#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 3.97 0.45 3.17 3.01 -1.26 -0.42 119.74 128.65 2k5i s LYS 2 Ca 0.00 0.70 0.30 0.00 -1.01 0.00 0.00 55.97 55.96 2k5i s LYS 2 Cb 0.00 -2.36 1.62 0.00 -1.01 0.00 0.00 37.83 36.07 2k5i s LYS 2 CO 0.00 0.04 1.93 1.37 0.51 0.00 0.00 175.35 179.20 2k5i h LEU 3 N 1.82 0.00 -2.56 3.17 -0.00 -1.77 -2.62 115.31 113.36 2k5i h LEU 3 Ca -0.48 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.41 2k5i h LEU 3 Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2k5i h LEU 3 CO 0.64 0.00 0.06 0.77 -0.00 0.00 0.00 178.44 179.91 2k5i h SER 4 N 0.00 0.00 -0.08 0.17 4.64 -1.86 -0.71 113.55 115.70 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 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2k5i h SER 4 CO 0.00 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.85 2k5i n ARG 5 N -3.53 1.18 -2.20 4.77 1.85 -0.99 -4.98 116.66 112.77 2k5i n ARG 5 Ca -0.02 -1.44 -0.42 0.00 -1.00 0.00 0.00 57.85 54.98 2k5i n ARG 5 Cb 0.15 -1.27 -0.03 0.00 -1.05 0.00 0.00 32.46 30.26 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 -1.09 4.40 0.07 2.89 2.96 -0.28 -4.77 118.68 122.87 2k5i s LEU 6 Ca 0.18 2.40 -0.29 0.00 -0.22 0.00 0.00 54.13 56.19 2k5i s LEU 6 Cb 0.12 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.15 2k5i s LEU 6 CO 0.17 -0.56 0.92 -0.69 -1.32 0.00 0.00 176.35 174.86 2k5i s VAL 7 N 0.34 4.64 -0.20 1.68 1.01 -1.26 -4.90 120.40 121.71 2k5i s VAL 7 Ca 0.59 1.96 -0.38 0.00 0.00 0.00 0.00 61.98 64.14 2k5i s VAL 7 Cb -0.37 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 31.60 2k5i s VAL 7 CO 0.37 0.29 1.77 -2.65 0.00 0.00 0.00 175.10 174.88 2k5i n PRO 8 N 3.04 1.50 0.00 2.72 -0.02 -1.26 -1.35 135.00 139.64 2k5i n PRO 8 Ca 0.02 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2k5i n PRO 8 Cb 0.50 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 4.18 2.86 3.62 -1.23 0.00 0.56 -4.99 105.19 110.20 2k5i n GLY 9 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.60 4.86 0.08 1.61 1.01 -0.45 -4.97 120.40 119.93 2k5i s VAL 10 Ca 0.00 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 2k5i s VAL 10 Cb 0.00 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2k5i s VAL 10 CO 0.00 -0.13 1.01 -2.16 0.00 0.00 0.00 175.10 173.82 2k5i s PRO 11 N 2.80 4.61 0.40 2.72 0.04 -1.26 -3.86 135.00 140.45 2k5i s PRO 11 Ca 0.31 1.50 0.05 0.00 0.04 0.00 0.00 61.00 62.90 2k5i s PRO 11 Cb -0.15 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 2k5i s PRO 11 CO 0.10 0.06 0.17 0.00 0.04 0.00 0.00 177.00 177.38 2k5i s ALA 12 N 0.42 2.70 0.01 8.56 0.00 0.24 -0.36 121.76 133.33 2k5i s ALA 12 Ca 0.50 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2k5i s ALA 12 Cb -0.24 0.94 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 2k5i s ALA 12 CO 0.30 -0.42 -0.02 0.50 0.00 0.00 0.00 175.76 176.11 2k5i s ARG 13 N -3.62 0.21 -0.02 0.00 3.52 -0.05 0.03 118.95 119.00 2k5i s ARG 13 Ca 0.27 -0.31 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 2k5i s ARG 13 Cb 0.02 -0.04 -0.06 0.00 -1.56 0.00 0.00 34.95 33.32 2k5i s ARG 13 CO 0.18 -0.00 1.57 0.42 -0.81 0.00 0.00 175.30 176.66 2k5i s ILE 14 N -0.66 3.55 -0.09 4.11 -1.09 -0.37 -1.61 121.20 125.04 2k5i s ILE 14 Ca -0.06 0.81 -0.03 0.00 -2.23 0.00 0.00 60.65 59.13 2k5i s ILE 14 Cb -0.05 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.30 2k5i s ILE 14 CO -0.00 -0.04 -0.06 0.11 -1.23 0.00 0.00 174.94 173.71 2k5i h LYS 15 N 8.81 0.00 -3.38 2.79 1.57 -0.94 -2.75 116.57 122.67 2k5i h LYS 15 Ca -0.39 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.33 2k5i h LYS 15 Cb 1.18 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.34 2k5i h LYS 15 CO 0.94 0.00 -0.15 -0.98 -0.57 0.00 0.00 179.45 178.69 2k5i s ARG 16 N -1.68 0.97 -0.32 3.15 1.70 -1.17 -4.35 118.95 117.25 2k5i s ARG 16 Ca -0.05 -0.66 0.02 0.00 -0.47 0.00 0.00 55.73 54.57 2k5i s ARG 16 Cb 0.01 0.42 0.08 0.00 -0.57 0.00 0.00 34.95 34.89 2k5i s ARG 16 CO 0.08 -0.35 0.02 -0.51 -1.08 0.00 0.00 175.30 173.46 2k5i s LEU 17 N -2.57 4.34 -0.28 -1.89 1.02 -1.26 -2.33 118.68 115.71 2k5i s LEU 17 Ca 0.01 -1.81 0.03 0.00 0.02 0.00 0.00 54.13 52.38 2k5i s LEU 17 Cb 0.02 -1.65 0.43 0.00 0.02 0.00 0.00 46.19 45.01 2k5i s LEU 17 CO -0.09 -0.33 1.58 -1.84 0.02 0.00 0.00 176.35 175.69 2k5i n GLU 18 N 4.40 1.82 -4.92 1.70 0.28 -1.17 -4.86 120.64 117.90 2k5i n GLU 18 Ca -0.04 -1.92 -0.27 0.00 -0.16 0.00 0.00 57.16 54.77 2k5i n GLU 18 Cb 0.42 -1.75 -0.16 0.00 1.43 0.00 0.00 31.44 31.37 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 -2.10 1.56 0.20 3.84 0.11 -1.26 -5.08 120.40 117.68 2k5i s VAL 19 Ca 0.36 -0.78 0.09 0.00 -2.93 0.00 0.00 61.98 58.72 2k5i s VAL 19 Cb 0.31 -1.35 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 2k5i s VAL 19 CO 0.07 0.45 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.81 2k5i s SER 20 N 0.09 4.49 0.00 3.54 0.01 -1.26 -4.25 113.70 116.31 2k5i s SER 20 Ca -0.06 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2k5i s SER 20 Cb -0.13 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.26 2k5i s SER 20 CO 0.03 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.36 2k5i n GLY 21 N -0.29 0.47 0.22 3.44 0.00 -1.26 -4.58 105.19 103.19 2k5i n GLY 21 Ca -0.09 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 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 