 4.87 -1.44 0.00 2.79 0.28 -1.26 -0.07 120.64 125.82 2k5i n GLU 124 Ca -0.10 0.36 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 2k5i n GLU 124 Cb 0.43 -4.57 0.00 0.00 1.43 0.00 0.00 31.44 28.74 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 -0.23 1.97 3.81 -1.84 0.00 -1.26 -5.11 105.19 102.53 2k5i n GLY 125 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.05 4.29 0.01 1.61 0.52 0.90 -5.03 118.95 121.20 2k5i s ARG 126 Ca 0.00 1.04 -0.30 0.00 -0.52 0.00 0.00 55.73 55.95 2k5i s ARG 126 Cb 0.00 -2.53 -0.05 0.00 0.52 0.00 0.00 34.95 32.88 2k5i s ARG 126 CO 0.00 0.17 1.35 -1.83 0.02 0.00 0.00 175.30 175.01 2k5i s GLU 127 N -2.60 4.31 -0.14 3.54 -1.05 -1.26 -2.60 118.70 118.90 2k5i s GLU 127 Ca 0.54 1.91 -0.01 0.00 -0.15 0.00 0.00 54.97 57.26 2k5i s GLU 127 Cb -0.13 -3.51 -0.02 0.00 -0.44 0.00 0.00 34.13 30.03 2k5i s GLU 127 CO 0.18 -0.50 -0.11 0.42 0.95 0.00 0.00 175.26 176.20 2k5i s ILE 128 N 2.07 3.23 -1.81 1.83 -1.09 -1.23 -4.93 121.20 119.26 2k5i s ILE 128 Ca 0.62 -0.59 0.31 0.00 -2.23 0.00 0.00 60.65 58.75 2k5i s ILE 128 Cb -0.31 -2.38 0.68 0.00 -1.58 0.00 0.00 42.46 38.88 2k5i s ILE 128 CO 0.26 0.51 2.06 -0.67 -1.23 0.00 0.00 174.94 175.88 2k5i n ASP 129 N 3.62 0.22 -4.73 3.58 2.03 -1.26 -4.70 116.55 115.31 2k5i n ASP 129 Ca -0.18 -0.72 -0.41 0.00 0.52 0.00 0.00 54.79 54.00 2k5i n ASP 129 Cb 0.52 -0.09 0.01 0.00 -0.72 0.00 0.00 41.12 40.84 2k5i n ASP 129 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k5i n LEU 130 N -0.97 4.33 0.00 -2.67 4.77 -1.26 -4.94 117.00 116.25 2k5i n LEU 130 Ca 0.19 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.33 2k5i n LEU 130 Cb 0.20 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 2k5i n LEU 130 CO 0.20 -0.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 2k5i n GLY 131 N 0.67 -0.12 2.01 -0.72 0.00 -1.26 -4.71 105.19 101.06 2k5i n GLY 131 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2k5i n GLY 131 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k5i n TYR 132 N -2.29 -1.49 -0.24 1.61 4.19 -1.26 -4.74 117.16 112.94 2k5i n TYR 132 Ca 0.00 0.28 0.00 0.00 3.31 0.00 0.00 57.90 61.49 2k5i n TYR 132 Cb 0.00 0.68 0.12 0.00 0.49 0.00 0.00 39.34 40.63 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 1.03 1.79 2.98 0.00 -2.00 -0.93 103.07 105.93 2k5i h GLY 133 Ca 0.00 -0.23 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 2k5i h GLY 133 CO 0.00 0.09 -0.68 0.83 0.00 0.00 0.00 176.54 176.78 2k5i h GLU 134 N 0.62 0.21 -0.00 4.80 4.39 -1.98 -3.30 114.58 119.32 2k5i h GLU 134 Ca 0.33 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2k5i h GLU 134 Cb 0.31 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2k5i h GLU 134 CO -0.24 0.81 -0.09 0.00 -1.16 0.00 0.00 179.01 178.32 2k5i h ALA 135 N 1.15 1.84 0.00 3.43 0.00 -1.47 -0.56 119.26 123.64 2k5i h ALA 135 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k5i h ALA 135 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k5i h ALA 135 CO 0.10 0.12 0.00 -2.37 0.00 0.00 0.00 179.25 177.11 2k5i n THR 136 N -4.42 0.05 -0.02 0.00 5.66 -1.04 -1.09 114.28 113.40 2k5i n THR 136 Ca -0.03 0.01 -0.11 0.00 -3.05 0.00 0.00 64.05 60.87 2k5i n THR 136 Cb 0.17 -0.53 -0.14 0.00 -1.55 0.00 0.00 70.33 68.29 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 -1.41 0.66 -2.95 1.09 5.02 -0.23 -4.82 118.16 115.53 2k5i n LYS 137 Ca 0.10 0.27 -0.40 0.00 -2.02 0.00 0.00 