#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 0.82 0.11 2.12 2.20 -1.26 -4.44 119.74 119.29 2k5i s LYS 2 Ca 0.00 0.38 -0.16 0.00 -0.36 0.00 0.00 55.97 55.83 2k5i s LYS 2 Cb 0.00 0.39 -0.05 0.00 -1.51 0.00 0.00 37.83 36.66 2k5i s LYS 2 CO 0.00 -0.20 1.54 1.25 -0.36 0.00 0.00 175.35 177.58 2k5i h LEU 3 N 4.09 0.62 0.00 5.43 5.85 -0.92 -3.05 115.31 127.33 2k5i h LEU 3 Ca -0.28 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.11 2k5i h LEU 3 Cb 1.16 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2k5i h LEU 3 CO 0.29 0.80 0.00 -0.24 -0.34 0.00 0.00 178.44 178.95 2k5i n SER 4 N -4.48 0.00 -0.32 1.25 2.88 -0.95 -1.77 113.62 110.23 2k5i n SER 4 Ca -0.02 -0.35 0.03 0.00 -1.33 0.00 0.00 58.87 57.20 2k5i n SER 4 Cb 0.29 -0.05 0.07 0.00 -0.75 0.00 0.00 64.21 63.77 2k5i n SER 4 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2k5i n ARG 5 N -1.05 2.19 -2.22 -1.46 1.85 -1.15 -4.98 116.66 109.83 2k5i n ARG 5 Ca 0.10 -1.57 -0.32 0.00 -1.00 0.00 0.00 57.85 55.06 2k5i n ARG 5 Cb 0.06 -1.14 -0.02 0.00 -1.05 0.00 0.00 32.46 30.31 2k5i n ARG 5 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2k5i s LEU 6 N -0.88 3.48 -0.13 2.89 2.96 -0.73 -4.85 118.68 121.43 2k5i s LEU 6 Ca 0.11 1.48 -0.16 0.00 -0.22 0.00 0.00 54.13 55.34 2k5i s LEU 6 Cb 0.06 -4.46 -0.04 0.00 0.50 0.00 0.00 46.19 42.25 2k5i s LEU 6 CO 0.08 -0.69 0.40 -0.69 -1.32 0.00 0.00 176.35 174.14 2k5i s VAL 7 N -2.83 5.23 -0.21 1.68 1.01 -1.26 -5.02 120.40 118.99 2k5i s VAL 7 Ca 0.57 0.79 -0.36 0.00 0.00 0.00 0.00 61.98 62.98 2k5i s VAL 7 Cb -0.10 -3.74 -0.12 0.00 0.00 0.00 0.00 36.38 32.42 2k5i s VAL 7 CO 0.40 0.37 1.96 -2.65 0.00 0.00 0.00 175.10 175.17 2k5i n PRO 8 N 3.52 1.63 0.00 2.72 -0.02 -1.26 -1.51 135.00 140.08 2k5i n PRO 8 Ca -0.09 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2k5i n PRO 8 Cb 0.52 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 5.03 1.03 3.49 -1.23 0.00 0.13 -4.96 105.19 108.67 2k5i n GLY 9 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 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 5.01 0.01 1.61 1.01 -0.57 -4.95 120.40 120.52 2k5i s VAL 10 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 2k5i s VAL 10 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2k5i s VAL 10 CO 0.00 0.02 1.16 -2.84 0.00 0.00 0.00 175.10 173.44 2k5i s PRO 11 N 1.68 4.43 0.04 2.72 0.02 -1.26 -3.83 135.00 138.80 2k5i s PRO 11 Ca 0.05 1.67 0.04 0.00 0.02 0.00 0.00 61.00 62.78 2k5i s PRO 11 Cb -0.17 -3.43 -0.02 0.00 0.02 0.00 0.00 34.50 30.89 2k5i s PRO 11 CO 0.09 -0.28 -0.11 0.00 -0.33 0.00 0.00 177.00 176.37 2k5i s ALA 12 N 1.42 0.89 -0.08 -1.55 0.00 0.25 -1.45 121.76 121.24 2k5i s ALA 12 Ca 0.56 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 2k5i s ALA 12 Cb -0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2k5i s ALA 12 CO 0.27 0.13 0.27 0.50 0.00 0.00 0.00 175.76 176.93 2k5i s ARG 13 N -1.16 3.79 0.12 0.00 3.52 0.32 0.15 118.95 125.69 2k5i s ARG 13 Ca -0.02 0.12 -0.31 0.00 -0.13 0.00 0.00 55.73 55.39 2k5i s ARG 13 Cb -0.08 -3.25 -0.10 0.00 -1.56 0.00 0.00 34.95 29.96 2k5i s ARG 13 CO 0.01 0.64 1.72 0.42 -0.81 0.00 0.00 175.30 177.28 2k5i s ILE 14 N -0.75 2.63 -0.17 4.11 -1.09 -0.07 -0.47 121.20 125.40 2k5i s ILE 14 Ca 0.19 0.24 -0.11 0.00 -2.23 0.00 0.00 60.65 58.74 2k5i s ILE 14 Cb -0.14 -3.15 -0.07 0.00 -1.58 0.00 0.00 42.46 37.51 2k5i s ILE 14 CO 0.08 0.01 -0.25 0.29 -1.23 0.00 0.00 174.94 173.83 2k5i n LYS 15 N 5.16 0.41 -3.60 2.79 4.76 -0.02 -1.84 118.16 125.82 2k5i n LYS 15 Ca 0.16 0.17 -0.16 0.00 -2.87 0.00 0.00 58.31 55.62 2k5i n LYS 15 Cb 0.38 -1.19 -0.07 0.00 -1.84 0.00 0.00 35.03 32.32 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 -2.43 0.91 -0.25 1.97 1.70 -0.77 -4.56 118.95 115.52 2k5i s ARG 16 Ca -0.26 0.28 -0.05 0.00 -0.47 0.00 0.00 55.73 55.24 2k5i s ARG 16 Cb 0.09 0.43 -0.00 0.00 -0.57 0.00 0.00 34.95 34.89 2k5i s ARG 16 CO 0.34 -0.25 0.00 -0.51 -1.08 0.00 0.00 175.30 173.80 2k5i s LEU 17 N -0.91 3.24 0.00 -1.89 1.02 -1.26 -0.80 118.68 118.07 2k5i s LEU 17 Ca -0.09 -0.48 0.17 0.00 0.02 0.00 0.00 54.13 53.74 2k5i s LEU 17 Cb -0.02 -1.80 0.79 0.00 0.02 0.00 0.00 46.19 45.19 2k5i s LEU 17 CO 0.07 -0.07 1.54 -1.84 0.02 0.00 0.00 176.35 176.06 2k5i n GLU 18 N 4.82 1.31 -4.44 1.70 0.28 0.07 -4.79 120.64 119.59 2k5i n GLU 18 Ca -0.17 -0.48 -0.34 0.00 -0.16 0.00 0.00 57.16 56.01 2k5i n GLU 18 Cb 0.50 -1.29 -0.11 0.00 1.43 0.00 0.00 31.44 31.97 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 -1.89 4.05 0.05 3.84 0.11 -1.26 -5.10 120.40 120.20 2k5i s VAL 19 Ca 0.26 -0.33 0.05 0.00 -2.93 0.00 0.00 61.98 59.02 2k5i s VAL 19 Cb 0.13 -2.71 -0.04 0.00 -1.53 0.00 0.00 36.38 32.23 2k5i s VAL 19 CO 0.20 0.57 -0.09 -0.44 -3.33 0.00 0.00 175.10 172.02 2k5i s SER 20 N -0.51 4.48 0.88 3.54 0.01 -1.26 -4.32 113.70 116.52 2k5i s SER 20 Ca 0.08 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2k5i s SER 20 Cb -0.12 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 65.16 2k5i s SER 20 CO 0.02 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2k5i n GLY 21 N 1.18 0.78 0.00 3.44 0.00 -1.26 -4.29 105.19 105.05 2k5i n GLY 21 Ca -0.14 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2k5i n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5i n GLU 22 N 0.00 0.00 0.09 1.61 1.02 -1.26 -1.19 120.64 120.91 2k5i n GLU 22 Ca 0.00 0.82 -0.07 0.00 -0.02 0.00 0.00 57.16 57.89 2k5i n GLU 22 Cb 0.00 -1.28 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 2k5i n GLU 22 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k5i h LEU 23 N 0.00 0.10 -0.56 -4.62 5.85 -1.92 -3.32 115.31 110.85 2k5i h LEU 23 Ca 0.00 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.70 2k5i h LEU 23 Cb 0.00 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 2k5i h LEU 23 CO 0.00 0.94 0.24 -0.74 -0.34 0.00 0.00 178.44 178.54 2k5i h HIS 24 N 0.04 0.43 -0.24 1.25 2.76 -1.56 0.87 115.15 118.70 2k5i h HIS 24 Ca -0.03 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 2k5i h HIS 24 Cb 1.54 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.38 2k5i h HIS 24 CO 0.01 0.16 -0.19 1.05 -1.30 0.00 0.00 177.93 177.66 2k5i h GLU 25 N 0.45 0.42 -0.38 5.26 4.11 -1.26 -0.75 114.58 122.43 2k5i h GLU 25 Ca 0.26 -0.13 -0.06 0.00 0.07 0.00 0.00 59.36 59.50 2k5i h GLU 25 Cb 0.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2k5i h GLU 25 CO -0.23 0.60 0.00 -0.22 0.07 0.00 0.00 179.01 179.23 2k5i h LYS 26 N 0.38 0.67 0.31 1.06 3.11 -1.37 -0.90 116.57 119.82 2k5i h LYS 26 Ca 0.06 -0.21 -0.02 0.00 -2.81 0.00 0.00 60.65 57.68 2k5i h LYS 26 Cb 0.56 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 2k5i h LYS 26 CO 0.04 0.77 -0.15 -0.07 -2.81 0.00 0.00 179.45 177.23 2k5i h LEU 27 N 0.49 -0.35 -1.89 5.20 3.38 -0.56 -2.64 115.31 118.94 2k5i h LEU 27 Ca 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2k5i h LEU 27 Cb 0.46 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2k5i h LEU 27 CO 0.02 -0.04 -0.02 -0.37 0.09 0.00 0.00 178.44 178.12 2k5i h VAL 28 N -0.67 1.04 -0.30 1.22 -1.51 -1.21 0.47 116.25 115.29 2k5i h VAL 28 Ca -0.04 -0.15 -0.00 0.00 -1.23 0.00 0.00 66.70 65.28 2k5i h VAL 28 Cb 0.47 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 2k5i h VAL 28 CO 0.07 0.05 0.18 1.23 -1.23 0.00 0.00 177.57 177.86 2k5i h GLY 29 N 0.15 0.42 1.42 5.19 0.00 -0.99 -1.90 103.07 107.37 2k5i h GLY 29 Ca 0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 2k5i h GLY 29 CO 0.00 0.16 -0.80 -0.33 0.00 0.00 0.00 176.54 175.57 2k5i h MET 30 N 0.40 0.00 0.00 4.80 2.86 -0.65 -3.48 114.93 118.86 2k5i h MET 30 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2k5i h MET 30 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2k5i h MET 30 CO -0.02 0.19 0.00 0.41 1.06 0.00 0.00 176.91 178.55 2k5i n GLY 31 N 1.23 0.84 3.57 8.32 0.00 -0.04 -4.99 105.19 114.12 2k5i n GLY 31 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.50 2.37 0.03 1.61 0.40 -0.33 -4.81 117.98 115.75 2k5i s PHE 32 Ca 0.00 -0.59 0.04 0.00 -0.60 0.00 0.00 56.93 55.78 2k5i s PHE 32 Cb 0.00 -4.45 -0.02 0.00 0.51 0.00 0.00 43.02 39.06 2k5i s PHE 32 CO 0.00 -1.68 -0.13 0.14 0.70 0.00 0.00 175.22 174.26 2k5i s VAL 33 N 6.98 1.00 -0.55 -0.44 -7.23 -1.26 -4.01 120.40 114.88 2k5i s VAL 33 Ca 0.58 -0.90 -0.28 0.00 -1.81 0.00 0.00 61.98 59.57 2k5i s VAL 33 Cb 0.00 -0.90 -0.10 0.00 0.56 0.00 0.00 36.38 35.94 2k5i s VAL 33 CO 0.04 0.01 2.43 -0.81 -0.31 0.00 0.00 175.10 176.46 2k5i n PRO 34 N 2.04 0.91 0.00 4.82 -0.04 -1.26 -2.39 135.00 139.08 2k5i n PRO 34 Ca -0.18 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2k5i n PRO 34 Cb 0.55 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 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 6.15 2.51 3.78 0.55 0.00 -0.76 -4.99 105.19 112.43 2k5i n GLY 35 Ca 0.43 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 4.24 0.09 1.61 0.41 -1.01 -4.78 118.70 119.26 2k5i s GLU 36 Ca 0.00 1.61 -0.16 0.00 -0.41 0.00 0.00 54.97 56.01 2k5i s GLU 36 Cb 0.00 -2.68 -0.07 0.00 -1.78 0.00 0.00 34.13 29.60 2k5i s GLU 36 CO 0.00 -0.10 0.53 -1.21 -0.49 0.00 0.00 175.26 173.99 2k5i s GLU 37 N -2.27 4.06 -0.07 1.61 8.01 -1.26 -0.89 118.70 127.89 2k5i s GLU 37 Ca 0.55 0.57 -0.03 0.00 0.01 0.00 0.00 54.97 56.08 2k5i s GLU 37 Cb -0.25 -3.10 0.04 0.00 -4.31 0.00 0.00 34.13 26.51 2k5i s GLU 37 CO 0.31 0.58 0.14 -1.50 0.01 0.00 0.00 175.26 174.81 2k5i s ILE 38 N -1.26 -0.08 -0.04 -1.63 2.07 0.12 -1.25 121.20 119.13 2k5i s ILE 38 Ca 0.32 0.21 0.03 0.00 -1.41 0.00 0.00 60.65 59.80 2k5i s ILE 38 Cb -0.17 -0.24 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 2k5i s ILE 38 CO 0.18 0.09 -0.10 -1.83 -1.91 0.00 0.00 174.94 171.36 2k5i s GLU 39 N 1.33 2.57 -0.14 3.50 -1.05 -0.63 -0.58 118.70 123.71 2k5i s GLU 39 Ca -0.07 -0.66 -0.27 0.00 -0.15 0.00 0.00 54.97 53.81 2k5i s GLU 39 Cb -0.12 -2.47 -0.01 0.00 -0.44 0.00 0.00 34.13 31.09 2k5i s GLU 39 CO -0.06 0.63 0.91 0.42 0.95 0.00 0.00 175.26 178.11 2k5i s ILE 40 N -0.82 4.84 -0.16 1.83 -1.09 -1.25 -0.30 121.20 124.25 2k5i s ILE 40 Ca 0.13 1.81 -0.17 0.00 -2.23 0.00 0.00 60.65 60.20 2k5i s ILE 40 Cb -0.11 -4.21 -0.13 0.00 -1.58 0.00 0.00 42.46 36.42 2k5i s ILE 40 CO 0.02 0.02 0.19 0.58 -1.23 0.00 0.00 174.94 174.53 2k5i h VAL 41 N 5.14 0.72 -2.34 2.92 2.07 -0.86 0.37 116.25 124.27 2k5i h VAL 41 Ca -0.30 -1.72 -0.06 0.00 0.82 0.00 0.00 66.70 65.44 2k5i h VAL 41 Cb 1.14 1.54 -0.18 0.00 -1.52 0.00 0.00 31.29 32.27 2k5i h VAL 41 CO 0.85 0.24 0.14 0.00 0.02 0.00 0.00 177.57 178.82 2k5i s GLN 42 N -2.17 1.06 -0.07 1.57 -2.07 -1.16 -4.60 119.66 112.22 2k5i s GLN 42 Ca -0.19 0.04 -0.00 0.00 -1.82 0.00 