#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 3.81 0.00 3.17 3.01 -1.26 -1.61 119.74 126.86 2k5i s LYS 2 Ca 0.00 0.87 0.29 0.00 -1.01 0.00 0.00 55.97 56.12 2k5i s LYS 2 Cb 0.00 -2.12 1.22 0.00 -1.01 0.00 0.00 37.83 35.92 2k5i s LYS 2 CO 0.00 -0.38 1.90 1.47 0.51 0.00 0.00 175.35 178.85 2k5i n LEU 3 N -2.03 0.05 -0.63 3.17 -0.00 -0.99 -4.11 117.00 112.46 2k5i n LEU 3 Ca 0.06 0.41 0.00 0.00 -0.00 0.00 0.00 56.01 56.49 2k5i n LEU 3 Cb 0.54 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 2k5i n LEU 3 CO 0.51 0.01 0.18 -1.54 -0.00 0.00 0.00 177.39 176.55 2k5i n SER 4 N -1.45 0.85 -0.19 1.45 3.41 -1.26 -2.58 113.62 113.85 2k5i n SER 4 Ca 0.08 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 2k5i n SER 4 Cb 0.32 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2k5i n SER 4 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2k5i n ARG 5 N 0.34 0.00 -2.13 4.33 1.85 -1.26 -4.94 116.66 114.85 2k5i n ARG 5 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2k5i n ARG 5 Cb 0.18 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.58 2k5i n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2k5i s LEU 6 N 0.00 3.50 0.06 2.89 1.02 -1.06 -4.94 118.68 120.15 2k5i s LEU 6 Ca 0.00 1.67 -0.26 0.00 0.02 0.00 0.00 54.13 55.56 2k5i s LEU 6 Cb 0.00 -4.52 -0.06 0.00 0.02 0.00 0.00 46.19 41.64 2k5i s LEU 6 CO 0.00 -0.93 0.82 -0.69 0.02 0.00 0.00 176.35 175.57 2k5i s VAL 7 N -2.63 4.67 0.06 -1.59 1.01 -1.26 -4.98 120.40 115.68 2k5i s VAL 7 Ca 0.61 1.76 -0.34 0.00 0.00 0.00 0.00 61.98 64.01 2k5i s VAL 7 Cb -0.13 -4.18 -0.13 0.00 0.00 0.00 0.00 36.38 31.95 2k5i s VAL 7 CO 0.37 0.35 1.71 -0.81 0.00 0.00 0.00 175.10 176.72 2k5i n PRO 8 N 2.81 2.17 0.00 2.72 -0.04 -1.26 -1.74 135.00 139.66 2k5i n PRO 8 Ca -0.01 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 2k5i n PRO 8 Cb 0.50 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 2k5i n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k5i n GLY 9 N 3.84 0.32 3.63 0.55 0.00 0.59 -4.99 105.19 109.13 2k5i n GLY 9 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2k5i n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5i s VAL 10 N -2.00 5.06 0.14 1.61 1.01 -0.71 -4.96 120.40 120.56 2k5i s VAL 10 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 2k5i s VAL 10 Cb 0.00 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 2k5i s VAL 10 CO 0.00 0.09 0.94 -2.16 0.00 0.00 0.00 175.10 173.97 2k5i s PRO 11 N 2.22 4.73 0.38 2.72 0.04 -1.26 -3.39 135.00 140.43 2k5i s PRO 11 Ca 0.23 1.44 0.06 0.00 0.04 0.00 0.00 61.00 62.76 2k5i s PRO 11 Cb -0.16 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 2k5i s PRO 11 CO 0.09 0.31 0.22 0.00 0.04 0.00 0.00 177.00 177.66 2k5i s ALA 12 N -0.35 2.42 -0.05 8.56 0.00 0.93 -0.54 121.76 132.73 2k5i s ALA 12 Ca 0.45 -1.64 -0.04 0.00 0.00 0.00 0.00 51.96 50.72 2k5i s ALA 12 Cb -0.24 1.15 0.01 0.00 0.00 0.00 0.00 23.12 24.05 2k5i s ALA 12 CO 0.30 -0.52 0.12 0.50 0.00 0.00 0.00 175.76 176.16 2k5i s ARG 13 N -3.53 0.13 0.06 0.00 3.52 0.11 -0.34 118.95 118.89 2k5i s ARG 13 Ca 0.32 0.18 -0.31 0.00 -0.13 0.00 0.00 55.73 55.80 2k5i s ARG 13 Cb 0.02 0.04 -0.08 0.00 -1.56 0.00 0.00 34.95 33.37 2k5i s ARG 13 CO 0.22 -0.03 1.60 0.42 -0.81 0.00 0.00 175.30 176.70 2k5i s ILE 14 N 0.19 3.15 -0.11 4.11 -1.09 0.17 -0.75 121.20 126.87 2k5i s ILE 14 Ca -0.01 0.61 -0.12 0.00 -2.23 0.00 0.00 60.65 58.90 2k5i s ILE 14 Cb -0.02 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 2k5i s ILE 14 CO -0.01 0.00 -0.23 0.29 -1.23 0.00 0.00 174.94 173.77 2k5i n LYS 15 N 5.48 0.34 -3.91 2.79 4.76 -0.12 -0.93 118.16 126.58 2k5i n LYS 15 Ca 0.15 0.14 -0.11 0.00 -2.87 0.00 0.00 58.31 55.62 2k5i n LYS 15 Cb 0.41 -1.09 -0.11 0.00 -1.84 0.00 0.00 35.03 32.40 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 -2.28 0.35 -0.30 1.97 1.70 -0.78 -4.58 118.95 115.02 2k5i s ARG 16 Ca -0.19 -0.38 -0.06 0.00 -0.47 0.00 0.00 55.73 54.64 2k5i s ARG 16 Cb 0.03 0.14 0.02 0.00 -0.57 0.00 0.00 34.95 34.57 2k5i s ARG 16 CO 0.28 -0.07 0.06 -0.51 -1.08 0.00 0.00 175.30 173.98 2k5i s LEU 17 N -1.14 3.89 -0.01 -1.89 1.02 -1.26 -0.84 118.68 118.45 2k5i s LEU 17 Ca -0.12 -0.90 0.01 0.00 0.02 0.00 0.00 54.13 53.13 2k5i s LEU 17 Cb -0.07 -1.83 0.04 0.00 0.02 0.00 0.00 46.19 44.34 2k5i s LEU 17 CO 0.00 -0.23 0.71 -0.62 0.02 0.00 0.00 176.35 176.24 2k5i n GLU 18 N 4.80 1.15 -4.06 1.70 1.02 0.53 -4.79 120.64 120.99 2k5i n GLU 18 Ca -0.14 -0.14 -0.13 0.00 -0.02 0.00 0.00 57.16 56.73 2k5i n GLU 18 Cb 0.46 -1.37 -0.12 0.00 -0.02 0.00 0.00 31.44 30.39 2k5i n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k5i s VAL 19 N -1.37 0.39 0.17 2.62 0.11 -1.26 -5.04 120.40 116.01 2k5i s VAL 19 Ca 0.03 -0.72 0.03 0.00 -2.93 0.00 0.00 61.98 58.39 2k5i s VAL 19 Cb 0.02 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.39 2k5i s VAL 19 CO 0.01 -0.23 -0.04 -0.55 -3.33 0.00 0.00 175.10 170.96 2k5i s SER 20 N -1.01 1.49 1.30 3.54 0.15 -1.26 -4.57 113.70 113.34 2k5i s SER 20 Ca -0.07 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2k5i s SER 20 Cb -0.07 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2k5i s SER 20 CO -0.00 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2k5i n GLY 21 N -0.23 2.84 0.29 9.45 0.00 -1.26 -4.17 105.19 112.11 2k5i n GLY 