0.70 -0.50 1.61 3.07 -2.00 -2.03 114.58 115.43 2k5i h GLU 22 Ca 0.00 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 2k5i h GLU 22 Cb 0.00 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 2k5i h GLU 22 CO 0.00 0.56 0.28 1.25 -1.40 0.00 0.00 179.01 179.70 2k5i h LEU 23 N 0.65 0.61 -0.26 1.33 5.85 -1.94 -2.60 115.31 118.96 2k5i h LEU 23 Ca 0.17 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2k5i h LEU 23 Cb 0.07 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2k5i h LEU 23 CO -0.03 0.51 0.16 -0.74 -0.34 0.00 0.00 178.44 178.01 2k5i h HIS 24 N 0.66 0.31 -0.46 1.25 2.76 -1.65 -1.26 115.15 116.75 2k5i h HIS 24 Ca 0.18 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.27 2k5i h HIS 24 Cb 0.03 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 2k5i h HIS 24 CO -0.02 0.19 -0.07 1.05 -1.30 0.00 0.00 177.93 177.78 2k5i h GLU 25 N 0.33 0.81 -0.12 5.26 4.11 -1.29 -2.44 114.58 121.25 2k5i h GLU 25 Ca 0.10 -0.25 -0.09 0.00 0.07 0.00 0.00 59.36 59.18 2k5i h GLU 25 Cb -0.02 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2k5i h GLU 25 CO -0.03 0.86 -0.28 1.57 0.07 0.00 0.00 179.01 181.20 2k5i h LYS 26 N 0.74 0.40 -0.26 1.06 2.10 -1.35 -3.23 116.57 116.03 2k5i h LYS 26 Ca 0.13 -0.27 0.03 0.00 -2.00 0.00 0.00 60.65 58.54 2k5i h LYS 26 Cb 0.55 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.89 2k5i h LYS 26 CO 0.03 0.88 0.08 -0.07 -2.00 0.00 0.00 179.45 178.38 2k5i h LEU 27 N -0.03 0.08 -1.76 7.07 3.38 -1.11 0.17 115.31 123.11 2k5i h LEU 27 Ca -0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k5i h LEU 27 Cb 0.89 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2k5i h LEU 27 CO 0.06 0.08 0.14 -0.37 0.09 0.00 0.00 178.44 178.44 2k5i h VAL 28 N 0.20 1.06 0.00 1.22 -1.51 -1.56 0.17 116.25 115.84 2k5i h VAL 28 Ca 0.12 -0.14 -0.15 0.00 -1.23 0.00 0.00 66.70 65.30 2k5i h VAL 28 Cb 0.09 0.75 -0.02 0.00 -2.13 0.00 0.00 31.29 29.98 2k5i h VAL 28 CO -0.13 0.06 -0.75 1.23 -1.23 0.00 0.00 177.57 176.76 2k5i h GLY 29 N 0.32 0.00 2.00 5.19 0.00 -1.38 -3.23 103.07 105.97 2k5i h GLY 29 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2k5i h GLY 29 CO -0.02 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.19 2k5i h MET 30 N 0.00 0.00 0.00 4.80 2.07 0.86 -3.47 114.93 119.19 2k5i h MET 30 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2k5i h MET 30 Cb 1.55 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.28 2k5i h MET 30 CO 0.09 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.48 2k5i n GLY 31 N 1.03 1.18 3.57 8.32 0.00 0.30 -4.92 105.19 114.67 2k5i n GLY 31 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.80 2.22 0.02 1.61 0.40 0.33 -4.76 117.98 116.00 2k5i s PHE 32 Ca 0.00 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 2k5i s PHE 32 Cb 0.00 -4.33 -0.01 0.00 0.51 0.00 0.00 43.02 39.18 2k5i s PHE 32 CO 0.00 -1.65 -0.04 0.14 0.70 0.00 0.00 175.22 174.37 2k5i s VAL 33 N 7.94 0.23 -0.57 -0.44 -7.23 -1.26 -3.93 120.40 115.13 2k5i s VAL 33 Ca 0.61 -0.67 -0.29 0.00 -1.81 0.00 0.00 61.98 59.82 2k5i s VAL 33 Cb -0.01 -0.30 -0.11 0.00 0.56 0.00 0.00 36.38 36.52 2k5i s VAL 33 CO 0.03 -0.29 2.44 -0.81 -0.31 0.00 0.00 175.10 176.16 2k5i n PRO 34 N 2.05 0.86 0.00 4.82 -0.04 -1.26 -2.09 135.00 139.34 2k5i n PRO 34 Ca -0.20 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2k5i n PRO 34 Cb 0.56 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 2k5i n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k5i n GLY 35 N 6.19 2.85 3.75 0.55 0.00 -1.04 -5.04 105.19 112.46 2k5i n GLY 35 Ca 0.44 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 4.58 0.21 1.61 0.41 -0.89 -4.82 118.70 119.81 2k5i s GLU 36 Ca 0.00 1.82 -0.30 0.00 -0.41 0.00 0.00 54.97 56.08 2k5i s GLU 36 Cb 0.00 -3.22 -0.08 0.00 -1.78 0.00 0.00 34.13 29.05 2k5i s GLU 36 CO 0.00 0.09 0.96 -1.21 -0.49 0.00 0.00 175.26 174.61 2k5i s GLU 37 N -0.90 4.81 -0.03 1.61 8.01 -1.26 -1.23 118.70 129.71 2k5i s GLU 37 Ca 0.48 1.51 0.01 0.00 0.01 0.00 0.00 54.97 56.98 2k5i s GLU 37 Cb -0.32 -3.29 0.02 0.00 -4.31 0.00 0.00 34.13 26.22 2k5i s GLU 37 CO 0.39 0.43 -0.04 -1.50 0.01 0.00 0.00 175.26 174.55 2k5i s ILE 38 N -0.92 0.42 -0.03 -1.63 2.07 0.10 -2.54 121.20 118.67 2k5i s ILE 38 Ca 0.43 -0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.59 2k5i s ILE 38 Cb -0.26 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 41.90 2k5i s ILE 38 CO 0.32 0.17 -0.12 -1.83 -1.91 0.00 0.00 174.94 171.57 2k5i s GLU 39 N 0.61 1.32 -0.27 3.50 -1.05 -0.62 -0.59 118.70 121.59 2k5i s GLU 39 Ca -0.07 -0.43 -0.29 0.00 -0.15 0.00 0.00 54.97 54.03 2k5i s GLU 39 Cb -0.11 -1.18 0.01 0.00 -0.44 0.00 0.00 34.13 32.42 2k5i s GLU 39 CO -0.00 0.16 1.06 0.42 0.95 0.00 0.00 175.26 177.84 2k5i s ILE 40 N 0.16 4.60 -0.08 1.83 -1.09 -1.25 0.44 121.20 125.81 2k5i s ILE 40 Ca -0.04 1.90 -0.24 0.00 -2.23 0.00 0.00 60.65 60.04 2k5i s ILE 40 Cb -0.10 -4.35 -0.20 0.00 -1.58 0.00 0.00 42.46 36.23 2k5i s ILE 40 CO 0.01 -0.31 0.89 0.58 -1.23 0.00 0.00 174.94 174.88 2k5i h VAL 41 N 5.57 1.28 -2.67 2.92 2.07 -0.69 0.16 116.25 124.89 2k5i h VAL 41 Ca -0.20 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 65.80 2k5i h VAL 41 Cb 1.06 2.25 -0.13 0.00 -1.52 0.00 0.00 31.29 32.95 2k5i h VAL 41 CO 1.00 0.37 0.34 0.00 0.02 0.00 0.00 177.57 179.30 2k5i s GLN 42 N -3.10 1.10 -0.09 1.57 -2.07 -1.12 -4.34 119.66 111.61 2k5i s GLN 42 Ca -0.15 -0.42 -0.03 0.00 -1.82 0.00 0.00 55.36 52.94 2k5i s GLN 42 Cb -0.01 0.50 -0.03 0.00 -1.09 0.00 0.00 33.01 32.38 2k5i s GLN 42 CO 0.58 -0.48 0.02 0.08 -1.32 0.00 0.00 175.29 174.16 2k5i s VAL 43 N -3.47 4.48 0.73 3.63 1.01 -1.26 -1.31 120.40 124.20 2k5i s VAL 43 Ca 0.03 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 2k5i s VAL 43 Cb -0.01 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.51 2k5i s VAL 43 CO -0.10 0.61 1.15 0.00 0.00 0.00 0.00 175.10 176.76 2k5i s ALA 44 N -0.88 2.20 -0.10 5.51 0.00 -1.15 -4.68 121.76 122.67 2k5i s ALA 44 Ca 0.13 0.66 0.16 0.00 0.00 0.00 0.00 51.96 52.91 2k5i s ALA 44 Cb -0.11 -3.39 0.85 0.00 0.00 0.00 0.00 23.12 20.46 2k5i s ALA 44 CO 0.02 -1.73 1.41 -0.35 0.00 0.00 0.00 175.76 175.12 2k5i n PRO 45 N -2.83 0.10 -0.48 0.00 -0.04 -1.26 -0.54 135.00 129.94 2k5i n PRO 45 Ca 0.12 0.58 0.09 0.00 -0.04 0.00 0.00 63.50 64.25 2k5i n PRO 45 Cb 0.51 -2.02 0.31 0.00 -0.04 0.00 0.00 33.50 32.26 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 -2.09 4.26 0.00 1.53 4.32 -1.25 -3.86 117.00 119.91 2k5i n LEU 46 Ca -0.01 -2.32 0.00 0.00 -0.02 0.00 0.00 56.01 53.66 2k5i n LEU 46 Cb 0.21 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.50 2k5i n LEU 46 CO 0.07 0.83 0.00 0.61 -1.22 0.00 0.00 177.39 177.68 2k5i n GLY 47 N 1.03 1.33 3.18 -0.72 0.00 0.13 -2.87 105.19 107.28 2k5i n GLY 47 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -0.10 0.72 1.61 -4.77 -1.26 -4.50 116.67 108.37 2k5i s ASP 48 Ca 0.00 -0.04 -0.12 0.00 -3.30 0.00 0.00 52.55 49.10 2k5i s ASP 48 Cb 0.00 0.27 0.03 0.00 -1.09 0.00 0.00 42.92 42.13 2k5i s ASP 48 CO 0.00 -0.42 1.09 -2.16 0.70 0.00 0.00 175.17 174.38 2k5i s PRO 49 N -1.35 2.57 -0.04 2.11 0.04 -1.26 -4.90 135.00 132.16 2k5i s PRO 49 Ca -0.14 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.06 2k5i s PRO 49 Cb -0.06 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2k5i s PRO 49 CO 0.03 -1.40 0.04 0.96 0.04 0.00 0.00 177.00 176.66 2k5i s ILE 50 N -2.80 4.51 -0.39 0.56 -0.00 -0.07 -2.92 121.20 120.09 2k5i s ILE 50 Ca 0.62 -0.34 -0.17 0.00 -0.00 0.00 0.00 60.65 60.75 2k5i s ILE 50 Cb -0.17 -2.98 0.01 0.00 -0.00 0.00 0.00 42.46 39.32 2k5i s ILE 50 CO 0.52 0.47 0.45 -0.69 -0.00 0.00 0.00 174.94 175.70 2k5i s VAL 51 N -1.04 5.07 0.53 8.37 1.01 -0.43 -1.83 120.40 132.07 2k5i s VAL 51 Ca 0.18 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.08 2k5i s VAL 51 Cb -0.12 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.28 2k5i s VAL 51 CO 0.08 -0.33 0.13 0.00 0.00 0.00 0.00 175.10 174.98 2k5i s LYS 53 N -4.02 1.03 -0.39 0.00 1.02 0.17 -0.36 119.74 117.19 2k5i s LYS 53 Ca 0.12 -0.10 -0.11 0.00 0.02 0.00 0.00 55.97 55.90 2k5i s LYS 53 Cb -0.00 -1.15 0.04 0.00 -0.52 0.00 0.00 37.83 36.20 2k5i s LYS 53 CO 0.07 -0.20 0.24 0.42 -0.92 0.00 0.00 175.35 174.96 2k5i s ILE 54 N 1.49 4.61 0.00 2.17 1.01 0.12 -1.59 121.20 129.01 2k5i s ILE 54 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.67 2k5i s ILE 54 Cb -0.13 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2k5i s ILE 54 CO -0.04 -0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.19 2k5i n GLY 55 N 5.01 0.58 0.17 6.18 0.00 -1.05 -2.65 105.19 113.43 2k5i n GLY 55 Ca -0.11 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 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 3.06 2.66 -4.89 1.61 3.02 -1.26 -5.07 115.26 114.38 2k5i n ASN 56 Ca 0.00 -0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.23 2k5i n ASN 56 Cb 0.00 -0.22 -0.04 0.00 -0.61 0.00 0.00 39.78 38.91 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 -2.23 3.69 -0.01 3.52 1.70 -1.08 -5.01 118.95 119.52 2k5i s ARG 57 Ca -0.16 0.08 -0.24 0.00 -0.47 0.00 0.00 55.73 54.94 2k5i s ARG 57 Cb 0.04 -2.68 -0.05 0.00 -0.57 0.00 0.00 34.95 31.70 2k5i s ARG 57 CO 0.25 0.29 0.72 -0.80 -1.08 0.00 0.00 175.30 174.69 2k5i s ASN 58 N -2.77 7.09 -0.07 -2.89 -0.87 -1.26 -0.71 114.94 113.46 2k5i s ASN 58 Ca 0.45 1.30 0.05 0.00 -1.57 0.00 0.00 52.86 53.09 2k5i s ASN 58 Cb -0.11 -2.43 -0.00 0.00 -0.02 0.00 0.00 41.25 38.68 2k5i s ASN 58 CO 0.26 -0.04 -0.23 -0.63 -2.57 0.00 0.00 177.10 173.89 2k5i s ILE 59 N 0.33 1.95 -0.29 0.60 -1.09 0.52 -4.94 121.20 118.27 2k5i s ILE 59 Ca 0.38 -0.99 -0.13 0.00 -2.23 0.00 0.00 60.65 57.68 2k5i s ILE 59 Cb -0.19 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.99 2k5i s ILE 59 CO 0.20 0.54 0.26 -0.89 -1.23 0.00 0.00 174.94 173.83 2k5i s THR 60 N 0.07 5.26 -0.00 2.92 2.01 -1.26 -0.87 115.64 123.77 2k5i s THR 60 Ca -0.10 0.24 0.07 0.00 0.31 0.00 0.00 61.69 62.22 2k5i s THR 60 Cb -0.15 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 2k5i s THR 60 CO 0.05 0.17 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.70 2k5i s LEU 61 N 1.87 2.08 0.74 4.42 1.98 -0.76 -4.95 118.68 124.06 2k5i s LEU 61 Ca 0.10 -0.45 -0.06 0.00 -2.89 0.00 0.00 54.13 50.83 2k5i s LEU 61 Cb -0.16 -1.17 0.10 0.00 0.66 0.00 0.00 46.19 45.62 2k5i s LEU 61 CO 0.11 0.26 1.04 -0.13 -1.89 0.00 0.00 176.35 175.74 2k5i s ARG 62 N -0.73 1.80 -0.01 1.98 1.81 -1.26 -0.89 118.95 121.66 2k5i s ARG 62 Ca 0.09 -0.60 -0.18 0.00 -1.72 0.00 0.00 55.73 53.32 2k5i s ARG 62 Cb -0.09 -2.20 -0.10 0.00 -0.45 0.00 0.00 34.95 32.11 2k5i s ARG 62 CO -0.00 -1.45 0.84 -0.22 -0.68 0.00 0.00 175.30 173.79 2k5i h LYS 63 N -0.69 -0.63 0.00 3.54 3.64 -1.96 -0.01 116.57 120.46 2k5i h LYS 63 Ca -0.42 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2k5i h LYS 63 Cb 1.28 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2k5i h LYS 63 CO 0.49 -0.42 -0.00 0.07 -2.27 0.00 0.00 179.45 177.32 2k5i h ARG 64 N -1.01 0.00 0.00 1.90 0.11 -1.97 -1.24 114.38 112.17 2k5i h ARG 64 Ca -0.07 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.95 2k5i h ARG 64 Cb 0.50 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.57 2k5i h ARG 64 CO 0.11 0.00 -0.46 0.93 0.10 0.00 0.00 179.97 180.65 2k5i h GLU 65 N 0.00 0.00 -0.46 0.08 4.39 -1.97 -3.39 114.58 113.23 2k5i h GLU 65 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2k5i h GLU 65 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2k5i h GLU 65 CO 0.00 0.59 0.11 0.00 -1.16 0.00 0.00 179.01 178.55 2k5i h ALA 66 N -0.55 1.34 0.00 3.43 0.00 -0.66 -2.34 119.26 120.48 2k5i h ALA 66 Ca -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2k5i h ALA 66 Cb 0.77 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k5i h ALA 66 CO -0.06 0.47 0.00 -0.25 0.00 0.00 0.00 179.25 179.41 2k5i n ASP 67 N -4.30 0.00 -0.65 0.00 8.00 -0.50 -1.20 116.55 117.90 2k5i n ASP 67 Ca 0.03 0.38 0.12 0.00 0.71 0.00 0.00 54.79 56.03 2k5i n ASP 67 Cb 0.21 -0.41 0.09 0.00 -0.02 0.00 0.00 41.12 40.98 2k5i n ASP 67 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k5i n LEU 68 N -1.41 2.31 -4.39 0.64 4.77 -0.88 -4.87 117.00 113.17 2k5i n LEU 68 Ca 0.02 -0.80 -0.37 0.00 -0.03 0.00 0.00 56.01 54.82 2k5i n LEU 68 Cb 0.05 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 2k5i n LEU 68 CO 0.04 0.41 -0.26 -0.63 -1.33 0.00 0.00 177.39 175.62 2k5i s ILE 69 N -2.28 4.19 -0.01 -0.08 1.09 -0.34 -3.03 121.20 120.75 2k5i s ILE 69 Ca 0.23 -0.48 -0.24 0.00 -1.10 0.00 0.00 60.65 59.06 2k5i s ILE 69 Cb 0.19 -3.10 -0.04 0.00 -1.06 0.00 0.00 42.46 38.45 2k5i s ILE 69 CO 0.46 0.16 0.74 -0.70 -0.10 0.00 0.00 174.94 175.50 2k5i s GLU 70 N 1.56 4.46 0.41 2.79 2.56 -0.98 -3.34 118.70 126.16 2k5i s GLU 70 Ca 0.04 0.99 0.04 0.00 0.00 0.00 0.00 54.97 56.04 2k5i s GLU 70 Cb -0.16 -3.41 -0.03 0.00 2.00 0.00 0.00 34.13 32.53 2k5i s GLU 70 CO 0.03 0.16 0.12 0.14 -0.56 0.00 0.00 175.26 175.15 2k5i s VAL 71 N 0.40 0.68 -0.05 3.70 -7.23 0.44 -0.25 120.40 118.09 2k5i s VAL 71 Ca 0.39 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.51 2k5i s VAL 71 Cb -0.19 -2.38 0.01 0.00 0.56 0.00 0.00 36.38 34.39 2k5i s VAL 71 CO 0.21 0.00 0.15 -1.83 -0.31 0.00 0.00 175.10 173.31 2k5i s GLU 72 N -3.74 0.18 -0.28 4.82 -1.05 -0.63 -3.81 118.70 114.19 2k5i s GLU 72 Ca 0.24 0.19 -0.29 0.00 -0.15 0.00 0.00 54.97 54.96 2k5i s GLU 72 Cb 0.03 0.09 -0.01 0.00 -0.44 0.00 0.00 34.13 33.79 2k5i s GLU 72 CO 0.14 -0.02 1.52 0.08 0.95 0.00 0.00 175.26 177.93 2k5i s VAL 73 N 0.04 3.82 -0.08 1.83 1.01 -1.26 -0.88 120.40 124.88 2k5i s VAL 73 Ca -0.00 0.90 0.27 0.00 0.00 0.00 0.00 61.98 63.15 2k5i s VAL 73 Cb -0.01 -3.89 0.32 0.00 0.00 0.00 0.00 36.38 32.79 2k5i s VAL 73 CO 0.00 -0.42 1.79 0.58 0.00 0.00 0.00 175.10 177.05 2k5i h VAL 74 N 6.21 0.19 0.00 2.92 2.07 -1.00 -3.26 116.25 123.39 2k5i h VAL 74 Ca -0.31 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2k5i h VAL 74 Cb 1.13 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2k5i h VAL 74 CO 1.03 0.09 0.00 0.61 0.02 0.00 0.00 177.57 179.31 2k5i n GLY 75 N 0.49 1.14 5.56 2.17 0.00 -1.19 -4.89 105.19 108.47 2k5i n GLY 75 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2k5i n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5i n GLY 76 N 0.41 1.48 3.94 -0.02 0.00 -1.23 -4.80 105.19 104.97 2k5i n GLY 76 Ca 0.00 0.36 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 2k5i n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5i s GLU 77 N 0.00 3.47 -0.02 1.61 -1.05 -1.26 -4.95 118.70 116.51 2k5i s GLU 77 Ca 0.00 -0.32 -0.04 0.00 -0.15 0.00 0.00 54.97 54.47 2k5i s GLU 77 Cb 0.00 -2.65 0.00 0.00 -0.44 0.00 0.00 34.13 31.05 2k5i s GLU 77 CO 0.00 0.12 0.08 -0.48 0.95 0.00 0.00 175.26 175.93 2k5i s LEU 78 N -4.35 1.74 0.82 1.83 2.34 -0.78 -4.98 118.68 115.30 2k5i s LEU 78 Ca 0.41 -0.04 -0.13 0.00 0.06 0.00 0.00 54.13 54.43 2k5i s LEU 78 Cb -0.10 0.36 0.09 0.00 -0.56 0.00 0.00 46.19 45.99 2k5i s LEU 78 CO 0.36 -0.17 1.21 -2.16 -1.06 0.00 0.00 176.35 174.54 2k5i s PRO 79 N -0.59 1.56 0.41 1.48 0.04 -1.26 -0.86 135.00 135.78 2k5i s PRO 79 Ca -0.07 1.76 0.12 0.00 0.04 0.00 0.00 61.00 62.85 2k5i s PRO 79 Cb -0.04 -1.77 0.95 0.00 0.04 0.00 0.00 34.50 33.69 2k5i s PRO 79 CO 0.00 -2.27 1.96 1.25 0.04 0.00 0.00 177.00 177.98 2k5i h LEU 80 N -0.98 0.45 -2.48 -3.56 7.12 0.56 0.43 115.31 116.85 2k5i h LEU 80 Ca -0.46 0.01 0.01 0.00 0.13 0.00 0.00 57.88 57.57 2k5i h LEU 80 Cb 1.30 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.34 2k5i h LEU 80 CO 0.46 0.27 0.06 -0.29 -0.13 0.00 0.00 178.44 178.81 2k5i h ILE 81 N 0.50 0.40 0.00 4.05 6.09 -1.40 -0.75 117.51 126.39 2k5i h ILE 81 Ca 0.30 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.79 2k5i h ILE 81 Cb 0.51 0.95 0.00 0.00 0.47 0.00 0.00 36.82 38.75 2k5i h ILE 81 CO -0.09 0.00 -0.57 0.18 -3.07 0.00 0.00 178.15 174.60 2k5i n LEU 82 N -3.66 0.56 -4.68 2.19 4.77 0.14 -4.97 117.00 111.35 2k5i n LEU 82 Ca -0.02 -0.05 -0.45 0.00 -0.03 0.00 0.00 56.01 55.46 2k5i n LEU 82 Cb 0.15 