0.00 55.36 53.39 2k5i s GLN 42 Cb 0.02 0.50 -0.03 0.00 -1.09 0.00 0.00 33.01 32.41 2k5i s GLN 42 CO 0.42 -0.36 -0.03 0.08 -1.32 0.00 0.00 175.29 174.08 2k5i s VAL 43 N -1.79 4.01 0.49 3.63 1.01 -1.26 -0.95 120.40 125.54 2k5i s VAL 43 Ca -0.08 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 2k5i s VAL 43 Cb -0.01 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.63 2k5i s VAL 43 CO 0.04 0.58 1.33 0.00 0.00 0.00 0.00 175.10 177.05 2k5i s ALA 44 N -0.87 3.01 0.25 5.51 0.00 -0.83 -4.88 121.76 123.95 2k5i s ALA 44 Ca 0.13 1.28 0.25 0.00 0.00 0.00 0.00 51.96 53.62 2k5i s ALA 44 Cb -0.11 -3.53 1.35 0.00 0.00 0.00 0.00 23.12 20.83 2k5i s ALA 44 CO 0.03 -1.12 1.73 -1.00 0.00 0.00 0.00 175.76 175.39 2k5i h PRO 45 N 1.95 0.00 0.00 0.00 0.13 -1.91 1.00 132.00 133.17 2k5i h PRO 45 Ca -0.50 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.39 2k5i h PRO 45 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 2k5i h PRO 45 CO 0.59 0.00 -1.54 -0.07 -0.23 0.00 0.00 178.00 176.75 2k5i h LEU 46 N 0.00 0.00 0.00 1.56 4.07 -1.96 -3.48 115.31 115.50 2k5i h LEU 46 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2k5i h LEU 46 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 2k5i h LEU 46 CO 0.00 0.83 0.00 0.61 -1.08 0.00 0.00 178.44 178.80 2k5i n GLY 47 N 1.48 4.10 3.31 0.83 0.00 0.35 -5.10 105.19 110.15 2k5i n GLY 47 Ca -0.13 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.02 -0.23 1.00 1.61 -4.77 -1.26 -4.52 116.67 108.48 2k5i s ASP 48 Ca 0.00 -0.31 -0.13 0.00 -3.30 0.00 0.00 52.55 48.81 2k5i s ASP 48 Cb 0.00 0.47 0.19 0.00 -1.09 0.00 0.00 42.92 42.48 2k5i s ASP 48 CO 0.00 -0.84 1.12 -2.16 0.70 0.00 0.00 175.17 173.99 2k5i s PRO 49 N -3.71 0.39 0.02 2.11 0.04 -1.26 -4.77 135.00 127.82 2k5i s PRO 49 Ca 0.02 0.32 0.09 0.00 0.04 0.00 0.00 61.00 61.47 2k5i s PRO 49 Cb 0.02 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 2k5i s PRO 49 CO -0.11 -2.71 -0.25 0.96 0.04 0.00 0.00 177.00 174.92 2k5i s ILE 50 N -3.10 2.22 -0.13 0.56 -0.00 0.49 -1.97 121.20 119.27 2k5i s ILE 50 Ca 0.66 -1.27 -0.07 0.00 -0.00 0.00 0.00 60.65 59.97 2k5i s ILE 50 Cb -0.16 -1.85 -0.04 0.00 -0.00 0.00 0.00 42.46 40.42 2k5i s ILE 50 CO 0.56 0.43 0.12 -0.69 -0.00 0.00 0.00 174.94 175.35 2k5i s VAL 51 N -0.76 5.29 0.31 8.37 1.01 -0.12 -1.67 120.40 132.83 2k5i s VAL 51 Ca 0.12 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.25 2k5i s VAL 51 Cb -0.10 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2k5i s VAL 51 CO 0.01 0.59 0.33 0.00 0.00 0.00 0.00 175.10 176.03 2k5i s LYS 53 N -3.44 0.71 -0.44 0.00 1.02 0.59 -0.63 119.74 117.55 2k5i s LYS 53 Ca 0.37 -0.25 -0.19 0.00 0.02 0.00 0.00 55.97 55.92 2k5i s LYS 53 Cb 0.02 -1.72 0.03 0.00 -0.52 0.00 0.00 37.83 35.64 2k5i s LYS 53 CO 0.22 -0.51 0.53 0.42 -0.92 0.00 0.00 175.35 175.09 2k5i s ILE 54 N 1.88 4.98 0.00 2.17 1.01 0.87 -1.60 121.20 130.50 2k5i s ILE 54 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2k5i s ILE 54 Cb -0.15 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.19 2k5i s ILE 54 CO -0.07 -0.54 0.00 0.61 0.00 0.00 0.00 174.94 174.94 2k5i n GLY 55 N 5.10 0.50 0.00 6.18 0.00 -0.38 -1.58 105.19 115.01 2k5i n GLY 55 Ca -0.06 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 1.76 3.18 -4.58 1.61 3.02 -1.26 -5.07 115.26 113.91 2k5i n ASN 56 Ca 0.00 -0.08 -0.30 0.00 -0.03 0.00 0.00 54.58 54.17 2k5i n ASN 56 Cb 0.00 0.80 -0.10 0.00 -0.61 0.00 0.00 39.78 39.87 2k5i n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k5i s ARG 57 N -1.43 2.17 0.20 3.52 1.70 -0.61 -5.12 118.95 119.39 2k5i s ARG 57 Ca 0.00 -1.00 -0.22 0.00 -0.47 0.00 0.00 55.73 54.04 2k5i s ARG 57 Cb 0.00 -2.33 -0.08 0.00 -0.57 0.00 0.00 34.95 31.97 2k5i s ARG 57 CO 0.00 0.51 0.74 -0.80 -1.08 0.00 0.00 175.30 174.68 2k5i s ASN 58 N -2.18 7.17 -0.02 -2.89 -0.87 -1.26 -0.09 114.94 114.79 2k5i s ASN 58 Ca 0.21 1.50 0.02 0.00 -1.57 0.00 0.00 52.86 53.03 2k5i s ASN 58 Cb -0.11 -2.45 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 2k5i s ASN 58 CO 0.14 0.09 -0.08 -0.63 -2.57 0.00 0.00 177.10 174.04 2k5i s ILE 59 N -1.40 0.72 -0.19 0.60 -1.09 0.20 -4.89 121.20 115.14 2k5i s ILE 59 Ca 0.41 -0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 58.45 2k5i s ILE 59 Cb -0.19 -0.63 -0.02 0.00 -1.58 0.00 0.00 42.46 40.04 2k5i s ILE 59 CO 0.22 0.22 -0.03 -0.89 -1.23 0.00 0.00 174.94 173.24 2k5i s THR 60 N 0.10 3.69 0.03 2.92 2.01 -1.26 -0.77 115.64 122.36 2k5i s THR 60 Ca -0.01 -0.40 0.07 0.00 0.31 0.00 0.00 61.69 61.65 2k5i s THR 60 Cb -0.07 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 2k5i s THR 60 CO 0.00 0.44 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.42 2k5i s LEU 61 N 0.99 2.14 0.65 4.42 1.43 -0.67 -5.00 118.68 122.65 2k5i s LEU 61 Ca 0.01 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 2k5i s LEU 61 Cb -0.15 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 2k5i s LEU 61 CO 0.01 0.15 1.05 -0.13 0.23 0.00 0.00 176.35 177.66 2k5i s ARG 62 N -1.03 3.33 0.12 1.70 1.81 -1.26 -0.38 118.95 123.23 2k5i s ARG 62 Ca 0.06 0.67 -0.25 0.00 -1.72 0.00 0.00 55.73 54.49 2k5i s ARG 62 Cb -0.08 -2.06 -0.07 0.00 -0.45 0.00 0.00 34.95 32.29 2k5i s ARG 62 CO 0.01 -0.75 1.66 0.87 -0.68 0.00 0.00 175.30 176.41 2k5i h LYS 63 N -0.45 -0.33 0.00 3.54 1.57 -1.93 -1.01 116.57 117.95 2k5i h