21 Ca -0.08 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.67 2k5i n GLY 21 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k5i h GLU 22 N 0.00 -0.00 0.04 1.61 5.08 -2.01 0.10 114.58 119.40 2k5i h GLU 22 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 2k5i h GLU 22 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2k5i h GLU 22 CO 0.00 -0.00 -1.18 1.25 -1.00 0.00 0.00 179.01 178.08 2k5i h LEU 23 N -0.00 0.13 -0.49 1.33 5.85 -1.95 -3.32 115.31 116.85 2k5i h LEU 23 Ca 0.37 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2k5i h LEU 23 Cb 0.57 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2k5i h LEU 23 CO -0.81 1.12 0.32 -0.74 -0.34 0.00 0.00 178.44 178.00 2k5i h HIS 24 N 0.02 0.63 -0.17 1.25 2.76 -1.04 0.28 115.15 118.88 2k5i h HIS 24 Ca -0.09 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.03 2k5i h HIS 24 Cb 1.86 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.60 2k5i h HIS 24 CO 0.02 0.41 -0.16 1.05 -1.30 0.00 0.00 177.93 177.94 2k5i h GLU 25 N 0.67 0.28 -0.23 5.26 4.11 -1.38 -0.58 114.58 122.71 2k5i h GLU 25 Ca 0.18 -0.08 -0.04 0.00 0.07 0.00 0.00 59.36 59.50 2k5i h GLU 25 Cb -0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2k5i h GLU 25 CO -0.04 0.45 -0.01 -0.22 0.07 0.00 0.00 179.01 179.27 2k5i h LYS 26 N 0.27 0.42 0.01 1.06 3.64 -1.49 -2.46 116.57 118.01 2k5i h LYS 26 Ca 0.05 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2k5i h LYS 26 Cb 0.45 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2k5i h LYS 26 CO 0.03 0.60 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.73 2k5i h LEU 27 N 0.18 -0.01 -1.34 5.20 3.38 -0.48 -2.47 115.31 119.76 2k5i h LEU 27 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2k5i h LEU 27 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2k5i h LEU 27 CO 0.01 0.09 0.29 -0.37 0.09 0.00 0.00 178.44 178.55 2k5i h VAL 28 N -0.12 1.17 0.00 1.22 -1.51 -1.20 0.31 116.25 116.12 2k5i h VAL 28 Ca -0.00 -0.43 -0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2k5i h VAL 28 Cb 0.11 0.45 -0.00 0.00 -2.13 0.00 0.00 31.29 29.73 2k5i h VAL 28 CO 0.00 0.19 -0.01 1.23 -1.23 0.00 0.00 177.57 177.75 2k5i h GLY 29 N 0.82 0.00 0.49 5.19 0.00 -1.14 -1.23 103.07 107.20 2k5i h GLY 29 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2k5i h GLY 29 CO -0.03 0.00 -1.07 1.03 0.00 0.00 0.00 176.54 176.47 2k5i n MET 30 N -4.32 0.27 0.00 4.80 2.81 -0.31 -4.99 117.12 115.38 2k5i n MET 30 Ca -0.03 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2k5i n MET 30 Cb 0.09 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 2k5i n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k5i n GLY 31 N 1.38 1.58 3.49 3.03 0.00 0.87 -4.92 105.19 110.62 2k5i n GLY 31 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 2.89 0.02 1.61 0.40 0.06 -4.91 117.98 116.06 2k5i s PHE 32 Ca 0.00 -1.15 0.01 0.00 -0.60 0.00 0.00 56.93 55.19 2k5i s PHE 32 Cb 0.00 -4.43 -0.02 0.00 0.51 0.00 0.00 43.02 39.08 2k5i s PHE 32 CO 0.00 -1.66 -0.05 0.14 0.70 0.00 0.00 175.22 174.35 2k5i s VAL 33 N 3.57 0.32 -0.02 -0.44 -7.23 -1.26 -4.27 120.40 111.07 2k5i s VAL 33 Ca 0.37 -0.81 -0.37 0.00 -1.81 0.00 0.00 61.98 59.36 2k5i s VAL 33 Cb -0.04 -0.39 -0.15 0.00 0.56 0.00 0.00 36.38 36.36 2k5i s VAL 33 CO -0.09 -0.33 1.56 -2.65 -0.31 0.00 0.00 175.10 173.29 2k5i n PRO 34 N 1.85 1.47 0.00 4.82 -0.02 -1.26 -2.47 135.00 139.39 2k5i n PRO 34 Ca -0.21 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2k5i n PRO 34 Cb 0.56 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 3.37 1.23 3.76 -1.23 0.00 -0.11 -5.00 105.19 107.22 2k5i n GLY 35 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.52 4.51 0.28 1.61 0.41 -1.03 -4.82 118.70 119.13 2k5i s GLU 36 Ca 0.00 1.08 -0.29 0.00 -0.41 0.00 0.00 54.97 55.35 2k5i s GLU 36 Cb 0.00 -3.31 -0.09 0.00 -1.78 0.00 0.00 34.13 28.94 2k5i s GLU 36 CO 0.00 0.42 1.00 -1.21 -0.49 0.00 0.00 175.26 174.98 2k5i s GLU 37 N -0.56 4.69 -0.10 1.61 8.01 -1.26 -0.65 118.70 130.44 2k5i s GLU 37 Ca 0.37 1.57 -0.05 0.00 0.01 0.00 0.00 54.97 56.87 2k5i s GLU 37 Cb -0.21 -3.12 0.05 0.00 -4.31 0.00 0.00 34.13 26.54 2k5i s GLU 37 CO 0.24 0.33 0.23 -1.50 0.01 0.00 0.00 175.26 174.57 2k5i s ILE 38 N -1.28 -0.15 0.03 -1.63 2.07 0.54 -4.01 121.20 116.77 2k5i s ILE 38 Ca 0.45 0.21 0.09 0.00 -1.41 0.00 0.00 60.65 59.98 2k5i s ILE 38 Cb -0.26 -0.37 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 2k5i s ILE 38 CO 0.33 0.08 -0.25 -1.83 -1.91 0.00 0.00 174.94 171.37 2k5i s GLU 39 N 1.62 1.74 -0.18 3.50 1.03 -1.08 -0.05 118.70 125.28 2k5i s GLU 39 Ca -0.06 -1.03 -0.28 0.00 0.03 0.00 0.00 54.97 53.63 2k5i s GLU 39 Cb -0.11 -1.86 -0.00 0.00 -0.80 0.00 0.00 34.13 31.36 2k5i s GLU 39 CO -0.08 0.48 0.99 0.42 -1.33 0.00 0.00 175.26 175.75 2k5i s ILE 40 N -0.76 4.75 -0.16 1.83 -1.09 -1.22 -0.57 121.20 123.99 2k5i s ILE 40 Ca 0.10 1.96 -0.15 0.00 -2.23 0.00 0.00 60.65 60.34 2k5i s ILE 40 Cb -0.10 -4.28 -0.11 0.00 -1.58 0.00 0.00 42.46 36.39 2k5i s ILE 40 CO 0.01 -0.09 0.12 0.58 -1.23 0.00 0.00 174.94 174.33 2k5i h VAL 41 N 5.30 0.56 -3.15 2.92 2.07 -1.14 0.17 116.25 122.98 2k5i h VAL 41 Ca -0.24 -1.59 -0.14 0.00 0.82 0.00 0.00 66.70 65.55 2k5i h VAL 41 Cb 1.10 1.23 -0.22 0.00 -1.52 0.00 0.00 31.29 31.88 2k5i h VAL 41 CO 0.92 0.19 -0.37 