#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 4.15 0.49 3.17 3.01 -1.26 -3.65 119.74 125.65 2k5i s LYS 2 Ca 0.00 2.54 0.18 0.00 -1.01 0.00 0.00 55.97 57.68 2k5i s LYS 2 Cb 0.00 -3.09 1.21 0.00 -1.01 0.00 0.00 37.83 34.94 2k5i s LYS 2 CO 0.00 -0.71 2.03 1.25 0.51 0.00 0.00 175.35 178.43 2k5i h LEU 3 N 6.68 0.15 -1.59 3.17 6.46 -1.44 -2.36 115.31 126.38 2k5i h LEU 3 Ca -0.43 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 2k5i h LEU 3 Cb 1.20 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2k5i h LEU 3 CO 0.94 0.09 0.16 -1.28 -0.62 0.00 0.00 178.44 177.73 2k5i h SER 4 N 0.17 0.00 -0.04 1.25 0.87 -1.83 -0.26 113.55 113.71 2k5i h SER 4 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2k5i h SER 4 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2k5i h SER 4 CO -0.03 0.00 0.00 -2.11 -0.53 0.00 0.00 176.83 174.16 2k5i n ARG 5 N -2.43 2.96 -2.16 2.24 1.85 -0.89 -4.99 116.66 113.24 2k5i n ARG 5 Ca -0.02 -1.55 -0.37 0.00 -1.00 0.00 0.00 57.85 54.91 2k5i n ARG 5 Cb 0.20 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 30.58 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 -0.99 3.99 -0.12 2.89 2.96 -0.11 -4.80 118.68 122.49 2k5i s LEU 6 Ca 0.02 2.41 -0.20 0.00 -0.22 0.00 0.00 54.13 56.14 2k5i s LEU 6 Cb 0.01 -4.23 -0.04 0.00 0.50 0.00 0.00 46.19 42.44 2k5i s LEU 6 CO 0.02 -1.04 0.57 -0.69 -1.32 0.00 0.00 176.35 173.89 2k5i s VAL 7 N -1.48 5.11 0.03 1.68 1.01 -1.26 -4.99 120.40 120.49 2k5i s VAL 7 Ca 0.65 1.14 -0.35 0.00 0.00 0.00 0.00 61.98 63.42 2k5i s VAL 7 Cb -0.31 -3.91 -0.14 0.00 0.00 0.00 0.00 36.38 32.02 2k5i s VAL 7 CO 0.38 0.25 1.67 -2.65 0.00 0.00 0.00 175.10 174.74 2k5i n PRO 8 N 4.06 1.95 0.00 2.72 -0.02 -1.26 -1.94 135.00 140.50 2k5i n PRO 8 Ca -0.04 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2k5i n PRO 8 Cb 0.51 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 3.71 2.98 3.62 -1.23 0.00 0.38 -4.97 105.19 109.68 2k5i n GLY 9 Ca 0.20 0.00 -0.41 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 -2.63 4.99 -0.18 1.61 1.01 -0.82 -4.96 120.40 119.42 2k5i s VAL 10 Ca 0.00 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 2k5i s VAL 10 Cb 0.00 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2k5i s VAL 10 CO 0.00 0.02 1.17 -2.16 0.00 0.00 0.00 175.10 174.13 2k5i s PRO 11 N 2.50 4.25 0.54 2.72 0.04 -1.26 -3.86 135.00 139.93 2k5i s PRO 11 Ca 0.26 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.87 2k5i s PRO 11 Cb -0.15 -3.71 0.02 0.00 0.04 0.00 0.00 34.50 30.70 2k5i s PRO 11 CO 0.09 -0.66 0.21 0.00 0.04 0.00 0.00 177.00 176.67 2k5i s ALA 12 N 3.30 4.37 -0.07 8.56 0.00 0.10 -1.87 121.76 136.15 2k5i s ALA 12 Ca 0.51 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 2k5i s ALA 12 Cb -0.19 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.59 2k5i s ALA 12 CO 0.12 -0.24 0.19 0.50 0.00 0.00 0.00 175.76 176.33 2k5i s ARG 13 N -4.10 0.20 0.36 0.00 3.52 -0.12 -0.57 118.95 118.23 2k5i s ARG 13 Ca 0.17 0.31 -0.28 0.00 -0.13 0.00 0.00 55.73 55.80 2k5i s ARG 13 Cb -0.01 0.03 -0.10 0.00 -1.56 0.00 0.00 34.95 33.31 2k5i s ARG 13 CO 0.11 -0.07 1.37 0.42 -0.81 0.00 0.00 175.30 176.32 2k5i s ILE 14 N 0.42 2.46 0.00 4.11 -1.09 -0.96 -0.60 121.20 125.54 2k5i s ILE 14 Ca -0.03 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 2k5i s ILE 14 Cb -0.04 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 2k5i s ILE 14 CO -0.02 0.10 0.00 0.29 -1.23 0.00 0.00 174.94 174.09 2k5i n LYS 15 N 0.60 0.00 -3.87 2.79 4.76 -0.18 -3.64 118.16 118.61 2k5i n LYS 15 Ca 0.01 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.34 2k5i n LYS 15 Cb 0.41 -0.09 -0.10 0.00 -1.84 0.00 0.00 35.03 33.41 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 -0.99 0.49 -0.34 1.97 3.03 -1.23 -4.35 118.95 117.53 2k5i s ARG 16 Ca 0.00 -0.40 -0.09 0.00 2.03 0.00 0.00 55.73 57.28 2k5i s ARG 16 Cb 0.00 0.20 0.02 0.00 -1.03 0.00 0.00 34.95 34.15 2k5i s ARG 16 CO 0.00 -0.12 0.14 -0.51 -1.13 0.00 0.00 175.30 173.69 2k5i s LEU 17 N -1.39 4.33 0.00 -1.89 1.02 -1.26 -1.41 118.68 118.08 2k5i s LEU 17 Ca -0.15 -0.90 0.04 0.00 0.02 0.00 0.00 54.13 53.15 2k5i s LEU 17 Cb -0.08 -1.95 0.16 0.00 0.02 0.00 0.00 46.19 44.34 2k5i s LEU 17 CO 0.02 -0.30 1.12 -1.84 0.02 0.00 0.00 176.35 175.37 2k5i n GLU 18 N 4.92 1.26 -4.24 1.70 0.28 -0.67 -4.82 120.64 119.07 2k5i n GLU 18 Ca -0.13 -0.41 -0.33 0.00 -0.16 0.00 0.00 57.16 56.14 2k5i n GLU 18 Cb 0.47 -1.10 -0.08 0.00 1.43 0.00 0.00 31.44 32.15 2k5i n GLU 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2k5i s VAL 19 N -1.85 4.29 0.33 3.84 0.11 -1.26 -5.06 120.40 120.80 2k5i s VAL 19 Ca 0.09 -0.55 0.09 0.00 -2.93 0.00 0.00 61.98 58.68 2k5i s VAL 19 Cb 0.05 -2.93 -0.05 0.00 -1.53 0.00 0.00 36.38 31.92 2k5i s VAL 19 CO 0.06 0.37 0.07 -0.44 -3.33 0.00 0.00 175.10 171.84 2k5i s SER 20 N -1.59 4.49 1.07 3.54 0.01 -1.26 -4.49 113.70 115.46 2k5i s SER 20 Ca 0.20 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2k5i s SER 20 Cb -0.12 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.43 2k5i s SER 20 CO 0.11 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2k5i n GLY 21 N -1.04 0.70 0.10 3.44 0.00 -1.26 -4.21 105.19 102.92 2k5i n GLY 21 Ca -0.04 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.12 -0.72 1.61 3.07 -2.02 -2.90 114.58 113.50 2k5i h GLU 22 Ca 0.00 