LYS 63 Ca -0.44 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2k5i h LYS 63 Cb 1.21 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2k5i h LYS 63 CO 0.62 -0.22 0.20 0.07 -0.57 0.00 0.00 179.45 179.56 2k5i h ARG 64 N -0.34 0.00 0.00 3.15 0.11 -1.98 0.49 114.38 115.81 2k5i h ARG 64 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2k5i h ARG 64 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 2k5i h ARG 64 CO -0.16 0.00 -0.18 0.93 0.10 0.00 0.00 179.97 180.66 2k5i h GLU 65 N 0.00 0.00 0.00 0.08 5.08 -1.63 -3.39 114.58 114.72 2k5i h GLU 65 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k5i h GLU 65 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k5i h GLU 65 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2k5i n ALA 66 N -2.96 1.47 0.40 3.43 0.00 -0.50 -2.15 120.51 120.19 2k5i n ALA 66 Ca -0.03 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.67 2k5i n ALA 66 Cb 0.10 -1.36 0.43 0.00 0.00 0.00 0.00 19.45 18.61 2k5i n ALA 66 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k5i h ASP 67 N 0.00 0.00 -0.60 0.00 1.82 -0.23 -2.49 116.42 114.91 2k5i h ASP 67 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k5i h ASP 67 Cb 0.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.26 2k5i h ASP 67 CO 0.00 0.00 0.00 0.18 -1.61 0.00 0.00 179.24 177.81 2k5i n LEU 68 N -2.64 3.52 -4.25 2.28 4.77 -0.91 -4.84 117.00 114.93 2k5i n LEU 68 Ca 0.03 -1.71 -0.33 0.00 -0.03 0.00 0.00 56.01 53.97 2k5i n LEU 68 Cb 0.38 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.91 2k5i n LEU 68 CO 0.28 0.85 -0.48 -0.63 -1.33 0.00 0.00 177.39 176.08 2k5i s ILE 69 N -1.20 2.60 -0.15 -0.08 1.09 -1.18 -0.75 121.20 121.52 2k5i s ILE 69 Ca 0.44 -0.79 -0.09 0.00 -1.10 0.00 0.00 60.65 59.10 2k5i s ILE 69 Cb 0.23 -2.09 -0.05 0.00 -1.06 0.00 0.00 42.46 39.49 2k5i s ILE 69 CO 0.31 0.52 0.17 -0.70 -0.10 0.00 0.00 174.94 175.13 2k5i s GLU 70 N 0.86 3.84 0.46 2.79 2.12 0.02 -0.57 118.70 128.22 2k5i s GLU 70 Ca -0.05 -0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.20 2k5i s GLU 70 Cb -0.15 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 2k5i s GLU 70 CO -0.01 0.54 0.08 1.33 -0.54 0.00 0.00 175.26 176.66 2k5i n VAL 71 N 2.71 0.00 -4.75 3.70 0.24 -1.26 -0.84 118.33 118.14 2k5i n VAL 71 Ca -0.17 -2.44 -0.26 0.00 -2.04 0.00 0.00 64.34 59.43 2k5i n VAL 71 Cb 0.53 0.69 -0.16 0.00 -1.47 0.00 0.00 33.84 33.44 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 -3.72 1.80 -0.23 7.34 -1.05 0.38 -4.71 118.70 118.51 2k5i s GLU 72 Ca 0.11 -0.54 -0.29 0.00 -0.15 0.00 0.00 54.97 54.10 2k5i s GLU 72 Cb 0.01 -1.51 -0.03 0.00 -0.44 0.00 0.00 34.13 32.16 2k5i s GLU 72 CO 0.08 0.15 1.66 0.08 0.95 0.00 0.00 175.26 178.18 2k5i s VAL 73 N 0.29 3.64 0.13 1.83 1.01 -1.26 -0.53 120.40 125.51 2k5i s VAL 73 Ca -0.09 0.71 0.23 0.00 0.00 0.00 0.00 61.98 62.84 2k5i s VAL 73 Cb -0.13 -3.67 0.22 0.00 0.00 0.00 0.00 36.38 32.79 2k5i s VAL 73 CO 0.03 -0.30 1.80 0.58 0.00 0.00 0.00 175.10 177.21 2k5i h VAL 74 N 6.23 0.60 -4.15 2.92 2.07 -1.60 -3.45 116.25 118.88 2k5i h VAL 74 Ca -0.34 -1.20 -0.49 0.00 0.82 0.00 0.00 66.70 65.49 2k5i h VAL 74 Cb 1.16 1.80 0.05 0.00 -1.52 0.00 0.00 31.29 32.78 2k5i h VAL 74 CO 1.00 0.25 0.38 -0.83 0.02 0.00 0.00 177.57 178.39 2k5i s GLY 75 N -4.30 2.29 0.23 2.17 0.00 -1.25 -4.95 107.32 101.51 2k5i s GLY 75 Ca 0.01 0.50 0.23 0.00 0.00 0.00 0.00 44.72 45.46 2k5i s GLY 75 CO 0.65 0.82 1.71 0.61 0.00 0.00 0.00 173.10 176.88 2k5i n GLY 76 N -0.65 -1.33 3.09 0.20 0.00 -1.26 -4.79 105.19 100.45 2k5i n GLY 76 Ca 0.09 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.26 0.59 -0.04 1.61 -1.05 -1.26 -4.80 118.70 110.48 2k5i s GLU 77 Ca 0.06 -1.02 -0.17 0.00 -0.15 0.00 0.00 54.97 53.69 2k5i s GLU 77 Cb 0.10 0.21 0.03 0.00 -0.44 0.00 0.00 34.13 34.04 2k5i s GLU 77 CO 0.42 -0.12 0.38 -0.48 0.95 0.00 0.00 175.26 176.41 2k5i s LEU 78 N -2.55 0.55 0.77 1.83 2.34 -0.69 -4.97 118.68 115.96 2k5i s LEU 78 Ca 0.01 0.29 -0.14 0.00 0.06 0.00 0.00 54.13 54.36 2k5i s LEU 78 Cb 0.03 1.49 0.06 0.00 -0.56 0.00 0.00 46.19 47.21 2k5i s LEU 78 CO -0.08 -0.43 1.20 -2.16 -1.06 0.00 0.00 176.35 173.82 2k5i s PRO 79 N -1.08 1.91 0.51 1.48 0.04 -1.26 -0.47 135.00 136.14 2k5i s PRO 79 Ca -0.11 1.72 0.18 0.00 0.04 0.00 0.00 61.00 62.82 2k5i s PRO 79 Cb -0.04 -1.81 1.27 0.00 0.04 0.00 0.00 34.50 33.96 2k5i s PRO 79 CO 0.05 -2.00 2.10 1.25 0.04 0.00 0.00 177.00 178.44 2k5i h LEU 80 N -0.62 0.04 -1.67 -3.56 6.46 -0.31 0.39 115.31 116.04 2k5i h LEU 80 Ca -0.47 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 2k5i h LEU 80 Cb 1.29 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2k5i h LEU 80 CO 0.48 0.03 0.00 -0.29 -0.62 0.00 0.00 178.44 178.04 2k5i h ILE 81 N 0.04 0.00 -0.64 4.05 6.09 -1.80 -0.47 117.51 124.78 2k5i h ILE 81 Ca 0.08 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.52 2k5i h ILE 81 Cb 0.26 0.69 0.00 0.00 0.47 0.00 0.00 36.82 38.23 2k5i h ILE 81 CO -0.00 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.26 2k5i n LEU 82 N -2.46 4.18 -4.68 2.19 4.77 0.13 -4.99 117.00 116.14 2k5i n LEU 82 Ca -0.01 -2.22 -0.42 0.00 -0.03 0.00 0.00 56.01 53.32 2k5i n LEU 82 Cb 0.08 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 2k5i n LEU 82 CO 0.14 0.88 1.51 0.00 -1.33 0.00 0.00 177.39 178.58 2k5i s ALA 83 N -1.42 