0.00 0.02 0.00 0.00 177.57 178.33 2k5i s GLN 42 N -2.17 0.49 -0.12 1.57 -2.07 -1.02 -4.56 119.66 111.79 2k5i s GLN 42 Ca -0.18 -0.01 -0.01 0.00 -1.82 0.00 0.00 55.36 53.34 2k5i s GLN 42 Cb 0.02 0.22 -0.03 0.00 -1.09 0.00 0.00 33.01 32.14 2k5i s GLN 42 CO 0.38 -0.11 -0.07 0.08 -1.32 0.00 0.00 175.29 174.25 2k5i s VAL 43 N -0.76 3.68 0.56 3.63 1.01 -1.26 -1.35 120.40 125.91 2k5i s VAL 43 Ca -0.08 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2k5i s VAL 43 Cb -0.04 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2k5i s VAL 43 CO 0.02 0.54 1.21 0.00 0.00 0.00 0.00 175.10 176.88 2k5i s ALA 44 N -0.13 2.67 -0.81 5.51 0.00 -1.11 -4.89 121.76 123.01 2k5i s ALA 44 Ca 0.01 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.03 2k5i s ALA 44 Cb -0.13 -3.45 0.18 0.00 0.00 0.00 0.00 23.12 19.72 2k5i s ALA 44 CO 0.03 -1.06 1.07 -0.35 0.00 0.00 0.00 175.76 175.45 2k5i n PRO 45 N -1.29 0.02 0.05 0.00 -0.04 -1.26 -0.36 135.00 132.12 2k5i n PRO 45 Ca 0.12 0.49 0.11 0.00 -0.04 0.00 0.00 63.50 64.19 2k5i n PRO 45 Cb 0.49 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.59 0.49 0.00 1.53 4.32 -1.26 -4.95 117.00 115.53 2k5i n LEU 46 Ca -0.00 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 2k5i n LEU 46 Cb 0.04 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2k5i n LEU 46 CO 0.01 -0.10 0.00 0.61 -1.22 0.00 0.00 177.39 176.70 2k5i n GLY 47 N 1.23 1.28 3.06 -0.72 0.00 0.52 -5.02 105.19 105.53 2k5i n GLY 47 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2k5i n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5i s ASP 48 N -3.09 0.09 0.70 1.61 2.15 -1.26 -4.57 116.67 112.30 2k5i s ASP 48 Ca 0.00 0.63 -0.03 0.00 0.43 0.00 0.00 52.55 53.58 2k5i s ASP 48 Cb 0.00 0.69 0.09 0.00 -0.30 0.00 0.00 42.92 43.39 2k5i s ASP 48 CO 0.00 -0.22 0.58 -0.81 -0.17 0.00 0.00 175.17 174.55 2k5i n PRO 49 N 5.01 -0.04 -4.52 4.34 -0.04 -1.26 -4.89 135.00 133.60 2k5i n PRO 49 Ca -0.12 -1.33 -0.26 0.00 -0.04 0.00 0.00 63.50 61.75 2k5i n PRO 49 Cb 0.51 -0.46 -0.13 0.00 -0.04 0.00 0.00 33.50 33.37 2k5i n PRO 49 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2k5i s ILE 50 N -1.81 1.81 -0.25 0.52 -0.00 -0.23 -2.75 121.20 118.48 2k5i s ILE 50 Ca 0.36 -1.41 -0.05 0.00 -0.00 0.00 0.00 60.65 59.56 2k5i s ILE 50 Cb -0.02 -1.60 -0.00 0.00 -0.00 0.00 0.00 42.46 40.85 2k5i s ILE 50 CO 0.25 0.12 0.00 -0.69 -0.00 0.00 0.00 174.94 174.62 2k5i s VAL 51 N -0.95 3.58 0.39 8.37 1.01 -0.46 -1.28 120.40 131.06 2k5i s VAL 51 Ca 0.08 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2k5i s VAL 51 Cb -0.09 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 2k5i s VAL 51 CO 0.03 0.28 0.01 0.00 0.00 0.00 0.00 175.10 175.41 2k5i s LYS 53 N -3.41 1.28 -0.16 0.00 1.02 0.27 -0.37 119.74 118.36 2k5i s LYS 53 Ca 0.01 -0.53 -0.02 0.00 0.02 0.00 0.00 55.97 55.45 2k5i s LYS 53 Cb 0.00 -1.21 0.05 0.00 -0.52 0.00 0.00 37.83 36.15 2k5i s LYS 53 CO 0.01 0.30 -0.00 0.42 -0.92 0.00 0.00 175.35 175.15 2k5i s ILE 54 N -0.26 0.72 -1.14 2.17 1.01 -0.03 -2.62 121.20 121.05 2k5i s ILE 54 Ca 0.04 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 2k5i s ILE 54 Cb -0.07 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2k5i s ILE 54 CO -0.00 -0.02 0.82 0.61 0.00 0.00 0.00 174.94 176.35 2k5i n GLY 55 N 5.00 -0.90 4.15 6.18 0.00 -1.26 -2.68 105.19 115.69 2k5i n GLY 55 Ca -0.10 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.94 0.00 -4.80 1.61 3.02 -1.26 -4.97 115.26 105.92 2k5i n ASN 56 Ca -0.13 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.05 2k5i n ASN 56 Cb 0.62 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.73 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 0.00 4.35 0.07 3.52 1.70 -1.09 -5.02 118.95 122.48 2k5i s ARG 57 Ca 0.00 0.98 -0.23 0.00 -0.47 0.00 0.00 55.73 56.01 2k5i s ARG 57 Cb 0.00 -2.95 -0.06 0.00 -0.57 0.00 0.00 34.95 31.36 2k5i s ARG 57 CO 0.00 0.42 0.68 -0.80 -1.08 0.00 0.00 175.30 174.52 2k5i s ASN 58 N -1.53 7.17 0.01 -2.89 -0.87 -1.26 -0.85 114.94 114.71 2k5i s ASN 58 Ca 0.42 1.39 0.07 0.00 -1.57 0.00 0.00 52.86 53.16 2k5i s ASN 58 Cb -0.18 -2.42 -0.02 0.00 -0.02 0.00 0.00 41.25 38.60 2k5i s ASN 58 CO 0.22 0.16 -0.21 -0.63 -2.57 0.00 0.00 177.10 174.07 2k5i s ILE 59 N -0.65 1.66 -0.34 0.60 -1.09 0.50 -4.95 121.20 116.93 2k5i s ILE 59 Ca 0.34 -1.01 -0.08 0.00 -2.23 0.00 0.00 60.65 57.66 2k5i s ILE 59 Cb -0.20 -1.40 0.03 0.00 -1.58 0.00 0.00 42.46 39.30 2k5i s ILE 59 CO 0.21 0.36 0.13 -0.89 -1.23 0.00 0.00 174.94 173.53 2k5i s THR 60 N -0.61 4.11 -0.11 2.92 2.01 -1.26 -1.19 115.64 121.51 2k5i s THR 60 Ca 0.08 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 2k5i s THR 60 Cb -0.08 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 2k5i s THR 60 CO 0.00 -0.12 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.00 2k5i s LEU 61 N 1.48 3.19 0.31 4.42 1.43 -0.40 -4.97 118.68 124.15 2k5i s LEU 61 Ca 0.01 -0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 52.76 2k5i s LEU 61 Cb -0.19 -1.73 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 2k5i s LEU 61 CO 0.04 0.27 1.01 -0.13 0.23 0.00 0.00 176.35 177.78 2k5i s ARG 62 N -0.27 4.55 0.36 1.70 1.81 -1.26 -1.07 118.95 124.76 2k5i s ARG 62 Ca 0.04 1.54 0.09 0.00 -1.72 0.00 0.00 55.73 55.69 2k5i s ARG 62 Cb -0.13 -2.94 0.83 0.00 -0.45 0.00 0.00 34.95 32.27 2k5i s ARG 62 CO 0.02 0.20 1.87 -0.22 -0.68 0.00 0.00 175.30 176.49 2k5i h LYS 63 N 3.37 0.66 0.00 3.54 3.64 -1.94 0.15 116.57 125.99 2k5i h LYS 63 Ca -0.47 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 58.78 2k5i h LYS 63 Cb 1.20 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 2k5i h LYS 63 CO 0.65 0.43 -0.43 0.07 -2.27 0.00 0.00 179.45 177.91 2k5i h ARG 64 N 0.68 0.00 0.10 1.90 0.11 -1.97 -2.15 114.38 113.05 2k5i h ARG 64 Ca 0.45 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.52 2k5i h ARG 64 Cb 0.