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 2k5i h GLU 22 Cb 0.00 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 2k5i h GLU 22 CO 0.00 -0.08 0.19 1.25 -1.40 0.00 0.00 179.01 178.97 2k5i h LEU 23 N -0.13 1.08 -0.18 1.33 5.85 -1.95 -3.20 115.31 118.12 2k5i h LEU 23 Ca 0.01 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2k5i h LEU 23 Cb 0.13 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2k5i h LEU 23 CO -0.03 1.03 0.03 -0.74 -0.34 0.00 0.00 178.44 178.39 2k5i h HIS 24 N 1.09 0.06 -0.47 1.25 2.76 -1.70 -1.09 115.15 117.05 2k5i h HIS 24 Ca 0.23 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.34 2k5i h HIS 24 Cb 0.36 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 2k5i h HIS 24 CO 0.03 0.02 -0.01 1.05 -1.30 0.00 0.00 177.93 177.72 2k5i h GLU 25 N 0.11 0.78 -0.00 5.26 4.11 -1.55 -2.30 114.58 120.98 2k5i h GLU 25 Ca 0.08 -0.21 -0.18 0.00 0.07 0.00 0.00 59.36 59.12 2k5i h GLU 25 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2k5i h GLU 25 CO -0.11 0.79 -0.83 1.57 0.07 0.00 0.00 179.01 180.51 2k5i h LYS 26 N 0.73 0.09 0.44 1.06 2.10 -1.51 -2.84 116.57 116.63 2k5i h LYS 26 Ca 0.14 -0.10 -0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2k5i h LYS 26 Cb 0.45 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2k5i h LYS 26 CO 0.02 0.86 -0.21 -0.07 -2.00 0.00 0.00 179.45 178.05 2k5i h LEU 27 N 0.05 -0.50 -1.94 7.07 3.38 -0.91 -1.59 115.31 120.87 2k5i h LEU 27 Ca -0.02 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2k5i h LEU 27 Cb 1.44 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2k5i h LEU 27 CO 0.12 -0.34 0.10 -0.37 0.09 0.00 0.00 178.44 178.03 2k5i h VAL 28 N -0.60 0.97 -0.24 1.22 -1.51 -1.47 0.96 116.25 115.58 2k5i h VAL 28 Ca -0.06 -0.03 -0.06 0.00 -1.23 0.00 0.00 66.70 65.33 2k5i h VAL 28 Cb 0.46 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 2k5i h VAL 28 CO 0.10 0.01 -0.07 1.23 -1.23 0.00 0.00 177.57 177.61 2k5i h GLY 29 N 0.08 0.51 2.00 5.19 0.00 -1.27 -3.04 103.07 106.54 2k5i h GLY 29 Ca 0.06 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 2k5i h GLY 29 CO -0.01 0.39 -0.23 -0.33 0.00 0.00 0.00 176.54 176.37 2k5i h MET 30 N 0.21 0.00 0.00 4.80 2.07 -0.47 -3.46 114.93 118.07 2k5i h MET 30 Ca 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 2k5i h MET 30 Cb 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.27 2k5i h MET 30 CO 0.03 0.23 0.00 0.41 1.07 0.00 0.00 176.91 178.64 2k5i n GLY 31 N -0.49 -0.50 3.27 8.32 0.00 -0.25 -4.85 105.19 110.70 2k5i n GLY 31 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2k5i n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k5i n PHE 32 N 0.00 2.87 -4.26 1.61 3.01 0.17 -4.68 117.46 116.19 2k5i n PHE 32 Ca 0.00 -2.06 -0.17 0.00 1.01 0.00 0.00 57.45 56.23 2k5i n PHE 32 Cb 0.00 -2.28 -0.13 0.00 -0.01 0.00 0.00 39.48 37.05 2k5i n PHE 32 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2k5i s VAL 33 N 6.48 0.78 -0.73 -4.37 -7.23 -1.26 -3.85 120.40 110.22 2k5i s VAL 33 Ca 0.59 -0.76 -0.25 0.00 -1.81 0.00 0.00 61.98 59.74 2k5i s VAL 33 Cb 0.08 -0.72 -0.14 0.00 0.56 0.00 0.00 36.38 36.16 2k5i s VAL 33 CO 0.09 -0.02 2.41 -0.81 -0.31 0.00 0.00 175.10 176.45 2k5i n PRO 34 N 2.17 0.64 0.00 4.82 -0.04 -1.26 -2.07 135.00 139.26 2k5i n PRO 34 Ca -0.17 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 2k5i n PRO 34 Cb 0.56 -3.42 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 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 6.52 0.87 3.79 0.55 0.00 -1.24 -5.02 105.19 110.66 2k5i n GLY 35 Ca 0.46 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.09 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 4.36 0.26 1.61 0.41 -0.88 -4.93 118.70 119.53 2k5i s GLU 36 Ca 0.00 0.91 -0.26 0.00 -0.41 0.00 0.00 54.97 55.21 2k5i s GLU 36 Cb 0.00 -3.25 -0.09 0.00 -1.78 0.00 0.00 34.13 29.00 2k5i s GLU 36 CO 0.00 0.59 0.89 -1.21 -0.49 0.00 0.00 175.26 175.04 2k5i s GLU 37 N -1.06 4.60 -0.04 1.61 8.01 -1.26 -2.27 118.70 128.28 2k5i s GLU 37 Ca 0.32 1.27 -0.02 0.00 0.01 0.00 0.00 54.97 56.55 2k5i s GLU 37 Cb -0.21 -3.00 0.03 0.00 -4.31 0.00 0.00 34.13 26.64 2k5i s GLU 37 CO 0.22 0.40 0.10 -1.50 0.01 0.00 0.00 175.26 174.48 2k5i s ILE 38 N -1.43 -0.04 0.02 -1.63 2.07 0.27 -2.42 121.20 118.04 2k5i s ILE 38 Ca 0.45 0.15 0.08 0.00 -1.41 0.00 0.00 60.65 59.91 2k5i s ILE 38 Cb -0.21 -0.17 -0.02 0.00 0.13 0.00 0.00 42.46 42.19 2k5i s ILE 38 CO 0.26 0.06 -0.22 -1.83 -1.91 0.00 0.00 174.94 171.29 2k5i s GLU 39 N 0.86 1.63 -0.04 3.50 -1.05 -0.42 0.00 118.70 123.19 2k5i s GLU 39 Ca -0.07 -0.92 -0.22 0.00 -0.15 0.00 0.00 54.97 53.61 2k5i s GLU 39 Cb -0.09 -1.69 -0.04 0.00 -0.44 0.00 0.00 34.13 31.86 2k5i s GLU 39 CO -0.04 0.45 0.66 0.42 0.95 0.00 0.00 175.26 177.70 2k5i s ILE 40 N -0.69 4.98 -0.14 1.83 -1.09 -1.25 0.31 121.20 125.15 2k5i s ILE 40 Ca 0.09 1.38 -0.11 0.00 -2.23 0.00 0.00 60.65 59.78 2k5i s ILE 40 Cb -0.09 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 2k5i s ILE 40 CO 0.01 0.32 -0.21 0.52 -1.23 0.00 0.00 174.94 174.34 2k5i n VAL 41 N 3.36 1.35 -3.69 2.92 0.31 0.75 -0.47 118.33 122.87 2k5i n VAL 41 Ca -0.03 0.21 -0.13 0.00 -0.01 0.00 0.00 64.34 64.38 2k5i n VAL 41 Cb 0.51 -2.33 -0.07 0.00 -0.91 0.00 0.00 33.84 31.04 2k5i n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k5i s GLN 42 N -2.34 0.86 -0.13 5.55 -2.07 -1.13 -4.58 