3.69 -0.05 -1.18 0.00 -0.19 -4.92 121.76 117.70 2k5i s ALA 83 Ca 0.47 1.39 -0.02 0.00 0.00 0.00 0.00 51.96 53.79 2k5i s ALA 83 Cb 0.27 -3.79 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 2k5i s ALA 83 CO 0.27 -1.35 -0.04 0.22 0.00 0.00 0.00 175.76 174.85 2k5i h ASP 84 N 9.32 0.00 -5.06 0.00 3.58 -1.94 -3.48 116.42 118.85 2k5i h ASP 84 Ca -0.47 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.00 2k5i h ASP 84 Cb 1.22 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.20 2k5i h ASP 84 CO 0.95 0.24 0.13 1.51 -2.88 0.00 0.00 179.24 179.19 2k5i s ASP 85 N -4.19 -0.26 0.49 2.28 -4.77 -1.26 -4.95 116.67 104.00 2k5i s ASP 85 Ca -0.04 -0.57 0.00 0.00 -3.30 0.00 0.00 52.55 48.64 2k5i s ASP 85 Cb 0.01 0.66 0.00 0.00 -1.09 0.00 0.00 42.92 42.50 2k5i s ASP 85 CO 0.05 -1.22 0.00 0.61 0.70 0.00 0.00 175.17 175.31 2k5i n GLY 86 N -0.42 0.44 3.27 2.12 0.00 -1.26 -4.88 105.19 104.46 2k5i n GLY 86 Ca -0.06 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 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 1.74 0.01 2.61 2.01 -1.23 -3.30 115.64 117.47 2k5i s THR 87 Ca 0.00 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 60.76 2k5i s THR 87 Cb 0.00 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 2k5i s THR 87 CO 0.00 0.19 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.70 2k5i s TYR 88 N -0.85 0.96 -0.17 4.92 1.51 -1.02 -1.03 117.35 121.67 2k5i s TYR 88 Ca 0.08 -0.25 -0.04 0.00 -1.01 0.00 0.00 57.07 55.85 2k5i s TYR 88 Cb -0.09 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.14 2k5i s TYR 88 CO 0.02 -0.01 -0.03 -2.00 -1.11 0.00 0.00 175.55 172.42 2k5i s GLU 89 N -0.61 3.64 0.34 -0.62 2.12 0.54 -0.66 118.70 123.46 2k5i s GLU 89 Ca 0.02 -0.53 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 2k5i s GLU 89 Cb -0.06 -2.95 -0.11 0.00 0.26 0.00 0.00 34.13 31.28 2k5i s GLU 89 CO 0.00 0.17 1.41 -1.50 -0.54 0.00 0.00 175.26 174.81 2k5i s ILE 90 N 0.54 2.39 -0.01 -3.70 2.07 -0.96 -0.21 121.20 121.32 2k5i s ILE 90 Ca -0.03 0.38 0.00 0.00 -1.41 0.00 0.00 60.65 59.60 2k5i s ILE 90 Cb -0.14 -3.24 -0.01 0.00 0.13 0.00 0.00 42.46 39.19 2k5i s ILE 90 CO 0.03 0.09 -0.00 1.07 -1.91 0.00 0.00 174.94 174.21 2k5i n THR 91 N 0.89 0.06 -3.62 4.00 5.66 0.22 -3.71 114.28 117.79 2k5i n THR 91 Ca 0.02 -0.03 -0.06 0.00 -3.05 0.00 0.00 64.05 60.92 2k5i n THR 91 Cb 0.40 -0.81 -0.02 0.00 -1.55 0.00 0.00 70.33 68.36 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 -2.02 1.02 0.24 1.09 -2.85 -1.17 -5.00 119.74 111.05 2k5i s LYS 92 Ca -0.01 -0.48 0.10 0.00 -1.00 0.00 0.00 55.97 54.58 2k5i s LYS 92 Cb 0.00 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 2k5i s LYS 92 CO 0.03 -0.46 -0.05 -0.51 0.10 0.00 0.00 175.35 174.46 2k5i s LEU 93 N -2.71 3.06 -0.32 2.77 2.01 -1.26 -0.55 118.68 121.68 2k5i s LEU 93 Ca 0.08 -0.65 0.02 0.00 0.01 0.00 0.00 54.13 53.59 2k5i s LEU 93 Cb -0.01 -1.64 0.08 0.00 0.01 0.00 0.00 46.19 44.63 2k5i s LEU 93 CO -0.04 0.04 0.01 0.20 1.01 0.00 0.00 176.35 177.58 2k5i s ASN 94 N -3.35 4.75 0.00 2.29 0.02 0.63 -4.95 114.94 114.32 2k5i s ASN 94 Ca 0.29 -1.79 0.00 0.00 -1.02 0.00 0.00 52.86 50.34 2k5i s ASN 94 Cb -0.07 -1.64 0.00 0.00 0.02 0.00 0.00 41.25 39.56 2k5i s ASN 94 CO 0.18 -0.33 0.00 0.61 0.02 0.00 0.00 177.10 177.58 2k5i n GLY 95 N 4.40 -1.28 0.88 0.66 0.00 -1.26 -4.82 105.19 103.76 2k5i n GLY 95 Ca -0.05 -1.19 -0.04 0.00 0.00 0.00 0.00 46.02 44.74 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 1.76 0.05 -0.02 0.00 -1.26 -4.90 105.19 100.82 2k5i n GLY 96 Ca 0.00 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 2k5i n GLY 96 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k5i h ARG 97 N 0.00 -0.03 -0.26 1.61 -0.00 -2.02 -0.29 114.38 113.40 2k5i h ARG 97 Ca -0.06 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.46 2k5i h ARG 97 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.24 2k5i h ARG 97 CO 0.09 0.11 0.18 0.07 0.00 0.00 0.00 179.97 180.42 2k5i h ARG 98 N -0.16 0.15 -0.11 0.04 0.11 -1.99 0.18 114.38 112.59 2k5i h ARG 98 Ca -0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 2k5i h ARG 98 Cb 0.15 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.19 2k5i h ARG 98 CO 0.00 0.10 -0.08 0.35 0.10 0.00 0.00 179.97 180.45 2k5i h PHE 99 N 0.16 0.29 -0.98 4.08 3.57 -1.80 -2.93 116.94 119.33 2k5i h PHE 99 Ca 0.12 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.58 2k5i h PHE 99 Cb 0.26 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 2k5i h PHE 99 CO -0.00 0.63 0.64 -0.07 -2.23 0.00 0.00 178.31 177.28 2k5i h LEU 100 N -0.13 1.05 -0.33 0.59 3.38 -0.17 -2.32 115.31 117.38 2k5i h LEU 100 Ca 0.02 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2k5i h LEU 100 Cb 0.57 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 2k5i h LEU 100 CO 0.02 0.71 -0.07 0.15 0.09 0.00 0.00 178.44 179.34 2k5i h PHE 101 N 1.21 -0.14 -0.08 1.13 3.57 -0.97 -1.90 116.94 119.76 2k5i h PHE 101 Ca 0.40 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.97 2k5i h PHE 101 Cb 0.06 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 2k5i h PHE 101 CO -0.00 -0.13 -0.46 0.00 -2.23 0.00 0.00 178.31 175.49 2k5i h ARG 102 N 0.02 -0.53 -0.22 1.11 3.08 -1.23 -2.46 114.38 114.15 2k5i h ARG 102 Ca 0.16 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2k5i h ARG 102 