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.82 2k5i h ARG 64 CO -0.20 0.43 -0.05 0.93 0.10 0.00 0.00 179.97 181.18 2k5i h GLU 65 N 0.00 -0.13 0.00 0.08 4.39 -1.20 -3.35 114.58 114.36 2k5i h GLU 65 Ca -0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2k5i h GLU 65 Cb 0.78 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2k5i h GLU 65 CO 0.06 0.18 -0.04 0.00 -1.16 0.00 0.00 179.01 178.04 2k5i h ALA 66 N -0.68 1.28 0.00 3.43 0.00 -1.01 -1.98 119.26 120.28 2k5i h ALA 66 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k5i h ALA 66 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k5i h ALA 66 CO 0.02 0.05 0.00 -3.47 0.00 0.00 0.00 179.25 175.86 2k5i n ASP 67 N -3.54 0.00 -0.72 0.00 2.03 -0.81 -1.46 116.55 112.05 2k5i n ASP 67 Ca -0.02 0.28 0.11 0.00 0.52 0.00 0.00 54.79 55.67 2k5i n ASP 67 Cb 0.15 -0.37 0.05 0.00 -0.72 0.00 0.00 41.12 40.24 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 -1.37 2.49 -4.27 -2.67 4.77 -0.75 -4.89 117.00 110.32 2k5i n LEU 68 Ca 0.04 -0.91 -0.35 0.00 -0.03 0.00 0.00 56.01 54.76 2k5i n LEU 68 Cb 0.10 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 2k5i n LEU 68 CO 0.09 0.44 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.58 2k5i s ILE 69 N -2.05 3.27 -0.15 -0.08 1.09 -0.54 -0.35 121.20 122.39 2k5i s ILE 69 Ca 0.23 -0.75 -0.09 0.00 -1.10 0.00 0.00 60.65 58.94 2k5i s ILE 69 Cb 0.18 -2.59 -0.05 0.00 -1.06 0.00 0.00 42.46 38.94 2k5i s ILE 69 CO 0.38 0.27 0.15 -0.70 -0.10 0.00 0.00 174.94 174.95 2k5i s GLU 70 N 1.42 3.84 0.44 2.79 2.12 -0.02 -2.35 118.70 126.94 2k5i s GLU 70 Ca 0.03 -0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.26 2k5i s GLU 70 Cb -0.16 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 2k5i s GLU 70 CO -0.03 0.53 0.12 1.33 -0.54 0.00 0.00 175.26 176.67 2k5i n VAL 71 N 2.76 0.00 -4.58 3.70 0.24 -0.63 -0.95 118.33 118.87 2k5i n VAL 71 Ca -0.17 -2.45 -0.22 0.00 -2.04 0.00 0.00 64.34 59.46 2k5i n VAL 71 Cb 0.53 0.79 -0.15 0.00 -1.47 0.00 0.00 33.84 33.54 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 -3.66 1.09 -0.14 7.34 -1.05 0.07 -4.48 118.70 117.86 2k5i s GLU 72 Ca 0.16 -0.45 -0.29 0.00 -0.15 0.00 0.00 54.97 54.24 2k5i s GLU 72 Cb 0.01 -1.04 -0.01 0.00 -0.44 0.00 0.00 34.13 32.65 2k5i s GLU 72 CO 0.12 0.26 1.07 0.08 0.95 0.00 0.00 175.26 177.74 2k5i s VAL 73 N -0.22 4.62 -0.66 1.83 1.01 -1.26 -0.71 120.40 125.00 2k5i s VAL 73 Ca 0.03 1.92 0.25 0.00 0.00 0.00 0.00 61.98 64.19 2k5i s VAL 73 Cb -0.06 -4.24 0.28 0.00 0.00 0.00 0.00 36.38 32.37 2k5i s VAL 73 CO -0.00 -0.07 1.71 0.58 0.00 0.00 0.00 175.10 177.32 2k5i h VAL 74 N 5.24 0.00 -3.89 2.92 2.07 -1.13 -3.46 116.25 118.00 2k5i h VAL 74 Ca -0.27 -0.60 -0.46 0.00 0.82 0.00 0.00 66.70 66.19 2k5i h VAL 74 Cb 1.12 1.57 0.16 0.00 -1.52 0.00 0.00 31.29 32.62 2k5i h VAL 74 CO 0.91 0.00 0.20 -0.83 0.02 0.00 0.00 177.57 177.87 2k5i s GLY 75 N -3.73 1.57 0.34 2.17 0.00 -1.23 -4.96 107.32 101.47 2k5i s GLY 75 Ca 0.09 -0.32 0.08 0.00 0.00 0.00 0.00 44.72 44.57 2k5i s GLY 75 CO 0.62 0.28 1.80 -1.33 0.00 0.00 0.00 173.10 174.47 2k5i h GLY 76 N -1.87 0.25 -0.71 0.20 0.00 -1.98 -3.47 103.07 95.49 2k5i h GLY 76 Ca -0.54 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 46.45 2k5i h GLY 76 CO 0.57 0.18 -0.10 -1.84 0.00 0.00 0.00 176.54 175.35 2k5i n GLU 77 N -4.14 0.29 -3.86 4.80 0.00 -1.26 -5.01 120.64 111.47 2k5i n GLU 77 Ca -0.01 -1.33 -0.12 0.00 0.00 0.00 0.00 57.16 55.71 2k5i n GLU 77 Cb 0.38 1.23 -0.12 0.00 0.00 0.00 0.00 31.44 32.94 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 1.60 0.74 -1.84 2.34 -0.94 -4.97 118.68 115.62 2k5i s LEU 78 Ca 0.14 0.04 -0.11 0.00 0.06 0.00 0.00 54.13 54.27 2k5i s LEU 78 Cb -0.00 0.47 0.04 0.00 -0.56 0.00 0.00 46.19 46.14 2k5i s LEU 78 CO 0.10 -0.17 1.08 -2.16 -1.06 0.00 0.00 176.35 174.14 2k5i s PRO 79 N -0.51 2.52 0.27 1.48 0.04 -1.26 -0.38 135.00 137.15 2k5i s PRO 79 Ca -0.06 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.02 2k5i s PRO 79 Cb -0.04 -1.94 0.60 0.00 0.04 0.00 0.00 34.50 33.16 2k5i s PRO 79 CO 0.00 -1.42 1.70 -0.07 0.04 0.00 0.00 177.00 177.25 2k5i h LEU 80 N -0.96 0.21 -2.22 -3.56 3.38 -0.63 0.98 115.31 112.50 2k5i h LEU 80 Ca -0.44 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2k5i h LEU 80 Cb 1.22 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 2k5i h LEU 80 CO 0.54 0.00 -0.05 -0.29 0.09 0.00 0.00 178.44 178.73 2k5i h ILE 81 N 0.36 0.63 -0.54 1.22 6.09 -1.81 -1.08 117.51 122.38 2k5i h ILE 81 Ca 0.49 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.79 2k5i h ILE 81 Cb 0.88 1.12 0.00 0.00 0.47 0.00 0.00 36.82 39.28 2k5i h ILE 81 CO -0.51 0.05 0.00 0.18 -3.07 0.00 0.00 178.15 174.80 2k5i n LEU 82 N -3.89 3.68 -4.68 