119.66 115.82 2k5i s GLN 42 Ca -0.18 -0.30 -0.02 0.00 -1.82 0.00 0.00 55.36 53.05 2k5i s GLN 42 Cb 0.02 0.38 -0.02 0.00 -1.09 0.00 0.00 33.01 32.30 2k5i s GLN 42 CO 0.26 -0.28 -0.08 0.08 -1.32 0.00 0.00 175.29 173.96 2k5i s VAL 43 N -2.13 3.57 0.69 3.63 1.01 -1.26 -1.25 120.40 124.66 2k5i s VAL 43 Ca -0.08 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 2k5i s VAL 43 Cb -0.02 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2k5i s VAL 43 CO -0.00 0.53 1.21 0.00 0.00 0.00 0.00 175.10 176.84 2k5i n ALA 44 N 3.24 0.68 0.09 5.51 0.00 -0.58 -4.85 120.51 124.60 2k5i n ALA 44 Ca -0.18 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.21 2k5i n ALA 44 Cb 0.53 -2.27 0.20 0.00 0.00 0.00 0.00 19.45 17.90 2k5i n ALA 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k5i n PRO 45 N -2.13 0.04 -0.09 0.00 -0.04 -1.26 -0.26 135.00 131.27 2k5i n PRO 45 Ca 0.15 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.22 2k5i n PRO 45 Cb 0.49 -1.64 0.13 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.73 2.90 0.00 1.53 4.32 -1.26 -4.97 117.00 117.79 2k5i n LEU 46 Ca -0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 56.01 54.71 2k5i n LEU 46 Cb 0.03 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 2k5i n LEU 46 CO 0.04 0.58 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 2k5i n GLY 47 N 1.15 1.75 3.54 -0.72 0.00 0.64 -4.96 105.19 106.59 2k5i n GLY 47 Ca 0.14 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 5.15 0.04 1.61 2.15 -1.26 -4.29 116.67 120.06 2k5i s ASP 48 Ca 0.00 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.92 2k5i s ASP 48 Cb 0.00 -1.87 0.00 0.00 -0.30 0.00 0.00 42.92 40.75 2k5i s ASP 48 CO 0.00 0.15 0.00 -0.81 -0.17 0.00 0.00 175.17 174.34 2k5i n PRO 49 N 3.69 1.58 -5.12 4.34 -0.04 -1.26 -4.76 135.00 133.42 2k5i n PRO 49 Ca -0.17 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 2k5i n PRO 49 Cb 0.52 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.82 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 1.22 1.87 -0.23 0.52 -0.00 -0.32 -1.53 121.20 122.73 2k5i s ILE 50 Ca 0.00 -0.95 -0.14 0.00 -0.00 0.00 0.00 60.65 59.56 2k5i s ILE 50 Cb 0.00 -1.60 -0.04 0.00 -0.00 0.00 0.00 42.46 40.82 2k5i s ILE 50 CO 0.00 0.52 0.33 -0.69 -0.00 0.00 0.00 174.94 175.10 2k5i s VAL 51 N 0.07 5.23 0.51 8.37 1.01 -0.38 -1.31 120.40 133.91 2k5i s VAL 51 Ca -0.09 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2k5i s VAL 51 Cb -0.15 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2k5i s VAL 51 CO 0.05 0.24 0.02 0.00 0.00 0.00 0.00 175.10 175.41 2k5i s LYS 53 N -3.87 0.30 -0.27 0.00 1.02 0.15 0.26 119.74 117.33 2k5i s LYS 53 Ca 0.04 -0.08 -0.08 0.00 0.02 0.00 0.00 55.97 55.87 2k5i s LYS 53 Cb 0.01 -1.57 -0.02 0.00 -0.52 0.00 0.00 37.83 35.73 2k5i s LYS 53 CO 0.03 -0.55 0.10 0.42 -0.92 0.00 0.00 175.35 174.43 2k5i s ILE 54 N 2.04 4.44 -1.28 2.17 1.01 0.29 -1.31 121.20 128.57 2k5i s ILE 54 Ca 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 2k5i s ILE 54 Cb -0.15 -3.15 -0.00 0.00 0.01 0.00 0.00 42.46 39.17 2k5i s ILE 54 CO -0.07 0.24 0.72 0.61 0.00 0.00 0.00 174.94 176.44 2k5i n GLY 55 N 4.95 -0.39 4.05 6.18 0.00 -1.01 -2.48 105.19 116.48 2k5i n GLY 55 Ca -0.15 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.04 0.00 -4.82 1.61 5.03 -1.26 -4.98 115.26 107.80 2k5i n ASN 56 Ca -0.27 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 54.82 2k5i n ASN 56 Cb 0.67 -0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.37 2k5i n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k5i s ARG 57 N 0.00 4.20 -0.32 3.52 1.70 -1.04 -4.99 118.95 122.02 2k5i s ARG 57 Ca 0.00 0.81 -0.26 0.00 -0.47 0.00 0.00 55.73 55.81 2k5i s ARG 57 Cb 0.00 -2.86 0.01 0.00 -0.57 0.00 0.00 34.95 31.53 2k5i s ARG 57 CO 0.00 0.39 0.92 -0.80 -1.08 0.00 0.00 175.30 174.73 2k5i s ASN 58 N -1.70 6.77 -0.31 -2.89 -0.87 -1.26 -0.54 114.94 114.13 2k5i s ASN 58 Ca 0.43 0.78 -0.06 0.00 -1.57 0.00 0.00 52.86 52.44 2k5i s ASN 58 Cb -0.16 -2.47 0.02 0.00 -0.02 0.00 0.00 41.25 38.62 2k5i s ASN 58 CO 0.20 -0.76 0.08 -0.63 -2.57 0.00 0.00 177.10 173.43 2k5i s ILE 59 N 3.32 3.85 -0.43 0.60 -1.09 0.14 -4.95 121.20 122.64 2k5i s ILE 59 Ca 0.38 -0.89 -0.25 0.00 -2.23 0.00 0.00 60.65 57.67 2k5i s ILE 59 Cb -0.13 -3.06 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 2k5i s ILE 59 CO 0.15 -0.02 0.90 -0.89 -1.23 0.00 0.00 174.94 173.84 2k5i s THR 60 N 1.45 4.55 -0.08 2.92 2.01 -1.26 -0.90 115.64 124.33 2k5i s THR 60 Ca 0.01 0.84 0.03 0.00 0.31 0.00 0.00 61.69 62.88 2k5i s THR 60 Cb -0.18 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 2k5i s THR 60 CO 0.02 -0.70 -0.16 -0.22 -0.69 0.00 0.00 174.62 172.87 2k5i s LEU 61 N 3.57 2.60 0.29 4.42 1.98 -0.42 -5.00 118.68 126.11 2k5i s LEU 61 Ca 0.36 -0.31 -0.29 0.00 -2.89 0.00 0.00 54.13 51.00 2k5i s LEU 61 Cb -0.11 -1.54 -0.10 0.00 0.66 0.00 0.00 46.19 45.10 2k5i s LEU 61 CO 0.23 0.26 1.18 -0.13 -1.89 0.00 0.00 176.35 175.99 2k5i s ARG 62 N -0.20 4.53 0.17 1.98 1.81 -1.26 -1.18 118.95 124.80 2k5i s ARG 62 Ca -0.00 1.95 -0.15 0.00 -1.72 0.00 0.00 55.73 55.81 2k5i s ARG 62 Cb -0.13 -3.15 0.09 0.00 -0.45 0.00 0.00 34.95 31.30 2k5i s ARG 62 CO 0.03 0.06 1.77 -0.22 -0.68 0.00 0.00 175.30 176.26 2k5i h LYS 63 N 3.79 0.37 -0.28 3.54 3.64 -1.89 0.61 116.57 126.35 2k5i h LYS 63 Ca -0.47 