Cb 0.24 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2k5i h ARG 102 CO -0.33 -0.35 0.08 0.52 -1.07 0.00 0.00 179.97 178.81 2k5i h MET 103 N -0.55 0.31 0.00 0.04 2.86 -1.33 -0.44 114.93 115.82 2k5i h MET 103 Ca 0.05 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2k5i h MET 103 Cb 0.66 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 2k5i h MET 103 CO -0.38 0.27 -0.16 0.87 1.06 0.00 0.00 176.91 178.57 2k5i h LYS 104 N 0.31 0.00 0.00 1.72 1.57 -0.90 -0.13 116.57 119.14 2k5i h LYS 104 Ca 0.08 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 2k5i h LYS 104 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2k5i h LYS 104 CO -0.01 0.16 -0.65 -0.91 -0.57 0.00 0.00 179.45 177.47 2k5i h ASN 105 N 0.00 0.00 0.87 0.86 2.35 -0.75 -3.21 115.58 115.70 2k5i h ASN 105 Ca -0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 2k5i h ASN 105 Cb 0.48 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 2k5i h ASN 105 CO 0.02 0.65 -1.19 -0.07 -1.65 0.00 0.00 177.43 175.19 2k5i h LEU 106 N 0.00 0.00 0.00 1.61 -0.00 -1.28 -3.49 115.31 112.15 2k5i h LEU 106 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2k5i h LEU 106 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 2k5i h LEU 106 CO 0.08 0.98 0.00 0.61 -0.00 0.00 0.00 178.44 180.12 2k5i n GLY 107 N 1.40 1.92 2.73 0.83 0.00 -0.15 -4.82 105.19 107.10 2k5i n GLY 107 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 0.58 0.00 -0.61 -0.00 -0.65 -4.89 121.20 113.63 2k5i s ILE 108 Ca 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 60.65 59.89 2k5i s ILE 108 Cb 0.00 -1.18 0.00 0.00 -0.00 0.00 0.00 42.46 41.28 2k5i s ILE 108 CO 0.00 -0.34 0.00 -1.84 -0.00 0.00 0.00 174.94 172.76 2k5i n GLU 109 N 5.01 0.02 -3.63 0.37 0.00 -1.26 -4.08 120.64 117.06 2k5i n GLU 109 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.99 2k5i n GLU 109 Cb 0.46 -0.57 -0.07 0.00 0.00 0.00 0.00 31.44 31.26 2k5i n GLU 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2k5i s SER 110 N -3.07 -0.45 -1.10 -1.84 0.15 -1.26 -4.76 113.70 101.37 2k5i s SER 110 Ca 0.00 0.85 -0.15 0.00 0.70 0.00 0.00 55.95 57.35 2k5i s SER 110 Cb 0.00 0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 65.13 2k5i s SER 110 CO 0.00 -0.16 0.85 0.61 1.20 0.00 0.00 173.24 175.73 2k5i n GLY 111 N 2.13 -1.06 2.90 9.45 0.00 -1.24 -5.01 105.19 112.36 2k5i n GLY 111 Ca -0.12 0.51 -0.17 0.00 0.00 0.00 0.00 46.02 46.23 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 -5.35 0.52 -0.39 1.61 -0.14 -1.26 -5.00 119.74 109.73 2k5i s LYS 112 Ca 0.47 -0.09 -0.16 0.00 -1.36 0.00 0.00 55.97 54.82 2k5i s LYS 112 Cb -0.13 -0.56 0.01 0.00 -1.68 0.00 0.00 37.83 35.47 2k5i s LYS 112 CO 0.81 -0.01 0.39 0.15 -0.76 0.00 0.00 175.35 175.93 2k5i s LYS 113 N 0.50 3.27 -0.02 1.68 3.01 -1.26 -2.27 119.74 124.65 2k5i s LYS 113 Ca -0.06 -0.65 -0.02 0.00 -1.01 0.00 0.00 55.97 54.23 2k5i s LYS 113 Cb -0.09 -3.90 -0.04 0.00 -1.01 0.00 0.00 37.83 32.79 2k5i s LYS 113 CO -0.00 -0.71 0.14 -1.50 0.51 0.00 0.00 175.35 173.79 2k5i s ILE 114 N 2.04 5.20 -0.18 2.17 2.07 0.17 -4.65 121.20 128.02 2k5i s ILE 114 Ca 0.11 -0.20 -0.11 0.00 -1.41 0.00 0.00 60.65 59.04 2k5i s ILE 114 Cb -0.17 -3.39 -0.05 0.00 0.13 0.00 0.00 42.46 38.98 2k5i s ILE 114 CO 0.12 0.37 0.19 -1.10 -1.91 0.00 0.00 174.94 172.62 2k5i s GLN 115 N -1.76 4.19 -0.43 3.50 -1.52 0.07 -2.44 119.66 121.28 2k5i s GLN 115 Ca 0.24 -0.10 -0.12 0.00 -1.95 0.00 0.00 55.36 53.44 2k5i s GLN 115 Cb -0.12 -3.42 0.07 0.00 -0.22 0.00 0.00 33.01 29.32 2k5i s GLN 115 CO 0.15 0.29 0.30 0.08 -0.25 0.00 0.00 175.29 175.87 2k5i s VAL 116 N 0.36 4.66 -0.61 1.09 1.01 -1.21 -0.71 120.40 124.99 2k5i s VAL 116 Ca 0.11 -1.19 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 2k5i s VAL 116 Cb -0.12 -3.79 0.16 0.00 0.00 0.00 0.00 36.38 32.63 2k5i s VAL 116 CO 0.00 -0.50 0.50 -0.55 0.00 0.00 0.00 175.10 174.56 2k5i s SER 117 N 2.21 5.97 0.83 3.32 0.15 0.67 -4.65 113.70 122.21 2k5i s SER 117 Ca 0.03 -2.32 0.00 0.00 0.70 0.00 0.00 55.95 54.36 2k5i s SER 117 Cb -0.23 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2k5i s SER 117 CO 0.04 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2k5i n GLY 118 N 4.38 0.32 0.67 9.45 0.00 -1.26 -0.85 105.19 117.91 2k5i n GLY 118 Ca 0.01 0.67 0.07 0.00 0.00 0.00 0.00 46.02 46.77 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 2.72 -3.94 1.61 3.00 -1.26 -5.00 116.66 113.79 2k5i n ARG 119 Ca 0.00 -2.52 -0.12 0.00 -0.01 0.00 0.00 57.85 55.20 2k5i n ARG 119 Cb 0.00 -1.60 -0.13 0.00 0.00 0.00 0.00 32.46 30.73 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 -2.23 0.14 -0.06 5.56 1.70 -0.03 -5.10 118.95 118.93 2k5i s ARG 120 Ca 0.33 -0.17 -0.00 0.00 -0.47 0.00 0.00 55.73 55.42 2k5i s ARG 120 Cb 0.25 -0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 2k5i s ARG 120 CO 0.09 0.01 -0.03 0.71 -1.08 0.00 0.00 175.30 175.00 2k5i s TYR 121 N -0.35 3.04 -0.04 5.89 2.02 -1.26 -0.24 117.35 126.42 2k5i s TYR 121 Ca -0.03 0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 2k5i s TYR 121 Cb -0.03 -1.73 0.02 0.00 -0.40 0.00 0.00 41.96 39.83 2k5i s TYR 121 CO -0.00 0.41 -0.04 0.71 -1.57 0.00 0.00 175.55 175.06 2k5i s TYR 122 N -0.89 0.66 -0.42 2.71 1.51 0.11 -1.56 117.35 119.47 2k5i s TYR 122 Ca 0.14 -0.16 -0.18 0.00 -1.01 0.00 0.00 57.07 55.85 