2.19 4.77 0.30 -4.97 117.00 114.40 2k5i n LEU 82 Ca -0.03 -1.73 -0.42 0.00 -0.03 0.00 0.00 56.01 53.80 2k5i n LEU 82 Cb 0.14 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2k5i n LEU 82 CO 0.29 0.85 1.38 0.00 -1.33 0.00 0.00 177.39 178.59 2k5i s ALA 83 N -1.26 3.67 0.00 -1.18 0.00 -0.41 -4.90 121.76 117.68 2k5i s ALA 83 Ca 0.43 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2k5i s ALA 83 Cb 0.24 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2k5i s ALA 83 CO 0.32 -1.22 0.60 -3.47 0.00 0.00 0.00 175.76 172.00 2k5i n ASP 84 N 6.08 0.00 0.00 0.00 2.03 -1.26 -4.93 116.55 118.46 2k5i n ASP 84 Ca 0.17 0.60 0.00 0.00 0.52 0.00 0.00 54.79 56.08 2k5i n ASP 84 Cb 0.41 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 2k5i n ASP 84 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2k5i n ASP 85 N -1.13 0.00 0.00 1.67 2.03 -1.26 -4.95 116.55 112.90 2k5i n ASP 85 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k5i n ASP 85 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2k5i n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5i n GLY 86 N 0.00 -0.16 3.66 0.27 0.00 0.14 -5.00 105.19 104.09 2k5i n GLY 86 Ca 0.00 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.93 4.95 0.48 2.61 2.01 -1.26 -0.26 115.64 121.24 2k5i s THR 87 Ca 0.00 1.36 0.02 0.00 0.31 0.00 0.00 61.69 63.38 2k5i s THR 87 Cb 0.00 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 2k5i s THR 87 CO 0.00 0.05 0.02 -0.31 -0.69 0.00 0.00 174.62 173.69 2k5i s TYR 88 N 2.19 1.93 -0.01 4.92 1.51 0.10 -1.87 117.35 126.12 2k5i s TYR 88 Ca 0.32 -0.97 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 2k5i s TYR 88 Cb -0.16 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.14 2k5i s TYR 88 CO 0.10 0.18 0.00 -1.83 -1.11 0.00 0.00 175.55 172.90 2k5i s GLU 89 N -3.84 0.06 0.28 -0.62 -1.05 0.29 0.41 118.70 114.23 2k5i s GLU 89 Ca 0.12 0.04 -0.29 0.00 -0.15 0.00 0.00 54.97 54.69 2k5i s GLU 89 Cb 0.03 -0.16 -0.10 0.00 -0.44 0.00 0.00 34.13 33.46 2k5i s GLU 89 CO 0.06 -0.05 1.14 -1.50 0.95 0.00 0.00 175.26 175.86 2k5i s ILE 90 N 0.41 3.36 0.00 1.83 2.07 -0.18 -0.11 121.20 128.58 2k5i s ILE 90 Ca -0.03 1.36 0.00 0.00 -1.41 0.00 0.00 60.65 60.56 2k5i s ILE 90 Cb -0.05 -3.86 0.00 0.00 0.13 0.00 0.00 42.46 38.67 2k5i s ILE 90 CO -0.01 0.32 0.00 1.07 -1.91 0.00 0.00 174.94 174.41 2k5i n THR 91 N 1.20 0.00 -3.95 4.00 5.66 -0.37 -0.64 114.28 120.19 2k5i n THR 91 Ca -0.01 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 2k5i n THR 91 Cb 0.44 -1.17 -0.11 0.00 -1.55 0.00 0.00 70.33 67.95 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 -1.97 0.37 0.29 1.09 -2.85 -1.24 -4.77 119.74 110.65 2k5i s LYS 92 Ca 0.00 -0.55 0.08 0.00 -1.00 0.00 0.00 55.97 54.50 2k5i s LYS 92 Cb 0.00 0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.87 2k5i s LYS 92 CO 0.00 -0.07 0.13 -0.51 0.10 0.00 0.00 175.35 175.00 2k5i s LEU 93 N -1.46 3.44 -0.24 2.77 2.01 -1.26 -2.32 118.68 121.62 2k5i s LEU 93 Ca -0.15 -0.55 -0.03 0.00 0.01 0.00 0.00 54.13 53.40 2k5i s LEU 93 Cb -0.09 -1.96 0.08 0.00 0.01 0.00 0.00 46.19 44.23 2k5i s LEU 93 CO -0.00 -0.14 0.09 0.20 1.01 0.00 0.00 176.35 177.50 2k5i s ASN 94 N -3.81 3.17 0.00 2.29 0.01 -1.08 -5.01 114.94 110.51 2k5i s ASN 94 Ca 0.35 -1.06 0.00 0.00 -0.71 0.00 0.00 52.86 51.43 2k5i s ASN 94 Cb -0.06 -0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.12 2k5i s ASN 94 CO 0.23 -0.38 0.00 0.61 -1.51 0.00 0.00 177.10 176.05 2k5i n GLY 95 N 5.13 -1.44 3.93 0.66 0.00 -1.26 -4.84 105.19 107.38 2k5i n GLY 95 Ca -0.06 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 1.77 0.12 -0.02 0.00 -1.26 -4.89 107.32 103.04 2k5i s GLY 96 Ca 0.00 -1.18 -0.15 0.00 0.00 0.00 0.00 44.72 43.39 2k5i s GLY 96 CO 0.00 -0.42 1.58 3.21 0.00 0.00 0.00 173.10 177.47 2k5i h ARG 97 N -1.62 0.67 -0.54 2.90 3.08 -2.02 -2.11 114.38 114.73 2k5i h ARG 97 Ca -0.44 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.38 2k5i h ARG 97 Cb 1.24 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 2k5i h ARG 97 CO 0.39 0.75 0.25 -0.09 -1.07 0.00 0.00 179.97 180.21 2k5i h ARG 98 N 0.50 0.76 -0.68 0.04 9.65 -1.99 0.00 114.38 122.66 2k5i h ARG 98 Ca 0.11 -0.09 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 2k5i h ARG 98 Cb 0.43 -0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.81 2k5i h ARG 98 CO 0.02 0.60 0.39 0.35 2.80 0.00 0.00 179.97 184.12 2k5i h PHE 99 N 0.76 0.71 -0.43 2.20 3.57 -1.82 -1.17 116.94 120.77 2k5i h PHE 99 Ca 0.19 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 2k5i h PHE 99 Cb 0.09 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2k5i h PHE 99 CO 0.01 0.35 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.24 2k5i h LEU 100 N 0.72 0.85 -0.78 0.59 3.38 -0.68 -2.89 115.31 116.50 2k5i h LEU 100 Ca 0.30 -0.37 0.11 0.00 0.09 0.00 0.00 57.88 58.01 2k5i h LEU 100 Cb 0.17 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 2k5i h LEU 100 CO -0.18 1.03 0.40 0.15 0.09 0.00 0.00 178.44 179.93 2k5i h PHE 101 N 0.67 0.72 -0.41 1.13 3.57 -0.53 -1.43 116.94 120.66 2k5i h PHE 101 Ca 0.11 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.65 2k5i h PHE 101 Cb 0.66 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2k5i h PHE 101 CO 0.05 0.23 0.24 0.00 -2.23 0.00 0.00 178.31 176.61 