58.31 56.26 2k5i n LYS 137 Cb 0.29 -1.75 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 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 -2.58 4.40 -0.09 -0.18 1.09 -1.19 -1.06 121.20 121.59 2k5i s ILE 138 Ca -0.09 1.75 0.04 0.00 -1.10 0.00 0.00 60.65 61.25 2k5i s ILE 138 Cb 0.08 -4.16 -0.00 0.00 -1.06 0.00 0.00 42.46 37.31 2k5i s ILE 138 CO 0.81 0.49 -0.24 0.26 -0.10 0.00 0.00 174.94 176.17 2k5i s TRP 139 N -0.94 2.49 0.27 3.97 0.52 -0.29 0.14 118.94 125.10 2k5i s TRP 139 Ca 0.37 -0.99 0.04 0.00 0.02 0.00 0.00 56.10 55.54 2k5i s TRP 139 Cb -0.23 -1.67 -0.06 0.00 -1.15 0.00 0.00 33.47 30.37 2k5i s TRP 139 CO 0.26 -0.39 0.01 0.14 0.02 0.00 0.00 176.95 177.00 2k5i s VAL 140 N 0.30 1.17 0.08 4.03 -7.23 -0.04 -1.39 120.40 117.32 2k5i s VAL 140 Ca -0.17 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.01 2k5i s VAL 140 Cb -0.17 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 2k5i s VAL 140 CO 0.08 -0.19 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.44 2k5i s ARG 141 N -3.86 0.81 -0.48 4.82 0.52 -0.36 -2.64 118.95 117.76 2k5i s ARG 141 Ca 0.32 -1.02 -0.29 0.00 -0.52 0.00 0.00 55.73 54.22 2k5i s ARG 141 Cb 0.07 -0.66 0.02 0.00 0.52 0.00 0.00 34.95 34.90 2k5i s ARG 141 CO 0.12 0.13 1.22 0.50 0.02 0.00 0.00 175.30 177.28 2k5i s ARG 142 N -2.16 3.66 -0.27 3.54 6.06 -1.26 -0.72 118.95 127.79 2k5i s ARG 142 Ca 0.00 0.62 -0.12 0.00 -2.50 0.00 0.00 55.73 53.73 2k5i s ARG 142 Cb -0.07 -3.95 -0.14 0.00 0.06 0.00 0.00 34.95 30.85 2k5i s ARG 142 CO 0.01 -1.47 -0.26 1.33 -2.50 0.00 0.00 175.30 172.41 2k5i n VAL 143 N 6.90 1.53 -2.63 7.11 0.24 -1.15 -4.97 118.33 125.35 2k5i n VAL 143 Ca 0.13 -0.39 -0.21 0.00 -2.04 0.00 0.00 64.34 61.83 2k5i n VAL 143 Cb 0.49 -1.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.04 2k5i n VAL 143 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2k5i n SER 144 N -4.10 -5.77 0.28 -1.34 7.64 -0.67 -4.86 113.62 104.80 2k5i n SER 144 Ca -0.51 -0.10 0.18 0.00 1.01 0.00 0.00 58.87 59.46 2k5i n SER 144 Cb 0.89 -4.76 0.95 0.00 -1.01 0.00 0.00 64.21 60.28 2k5i n SER 144 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2k5i h ASP 145 N -0.47 0.00 0.00 6.43 5.19 -1.92 -3.08 116.42 122.57 2k5i h ASP 145 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2k5i h ASP 145 Cb 1.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.86 2k5i h ASP 145 CO 0.56 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.68 2k5i n ALA 146 N -2.21 2.09 -1.67 3.45 0.00 -1.26 -4.73 120.51 116.17 2k5i n ALA 146 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 2k5i n ALA 146 Cb 0.21 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 2k5i n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5i n GLY 147 N 0.42 1.49 3.92 0.00 0.00 -1.16 -4.98 105.19 104.87 2k5i n GLY 147 Ca 0.00 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.80 3.58 -0.08 1.61 -1.05 -1.24 -5.03 118.70 112.69 2k5i s GLU 148 Ca 0.00 -0.12 0.15 0.00 -0.15 0.00 0.00 54.97 54.86 2k5i s GLU 148 Cb 0.00 -2.68 0.31 0.00 -0.44 0.00 0.00 34.13 31.32 2k5i s GLU 148 CO 0.00 0.22 1.14 -0.85 0.95 0.00 0.00 175.26 176.73 2k5i n GLU 149 N -1.08 0.65 -2.04 -4.83 0.00 -1.26 -4.93 120.64 107.15 2k5i n GLU 149 Ca -0.03 -2.24 -0.41 0.00 0.00 0.00 0.00 57.16 54.48 2k5i n GLU 149 Cb 0.54 -0.81 -0.02 0.00 0.00 0.00 0.00 31.44 31.16 2k5i n GLU 149 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2k5i