2k5i s TYR 122 Cb -0.11 -0.59 0.02 0.00 -0.11 0.00 0.00 41.96 41.17 2k5i s TYR 122 CO 0.03 -0.16 0.50 0.42 -1.11 0.00 0.00 175.55 175.23 2k5i s ILE 123 N 0.82 5.01 0.00 2.71 -1.09 -0.77 -0.75 121.20 127.13 2k5i s ILE 123 Ca -0.11 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.16 2k5i s ILE 123 Cb -0.13 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 2k5i s ILE 123 CO -0.00 -0.45 0.00 -0.62 -1.23 0.00 0.00 174.94 172.64 2k5i n GLU 124 N 5.80 0.00 -1.03 2.79 1.02 -1.26 -1.15 120.64 126.80 2k5i n GLU 124 Ca -0.05 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.04 2k5i n GLU 124 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.85 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 0.00 0.64 3.21 0.62 0.00 -1.26 -5.06 105.19 103.33 2k5i n GLY 125 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2k5i n GLY 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5i s ARG 126 N 0.00 3.04 0.13 1.61 0.52 -0.30 -5.10 118.95 118.85 2k5i s ARG 126 Ca 0.06 -0.87 -0.31 0.00 -0.52 0.00 0.00 55.73 54.09 2k5i s ARG 126 Cb 0.07 -2.34 -0.09 0.00 0.52 0.00 0.00 34.95 33.10 2k5i s ARG 126 CO -0.03 0.12 1.57 -1.21 0.02 0.00 0.00 175.30 175.77 2k5i s GLU 127 N 0.48 4.22 -0.15 3.54 2.02 -1.26 -1.85 118.70 125.70 2k5i s GLU 127 Ca -0.15 2.32 -0.14 0.00 0.02 0.00 0.00 54.97 57.02 2k5i s GLU 127 Cb -0.17 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.73 2k5i s GLU 127 CO 0.06 -0.63 0.32 0.42 0.02 0.00 0.00 175.26 175.45 2k5i s ILE 128 N 1.56 5.28 -1.57 -1.63 -1.09 -0.60 -4.94 121.20 118.20 2k5i s ILE 128 Ca 0.71 0.61 0.07 0.00 -2.23 0.00 0.00 60.65 59.81 2k5i s ILE 128 Cb -0.42 -3.66 0.14 0.00 -1.58 0.00 0.00 42.46 36.95 2k5i s ILE 128 CO 0.31 0.39 1.03 0.47 -1.23 0.00 0.00 174.94 175.91 2k5i n ASP 129 N 3.53 0.00 -4.55 3.58 8.00 -1.26 -4.66 116.55 121.19 2k5i n ASP 129 Ca -0.11 0.08 -0.33 0.00 0.71 0.00 0.00 54.79 55.14 2k5i n ASP 129 Cb 0.52 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.37 2k5i n ASP 129 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k5i s LEU 130 N -2.43 3.25 -0.21 0.64 1.43 -1.26 -4.78 118.68 115.33 2k5i s LEU 130 Ca 0.08 0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 2k5i s LEU 130 Cb 0.05 -2.53 -0.19 0.00 0.03 0.00 0.00 46.19 43.55 2k5i s LEU 130 CO 0.10 -2.72 0.06 0.61 0.23 0.00 0.00 176.35 174.63 2k5i n GLY 131 N 6.10 -0.61 1.54 -3.19 0.00 -1.26 -4.82 105.19 102.95 2k5i n GLY 131 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.97 -2.22 -0.17 1.61 9.36 -1.26 -4.89 117.16 115.61 2k5i n TYR 132 Ca -0.39 0.18 -0.02 0.00 3.32 0.00 0.00 57.90 60.98 2k5i n TYR 132 Cb 0.87 0.78 0.07 0.00 -0.63 0.00 0.00 39.34 40.43 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 0.69 1.91 2.98 0.00 -1.97 -1.27 103.07 105.41 2k5i h GLY 133 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 47.33 47.06 2k5i h GLY 133 CO 0.00 -0.02 -0.85 0.83 0.00 0.00 0.00 176.54 176.50 2k5i h GLU 134 N 0.33 0.08 -0.24 4.80 5.08 -1.94 -3.33 114.58 119.37 2k5i h GLU 134 Ca 0.26 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 2k5i h GLU 134 Cb 0.30 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2k5i h GLU 134 CO -0.28 0.88 0.16 0.00 -1.00 0.00 0.00 179.01 178.78 2k5i h ALA 135 N 1.09 2.10 0.00 3.43 0.00 -1.56 -0.02 119.26 124.30 2k5i h ALA 135 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k5i h ALA 135 Cb 1.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2k5i h ALA 135 CO 0.12 -0.15 0.00 -2.37 0.00 0.00 0.00 179.25 176.84 2k5i n THR 136 N -4.49 0.60 0.26 0.00 5.66 -1.06 -2.96 114.28 112.29 2k5i n THR 136 Ca 0.02 0.08 0.12 0.00 -3.05 0.00 0.00 64.05 61.21 2k5i n THR 136 Cb 0.25 -0.81 0.05 0.00 -1.55 0.00 0.00 70.33 68.26 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 -5.20 1.09 1.79 -1.19 -3.45 116.57 109.61 2k5i h LYS 137 Ca 0.00 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.81 2k5i h LYS 137 Cb 0.44 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 30.92 2k5i h LYS 137 CO 0.00 0.00 -0.04 0.42 -1.08 0.00 0.00 179.45 178.75 2k5i s ILE 138 N -3.30 4.97 -0.04 1.86 1.09 -1.20 -0.27 121.20 124.31 2k5i s ILE 138 Ca 0.02 0.09 -0.21 0.00 -1.10 0.00 0.00 60.65 59.44 2k5i s ILE 138 Cb 0.11 -4.06 -0.05 0.00 -1.06 0.00 0.00 42.46 37.40 2k5i s ILE 138 CO 0.77 -0.39 0.62 0.26 -0.10 0.00 0.00 174.94 176.10 2k5i s TRP 139 N 2.46 3.63 0.29 3.97 0.52 0.28 0.08 118.94 130.18 2k5i s TRP 139 Ca 0.18 1.18 0.02 0.00 0.02 0.00 0.00 56.10 57.50 2k5i s TRP 139 Cb -0.15 -2.67 -0.05 0.00 -1.15 0.00 0.00 33.47 29.45 2k5i s TRP 139 CO 0.15 0.24 0.10 0.14 0.02 0.00 0.00 176.95 177.60 2k5i s VAL 140 N 0.24 0.71 0.06 4.03 -7.23 0.38 -0.61 120.40 117.98 2k5i s VAL 140 Ca 0.33 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 2k5i s VAL 140 Cb -0.18 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 2k5i s VAL 140 CO 0.17 0.00 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.71 2k5i s ARG 141 N -3.94 0.71 -0.13 4.82 0.52 0.71 -1.70 118.95 119.93 2k5i s ARG 141 Ca 0.36 -0.86 -0.29 0.00 -0.52 0.00 0.00 55.73 54.42 2k5i s ARG 141 Cb 0.07 -0.63 -0.01 0.00 0.52 0.00 0.00 34.95 34.90 2k5i s ARG 141 CO 0.15 0.14 1.05 0.50 0.02 0.00 0.00 175.30 177.16 2k5i s ARG 142 N -1.61 4.36 0.24 3.54 6.06 -1.26 -0.34 118.95 129.94 2k5i s ARG 142 Ca -0.05 1.44 0.05 0.00 -2.50 0.00 0.00 