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 2k5i h LYS 63 Cb 1.22 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 2k5i h LYS 63 CO 0.67 0.25 0.14 0.07 -2.27 0.00 0.00 179.45 178.31 2k5i h ARG 64 N 0.39 0.38 0.07 1.90 0.11 -1.96 -2.29 114.38 112.98 2k5i h ARG 64 Ca 0.19 -0.03 -0.28 0.00 0.10 0.00 0.00 59.98 59.95 2k5i h ARG 64 Cb 0.12 -0.08 0.02 0.00 1.11 0.00 0.00 29.97 31.15 2k5i h ARG 64 CO -0.15 0.30 -1.15 0.93 0.10 0.00 0.00 179.97 179.99 2k5i h GLU 65 N 0.39 0.60 0.00 0.08 4.39 -1.69 -3.26 114.58 115.09 2k5i h GLU 65 Ca 0.10 -0.74 -0.01 0.00 0.34 0.00 0.00 59.36 59.05 2k5i h GLU 65 Cb 0.04 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2k5i h GLU 65 CO -0.01 1.32 -0.04 0.00 -1.16 0.00 0.00 179.01 179.12 2k5i h ALA 66 N 0.40 1.27 -0.03 3.43 0.00 -0.36 -0.73 119.26 123.25 2k5i h ALA 66 Ca -0.15 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k5i h ALA 66 Cb 1.82 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 2k5i h ALA 66 CO 0.22 0.05 0.05 0.22 0.00 0.00 0.00 179.25 179.78 2k5i h ASP 67 N 0.00 0.00 -0.48 0.00 3.58 -1.52 -2.32 116.42 115.68 2k5i h ASP 67 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k5i h ASP 67 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2k5i h ASP 67 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 2k5i n LEU 68 N -3.49 3.02 -4.37 2.28 4.77 -0.28 -4.76 117.00 114.17 2k5i n LEU 68 Ca -0.02 -1.43 -0.34 0.00 -0.03 0.00 0.00 56.01 54.18 2k5i n LEU 68 Cb 0.13 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 40.76 2k5i n LEU 68 CO 0.24 0.72 -0.39 -0.63 -1.33 0.00 0.00 177.39 175.99 2k5i s ILE 69 N -1.36 3.40 -0.09 -0.08 1.09 -0.88 -1.66 121.20 121.62 2k5i s ILE 69 Ca 0.38 -0.51 -0.15 0.00 -1.10 0.00 0.00 60.65 59.28 2k5i s ILE 69 Cb 0.21 -2.50 -0.05 0.00 -1.06 0.00 0.00 42.46 39.06 2k5i s ILE 69 CO 0.28 0.47 0.36 -0.70 -0.10 0.00 0.00 174.94 175.25 2k5i s GLU 70 N 0.90 4.08 0.12 2.79 2.56 -0.50 -2.22 118.70 126.43 2k5i s GLU 70 Ca -0.01 0.27 0.03 0.00 0.00 0.00 0.00 54.97 55.26 2k5i s GLU 70 Cb -0.15 -3.33 -0.04 0.00 2.00 0.00 0.00 34.13 32.61 2k5i s GLU 70 CO 0.01 0.43 -0.08 0.14 -0.56 0.00 0.00 175.26 175.20 2k5i s VAL 71 N -0.19 0.89 -0.01 3.70 -7.23 -1.24 -1.01 120.40 115.31 2k5i s VAL 71 Ca 0.21 -1.98 0.06 0.00 -1.81 0.00 0.00 61.98 58.46 2k5i s VAL 71 Cb -0.15 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 2k5i s VAL 71 CO 0.09 -0.81 -0.19 -1.83 -0.31 0.00 0.00 175.10 172.04 2k5i s GLU 72 N -3.77 2.22 -0.33 4.82 -1.05 0.24 -4.62 118.70 116.21 2k5i s GLU 72 Ca 0.14 -0.87 -0.28 0.00 -0.15 0.00 0.00 54.97 53.81 2k5i s GLU 72 Cb 0.04 -2.20 0.01 0.00 -0.44 0.00 0.00 34.13 31.54 2k5i s GLU 72 CO -0.02 0.58 1.01 0.08 0.95 0.00 0.00 175.26 177.85 2k5i s VAL 73 N -0.76 4.56 -0.08 1.83 1.01 -1.26 -0.95 120.40 124.75 2k5i s VAL 73 Ca 0.12 1.55 0.26 0.00 0.00 0.00 0.00 61.98 63.90 2k5i s VAL 73 Cb -0.10 -4.37 0.29 0.00 0.00 0.00 0.00 36.38 32.20 2k5i s VAL 73 CO 0.02 -0.47 1.77 0.58 0.00 0.00 0.00 175.10 176.99 2k5i h VAL 74 N 5.74 0.26 -0.38 2.92 2.07 -1.70 -3.45 116.25 121.72 2k5i h VAL 74 Ca -0.22 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2k5i h VAL 74 Cb 1.07 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2k5i h VAL 74 CO 1.00 0.12 0.00 0.61 0.02 0.00 0.00 177.57 179.33 2k5i n GLY 75 N 0.52 -1.70 0.13 2.17 0.00 -1.26 -5.01 105.19 100.04 2k5i n GLY 75 Ca 0.02 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 2k5i n GLY 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k5i h GLY 76 N 0.00 0.27 -1.77 -0.02 0.00 -1.99 -3.50 103.07 96.06 2k5i h GLY 76 Ca 0.00 -0.69 -0.51 0.00 0.00 0.00 0.00 47.33 46.14 2k5i h GLY 76 CO 0.00 0.60 -0.48 -1.83 0.00 0.00 0.00 176.54 174.83 2k5i s GLU 77 N -2.52 1.83 -0.00 4.80 1.03 -1.26 -4.99 118.70 117.58 2k5i s GLU 77 Ca -0.23 -2.08 -0.00 0.00 0.03 0.00 0.00 54.97 52.69 2k5i s GLU 77 Cb 0.06 0.16 0.00 0.00 -0.80 0.00 0.00 34.13 33.56 2k5i s GLU 77 CO 0.75 -0.64 0.01 -0.48 -1.33 0.00 0.00 175.26 173.56 2k5i s LEU 78 N -3.43 1.96 0.85 1.83 2.34 -0.38 -4.97 118.68 116.88 2k5i s LEU 78 Ca 0.37 0.01 -0.12 0.00 0.06 0.00 0.00 54.13 54.45 2k5i s LEU 78 Cb 0.02 0.02 0.11 0.00 -0.56 0.00 0.00 46.19 45.77 2k5i s LEU 78 CO 0.26 -0.00 1.19 -0.81 -1.06 0.00 0.00 176.35 175.93 2k5i n PRO 79 N 3.10 -0.06 -0.19 1.48 -0.04 -1.26 -0.41 135.00 137.62 2k5i n PRO 79 Ca -0.12 0.06 0.09 0.00 -0.04 0.00 0.00 63.50 63.49 2k5i n PRO 79 Cb 0.60 -2.42 0.38 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.28 0.61 -2.17 1.53 7.12 -0.21 -0.22 115.31 120.70 2k5i h LEU 80 Ca -0.45 0.01 0.04 0.00 0.13 0.00 0.00 57.88 57.62 2k5i h LEU 80 Cb 1.29 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.30 2k5i h LEU 80 CO 0.44 0.37 0.13 -0.29 -0.13 0.00 0.00 178.44 178.96 2k5i h ILE 81 N 0.68 0.70 -0.26 4.05 6.09 -1.84 -0.53 117.51 126.40 2k5i h ILE 81 Ca 0.35 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.84 2k5i h ILE 81 Cb 0.45 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.64 2k5i h ILE 81 CO -0.13 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.13 2k5i n LEU 82 N -4.15 1.59 -4.58 2.19 4.77 -0.09 -4.89 117.00 111.85 2k5i n LEU 82 Ca 0.01 -0.76 -0.42 0.00 -0.03 0.00 0.00 56.01 54.80 2k5i n LEU 82 Cb 0.25 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2k5i n LEU 82 CO 0.31 0.38 1.90 0.00 -1.33 0.00 0.00 177.39 178.65 2k5i