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2k5i n LEU 82 CO 0.26 0.13 1.12 0.00 -1.33 0.00 0.00 177.39 177.57 2k5i n ALA 83 N -1.51 1.39 -0.61 -1.18 0.00 -0.29 -4.72 120.51 113.58 2k5i n ALA 83 Ca 0.05 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2k5i n ALA 83 Cb 0.34 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.46 2k5i n ALA 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k5i n ASP 84 N 2.70 0.00 -3.82 0.00 8.00 -1.26 -5.00 116.55 117.17 2k5i n ASP 84 Ca 0.14 0.11 -0.10 0.00 0.71 0.00 0.00 54.79 55.65 2k5i n ASP 84 Cb 0.31 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 2k5i n ASP 84 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2k5i s ASP 85 N -1.93 -0.06 0.00 -2.24 -4.77 -1.26 -4.54 116.67 101.87 2k5i s ASP 85 Ca 0.00 -0.62 0.00 0.00 -3.30 0.00 0.00 52.55 48.63 2k5i s ASP 85 Cb 0.00 0.45 0.00 0.00 -1.09 0.00 0.00 42.92 42.28 2k5i s ASP 85 CO 0.00 -0.87 0.00 0.61 0.70 0.00 0.00 175.17 175.61 2k5i n GLY 86 N -0.20 -1.73 3.80 2.12 0.00 -1.26 -4.89 105.19 103.02 2k5i n GLY 86 Ca -0.12 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 5.08 0.22 2.61 2.01 -1.04 -4.08 115.64 120.44 2k5i s THR 87 Ca 0.00 0.86 0.10 0.00 0.31 0.00 0.00 61.69 62.96 2k5i s THR 87 Cb 0.00 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 2k5i s THR 87 CO 0.00 0.50 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.92 2k5i s TYR 88 N -0.50 2.07 -0.15 4.92 1.51 -1.12 -0.61 117.35 123.46 2k5i s TYR 88 Ca 0.24 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2k5i s TYR 88 Cb -0.16 -0.96 -0.00 0.00 -0.11 0.00 0.00 41.96 40.73 2k5i s TYR 88 CO 0.12 0.52 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.92 2k5i s GLU 89 N -3.22 3.23 0.14 -0.62 2.12 0.68 -0.48 118.70 120.55 2k5i s GLU 89 Ca 0.23 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 2k5i s GLU 89 Cb -0.05 -2.61 -0.07 0.00 0.26 0.00 0.00 34.13 31.66 2k5i s GLU 89 CO 0.10 0.05 1.25 -1.50 -0.54 0.00 0.00 175.26 174.63 2k5i s ILE 90 N 0.72 3.61 -0.10 -3.70 2.07 -0.19 -0.47 121.20 123.15 2k5i s ILE 90 Ca -0.07 1.25 -0.01 0.00 -1.41 0.00 0.00 60.65 60.41 2k5i s ILE 90 Cb -0.16 -3.80 -0.06 0.00 0.13 0.00 0.00 42.46 38.58 2k5i s ILE 90 CO 0.01 0.15 -0.10 1.07 -1.91 0.00 0.00 174.94 174.16 2k5i n THR 91 N 3.23 0.55 -3.79 4.00 5.66 -0.24 -1.18 114.28 122.51 2k5i n THR 91 Ca 0.07 -0.19 -0.09 0.00 -3.05 0.00 0.00 64.05 60.79 2k5i n THR 91 Cb 0.44 -1.04 -0.06 0.00 -1.55 0.00 0.00 70.33 68.12 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 -2.19 1.00 0.36 1.09 -2.85 -1.13 -4.85 119.74 111.17 2k5i s LYS 92 Ca -0.13 -0.90 0.08 0.00 -1.00 0.00 0.00 55.97 54.02 2k5i s LYS 92 Cb 0.04 0.40 -0.06 0.00 -2.06 0.00 0.00 37.83 36.15 2k5i s LYS 92 CO 0.21 -0.36 0.05 -0.51 0.10 0.00 0.00 175.35 174.83 2k5i s LEU 93 N -2.86 3.00 -0.01 2.77 2.01 -1.26 -1.18 118.68 121.14 2k5i s LEU 93 Ca 0.06 -1.06 0.00 0.00 0.01 0.00 0.00 54.13 53.15 2k5i s LEU 93 Cb 0.03 -1.31 0.01 0.00 0.01 0.00 0.00 46.19 44.94 2k5i s LEU 93 CO -0.09 -0.33 -0.00 0.20 1.01 0.00 0.00 176.35 177.13 2k5i s ASN 94 N -3.76 0.27 0.00 2.29 0.01 -0.20 -4.94 114.94 108.62 2k5i s ASN 94 Ca 0.36 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.49 2k5i s ASN 94 Cb 0.02 -0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.57 2k5i s ASN 94 CO 0.20 -0.05 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 2k5i n GLY 95 N 3.63 0.97 3.97 0.66 0.00 -1.26 -4.80 105.19 108.37 2k5i n GLY 95 Ca -0.20 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 43.66 2k5i n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5i s GLY 96 N 0.00 1.76 0.52 -0.02 0.00 -1.26 -4.92 107.32 103.40 2k5i s GLY 96 Ca 0.00 -1.51 0.19 0.00 0.00 0.00 0.00 44.72 43.39 2k5i s GLY 96 CO 0.00 -0.99 2.13 0.07 0.00 0.00 0.00 173.10 174.31 2k5i h ARG 97 N -0.56 0.00 -0.66 2.90 -0.00 -2.00 0.19 114.38 114.25 2k5i h ARG 97 Ca -0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.56 2k5i h ARG 97 Cb 1.27 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.21 2k5i h ARG 97 CO 0.44 0.05 0.30 0.07 -0.00 0.00 0.00 179.97 180.83 2k5i h ARG 98 N 0.00 0.94 -0.05 0.08 0.11 -1.99 -0.96 114.38 112.51 2k5i h ARG 98 Ca -0.00 -0.13 -0.01 0.00 0.10 0.00 0.00 59.98 59.94 2k5i h ARG 98 Cb 0.09 -0.17 -0.00 0.00 1.11 0.00 0.00 29.97 30.99 2k5i h ARG 98 CO 0.01 0.74 0.00 0.35 0.10 0.00 0.00 179.97 181.17 2k5i h PHE 99 N 0.94 0.09 -0.23 4.08 3.57 -1.34 -2.08 116.94 121.96 2k5i h PHE 99 Ca 0.23 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.75 2k5i h PHE 99 Cb 0.12 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 2k5i h PHE 99 CO 0.01 0.35 0.03 -0.07 -2.23 0.00 0.00 178.31 176.40 2k5i h LEU 100 N -0.20 -0.03 0.07 0.59 3.38 -1.25 -0.73 115.31 117.15 2k5i h LEU 100 Ca 0.01 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2k5i h LEU 100 Cb 0.31 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2k5i h LEU 100 CO 0.00 0.02 -0.17 0.15 0.09 0.00 0.00 178.44 178.53 2k5i h PHE 101 N 0.11 -0.44 0.36 1.13 3.57 -1.18 -2.45 116.94 118.04 2k5i h PHE 101 Ca 0.11 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2k5i h PHE 101 Cb 0.12 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2k5i h PHE 101 CO -0.17 -0.25 -0.18 0.00 -2.23 0.00 0.00 178.31 175.48 2k5i h ARG 102 N -0.31 -0.48 -0.69 1.11 3.08 -1.21 -3.16 114.38 112.71 2k5i h ARG 102 Ca 0.03 