55.73 54.67 2k5i s ARG 142 Cb -0.10 -3.58 -0.05 0.00 0.06 0.00 0.00 34.95 31.28 2k5i s ARG 142 CO 0.01 -0.43 -0.06 0.14 -2.50 0.00 0.00 175.30 172.47 2k5i s VAL 143 N 2.41 1.38 -0.16 7.11 -7.23 -0.19 -4.92 120.40 118.80 2k5i s VAL 143 Ca 0.49 -2.10 0.15 0.00 -1.81 0.00 0.00 61.98 58.71 2k5i s VAL 143 Cb -0.18 -2.28 0.43 0.00 0.56 0.00 0.00 36.38 34.90 2k5i s VAL 143 CO 0.15 -0.41 1.20 -0.24 -0.31 0.00 0.00 175.10 175.50 2k5i n SER 144 N -0.45 1.68 0.00 4.85 2.88 -1.26 -3.56 113.62 117.76 2k5i n SER 144 Ca -0.06 -3.32 0.06 0.00 -1.33 0.00 0.00 58.87 54.22 2k5i n SER 144 Cb 0.63 -0.45 0.32 0.00 -0.75 0.00 0.00 64.21 63.95 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 -0.63 0.00 -4.27 -3.46 9.92 -1.26 -4.02 116.55 112.83 2k5i n ASP 145 Ca 0.16 0.02 -0.35 0.00 -0.53 0.00 0.00 54.79 54.10 2k5i n ASP 145 Cb 0.84 -0.24 -0.05 0.00 -0.64 0.00 0.00 41.12 41.03 2k5i n ASP 145 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k5i n ALA 146 N -1.24 2.60 -0.96 2.24 0.00 -1.26 -4.26 120.51 117.63 2k5i n ALA 146 Ca 0.06 -3.24 0.00 0.00 0.00 0.00 0.00 53.44 50.27 2k5i n ALA 146 Cb 0.09 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 16.00 2k5i n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5i n GLY 147 N 5.31 0.03 3.61 0.00 0.00 -1.26 -4.93 105.19 107.95 2k5i n GLY 147 Ca 0.47 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.83 3.95 -0.05 1.61 0.41 -1.26 -4.92 118.70 116.61 2k5i s GLU 148 Ca 0.00 0.54 -0.05 0.00 -0.41 0.00 0.00 54.97 55.06 2k5i s GLU 148 Cb 0.00 -3.73 -0.02 0.00 -1.78 0.00 0.00 34.13 28.60 2k5i s GLU 148 CO 0.00 -0.67 -0.09 0.39 -0.49 0.00 0.00 175.26 174.40 2k5i n GLU 149 N 6.16 0.15 -3.54 1.61 1.02 -1.26 -4.90 120.64 119.88 2k5i n GLU 149 Ca 0.03 0.13 -0.07 0.00 -0.02 0.00 0.00 57.16 57.23 2k5i n GLU 149 Cb 0.48 -0.84 -0.02 0.00 -0.02 0.00 0.00 31.44 31.05 2k5i n GLU 149 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k5i s SER 150 N -4.47 -0.30 -0.21 1.62 0.15 -1.26 -5.15 113.70 104.08 2k5i s SER 150 Ca -0.08 -0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.38 2k5i s SER 150 Cb 0.01 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 2k5i s SER 150 CO 0.11 -0.54 0.47 -1.00 1.20 0.00 0.00 173.24 173.48 2k5i s HIS 151 N -2.96 3.35 0.54 3.44 3.76 -1.26 -5.07 115.29 117.09 2k5i s HIS 151 Ca 0.06 0.69 -0.09 0.00 -0.15 0.00 0.00 55.06 55.57 2k5i s HIS 151 Cb -0.01 -2.63 0.13 0.00 1.11 0.00 0.00 32.58 31.19 2k5i s HIS 151 CO -0.07 -0.10 0.49 -0.35 -0.85 0.00 0.00 174.74 173.85 2k5i n PRO 152 N 4.82 -1.92 -1.98 8.40 -0.04 -1.26 -4.98 135.00 138.04 2k5i n PRO 152 Ca -0.06 -0.78 -0.39 0.00 -0.04 0.00 0.00 63.50 62.23 2k5i n PRO 152 Cb 0.51 -0.72 0.01 0.00 -0.04 0.00 0.00 33.50 33.25 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 -4.10 3.75 0.37 0.54 2.00 -1.26 -4.99 119.66 115.98 2k5i s GLN 153 Ca 0.31 2.18 -0.27 0.00 -2.00 0.00 0.00 55.36 55.58 2k5i s GLN 153 Cb -0.03 -2.62 -0.09 0.00 0.80 0.00 0.00 33.01 31.07 2k5i s GLN 153 CO 0.24 -0.68 1.28 0.15 -0.50 0.00 0.00 175.29 175.78 2k5i s LYS 154 N -2.44 4.14 0.63 1.67 3.01 -1.26 -4.96 119.74 120.53 2k5i s LYS 154 Ca 0.61 2.12 -0.17 0.00 -1.01 0.00 0.00 55.97 57.51 2k5i s LYS 154 Cb -0.38 -2.87 -0.05 0.00 -1.01 0.00 0.00 37.83 33.52 2k5i s LYS 154 CO 0.49 -0.33 0.79 1.28 0.51 0.00 0.00 175.35 178.08 2k5i n LEU 155 N 0.40 2.54 -0.21 3.17 4.77 -1.26 -4.91 117.00 121.50 2k5i n LEU 155 Ca 0.02 0.73 -0.06 0.00 -0.03 0.00 0.00 56.01 56.68 2k5i n LEU 155 Cb 0.43 -1.31 0.04 0.00 -2.33 0.00 0.00 43.42 40.25 2k5i n LEU 155 CO 0.56 -2.38 1.12 -0.33 -1.33 0.00 0.00 177.39 175.03 2k5i h GLU 156 N 0.17 0.77 -2.78 3.23 5.08 -2.06 -3.39 114.58 115.61 2k5i h GLU 156 Ca -0.47 -0.05 -0.55 0.00 -1.00 0.00 0.00 59.36 57.29 2k5i h GLU 156 Cb 1.37 -0.17 -0.40 0.00 0.50 0.00 0.00 28.75 30.05 2k5i h GLU 156 CO 0.48 0.51 -0.80 -3.38 -1.00 0.00 0.00 179.01 174.82 2k5i s HIS 157 N -6.15 0.55 -0.81 4.33 -3.43 -1.26 -5.08 115.29 103.44 2k5i s HIS 157 Ca -0.13 -1.18 -0.25 0.00 -0.80 0.00 0.00 55.06 52.70 2k5i s HIS 157 Cb 0.13 -0.97 -0.03 0.00 -1.43 0.00 0.00 32.58 30.28 2k5i s HIS 157 CO 0.75 -0.83 1.88 -1.58 -2.00 0.00 0.00 174.74 172.96 2k5i s HIS 158 N 1.73 1.80 -0.54 0.38 2.46 -1.26 -4.94 115.29 114.93 2k5i s HIS 158 Ca 0.12 0.60 -0.25 0.00 0.47 0.00 0.00 55.06 56.00 2k5i s HIS 158 Cb -0.18 -4.10 0.04 0.00 -0.13 0.00 0.00 32.58 28.20 2k5i s HIS 158 CO -0.24 -1.94 0.96 -3.38 -2.47 0.00 0.00 174.74 167.67 2k5i s HIS 159 N 9.43 2.80 0.17 3.88 -3.43 -1.26 -4.90 115.29 121.98 2k5i s HIS 159 Ca 0.67 0.11 -0.00 0.00 -0.80 0.00 0.00 55.06 55.04 2k5i s HIS 159 Cb -0.08 -4.09 0.03 0.00 -1.43 0.00 0.00 32.58 27.00 2k5i s HIS 159 CO 0.06 -1.32 1.40 1.25 -2.00 0.00 0.00 174.74 174.13 2k5i h HIS 160 N 9.29 0.47 0.00 0.38 2.76 -2.08 -3.46 115.15 122.50 2k5i h HIS 160 Ca -0.26 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2k5i h HIS 160 Cb 1.07 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.97 2k5i h HIS 160 CO 0.91 1.00 0.00 1.58 -1.30 0.00 0.00 177.93 180.13 2k5i n HIS 161 N -3.77 0.00 0.00 5.26 -0.00 -1.26 -5.37 115.22 110.08 2k5i n HIS 161 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2k5i n HIS 161 Cb 0.75 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.62 2k5i n HIS 161 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38