2k5i h ARG 102 N 0.64 0.47 -0.20 1.11 3.08 -1.12 -2.61 114.38 115.76 2k5i h ARG 102 Ca 0.40 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.45 2k5i h ARG 102 Cb 0.46 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2k5i h ARG 102 CO -0.30 0.31 0.14 0.52 -1.07 0.00 0.00 179.97 179.57 2k5i h MET 103 N 0.49 0.11 0.00 0.04 2.86 -1.07 0.36 114.93 117.72 2k5i h MET 103 Ca 0.16 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2k5i h MET 103 Cb 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 2k5i h MET 103 CO -0.07 0.07 -0.10 0.87 1.06 0.00 0.00 176.91 178.74 2k5i h LYS 104 N 0.11 0.00 0.18 1.72 1.57 -1.01 0.50 116.57 119.64 2k5i h LYS 104 Ca 0.09 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.54 2k5i h LYS 104 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.53 2k5i h LYS 104 CO -0.01 0.10 -1.55 -0.91 -0.57 0.00 0.00 179.45 176.51 2k5i h ASN 105 N 0.00 0.58 0.25 0.86 2.35 -0.96 -3.31 115.58 115.35 2k5i h ASN 105 Ca -0.00 -0.74 -0.11 0.00 -0.55 0.00 0.00 56.30 54.90 2k5i h ASN 105 Cb 0.18 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2k5i h ASN 105 CO 0.01 1.61 -0.43 -0.07 -1.65 0.00 0.00 177.43 176.90 2k5i h LEU 106 N 0.10 0.24 0.00 1.61 -0.00 -1.16 -3.47 115.31 112.62 2k5i h LEU 106 Ca -0.26 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 2k5i h LEU 106 Cb 2.08 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.67 2k5i h LEU 106 CO 0.20 0.64 0.00 0.61 -0.00 0.00 0.00 178.44 179.89 2k5i n GLY 107 N -0.16 1.03 3.40 0.83 0.00 0.13 -4.98 105.19 105.46 2k5i n GLY 107 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 4.58 0.04 -0.61 -0.00 -1.01 -4.90 121.20 117.29 2k5i s ILE 108 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 60.65 59.99 2k5i s ILE 108 Cb 0.00 -3.45 0.00 0.00 -0.00 0.00 0.00 42.46 39.01 2k5i s ILE 108 CO 0.00 -0.10 0.00 -0.62 -0.00 0.00 0.00 174.94 174.22 2k5i n GLU 109 N 4.99 0.00 -3.64 0.37 1.02 -1.26 -4.49 120.64 117.62 2k5i n GLU 109 Ca -0.13 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.92 2k5i n GLU 109 Cb 0.47 -0.09 -0.07 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 -5.01 -0.85 0.00 1.62 1.04 -1.26 -4.65 113.70 104.59 2k5i s SER 110 Ca 0.00 1.43 0.00 0.00 0.48 0.00 0.00 55.95 57.86 2k5i s SER 110 Cb 0.00 1.34 0.00 0.00 0.10 0.00 0.00 66.02 67.46 2k5i s SER 110 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2k5i n GLY 111 N 3.83 0.97 3.73 7.32 0.00 0.19 -5.01 105.19 116.23 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 -0.01 4.67 -0.39 1.61 -0.14 -1.26 -4.85 119.74 119.37 2k5i s LYS 112 Ca 0.00 1.55 -0.22 0.00 -1.36 0.00 0.00 55.97 55.94 2k5i s LYS 112 Cb 0.00 -3.34 0.01 0.00 -1.68 0.00 0.00 37.83 32.82 2k5i s LYS 112 CO 0.00 0.17 0.71 0.15 -0.76 0.00 0.00 175.35 175.62 2k5i s LYS 113 N -0.15 3.56 -0.20 1.68 3.01 -1.26 -1.01 119.74 125.37 2k5i s LYS 113 Ca 0.48 0.00 -0.06 0.00 -1.01 0.00 0.00 55.97 55.39 2k5i s LYS 113 Cb -0.26 -3.86 -0.03 0.00 -1.01 0.00 0.00 37.83 32.67 2k5i s LYS 113 CO 0.32 -0.90 0.02 -1.50 0.51 0.00 0.00 175.35 173.79 2k5i s ILE 114 N 2.97 4.14 -0.40 2.17 2.07 0.16 -4.68 121.20 127.63 2k5i s ILE 114 Ca 0.27 -0.25 -0.25 0.00 -1.41 0.00 0.00 60.65 59.01 2k5i s ILE 114 Cb -0.13 -2.88 0.02 0.00 0.13 0.00 0.00 42.46 39.60 2k5i s ILE 114 CO 0.18 0.42 0.88 -1.10 -1.91 0.00 0.00 174.94 173.42 2k5i s GLN 115 N 0.95 3.70 -0.49 3.50 1.11 0.58 -0.72 119.66 128.28 2k5i s GLN 115 Ca 0.02 0.35 -0.17 0.00 0.01 0.00 0.00 55.36 55.57 2k5i s GLN 115 Cb -0.14 -3.85 0.08 0.00 -1.01 0.00 0.00 33.01 28.08 2k5i s GLN 115 CO 0.02 -1.02 0.49 0.08 0.01 0.00 0.00 175.29 174.87 2k5i s VAL 116 N 3.46 5.11 -0.25 1.09 1.01 0.64 -0.18 120.40 131.29 2k5i s VAL 116 Ca 0.36 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2k5i s VAL 116 Cb -0.12 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.11 2k5i s VAL 116 CO 0.21 -0.70 -0.08 -0.44 0.00 0.00 0.00 175.10 174.09 2k5i s SER 117 N 2.77 4.18 -1.37 3.32 0.01 -0.12 0.24 113.70 122.74 2k5i s SER 117 Ca 0.07 -1.32 -0.09 0.00 1.31 0.00 0.00 55.95 55.92 2k5i s SER 117 Cb -0.23 -1.38 0.01 0.00 0.21 0.00 0.00 66.02 64.63 2k5i s SER 117 CO 0.08 -0.22 1.17 0.61 0.41 0.00 0.00 173.24 175.29 2k5i n GLY 118 N 4.54 -0.55 3.52 3.44 0.00 -1.26 -1.44 105.19 113.44 2k5i n GLY 118 Ca -0.13 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.98 0.00 -3.27 1.61 3.00 -1.26 -4.98 116.66 106.78 2k5i n ARG 119 Ca 0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.46 2k5i n ARG 119 Cb 0.56 -3.23 -0.07 0.00 0.00 0.00 0.00 32.46 29.72 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 -0.36 4.16 -0.11 5.56 0.52 -0.52 -5.06 118.95 123.15 2k5i s ARG 120 Ca 0.00 0.36 -0.15 0.00 -0.52 0.00 0.00 55.73 55.42 2k5i s ARG 120 Cb 0.00 -3.57 -0.05 0.00 0.52 0.00 0.00 34.95 31.85 2k5i s ARG 120 CO 0.00 -0.17 0.37 0.71 0.02 0.00 0.00 175.30 176.23 2k5i s TYR 121 N 1.71 3.55 -0.03 -0.53 2.02 -1.26 -0.95 117.35 121.86 2k5i s TYR 121 Ca 0.23 0.78 0.04 0.00 -0.37 0.00 0.00 57.07 57.74 2k5i s TYR 121 Cb -0.15 -2.38 -0.00 0.00 -0.40 0.00 0.00 41.96 39.03 2k5i s TYR 121 CO 0.09 0.33 -0.14 0.71 -1.57 0.00 0.00 175.55 174.98 2k5i s TYR 122 N 0.08 1.34 -0.55 2.71 2.02 0.75 -0.84 117.35 122.86 2k5i s TYR 122 Ca 0.21 -0.33 -0.07 0.00 -0.37 0.00 0.00 57.07 56.51 2k5i s TYR 122 Cb -0.14 -0.90 0.14 0.00 -0.40 0.00 0.00 41.96 40.65 2k5i s TYR 122 CO 0.08 -0.10 0.40 0.42 -1.57 0.00 0.00 175.55 174.78 2k5i s ILE 123 N -0.01 4.08 -0.25 2.71 -1.09 0.12 -0.31 121.20 126.44 2k5i s ILE 123 Ca -0.01 -2.29 -0.03 0.00 -2.23 0.00 0.00 60.65 56.10 2k5i s ILE 123 Cb -0.09 -3.67 0.03 0.00 -1.58 0.00 0.00 42.46 37.16 2k5i s ILE 123 CO 0.01 -0.83 0.08 -1.84 -1.23 0.00 0.00 174.94 171.13 2k5i n GLU 124 N 4.29 -2.71 0.00 2.79 0.28 -1.26 -1.33 120.64 122.70 2k5i n GLU 124 Ca 0.01 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2k5i n GLU 124 Cb 0.41 -4.54 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 -0.58 1.79 2.97 -1.84 0.00 -1.26 -5.12 105.19 101.15 2k5i n GLY 125 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.02 1.82 -0.21 1.61 6.06 -0.44 -5.10 118.95 122.68 2k5i s ARG 126 Ca 0.00 -1.01 -0.29 0.00 -2.50 0.00 0.00 55.73 51.93 2k5i s ARG 126 Cb 0.00 -2.59 -0.03 0.00 0.06 0.00 0.00 34.95 32.38 2k5i s ARG 126 CO 0.00 -0.55 1.74 -1.21 -2.50 0.00 0.00 175.30 172.77 2k5i s GLU 127 N 1.35 3.71 0.01 5.12 8.01 -1.26 -0.70 118.70 134.94 2k5i s GLU 127 Ca -0.05 1.78 -0.30 0.00 0.01 0.00 0.00 54.97 56.40 2k5i s GLU 127 Cb -0.18 -4.10 -0.03 0.00 -4.31 0.00 0.00 34.13 25.50 2k5i s GLU 127 CO -0.06 -1.41 1.00 0.42 0.01 0.00 0.00 175.26 175.22 2k5i s ILE 128 N 5.64 4.76 0.16 -1.63 -1.09 -0.02 -4.95 121.20 124.08 2k5i s ILE 128 Ca 0.77 2.00 0.30 0.00 -2.23 0.00 0.00 60.65 61.50 2k5i s ILE 128 Cb -0.27 -4.28 0.33 0.00 -1.58 0.00 0.00 42.46 36.65 2k5i s ILE 128 CO 0.32 0.17 1.95 -0.78 -1.23 0.00 0.00 174.94 175.36 2k5i h ASP 129 N 6.71 0.00 -0.34 3.58 3.58 -1.93 -3.42 116.42 124.59 2k5i h ASP 129 Ca -0.41 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 56.91 2k5i h ASP 129 Cb 1.22 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.24 2k5i h ASP 129 CO 0.75 0.09 0.65 0.18 -2.88 0.00 0.00 179.24 178.04 2k5i n LEU 130 N -3.25 1.03 0.00 2.28 4.77 -1.26 -4.81 117.00 115.76 2k5i n LEU 130 Ca 0.00 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 2k5i n LEU 130 Cb 0.33 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 2k5i n LEU 130 CO 0.29 -2.23 0.00 0.61 -1.33 0.00 0.00 177.39 174.73 2k5i n GLY 131 N 6.44 0.63 1.18 -0.72 0.00 -1.26 -4.50 105.19 106.96 2k5i n GLY 131 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.23 -0.05 -0.17 1.61 9.36 -1.26 -4.54 117.16 120.88 2k5i n TYR 132 Ca 0.00 0.01 -0.02 0.00 3.32 0.00 0.00 57.90 61.21 2k5i n TYR 132 Cb 0.00 0.09 0.07 0.00 -0.63 0.00 0.00 39.34 38.87 2k5i n TYR 132 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2k5i h GLY 133 N 0.00 0.68 1.56 2.98 0.00 -1.99 -1.79 103.07 104.52 2k5i h GLY 133 Ca 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 47.33 47.02 2k5i h GLY 133 CO 0.00 -0.02 -0.98 0.83 0.00 0.00 0.00 176.54 176.37 2k5i h GLU 134 N 0.33 0.38 0.00 4.80 5.08 -1.93 -3.31 114.58 119.93 2k5i h GLU 134 Ca 0.25 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2k5i h GLU 134 Cb 0.30 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2k5i h GLU 134 CO -0.28 1.12 0.00 0.00 -1.00 0.00 0.00 179.01 178.85 2k5i h ALA 135 N 0.73 1.00 -0.01 3.43 0.00 -1.57 0.20 119.26 123.03 2k5i h ALA 135 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k5i h ALA 135 Cb 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2k5i h ALA 135 CO 0.17 0.00 -0.12 -2.37 0.00 0.00 0.00 179.25 176.93 2k5i n THR 136 N -2.69 0.00 -0.04 0.00 5.66 -0.90 -2.12 114.28 114.20 2k5i n THR 136 Ca -0.01 -0.13 0.01 0.00 -3.05 0.00 0.00 64.05 60.87 2k5i n THR 136 Cb 0.14 0.19 -0.15 0.00 -1.55 0.00 0.00 70.33 68.96 2k5i n THR 136 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k5i n LYS 137 N -0.56 0.66 -3.15 1.09 4.01 0.05 -4.89 118.16 115.37 2k5i n LYS 137 Ca 0.16 -0.05 -0.41 0.00 -0.51 0.00 0.00 58.31 57.49 2k5i n LYS 137 Cb 0.31 -1.57 -0.07 0.00 -0.51 0.00 0.00 35.03 33.18 2k5i n LYS 137 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2k5i s ILE 138 N -3.01 4.94 -0.14 -0.18 1.09 -1.19 -2.62 121.20 120.09 2k5i s ILE 138 Ca -0.08 0.57 -0.12 0.00 -1.10 0.00 0.00 60.65 59.92 2k5i s ILE 138 Cb 0.10 -4.03 -0.05 0.00 -1.06 0.00 0.00 42.46 37.42 2k5i s ILE 138 CO 0.86 -0.25 0.25 0.26 -0.10 0.00 0.00 174.94 175.96 2k5i s TRP 139 N 2.60 3.52 0.23 3.97 0.52 -0.98 -1.26 118.94 127.54 2k5i s TRP 139 Ca 0.23 0.60 0.05 0.00 0.02 0.00 0.00 56.10 57.00 2k5i s TRP 139 Cb -0.15 -2.23 -0.05 0.00 -1.15 0.00 0.00 33.47 29.89 2k5i s TRP 139 CO 0.14 0.40 -0.05 0.14 0.02 0.00 0.00 176.95 177.60 2k5i s VAL 140 N -0.07 1.34 0.05 4.03 -7.23 0.49 -1.24 120.40 117.77 2k5i s VAL 140 Ca 0.16 -2.09 0.07 0.00 -1.81 0.00 0.00 61.98 58.31 2k5i s VAL 140 Cb -0.13 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 2k5i s VAL 140 CO 0.04 -0.41 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.09 2k5i s ARG 141 N -3.77 1.29 -0.02 4.82 0.52 0.84 -2.21 118.95 120.42 2k5i s ARG 141 Ca 0.26 -0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 54.20 2k5i s ARG 141 Cb 0.04 -1.42 -0.05 0.00 0.52 0.00 0.00 34.95 34.03 2k5i s ARG 141 CO 0.08 0.36 1.40 0.50 0.02 0.00 0.00 175.30 177.66 2k5i s ARG 142 N -1.32 4.27 0.38 3.54 6.06 -1.26 -0.55 118.95 130.07 2k5i s ARG 142 Ca 0.07 1.95 0.01 0.00 -2.50 0.00 0.00 55.73 55.25 2k5i s ARG 142 Cb -0.09 -3.62 -0.00 0.00 0.06 0.00 