n ALA 83 N 0.34 1.51 0.19 -1.18 0.00 -0.21 -4.78 120.51 116.38 2k5i n ALA 83 Ca 0.12 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.08 2k5i n ALA 83 Cb 0.27 -2.96 -0.04 0.00 0.00 0.00 0.00 19.45 16.72 2k5i n ALA 83 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k5i h ASP 84 N 15.96 -0.44 -5.47 0.00 1.82 -1.90 -3.49 116.42 122.91 2k5i h ASP 84 Ca -0.36 0.02 0.20 0.00 -0.39 0.00 0.00 57.03 56.50 2k5i h ASP 84 Cb 1.25 0.11 -0.06 0.00 0.68 0.00 0.00 39.33 41.32 2k5i h ASP 84 CO 1.01 -0.16 0.61 1.51 -1.61 0.00 0.00 179.24 180.60 2k5i s ASP 85 N -3.97 -0.05 0.75 2.28 -4.77 -1.26 -4.84 116.67 104.82 2k5i s ASP 85 Ca -0.08 -0.51 0.00 0.00 -3.30 0.00 0.00 52.55 48.67 2k5i s ASP 85 Cb 0.01 0.43 0.00 0.00 -1.09 0.00 0.00 42.92 42.27 2k5i s ASP 85 CO 0.23 -0.83 0.00 0.61 0.70 0.00 0.00 175.17 175.87 2k5i n GLY 86 N -0.63 0.58 3.34 2.12 0.00 -0.98 -4.82 105.19 104.79 2k5i n GLY 86 Ca -0.04 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 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 2.36 0.26 2.61 2.01 -1.26 -1.07 115.64 120.55 2k5i s THR 87 Ca 0.00 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.07 2k5i s THR 87 Cb 0.00 -1.87 -0.06 0.00 0.01 0.00 0.00 72.50 70.59 2k5i s THR 87 CO 0.00 0.58 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.17 2k5i s TYR 88 N -0.45 1.77 -0.11 4.92 1.51 -0.82 -1.55 117.35 122.62 2k5i s TYR 88 Ca 0.05 -0.82 0.01 0.00 -1.01 0.00 0.00 57.07 55.31 2k5i s TYR 88 Cb -0.12 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.73 2k5i s TYR 88 CO 0.01 0.12 -0.14 -2.00 -1.11 0.00 0.00 175.55 172.43 2k5i s GLU 89 N -3.80 2.09 0.01 -0.62 2.12 0.10 0.04 118.70 118.65 2k5i s GLU 89 Ca 0.29 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.81 2k5i s GLU 89 Cb 0.05 -1.82 -0.05 0.00 0.26 0.00 0.00 34.13 32.57 2k5i s GLU 89 CO 0.10 -0.09 1.30 -1.50 -0.54 0.00 0.00 175.26 174.53 2k5i s ILE 90 N 1.07 3.89 -0.07 -3.70 2.07 -0.58 -0.30 121.20 123.59 2k5i s ILE 90 Ca -0.05 1.30 0.05 0.00 -1.41 0.00 0.00 60.65 60.53 2k5i s ILE 90 Cb -0.15 -3.83 -0.08 0.00 0.13 0.00 0.00 42.46 38.54 2k5i s ILE 90 CO -0.03 0.03 -0.00 1.07 -1.91 0.00 0.00 174.94 174.10 2k5i n THR 91 N 4.40 0.47 -3.49 4.00 5.66 -0.49 -0.83 114.28 124.00 2k5i n THR 91 Ca 0.11 -0.26 -0.11 0.00 -3.05 0.00 0.00 64.05 60.74 2k5i n THR 91 Cb 0.45 -0.82 -0.03 0.00 -1.55 0.00 0.00 70.33 68.38 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 -2.17 1.24 0.23 1.09 -2.85 -1.19 -4.82 119.74 111.27 2k5i s LYS 92 Ca -0.06 -0.55 0.11 0.00 -1.00 0.00 0.00 55.97 54.47 2k5i s LYS 92 Cb 0.02 0.56 -0.05 0.00 -2.06 0.00 0.00 37.83 36.30 2k5i s LYS 92 CO 0.26 -0.53 -0.20 -0.51 0.10 0.00 0.00 175.35 174.47 2k5i s LEU 93 N -2.77 2.52 -0.26 2.77 2.01 -1.26 -1.57 118.68 120.12 2k5i s LEU 93 Ca 0.02 -0.96 -0.01 0.00 0.01 0.00 0.00 54.13 53.19 2k5i s LEU 93 Cb -0.00 -1.02 0.08 0.00 0.01 0.00 0.00 46.19 45.25 2k5i s LEU 93 CO -0.12 0.02 0.04 0.20 1.01 0.00 0.00 176.35 177.50 2k5i s ASN 94 N -3.15 3.71 0.00 2.29 0.01 -0.19 -4.98 114.94 112.63 2k5i s ASN 94 Ca 0.25 -1.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.07 2k5i s ASN 94 Cb -0.05 -0.91 0.00 0.00 0.41 0.00 0.00 41.25 40.70 2k5i s ASN 94 CO 0.11 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 175.98 2k5i n GLY 95 N 4.83 -0.74 2.30 0.66 0.00 -1.26 -4.74 105.19 106.23 2k5i n GLY 95 Ca -0.06 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 1.43 0.11 -0.02 0.00 -1.26 -4.91 105.19 100.54 2k5i n GLY 96 Ca 0.00 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 2k5i n GLY 96 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k5i h ARG 97 N 0.00 0.14 -0.88 1.61 1.12 -2.02 -1.74 114.38 112.61 2k5i h ARG 97 Ca -0.17 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.67 2k5i h ARG 97 Cb 0.73 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.62 2k5i h ARG 97 CO 0.22 0.09 0.48 -0.09 -3.11 0.00 0.00 179.97 177.56 2k5i h ARG 98 N 0.15 1.22 -0.02 0.20 9.65 -1.99 -1.75 114.38 121.84 2k5i h ARG 98 Ca 0.10 -0.14 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 2k5i h ARG 98 Cb 0.09 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 28.38 2k5i h ARG 98 CO -0.12 0.90 -0.23 0.35 2.80 0.00 0.00 179.97 183.67 2k5i h PHE 99 N 1.22 -0.60 -0.47 2.20 3.57 -1.80 -0.89 116.94 120.16 2k5i h PHE 99 Ca 0.31 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.87 2k5i h PHE 99 Cb 0.03 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 2k5i h PHE 99 CO 0.01 -0.31 0.24 -0.07 -2.23 0.00 0.00 178.31 175.94 2k5i h LEU 100 N -0.35 0.34 -0.11 0.59 3.38 -1.11 -1.54 115.31 116.51 2k5i h LEU 100 Ca 0.07 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2k5i h LEU 100 Cb 0.44 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2k5i h LEU 100 CO -0.22 0.24 -0.06 0.15 0.09 0.00 0.00 178.44 178.64 2k5i h PHE 101 N 0.47 -0.13 -0.31 1.13 3.57 -0.95 -2.53 116.94 118.19 2k5i h PHE 101 Ca 0.21 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.60 2k5i h PHE 101 Cb 0.12 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2k5i h PHE 101 CO -0.10 -0.09 -0.28 0.00 -2.23 0.00 0.00 178.31 175.60 2k5i h ARG 102 N -0.05 0.74 -0.40 1.11 3.08 -1.00 -3.11 114.38 114.74 2k5i h ARG 102 Ca 0.06 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 2k5i h ARG 102 Cb 0.14 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2k5i