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.15 2k5i h ARG 102 Cb 0.35 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 2k5i h ARG 102 CO -0.11 -0.32 0.46 0.52 -1.07 0.00 0.00 179.97 179.44 2k5i h MET 103 N -0.50 0.80 -0.22 0.04 2.86 -1.09 -0.03 114.93 116.78 2k5i h MET 103 Ca -0.05 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2k5i h MET 103 Cb 0.39 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2k5i h MET 103 CO 0.07 0.53 0.06 0.87 1.06 0.00 0.00 176.91 179.50 2k5i h LYS 104 N 0.82 0.32 0.00 1.72 1.57 -1.29 0.10 116.57 119.80 2k5i h LYS 104 Ca 0.28 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.96 2k5i h LYS 104 Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2k5i h LYS 104 CO -0.08 0.30 -0.31 -0.91 -0.57 0.00 0.00 179.45 177.88 2k5i h ASN 105 N 0.32 0.00 0.65 0.86 2.35 -1.01 -3.22 115.58 115.53 2k5i h ASN 105 Ca 0.08 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.56 2k5i h ASN 105 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2k5i h ASN 105 CO -0.00 0.31 -1.29 -0.07 -1.65 0.00 0.00 177.43 174.72 2k5i h LEU 106 N 0.00 0.31 0.00 1.61 -0.00 -0.73 -3.48 115.31 113.02 2k5i h LEU 106 Ca -0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 2k5i h LEU 106 Cb 1.12 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 2k5i h LEU 106 CO 0.04 1.29 0.00 0.61 -0.00 0.00 0.00 178.44 180.38 2k5i n GLY 107 N 1.53 0.50 3.56 0.83 0.00 -0.10 -4.84 105.19 106.68 2k5i n GLY 107 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.13 4.86 0.16 -0.61 -0.00 -0.51 -4.84 121.20 120.13 2k5i s ILE 108 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 2k5i s ILE 108 Cb 0.00 -3.27 0.00 0.00 -0.00 0.00 0.00 42.46 39.19 2k5i s ILE 108 CO 0.00 0.34 0.00 -1.84 -0.00 0.00 0.00 174.94 173.44 2k5i n GLU 109 N 4.60 0.00 -3.65 0.37 0.28 -1.26 -2.87 120.64 118.10 2k5i n GLU 109 Ca -0.15 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.82 2k5i n GLU 109 Cb 0.52 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.32 2k5i n GLU 109 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2k5i s SER 110 N -2.79 -0.14 0.00 -1.84 1.04 -1.26 -4.74 113.70 103.97 2k5i s SER 110 Ca 0.00 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2k5i s SER 110 Cb 0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2k5i s SER 110 CO 0.00 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2k5i n GLY 111 N 2.06 2.75 3.76 7.32 0.00 -0.33 -4.97 105.19 115.78 2k5i n GLY 111 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 3.47 -0.16 1.61 -0.14 -1.26 -4.66 119.74 118.59 2k5i s LYS 112 Ca 0.00 2.04 -0.08 0.00 -1.36 0.00 0.00 55.97 56.58 2k5i s LYS 112 Cb 0.00 -2.37 -0.04 0.00 -1.68 0.00 0.00 37.83 33.74 2k5i s LYS 112 CO 0.00 -0.87 0.11 0.15 -0.76 0.00 0.00 175.35 173.98 2k5i s LYS 113 N -2.76 3.81 -0.16 1.68 3.01 -1.26 -1.02 119.74 123.04 2k5i s LYS 113 Ca 0.67 -0.23 -0.07 0.00 -1.01 0.00 0.00 55.97 55.32 2k5i s LYS 113 Cb -0.35 -3.25 -0.04 0.00 -1.01 0.00 0.00 37.83 33.17 2k5i s LYS 113 CO 0.43 0.48 0.10 -1.50 0.51 0.00 0.00 175.35 175.37 2k5i s ILE 114 N -0.19 5.14 -0.32 2.17 1.10 0.36 -4.55 121.20 124.91 2k5i s ILE 114 Ca 0.10 0.08 -0.11 0.00 -0.51 0.00 0.00 60.65 60.21 2k5i s ILE 114 Cb -0.12 -3.29 -0.02 0.00 0.15 0.00 0.00 42.46 39.19 2k5i s ILE 114 CO 0.01 0.52 0.20 -1.10 -2.11 0.00 0.00 174.94 172.45 2k5i s GLN 115 N -0.18 3.47 -0.45 3.50 -1.52 0.38 -2.79 119.66 122.07 2k5i s GLN 115 Ca 0.09 -0.64 -0.14 0.00 -1.95 0.00 0.00 55.36 52.71 2k5i s GLN 115 Cb -0.12 -3.69 0.07 0.00 -0.22 0.00 0.00 33.01 29.05 2k5i s GLN 115 CO 0.01 -0.41 0.36 0.08 -0.25 0.00 0.00 175.29 175.08 2k5i s VAL 116 N 1.68 5.05 -0.05 1.09 1.01 -1.26 -1.35 120.40 126.58 2k5i s VAL 116 Ca 0.06 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 2k5i s VAL 116 Cb -0.17 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.24 2k5i s VAL 116 CO 0.09 -0.53 0.01 -0.55 0.00 0.00 0.00 175.10 174.12 2k5i s SER 117 N 2.39 0.99 -1.51 3.32 0.15 -0.54 -4.65 113.70 113.84 2k5i s SER 117 Ca 0.04 -0.02 -0.05 0.00 0.70 0.00 0.00 55.95 56.61 2k5i s SER 117 Cb -0.23 -0.28 0.01 0.00 -1.71 0.00 0.00 66.02 63.80 2k5i s SER 117 CO 0.06 -0.16 0.70 0.61 1.20 0.00 0.00 173.24 175.65 2k5i n GLY 118 N 4.73 -0.51 2.53 9.45 0.00 -1.26 -0.92 105.19 119.22 2k5i n GLY 118 Ca -0.15 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.16 -1.60 -3.94 1.61 3.00 -1.26 -4.98 116.66 105.33 2k5i n ARG 119 Ca -0.09 0.84 -0.26 0.00 -0.01 0.00 0.00 57.85 58.32 2k5i n ARG 119 Cb 0.61 -5.12 -0.03 0.00 0.00 0.00 0.00 32.46 27.92 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 -2.88 3.44 -0.18 5.56 0.52 -0.09 -5.11 118.95 120.20 2k5i s ARG 120 Ca 0.00 -0.59 0.01 0.00 -0.52 0.00 0.00 55.73 54.63 2k5i s ARG 120 Cb 0.00 -2.97 0.02 0.00 0.52 0.00 0.00 34.95 32.52 2k5i s ARG 120 CO 0.00 0.53 -0.20 0.71 0.02 0.00 0.00 175.30 176.36 2k5i s TYR 121 N -1.73 2.76 -0.03 -0.53 2.02 -1.26 -1.47 117.35 117.12 2k5i s TYR 121 Ca 0.35 -1.63 0.05 0.00 -0.37 0.00 0.00 57.07 55.47 2k5i s TYR 121 Cb -0.11 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 2k5i s TYR 121 CO 0.28 -0.80 -0.17 0.71 -1.57 0.00 0.00 175.55 174.00 2k5i s TYR 122 N 1.27 1.64 -0.09 2.71 1.51 -0.45 -0.42 117.35 123.52 2k5i s TYR 122 Ca 0.04 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 2k5i s TYR 122 Cb -0.13 -1.08 0.03 0.00 -0.11 0.00 0.00 41.96 