0.00 34.95 31.30 2k5i s ARG 142 CO 0.02 -0.60 0.03 1.33 -2.50 0.00 0.00 175.30 173.58 2k5i n VAL 143 N 4.77 0.00 -0.89 7.11 0.24 -0.78 -4.94 118.33 123.85 2k5i n VAL 143 Ca 0.13 -1.86 0.08 0.00 -2.04 0.00 0.00 64.34 60.65 2k5i n VAL 143 Cb 0.44 0.44 0.18 0.00 -1.47 0.00 0.00 33.84 33.43 2k5i n VAL 143 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2k5i n SER 144 N -1.34 3.04 -0.83 -1.34 2.88 -1.26 -4.67 113.62 110.10 2k5i n SER 144 Ca -0.14 -2.89 0.00 0.00 -1.33 0.00 0.00 58.87 54.51 2k5i n SER 144 Cb 0.49 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 2k5i n SER 144 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k5i n ASP 145 N -0.81 2.03 -4.45 -3.46 9.92 -1.26 -4.75 116.55 113.76 2k5i n ASP 145 Ca 0.17 -1.73 -0.43 0.00 -0.53 0.00 0.00 54.79 52.26 2k5i n ASP 145 Cb 0.70 -0.43 -0.04 0.00 -0.64 0.00 0.00 41.12 40.71 2k5i n ASP 145 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k5i s ALA 146 N -0.24 3.14 -0.53 2.24 0.00 -1.26 -4.89 121.76 120.22 2k5i s ALA 146 Ca 0.00 -1.82 0.02 0.00 0.00 0.00 0.00 51.96 50.16 2k5i s ALA 146 Cb 0.00 -3.81 0.15 0.00 0.00 0.00 0.00 23.12 19.45 2k5i s ALA 146 CO 0.00 -2.70 0.93 0.41 0.00 0.00 0.00 175.76 174.40 2k5i n GLY 147 N 5.30 2.08 3.96 0.00 0.00 -1.26 -4.87 105.19 110.40 2k5i n GLY 147 Ca -0.04 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.04 2.18 -1.15 1.61 0.41 -1.26 -4.96 118.70 114.49 2k5i s GLU 148 Ca 0.11 -0.64 -0.24 0.00 -0.41 0.00 0.00 54.97 53.79 2k5i s GLU 148 Cb 0.09 -2.32 -0.12 0.00 -1.78 0.00 0.00 34.13 30.00 2k5i s GLU 148 CO 0.03 -1.10 1.98 -1.21 -0.49 0.00 0.00 175.26 174.46 2k5i s GLU 149 N -5.05 2.20 -0.40 1.61 0.41 -1.26 -4.79 118.70 111.43 2k5i s GLU 149 Ca 0.61 -0.97 0.01 0.00 -0.41 0.00 0.00 54.97 54.20 2k5i s GLU 149 Cb -0.09 -5.18 0.13 0.00 -1.78 0.00 0.00 34.13 27.21 2k5i s GLU 149 CO 0.42 -4.30 0.21 0.45 -0.49 0.00 0.00 175.26 171.55 2k5i s SER 150 N 7.01 3.55 0.37 -0.19 0.15 -1.26 -5.13 113.70 118.20 2k5i s SER 150 Ca 0.71 -2.35 0.08 0.00 0.70 0.00 0.00 55.95 55.10 2k5i s SER 150 Cb -0.02 -0.85 -0.05 0.00 -1.71 0.00 0.00 66.02 63.40 2k5i s SER 150 CO 0.14 -0.30 0.16 -1.00 1.20 0.00 0.00 173.24 173.44 2k5i s HIS 151 N 0.75 2.66 -0.72 3.44 3.76 -1.26 -5.03 115.29 118.88 2k5i s HIS 151 Ca 0.16 -0.47 -0.30 0.00 -0.15 0.00 0.00 55.06 54.30 2k5i s HIS 151 Cb -0.23 -1.79 -0.15 0.00 1.11 0.00 0.00 32.58 31.52 2k5i s HIS 151 CO -0.04 0.26 2.52 -0.35 -0.85 0.00 0.00 174.74 176.28 2k5i n PRO 152 N -1.20 0.50 -3.63 8.40 -0.04 -1.26 -4.91 135.00 132.85 2k5i n PRO 152 Ca -0.02 0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 63.12 2k5i n PRO 152 Cb 0.63 -2.31 -0.08 0.00 -0.04 0.00 0.00 33.50 31.70 2k5i n PRO 152 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2k5i s GLN 153 N 8.30 4.20 0.48 0.54 0.74 -1.26 -5.07 119.66 127.60 2k5i s GLN 153 Ca 1.19 -0.09 -0.24 0.00 0.05 0.00 0.00 55.36 56.27 2k5i s GLN 153 Cb -0.84 -3.44 -0.07 0.00 1.10 0.00 0.00 33.01 29.76 2k5i s GLN 153 CO 0.42 0.23 1.41 0.15 -0.55 0.00 0.00 175.29 176.94 2k5i s LYS 154 N 0.54 3.52 0.80 1.67 1.02 -1.26 -4.98 119.74 121.03 2k5i s LYS 154 Ca 0.12 2.37 -0.11 0.00 0.02 0.00 0.00 55.97 58.36 2k5i s LYS 154 Cb -0.12 -2.53 0.07 0.00 -0.52 0.00 0.00 37.83 34.73 2k5i s LYS 154 CO 0.01 -0.94 1.11 -0.48 -0.92 0.00 0.00 175.35 174.14 2k5i s LEU 155 N -2.97 3.03 0.07 3.17 0.05 -1.26 -5.02 118.68 115.75 2k5i s LEU 155 Ca 0.64 1.95 -0.18 0.00 0.05 0.00 0.00 54.13 56.59 2k5i s LEU 155 Cb -0.43 -4.54 -0.07 0.00 -2.05 0.00 0.00 46.19 39.11 2k5i s LEU 155 CO 0.54 -2.28 0.54 -1.61 -0.55 0.00 0.00 176.35 172.99 2k5i s GLU 156 N -4.73 4.13 -1.43 1.48 2.02 -1.26 -4.97 118.70 113.93 2k5i s GLU 156 Ca 0.64 0.65 -0.11 0.00 0.02 0.00 0.00 54.97 56.17 2k5i s GLU 156 Cb -0.19 -3.20 -0.05 0.00 0.10 0.00 0.00 34.13 30.78 2k5i s GLU 156 CO 0.55 0.63 2.59 -2.39 0.02 0.00 0.00 175.26 176.66 2k5i n HIS 157 N 1.63 2.54 -3.73 1.61 1.44 -1.26 -4.93 115.22 112.52 2k5i n HIS 157 Ca -0.10 -2.83 -0.36 0.00 -2.01 0.00 0.00 57.72 52.42 2k5i n HIS 157 Cb 0.51 -2.35 -0.09 0.00 0.12 0.00 0.00 29.99 28.18 2k5i n HIS 157 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k5i s HIS 158 N 2.79 3.32 -0.51 -1.40 5.04 -1.26 -5.06 115.29 118.20 2k5i s HIS 158 Ca 0.59 0.20 -0.13 0.00 -1.54 0.00 0.00 55.06 54.18 2k5i s HIS 158 Cb 0.16 -2.22 0.13 0.00 0.04 0.00 0.00 32.58 30.68 2k5i s HIS 158 CO -0.05 0.11 0.43 -1.58 -2.34 0.00 0.00 174.74 171.31 2k5i s HIS 159 N 0.84 3.33 0.02 3.88 2.46 -1.26 -5.06 115.29 119.50 2k5i s HIS 159 Ca 0.07 -1.55 -0.20 0.00 0.47 0.00 0.00 55.06 53.85 2k5i s HIS 159 Cb -0.13 -3.67 -0.06 0.00 -0.13 0.00 0.00 32.58 28.59 2k5i s HIS 159 CO 0.03 -1.01 0.57 -3.38 -2.47 0.00 0.00 174.74 168.48 2k5i s HIS 160 N 1.49 3.73 0.25 3.88 -3.43 -1.26 -5.00 115.29 114.94 2k5i s HIS 160 Ca 0.04 1.20 -0.04 0.00 -0.80 0.00 0.00 55.06 55.47 2k5i s HIS 160 Cb -0.28 -2.55 0.29 0.00 -1.43 0.00 0.00 32.58 28.61 2k5i s HIS 160 CO 0.01 0.45 1.78 1.25 -2.00 0.00 0.00 174.74 176.24 2k5i h HIS 161 N 5.21 0.99 -0.02 0.38 2.76 -2.02 -3.57 115.15 118.88 2k5i h HIS 161 Ca -0.47 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 57.60 2k5i h HIS 161 Cb 1.21 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.88 2k5i h HIS 161 CO 0.67 0.82 0.00 0.72 -1.30 0.00 0.00 177.93 178.83