h ARG 102 CO -0.14 1.00 0.20 0.52 -1.07 0.00 0.00 179.97 180.48 2k5i h MET 103 N 0.49 0.55 -0.22 0.04 2.86 -1.23 0.08 114.93 117.52 2k5i h MET 103 Ca 0.05 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2k5i h MET 103 Cb 0.85 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2k5i h MET 103 CO 0.07 0.42 0.00 0.87 1.06 0.00 0.00 176.91 179.33 2k5i h LYS 104 N 0.56 0.31 -0.33 1.72 1.57 -1.39 -0.34 116.57 118.68 2k5i h LYS 104 Ca 0.14 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.70 2k5i h LYS 104 Cb 0.04 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2k5i h LYS 104 CO -0.02 0.34 -0.47 -0.91 -0.57 0.00 0.00 179.45 177.82 2k5i h ASN 105 N 0.31 0.99 0.50 0.86 2.35 -0.96 -3.06 115.58 116.57 2k5i h ASN 105 Ca 0.07 -0.50 -0.09 0.00 -0.55 0.00 0.00 56.30 55.23 2k5i h ASN 105 Cb 0.21 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2k5i h ASN 105 CO 0.00 1.30 -0.42 -0.07 -1.65 0.00 0.00 177.43 176.59 2k5i h LEU 106 N 0.70 0.00 0.00 1.61 -0.00 -1.01 -3.47 115.31 113.14 2k5i h LEU 106 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2k5i h LEU 106 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 2k5i h LEU 106 CO 0.11 0.42 0.00 0.61 -0.00 0.00 0.00 178.44 179.57 2k5i n GLY 107 N -0.20 0.99 2.97 0.83 0.00 -0.20 -4.84 105.19 104.74 2k5i n GLY 107 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.34 -0.09 -0.61 -0.00 -0.80 -4.56 119.36 116.64 2k5i n ILE 108 Ca 0.00 -3.07 -0.13 0.00 -0.00 0.00 0.00 62.75 59.55 2k5i n ILE 108 Cb 0.00 -2.51 -0.05 0.00 -0.00 0.00 0.00 39.64 37.08 2k5i n ILE 108 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2k5i n GLU 109 N 6.74 0.52 0.00 6.28 0.28 -1.26 -4.25 120.64 128.96 2k5i n GLU 109 Ca 0.51 0.37 0.00 0.00 -0.16 0.00 0.00 57.16 57.88 2k5i n GLU 109 Cb 0.41 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.71 2k5i n GLU 109 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k5i n SER 110 N -4.47 0.00 -3.09 -1.84 2.88 -1.26 -4.89 113.62 100.95 2k5i n SER 110 Ca -0.21 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.12 2k5i n SER 110 Cb 0.52 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.04 2k5i n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5i n GLY 111 N -0.25 -0.40 3.35 0.46 0.00 -0.01 -5.01 105.19 103.33 2k5i n GLY 111 Ca 0.00 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2k5i n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5i s LYS 112 N -5.97 2.69 -0.31 1.61 -0.14 -1.25 -4.94 119.74 111.42 2k5i s LYS 112 Ca 0.44 -0.80 -0.28 0.00 -1.36 0.00 0.00 55.97 53.96 2k5i s LYS 112 Cb -0.19 -2.31 0.01 0.00 -1.68 0.00 0.00 37.83 33.66 2k5i s LYS 112 CO 0.54 0.42 1.04 0.15 -0.76 0.00 0.00 175.35 176.75 2k5i s LYS 113 N -0.24 4.07 -0.32 1.68 3.01 -1.26 -1.53 119.74 125.16 2k5i s LYS 113 Ca -0.00 1.05 -0.12 0.00 -1.01 0.00 0.00 55.97 55.89 2k5i s LYS 113 Cb -0.13 -3.73 -0.03 0.00 -1.01 0.00 0.00 37.83 32.93 2k5i s LYS 113 CO 0.03 -0.86 0.21 -1.50 0.51 0.00 0.00 175.35 173.75 2k5i s ILE 114 N 3.55 5.23 -0.42 2.17 1.10 0.11 -4.36 121.20 128.56 2k5i s ILE 114 Ca 0.44 -0.10 -0.29 0.00 -0.51 0.00 0.00 60.65 60.19 2k5i s ILE 114 Cb -0.13 -3.61 0.02 0.00 0.15 0.00 0.00 42.46 38.89 2k5i s ILE 114 CO 0.14 0.09 1.23 -1.10 -2.11 0.00 0.00 174.94 173.19 2k5i s GLN 115 N 1.73 3.73 -0.39 3.50 -1.52 -0.15 -1.94 119.66 124.62 2k5i s GLN 115 Ca 0.06 0.80 -0.09 0.00 -1.95 0.00 0.00 55.36 54.18 2k5i s GLN 115 Cb -0.17 -3.92 0.06 0.00 -0.22 0.00 0.00 33.01 28.76 2k5i s GLN 115 CO 0.10 -1.36 0.22 0.08 -0.25 0.00 0.00 175.29 174.08 2k5i s VAL 116 N 4.66 4.19 -0.36 1.09 1.01 -0.23 -1.61 120.40 129.15 2k5i s VAL 116 Ca 0.53 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2k5i s VAL 116 Cb -0.11 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 32.89 2k5i s VAL 116 CO 0.29 -0.39 0.11 -0.55 0.00 0.00 0.00 175.10 174.56 2k5i s SER 117 N 1.85 4.97 0.12 3.32 0.15 -0.53 -2.31 113.70 121.27 2k5i s SER 117 Ca 0.02 -2.02 0.00 0.00 0.70 0.00 0.00 55.95 54.65 2k5i s SER 117 Cb -0.21 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 2k5i s SER 117 CO 0.03 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2k5i n GLY 118 N 4.43 0.19 0.00 9.45 0.00 -1.26 -1.31 105.19 116.69 2k5i n GLY 118 Ca -0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 0.00 2.43 -5.07 1.61 3.00 -1.26 -5.03 116.66 112.34 2k5i n ARG 119 Ca 0.00 -1.33 -0.31 0.00 -0.01 0.00 0.00 57.85 56.20 2k5i n ARG 119 Cb 0.00 -0.96 -0.15 0.00 0.00 0.00 0.00 32.46 31.35 2k5i n ARG 119 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2k5i s ARG 120 N -0.84 1.97 -0.05 5.56 1.70 -0.42 -5.06 118.95 121.80 2k5i s ARG 120 Ca 0.00 -1.02 0.02 0.00 -0.47 0.00 0.00 55.73 54.26 2k5i s ARG 120 Cb 0.00 -2.03 0.01 0.00 -0.57 0.00 0.00 34.95 32.37 2k5i s ARG 120 CO 0.00 0.54 -0.10 0.71 -1.08 0.00 0.00 175.30 175.37 2k5i s TYR 121 N -0.73 1.22 -0.03 5.89 2.02 -1.26 -1.46 117.35 123.00 2k5i s TYR 121 Ca 0.11 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 2k5i s TYR 121 Cb -0.10 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.54 2k5i s TYR 121 CO 0.01 -0.23 -0.10 0.71 -1.57 0.00 0.00 175.55 174.37 2k5i s TYR 122 N 0.67 1.09 -0.39 2.71 2.02 -0.63 -1.16 117.35 121.65 2k5i s TYR 122 Ca -0.13 -0.30 -0.04 0.00 -0.37 0.00 0.00 57.07 56.24 2k5i s TYR 122 Cb -0.15 -0.78 0.09 0.00 -0.40 0.00 0.00 41.96 40.72 2k5i