s SER 150 N -2.27 6.67 0.09 -1.84 0.01 -1.26 -5.04 113.70 110.05 2k5i s SER 150 Ca 0.27 2.75 0.09 0.00 1.31 0.00 0.00 55.95 60.37 2k5i s SER 150 Cb 0.28 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2k5i s SER 150 CO -0.07 -0.63 -0.22 -1.00 0.41 0.00 0.00 173.24 171.72 2k5i s HIS 151 N -0.87 2.44 -0.84 2.43 3.76 -1.26 -5.03 115.29 115.93 2k5i s HIS 151 Ca 0.52 -0.32 -0.21 0.00 -0.15 0.00 0.00 55.06 54.89 2k5i s HIS 151 Cb -0.41 -1.36 -0.19 0.00 1.11 0.00 0.00 32.58 31.73 2k5i s HIS 151 CO 0.52 0.29 2.24 -0.35 -0.85 0.00 0.00 174.74 176.59 2k5i n PRO 152 N 1.22 0.34 -0.26 8.40 -0.04 -1.26 -4.90 135.00 138.51 2k5i n PRO 152 Ca -0.17 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 2k5i n PRO 152 Cb 0.52 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 2k5i n PRO 152 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2k5i n GLN 153 N 7.82 1.97 -2.39 0.54 1.13 -1.26 0.65 117.38 125.85 2k5i n GLN 153 Ca 0.47 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 55.29 2k5i n GLN 153 Cb 0.38 0.00 0.08 0.00 0.11 0.00 0.00 30.24 30.81 2k5i n GLN 153 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2k5i s LYS 154 N 0.83 2.02 0.58 -1.09 1.02 -1.26 -4.21 119.74 117.63 2k5i s LYS 154 Ca 0.00 -0.63 -0.20 0.00 0.02 0.00 0.00 55.97 55.16 2k5i s LYS 154 Cb 0.00 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 2k5i s LYS 154 CO 0.00 -1.25 1.30 -0.51 -0.92 0.00 0.00 175.35 173.96 2k5i s LEU 155 N -5.15 3.75 0.00 3.17 1.43 -1.26 -2.84 118.68 117.78 2k5i s LEU 155 Ca 0.62 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 56.34 2k5i s LEU 155 Cb -0.09 -4.43 0.00 0.00 0.03 0.00 0.00 46.19 41.70 2k5i s LEU 155 CO 0.44 -1.65 0.00 -0.62 0.23 0.00 0.00 176.35 174.74 2k5i n GLU 156 N -1.35 0.00 0.00 1.70 -0.58 -1.26 -4.82 120.64 114.34 2k5i n GLU 156 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2k5i n GLU 156 Cb 0.47 -0.15 0.00 0.00 -0.57 0.00 0.00 31.44 31.19 2k5i n GLU 156 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2k5i n HIS 157 N 0.00 0.00 -3.40 -0.32 8.25 -1.13 -4.42 115.22 114.19 2k5i n HIS 157 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 2k5i n HIS 157 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 2k5i n HIS 157 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k5i s HIS 158 N 0.00 -0.93 -1.00 4.41 5.65 -1.26 -5.02 115.29 117.13 2k5i s HIS 158 Ca 0.00 1.45 -0.25 0.00 0.25 0.00 0.00 55.06 56.51 2k5i s HIS 158 Cb 0.00 0.50 -0.14 0.00 -1.18 0.00 0.00 32.58 31.76 2k5i s HIS 158 CO 0.00 -0.48 2.12 -3.38 -0.65 0.00 0.00 174.74 172.35 2k5i s HIS 159 N 2.67 1.46 0.31 3.88 -3.43 -1.26 -4.58 115.29 114.34 2k5i s HIS 159 Ca -0.00 1.53 0.00 0.00 -0.80 0.00 0.00 55.06 55.79 2k5i s HIS 159 Cb -0.09 -3.63 0.00 0.00 -1.43 0.00 0.00 32.58 27.43 2k5i s HIS 159 CO -0.18 -1.20 0.00 1.58 -2.00 0.00 0.00 174.74 172.95 2k5i n HIS 160 N 17.28 -4.37 -2.74 0.38 -0.00 -1.26 -4.96 115.22 119.55 2k5i n HIS 160 Ca 0.43 2.34 -0.37 0.00 0.46 0.00 0.00 57.72 60.59 2k5i n HIS 160 Cb 0.46 -3.48 -0.06 0.00 -0.12 0.00 0.00 29.99 26.79 2k5i n HIS 160 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k5i s HIS 161 N -1.63 3.59 0.00 1.57 2.46 -1.26 -5.27 115.29 114.74 2k5i s HIS 161 Ca 0.00 1.74 0.00 0.00 0.47 0.00 0.00 55.06 57.27 2k5i s HIS 161 Cb 0.00 -2.96 0.00 0.00 -0.13 0.00 0.00 32.58 29.49 2k5i s HIS 161 CO 0.00 0.03 0.00 -2.39 -2.47 0.00 0.00 174.74 169.91