40.67 2k5i s TYR 122 CO -0.12 -0.09 -0.01 0.42 -1.11 0.00 0.00 175.55 174.63 2k5i s ILE 123 N -0.19 0.53 -1.47 2.71 1.01 0.28 -0.47 121.20 123.61 2k5i s ILE 123 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2k5i s ILE 123 Cb -0.09 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2k5i s ILE 123 CO 0.01 0.26 0.00 -0.62 0.00 0.00 0.00 174.94 174.59 2k5i n GLU 124 N 5.10 -1.91 -0.22 2.79 1.02 -1.26 -1.19 120.64 124.97 2k5i n GLU 124 Ca -0.08 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 2k5i n GLU 124 Cb 0.50 -5.45 0.00 0.00 -0.02 0.00 0.00 31.44 26.47 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 -0.89 0.62 3.25 0.62 0.00 -1.26 -5.06 105.19 102.46 2k5i n GLY 125 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2k5i n GLY 125 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k5i s ARG 126 N -0.78 3.17 0.23 1.61 3.52 -0.33 -5.11 118.95 121.26 2k5i s ARG 126 Ca 0.00 -0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 54.52 2k5i s ARG 126 Cb 0.00 -2.56 -0.09 0.00 -1.56 0.00 0.00 34.95 30.75 2k5i s ARG 126 CO 0.00 0.04 1.18 -1.83 -0.81 0.00 0.00 175.30 173.88 2k5i s GLU 127 N 0.74 4.52 -0.03 5.12 -1.05 -1.26 -0.56 118.70 126.18 2k5i s GLU 127 Ca -0.07 1.90 -0.08 0.00 -0.15 0.00 0.00 54.97 56.56 2k5i s GLU 127 Cb -0.16 -3.20 -0.05 0.00 -0.44 0.00 0.00 34.13 30.28 2k5i s GLU 127 CO 0.01 -0.01 0.26 0.42 0.95 0.00 0.00 175.26 176.89 2k5i s ILE 128 N -0.52 5.30 -1.25 1.83 -1.09 0.44 -4.93 121.20 120.97 2k5i s ILE 128 Ca 0.50 0.32 -0.17 0.00 -2.23 0.00 0.00 60.65 59.07 2k5i s ILE 128 Cb -0.33 -3.55 0.11 0.00 -1.58 0.00 0.00 42.46 37.10 2k5i s ILE 128 CO 0.40 0.48 1.61 -0.62 -1.23 0.00 0.00 174.94 175.58 2k5i s ASP 129 N -1.39 6.91 -0.32 3.58 2.15 -1.26 -4.69 116.67 121.65 2k5i s ASP 129 Ca 0.23 -2.60 0.02 0.00 0.43 0.00 0.00 52.55 50.64 2k5i s ASP 129 Cb -0.14 -2.51 0.08 0.00 -0.30 0.00 0.00 42.92 40.05 2k5i s ASP 129 CO 0.12 -1.03 0.01 -0.76 -0.17 0.00 0.00 175.17 173.34 2k5i s LEU 130 N 3.30 4.28 0.00 -1.34 1.43 -1.26 -4.97 118.68 120.12 2k5i s LEU 130 Ca 0.49 -1.80 0.00 0.00 -1.03 0.00 0.00 54.13 51.80 2k5i s LEU 130 Cb 0.01 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.60 2k5i s LEU 130 CO 0.04 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.91 2k5i n GLY 131 N 4.38 0.46 0.26 -3.19 0.00 -1.26 -4.77 105.19 101.07 2k5i n GLY 131 Ca -0.04 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.16 -0.54 -0.23 1.61 5.03 -1.99 0.39 116.97 121.07 2k5i h TYR 132 Ca 0.00 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.26 2k5i h TYR 132 Cb 0.00 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 2k5i h TYR 132 CO 0.00 -0.26 -0.01 0.78 -1.32 0.00 0.00 178.16 177.35 2k5i h GLY 133 N -0.74 0.37 1.13 1.82 0.00 -2.00 -2.72 103.07 100.93 2k5i h GLY 133 Ca -0.06 -0.20 -0.25 0.00 0.00 0.00 0.00 47.33 46.82 2k5i h GLY 133 CO 0.10 0.19 -1.00 0.83 0.00 0.00 0.00 176.54 176.65 2k5i h GLU 134 N 0.34 0.64 0.00 4.80 4.39 -1.91 -3.31 114.58 119.52 2k5i h GLU 134 Ca 0.08 -0.72 -0.01 0.00 0.34 0.00 0.00 59.36 59.05 2k5i h GLU 134 Cb 0.25 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2k5i h GLU 134 CO 0.01 1.30 -0.04 0.00 -1.16 0.00 0.00 179.01 179.12 2k5i h ALA 135 N 0.36 1.75 0.00 3.43 0.00 -0.61 0.08 119.26 124.27 2k5i h ALA 135 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k5i h ALA 135 Cb 1.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2k5i h ALA 135 CO 0.20 0.05 -0.02 -2.37 0.00 0.00 0.00 179.25 177.10 2k5i n THR 136 N -4.22 0.02 0.04 0.00 5.66 -1.10 -1.16 114.28 113.52 2k5i n THR 136 Ca -0.03 -0.01 -0.14 0.00 -3.05 0.00 0.00 64.05 60.82 2k5i n THR 136 Cb 0.12 -0.47 -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 0.11 -3.05 0.00 0.00 175.07 172.13 2k5i h LYS 137 N 0.00 0.16 -5.81 1.09 1.57 -1.08 -3.45 116.57 109.05 2k5i h LYS 137 Ca 0.00 -0.28 -0.58 0.00 -1.87 0.00 0.00 60.65 57.92 2k5i h LYS 137 Cb 0.51 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 2k5i h LYS 137 CO 0.00 0.97 0.15 0.42 -0.57 0.00 0.00 179.45 180.43 2k5i s ILE 138 N -2.62 5.01 -0.17 1.86 1.09 -1.19 -1.03 121.20 124.15 2k5i s ILE 138 Ca -0.07 1.32 -0.04 0.00 -1.10 0.00 0.00 60.65 60.75 2k5i s ILE 138 Cb 0.08 -4.00 -0.03 0.00 -1.06 0.00 0.00 42.46 37.45 2k5i s ILE 138 CO 0.84 0.14 -0.02 0.26 -0.10 0.00 0.00 174.94 176.06 2k5i s TRP 139 N 1.63 3.06 0.26 3.97 0.52 -0.33 -0.10 118.94 127.95 2k5i s TRP 139 Ca 0.32 -0.28 0.04 0.00 0.02 0.00 0.00 56.10 56.20 2k5i s TRP 139 Cb -0.16 -1.99 -0.06 0.00 -1.15 0.00 0.00 33.47 30.11 2k5i s TRP 139 CO 0.12 -0.05 0.01 0.14 0.02 0.00 0.00 176.95 177.20 2k5i s VAL 140 N 0.47 1.12 -0.01 4.03 -7.23 -0.04 -1.08 120.40 117.66 2k5i s VAL 140 Ca -0.02 -2.03 0.06 0.00 -1.81 0.00 0.00 61.98 58.17 2k5i s VAL 140 Cb -0.14 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 2k5i s VAL 140 CO 0.02 -0.21 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.28 2k5i s ARG 141 N -3.87 1.52 -0.15 4.82 0.52 0.38 -1.86 118.95 120.31 2k5i s ARG 141 Ca 0.31 -0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 54.53 2k5i s ARG 141 Cb 0.06 -1.48 -0.01 0.00 0.52 0.00 0.00 34.95 34.04 2k5i s ARG 141 CO 0.11 0.40 1.17 0.50 0.02 0.00 0.00 175.30 177.51 2k5i s ARG 142 N -0.52 4.29 -0.04 3.54 3.52 -1.26 -0.23 118.95 128.24 2k5i s ARG 142 Ca 0.07 1.57 0.16 0.00 -0.13 0.00 0.00 55.73 57.40 2k5i s ARG 142 