s TYR 122 CO 0.02 -0.14 0.17 0.42 -1.57 0.00 0.00 175.55 174.46 2k5i s ILE 123 N 0.31 3.38 -0.97 2.71 -1.09 0.05 -0.97 121.20 124.61 2k5i s ILE 123 Ca -0.06 -1.83 -0.05 0.00 -2.23 0.00 0.00 60.65 56.49 2k5i s ILE 123 Cb -0.10 -3.21 0.01 0.00 -1.58 0.00 0.00 42.46 37.57 2k5i s ILE 123 CO 0.01 -0.55 0.10 -1.84 -1.23 0.00 0.00 174.94 171.43 2k5i n GLU 124 N 4.65 -0.86 0.00 2.79 0.28 -1.26 -0.73 120.64 125.51 2k5i n GLU 124 Ca -0.05 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 2k5i n GLU 124 Cb 0.42 -2.11 0.00 0.00 1.43 0.00 0.00 31.44 31.18 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 -1.97 2.25 3.74 -1.84 0.00 -1.26 -5.08 105.19 101.02 2k5i n GLY 125 Ca -0.18 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 4.50 -0.31 1.61 6.06 0.09 -5.04 118.95 125.86 2k5i s ARG 126 Ca 0.00 1.08 -0.23 0.00 -2.50 0.00 0.00 55.73 54.08 2k5i s ARG 126 Cb 0.00 -3.38 -0.00 0.00 0.06 0.00 0.00 34.95 31.63 2k5i s ARG 126 CO 0.00 0.25 0.75 -1.83 -2.50 0.00 0.00 175.30 171.97 2k5i s GLU 127 N 0.07 3.93 0.29 5.12 4.04 -1.26 -0.77 118.70 130.11 2k5i s GLU 127 Ca 0.39 0.50 -0.29 0.00 0.04 0.00 0.00 54.97 55.61 2k5i s GLU 127 Cb -0.20 -3.74 -0.09 0.00 0.02 0.00 0.00 34.13 30.12 2k5i s GLU 127 CO 0.23 -0.67 1.05 0.42 -1.84 0.00 0.00 175.26 174.45 2k5i s ILE 128 N 2.90 3.66 -0.39 1.83 -1.09 -0.31 -4.95 121.20 122.84 2k5i s ILE 128 Ca 0.31 1.62 0.07 0.00 -2.23 0.00 0.00 60.65 60.42 2k5i s ILE 128 Cb -0.14 -4.01 0.55 0.00 -1.58 0.00 0.00 42.46 37.28 2k5i s ILE 128 CO 0.13 0.35 1.53 -0.67 -1.23 0.00 0.00 174.94 175.04 2k5i n ASP 129 N 1.10 4.05 -4.88 3.58 2.03 -1.26 -4.73 116.55 116.44 2k5i n ASP 129 Ca -0.01 -2.90 -0.33 0.00 0.52 0.00 0.00 54.79 52.08 2k5i n ASP 129 Cb 0.46 -0.69 -0.05 0.00 -0.72 0.00 0.00 41.12 40.12 2k5i n ASP 129 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k5i s LEU 130 N -2.18 4.27 0.13 -2.67 1.43 -1.26 -5.01 118.68 113.38 2k5i s LEU 130 Ca 0.40 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 2k5i s LEU 130 Cb 0.32 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 43.22 2k5i s LEU 130 CO 0.10 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.34 2k5i n GLY 131 N 0.31 -0.18 1.35 -3.19 0.00 -1.26 -4.95 105.19 97.27 2k5i n GLY 131 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.03 -0.29 -0.05 1.61 4.19 -1.26 -4.79 117.16 113.54 2k5i n TYR 132 Ca 0.00 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.12 2k5i n TYR 132 Cb 0.00 0.34 -0.02 0.00 0.49 0.00 0.00 39.34 40.14 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 0.28 1.87 2.98 0.00 -2.01 -2.22 103.07 103.96 2k5i h GLY 133 Ca 0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 47.33 47.09 2k5i h GLY 133 CO 0.00 0.04 -0.87 0.83 0.00 0.00 0.00 176.54 176.54 2k5i h GLU 134 N 0.19 0.12 -0.68 4.80 4.39 -1.98 -3.31 114.58 118.11 2k5i h GLU 134 Ca 0.10 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k5i h GLU 134 Cb 0.06 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 2k5i h GLU 134 CO -0.09 0.91 0.41 0.00 -1.16 0.00 0.00 179.01 179.08 2k5i h ALA 135 N 1.04 1.44 0.00 3.43 0.00 -1.76 -2.45 119.26 120.96 2k5i h ALA 135 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k5i h ALA 135 Cb 1.51 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k5i h ALA 135 CO 0.13 0.48 0.00 -2.37 0.00 0.00 0.00 179.25 177.49 2k5i n THR 136 N -4.40 1.23 0.19 0.00 5.66 -0.87 -2.05 114.28 114.04 2k5i n THR 136 Ca 0.07 0.31 0.12 0.00 -3.05 0.00 0.00 64.05 61.49 2k5i n THR 136 Cb 0.07 -1.15 0.11 0.00 -1.55 0.00 0.00 70.33 67.81 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 0.00 -5.61 1.09 1.79 -1.64 -3.44 116.57 108.76 2k5i h LYS 137 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 2k5i h LYS 137 Cb 0.15 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.71 2k5i h LYS 137 CO 0.00 0.00 -0.24 0.42 -1.08 0.00 0.00 179.45 178.55 2k5i s ILE 138 N -3.27 5.25 -0.21 1.86 1.09 -0.87 -1.02 121.20 124.03 2k5i s ILE 138 Ca 0.04 0.73 -0.05 0.00 -1.10 0.00 0.00 60.65 60.28 2k5i s ILE 138 Cb 0.07 -3.72 -0.02 0.00 -1.06 0.00 0.00 42.46 37.73 2k5i s ILE 138 CO 0.71 0.36 -0.00 0.26 -0.10 0.00 0.00 174.94 176.17 2k5i s TRP 139 N 0.53 3.02 0.42 3.97 0.52 -0.61 0.30 118.94 127.09 2k5i s TRP 139 Ca 0.21 -0.59 0.04 0.00 0.02 0.00 0.00 56.10 55.78 2k5i s TRP 139 Cb -0.14 -2.11 -0.05 0.00 -1.15 0.00 0.00 33.47 30.01 2k5i s TRP 139 CO 0.07 -0.35 0.03 0.14 0.02 0.00 0.00 176.95 176.85 2k5i s VAL 140 N 1.24 1.47 0.04 4.03 -7.23 0.45 -1.40 120.40 119.01 2k5i s VAL 140 Ca 0.03 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 2k5i s VAL 140 Cb -0.15 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 2k5i s VAL 140 CO 0.01 0.00 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.53 2k5i s ARG 141 N -3.79 0.95 -0.25 4.82 0.52 0.59 -1.25 118.95 120.54 2k5i s ARG 141 Ca 0.26 -0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 54.42 2k5i s ARG 141 Cb 0.07 -0.96 -0.01 0.00 0.52 0.00 0.00 34.95 34.56 2k5i s ARG 141 CO 0.13 0.24 1.45 0.50 0.02 0.00 0.00 175.30 177.63 2k5i s ARG 142 N -1.12 3.89 0.28 3.54 6.06 -1.26 -0.73 118.95 129.62 2k5i s ARG 142 Ca 0.02 1.49 0.08 0.00 -2.50 0.00 0.00 55.73 54.81 2k5i s ARG 142 Cb -0.08 -3.94 -0.06 0.00 0.06 0.00 0.00 34.95 30.93 2k5i s ARG 142 CO 0.01 -1.16 -0.09 0.14 -2.50 0.00 0.00 175.30 171.70 2k5i s VAL 143 N 4.67 1.82 -1.82 7.11 -7.23 -0.60 -4.95 120.40 119.39 2k5i s VAL 143 Ca 0.63 -2.18 0.16 0.00 -1.81 0.00 0.00 61.98 58.78 2k5i s VAL 143 Cb -0.21 -2.40 0.20 0.00 0.56 0.00 0.00 36.38 34.53 2k5i s VAL 143 CO 0.25 -0.34 1.09 -0.24 -0.31 0.00 0.00 175.10 175.55 2k5i n SER 144 N -0.58 2.55 -4.56 4.85 2.88 -1.26 -4.18 113.62 113.31 2k5i n SER 144 Ca -0.06 -1.74 -0.30 0.00 -1.33 0.00 0.00 58.87 55.44 2k5i n SER 144 Cb 0.63 -0.08 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 2k5i n SER 144 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2k5i s ASP 145 N -1.24 5.44 -0.05 -3.46 1.11 -1.26 -4.86 116.67 112.35 2k5i s ASP 145 Ca 0.22 -1.04 0.06 0.00 0.18 0.00 0.00 52.55 51.97 2k5i s ASP 145 Cb 0.14 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.55 2k5i s ASP 145 CO 0.20 -2.51 -0.25 0.00 1.18 0.00 0.00 175.17 173.79 2k5i s ALA 146 N 9.07 2.18 -1.42 5.23 0.00 -1.26 -4.93 121.76 130.63 2k5i s ALA 146 Ca 0.65 -1.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 2k5i s ALA 146 Cb -0.04 -0.65 -0.10 0.00 0.00 0.00 0.00 23.12 22.33 2k5i s ALA 146 CO 0.00 0.45 2.93 0.41 0.00 0.00 0.00 175.76 179.55 2k5i n GLY 147 N 2.82 4.02 0.00 0.00 0.00 -1.26 -4.53 105.19 106.23 2k5i n GLY 147 Ca -0.17 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2k5i n GLY 147 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k5i n GLU 148 N 3.55 0.00 -4.27 1.61 0.28 -1.26 -5.15 120.64 115.40 2k5i n GLU 148 Ca 0.72 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 57.40 2k5i n GLU 148 Cb 0.28 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.06 2k5i n GLU 148 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2k5i s GLU 149 N 1.68 2.78 0.01 3.44 -1.05 -1.26 -5.11 118.70 119.19 2k5i s GLU 149 Ca 0.00 -0.62 -0.29 0.00 -0.15 0.00 0.00 54.97 53.91 2k5i s GLU 149 Cb 0.00 -2.67 0.11 0.00 -0.44 0.00 0.00 34.13 31.13 2k5i s GLU 149 CO 0.00 0.62 1.25 0.45 0.95 0.00 0.00 175.26 178.53 2k5i s SER 150 N -1.60 -0.05 0.01 0.83 0.15 -1.26 -4.86 113.70 106.92 2k5i s SER 150 Ca 0.20 -0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.69 2k5i s SER 150 Cb -0.12 0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.38 2k5i s SER 150 CO 0.11 -0.38 -0.11 -1.00 1.20 0.00 0.00 173.24 173.06 2k5i s HIS 151 N -2.37 1.02 -0.95 3.44 3.76 -1.26 -5.09 115.29 113.84 2k5i s HIS 151 Ca 0.18 -0.26 -0.24 0.00 -0.15 0.00 0.00 55.06 54.59 2k5i s HIS 151 Cb 0.03 -0.63 0.01 0.00 1.11 0.00 0.00 32.58 33.10 2k5i s HIS 151 CO -0.02 -0.00 1.63 -1.25 -0.85 0.00 0.00 174.74 174.25 2k5i s PRO 152 N -0.66 3.16 0.16 8.40 0.04 -1.26 -4.98 135.00 139.86 2k5i s PRO 152 Ca 0.02 -0.71 -0.31 0.00 0.04 0.00 0.00 61.00 60.03 2k5i s PRO 152 Cb -0.06 -5.15 -0.10 0.00 0.04 0.00 0.00 34.50 29.23 2k5i s PRO 152 CO 0.00 -2.65 1.66 -0.65 0.04 0.00 0.00 177.00 175.40 2k5i s GLN 153 N 5.83 4.18 -0.77 4.56 -1.52 -1.26 -4.96 119.66 125.72 2k5i s GLN 153 Ca 0.55 2.45 -0.17 0.00 -1.95 0.00 0.00 55.36 56.24 2k5i s GLN 153 Cb -0.03 -3.26 0.15 0.00 -0.22 0.00 0.00 33.01 29.65 2k5i s GLN 153 CO -0.04 -0.69 0.85 0.15 -0.25 0.00 0.00 175.29 175.31 2k5i s LYS 154 N 1.58 3.38 -0.33 2.91 1.02 -1.26 -5.03 119.74 122.01 2k5i s LYS 154 Ca 0.73 -1.80 -0.29 0.00 0.02 0.00 0.00 55.97 54.64 2k5i s LYS 154 Cb -0.45 -4.51 0.01 0.00 -0.52 0.00 0.00 37.83 32.36 2k5i s LYS 154 CO 0.32 -1.54 1.17 -0.51 -0.92 0.00 0.00 175.35 173.87 2k5i s LEU 155 N 1.93 3.88 -0.00 3.17 1.02 -1.26 -4.99 118.68 122.43 2k5i s LEU 155 Ca 0.20 1.04 -0.33 0.00 0.02 0.00 0.00 54.13 55.06 2k5i s LEU 155 Cb -0.14 -3.54 -0.12 0.00 0.02 0.00 0.00 46.19 42.41 2k5i s LEU 155 CO -0.03 -1.00 1.82 -1.84 0.02 0.00 0.00 176.35 175.32 2k5i n GLU 156 N 7.15 2.30 -1.52 1.70 -0.00 -1.26 -4.79 120.64 124.23 2k5i n GLU 156 Ca 0.13 0.84 -0.42 0.00 -0.00 0.00 0.00 57.16 57.72 2k5i n GLU 156 Cb 0.47 -2.69 -0.06 0.00 -0.00 0.00 0.00 31.44 29.16 2k5i n GLU 156 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2k5i n HIS 157 N 5.96 1.39 -2.14 -1.84 8.25 -1.26 -4.85 115.22 120.72 2k5i n HIS 157 Ca 0.21 0.17 -0.41 0.00 -0.26 0.00 0.00 57.72 57.43 2k5i n HIS 157 Cb 0.31 -2.58 -0.03 0.00 1.12 0.00 0.00 29.99 28.82 2k5i n HIS 157 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k5i s HIS 158 N 9.88 1.91 -1.06 4.41 0.09 -1.26 -4.90 115.29 124.35 2k5i s HIS 158 Ca 1.08 0.65 -0.24 0.00 -0.00 0.00 0.00 55.06 56.55 2k5i s HIS 158 Cb -0.57 -4.20 -0.09 0.00 -0.00 0.00 0.00 32.58 27.72 2k5i s HIS 158 CO 0.37 -2.37 1.98 -3.38 -0.00 0.00 0.00 174.74 171.35 2k5i s HIS 159 N 7.49 1.78 -0.00 1.40 -3.43 -1.26 -4.92 115.29 116.35 2k5i s HIS 159 Ca 0.66 0.80 -0.30 0.00 -0.80 0.00 0.00 55.06 55.41 2k5i s HIS 159 Cb -0.15 -3.91 -0.06 0.00 -1.43 0.00 0.00 32.58 27.03 2k5i s HIS 159 CO 0.26 -1.34 1.56 -3.38 -2.00 0.00 0.00 174.74 169.84 2k5i s HIS 160 N 11.56 2.42 0.00 0.38 -3.43 -1.26 -4.86 115.29 120.10 2k5i s HIS 160 Ca 0.72 0.45 0.00 0.00 -0.80 0.00 0.00 55.06 55.43 2k5i s HIS 160 Cb -0.04 -3.84 0.00 0.00 -1.43 0.00 0.00 32.58 27.27 2k5i s HIS 160 CO 0.09 -3.36 0.66 -2.39 -2.00 0.00 0.00 174.74 167.74 2k5i n HIS 161 N 6.07 0.00 -1.17 0.38 1.44 -1.26 -5.33 115.22 115.35 2k5i n HIS 161 Ca 0.15 -0.16 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2k5i n HIS 161 Cb 0.42 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.52 2k5i n HIS 161 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11