Cb -0.07 -3.66 -0.24 0.00 -1.56 0.00 0.00 34.95 29.41 2k5i s ARG 142 CO -0.00 -0.59 0.30 1.33 -0.81 0.00 0.00 175.30 175.53 2k5i n VAL 143 N 5.09 0.16 0.00 7.11 0.24 -0.80 -4.93 118.33 125.21 2k5i n VAL 143 Ca 0.12 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2k5i n VAL 143 Cb 0.46 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 -2.14 0.00 0.00 -1.34 2.88 0.22 -4.85 113.62 108.39 2k5i n SER 144 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2k5i n SER 144 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2k5i n SER 144 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k5i n ASP 145 N 2.32 0.00 -4.77 -3.46 2.03 -1.26 -2.50 116.55 108.91 2k5i n ASP 145 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 2k5i n ASP 145 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 2k5i n ASP 145 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5i s ALA 146 N 0.00 3.26 -0.50 -1.67 0.00 -1.26 -4.91 121.76 116.69 2k5i s ALA 146 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 51.96 53.45 2k5i s ALA 146 Cb 0.00 -3.58 0.30 0.00 0.00 0.00 0.00 23.12 19.84 2k5i s ALA 146 CO 0.00 -1.15 1.14 0.41 0.00 0.00 0.00 175.76 176.16 2k5i n GLY 147 N 0.58 2.45 3.92 0.00 0.00 -1.26 -4.90 105.19 105.98 2k5i n GLY 147 Ca 0.05 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 2k5i n GLY 147 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5i s GLU 148 N -1.55 3.55 0.01 1.61 0.41 -1.26 -5.03 118.70 116.43 2k5i s GLU 148 Ca 0.22 -0.25 -0.30 0.00 -0.41 0.00 0.00 54.97 54.23 2k5i s GLU 148 Cb 0.18 -2.79 -0.08 0.00 -1.78 0.00 0.00 34.13 29.66 2k5i s GLU 148 CO 0.06 0.35 1.87 -1.21 -0.49 0.00 0.00 175.26 175.84 2k5i s GLU 149 N -3.38 4.15 0.16 1.61 8.01 -1.26 -4.95 118.70 123.03 2k5i s GLU 149 Ca 0.40 2.48 -0.30 0.00 0.01 0.00 0.00 54.97 57.55 2k5i s GLU 149 Cb -0.11 -4.11 -0.07 0.00 -4.31 0.00 0.00 34.13 25.53 2k5i s GLU 149 CO 0.29 -0.93 1.04 -1.12 0.01 0.00 0.00 175.26 174.55 2k5i s SER 150 N 4.13 7.38 -0.17 -0.19 0.01 -1.26 -5.05 113.70 118.54 2k5i s SER 150 Ca 0.84 1.98 -0.06 0.00 1.31 0.00 0.00 55.95 60.02 2k5i s SER 150 Cb -0.40 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.31 2k5i s SER 150 CO 0.38 -0.14 0.36 -1.00 0.41 0.00 0.00 173.24 173.25 2k5i s HIS 151 N -0.26 -0.64 0.16 2.43 3.76 -1.26 -5.15 115.29 114.34 2k5i s HIS 151 Ca 0.48 1.29 -0.30 0.00 -0.15 0.00 0.00 55.06 56.37 2k5i s HIS 151 Cb -0.27 0.17 -0.08 0.00 1.11 0.00 0.00 32.58 33.51 2k5i s HIS 151 CO 0.33 -0.42 1.28 -2.14 -0.85 0.00 0.00 174.74 172.95 2k5i s PRO 152 N 2.42 4.40 -0.49 8.40 0.02 -1.26 -4.78 135.00 143.71 2k5i s PRO 152 Ca -0.01 1.98 -0.21 0.00 0.02 0.00 0.00 61.00 62.77 2k5i s PRO 152 Cb -0.12 -3.23 0.04 0.00 0.02 0.00 0.00 34.50 31.21 2k5i s PRO 152 CO -0.11 -0.25 0.72 -0.65 -0.33 0.00 0.00 177.00 176.38 2k5i s GLN 153 N 0.24 3.25 -0.09 5.54 -1.52 -1.26 -5.04 119.66 120.77 2k5i s GLN 153 Ca 0.58 -0.49 -0.21 0.00 -1.95 0.00 0.00 55.36 53.28 2k5i s GLN 153 Cb -0.35 -4.02 -0.04 0.00 -0.22 0.00 0.00 33.01 28.38 2k5i s GLN 153 CO 0.35 -1.20 0.59 0.15 -0.25 0.00 0.00 175.29 174.93 2k5i s LYS 154 N 3.07 4.39 0.30 2.91 1.02 -1.26 -5.05 119.74 125.11 2k5i s LYS 154 Ca 0.23 0.67 -0.04 0.00 0.02 0.00 0.00 55.97 56.85 2k5i s LYS 154 Cb -0.15 -3.44 0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2k5i s LYS 154 CO 0.17 0.11 0.46 1.47 -0.92 0.00 0.00 175.35 176.63 2k5i n LEU 155 N 3.74 0.00 -4.95 3.17 -0.00 -1.26 -5.18 117.00 112.51 2k5i n LEU 155 Ca -0.04 -2.33 -0.23 0.00 -0.00 0.00 0.00 56.01 53.41 2k5i n LEU 155 Cb 0.51 2.33 -0.02 0.00 -0.00 0.00 0.00 43.42 46.24 2k5i n LEU 155 CO 0.45 -0.58 0.04 -1.83 -0.00 0.00 0.00 177.39 175.47 2k5i s GLU 156 N -2.55 3.46 0.36 1.47 -1.05 -1.26 -4.98 118.70 114.16 2k5i s GLU 156 Ca 0.22 -0.56 0.07 0.00 -0.15 0.00 0.00 54.97 54.55 2k5i s GLU 156 Cb -0.01 -2.81 -0.01 0.00 -0.44 0.00 0.00 34.13 30.86 2k5i s GLU 156 CO 0.16 0.33 0.48 -3.38 0.95 0.00 0.00 175.26 173.80 2k5i s HIS 157 N -2.08 3.02 0.37 4.83 -3.43 -1.26 -5.14 115.29 111.60 2k5i s HIS 157 Ca 0.37 -0.27 0.08 0.00 -0.80 0.00 0.00 55.06 54.43 2k5i s HIS 157 Cb -0.09 -2.08 -0.03 0.00 -1.43 0.00 0.00 32.58 28.95 2k5i s HIS 157 CO 0.31 -0.10 0.28 -1.01 -2.00 0.00 0.00 174.74 172.22 2k5i s HIS 158 N -2.23 2.78 0.69 0.38 3.76 -1.26 -5.03 115.29 114.38 2k5i s HIS 158 Ca 0.47 -0.40 -0.16 0.00 -0.15 0.00 0.00 55.06 54.82 2k5i s HIS 158 Cb -0.09 -1.88 0.02 0.00 1.11 0.00 0.00 32.58 31.73 2k5i s HIS 158 CO 0.31 0.13 1.21 -1.01 -0.85 0.00 0.00 174.74 174.53 2k5i s HIS 159 N -2.40 2.16 0.02 1.40 3.76 -1.26 -4.88 115.29 114.09 2k5i s HIS 159 Ca 0.42 1.57 -0.28 0.00 -0.15 0.00 0.00 55.06 56.62 2k5i s HIS 159 Cb -0.04 -3.48 0.08 0.00 1.11 0.00 0.00 32.58 30.26 2k5i s HIS 159 CO 0.26 -2.50 0.69 -3.38 -0.85 0.00 0.00 174.74 168.96 2k5i s HIS 160 N -1.87 -0.57 0.77 1.40 -3.43 -1.14 -4.84 115.29 105.61 2k5i s HIS 160 Ca 0.75 0.74 -0.14 0.00 -0.80 0.00 0.00 55.06 55.61 2k5i s HIS 160 Cb -0.30 0.48 0.06 0.00 -1.43 0.00 0.00 32.58 31.39 2k5i s HIS 160 CO 0.42 -0.67 1.23 -1.58 -2.00 0.00 0.00 174.74 172.14 2k5i s HIS 161 N -2.23 1.87 -2.00 0.38 5.65 -1.25 0.18 115.29 117.90 2k5i s HIS 161 Ca -0.05 1.62 0.09 0.00 0.25 0.00 0.00 55.06 56.98 2k5i s HIS 161 Cb -0.00 -3.54 0.55 0.00 -1.18 0.00 0.00 32.58 28.40 2k5i s HIS 161 CO -0.00 -2.87 0.99 1.58 -0.65 0.00 0.00 174.74 173.79