#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 3.14 0.15 3.17 3.01 -1.26 -0.59 119.74 127.36 2k5i s LYS 2 Ca 0.00 -0.50 0.14 0.00 -1.01 0.00 0.00 55.97 54.60 2k5i s LYS 2 Cb 0.00 -2.89 0.68 0.00 -1.01 0.00 0.00 37.83 34.61 2k5i s LYS 2 CO 0.00 0.63 1.44 1.47 0.51 0.00 0.00 175.35 179.40 2k5i n LEU 3 N 0.83 0.31 0.26 3.17 -0.00 -1.19 -2.81 117.00 117.57 2k5i n LEU 3 Ca -0.10 0.61 0.18 0.00 -0.00 0.00 0.00 56.01 56.70 2k5i n LEU 3 Cb 0.52 -0.61 0.89 0.00 -0.00 0.00 0.00 43.42 44.22 2k5i n LEU 3 CO 0.43 -0.59 1.15 0.77 -0.00 0.00 0.00 177.39 179.15 2k5i h SER 4 N 0.00 0.00 0.00 1.45 4.64 -1.86 -1.35 113.55 116.42 2k5i h SER 4 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k5i h SER 4 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2k5i h SER 4 CO 0.00 0.00 -0.11 -2.11 -0.87 0.00 0.00 176.83 173.74 2k5i n ARG 5 N -3.38 1.12 -2.46 4.77 1.85 -1.12 -4.90 116.66 112.54 2k5i n ARG 5 Ca 0.00 -2.08 -0.42 0.00 -1.00 0.00 0.00 57.85 54.35 2k5i n ARG 5 Cb 0.33 -1.21 -0.03 0.00 -1.05 0.00 0.00 32.46 30.50 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 -2.00 4.37 0.09 2.89 2.96 -0.51 -4.92 118.68 121.56 2k5i s LEU 6 Ca 0.21 1.97 -0.31 0.00 -0.22 0.00 0.00 54.13 55.78 2k5i s LEU 6 Cb 0.19 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.20 2k5i s LEU 6 CO 0.02 -0.44 1.79 -0.69 -1.32 0.00 0.00 176.35 175.71 2k5i s VAL 7 N 1.05 2.75 -0.11 1.68 1.01 -1.26 -4.90 120.40 120.63 2k5i s VAL 7 Ca 0.58 0.18 -0.32 0.00 0.00 0.00 0.00 61.98 62.42 2k5i s VAL 7 Cb -0.28 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 2k5i s VAL 7 CO 0.29 -0.00 2.02 -0.81 0.00 0.00 0.00 175.10 176.59 2k5i n PRO 8 N 5.92 2.23 0.00 2.72 -0.04 -1.26 -1.61 135.00 142.95 2k5i n PRO 8 Ca 0.17 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 2k5i n PRO 8 Cb 0.39 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 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 4.96 1.05 3.67 0.55 0.00 0.14 -4.98 105.19 110.58 2k5i n GLY 9 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 5.26 -0.08 1.61 1.01 -0.64 -4.95 120.40 120.62 2k5i s VAL 10 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 2k5i s VAL 10 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2k5i s VAL 10 CO 0.00 0.29 1.12 -2.16 0.00 0.00 0.00 175.10 174.35 2k5i s PRO 11 N 1.17 4.38 0.53 2.72 0.04 -1.26 -3.69 135.00 138.88 2k5i s PRO 11 Ca 0.15 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2k5i s PRO 11 Cb -0.14 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2k5i s PRO 11 CO 0.06 -0.39 0.02 0.00 0.04 0.00 0.00 177.00 176.73 2k5i n ALA 12 N 5.13 0.47 -3.22 8.56 0.00 0.83 -0.80 120.51 131.48 2k5i n ALA 12 Ca 0.10 -2.35 -0.13 0.00 0.00 0.00 0.00 53.44 51.07 2k5i n ALA 12 Cb 0.47 1.26 -0.11 0.00 0.00 0.00 0.00 19.45 21.08 2k5i n ALA 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k5i s ARG 13 N -3.91 0.36 0.16 0.00 3.52 0.23 -0.21 118.95 119.09 2k5i s ARG 13 Ca 0.02 0.44 -0.31 0.00 -0.13 0.00 0.00 55.73 55.74 2k5i s ARG 13 Cb -0.00 0.17 -0.10 0.00 -1.56 0.00 0.00 34.95 33.46 2k5i s ARG 13 CO 0.01 -0.05 1.58 0.42 -0.81 0.00 0.00 175.30 176.46 2k5i s ILE 14 N 0.20 2.65 -0.01 4.11 -1.09 -0.36 -0.79 121.20 125.91 2k5i s ILE 14 Ca -0.00 0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 58.84 2k5i s ILE 14 Cb -0.02 -3.28 -0.00 0.00 -1.58 0.00 0.00 42.46 37.57 2k5i s ILE 14 CO 0.00 0.03 -0.03 0.29 -1.23 0.00 0.00 174.94 174.01 2k5i n LYS 15 N 4.15 0.04 -3.86 2.79 4.76 -0.33 -2.82 118.16 122.89 2k5i n LYS 15 Ca 0.14 0.02 -0.12 0.00 -2.87 0.00 0.00 58.31 55.48 2k5i n LYS 15 Cb 0.39 -0.38 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 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 -1.19 0.18 -0.21 1.97 1.70 -0.79 -4.79 118.95 115.81 2k5i s ARG 16 Ca -0.02 -0.05 -0.02 0.00 -0.47 0.00 0.00 55.73 55.17 2k5i s ARG 16 Cb 0.00 0.08 0.01 0.00 -0.57 0.00 0.00 34.95 34.47 2k5i s ARG 16 CO 0.03 -0.03 -0.09 -0.51 -1.08 0.00 0.00 175.30 173.62 2k5i s LEU 17 N -0.36 2.74 -0.27 -1.89 1.02 -1.26 -0.65 118.68 118.01 2k5i s LEU 17 Ca -0.04 -0.58 0.06 0.00 0.02 0.00 0.00 54.13 53.59 2k5i s LEU 17 Cb -0.03 -1.65 0.55 0.00 0.02 0.00 0.00 46.19 45.08 2k5i s LEU 17 CO 0.00 -0.04 1.58 -1.84 0.02 0.00 0.00 176.35 176.08 2k5i n GLU 18 N 4.72 2.76 -4.58 1.70 0.28 -0.00 -4.91 120.64 120.61 2k5i n GLU 18 Ca -0.19 -2.29 -0.23 0.00 -0.16 0.00 0.00 57.16 54.29 2k5i n GLU 18 Cb 0.50 -1.96 -0.16 0.00 1.43 0.00 0.00 31.44 31.25 2k5i n GLU 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2k5i s VAL 19 N -2.40 1.06 -0.03 3.84 0.11 -1.26 -5.02 120.40 116.69 2k5i s VAL 19 Ca 0.42 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 2k5i s VAL 19 Cb 0.34 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 34.28 2k5i s VAL 19 CO 0.10 0.32 -0.05 -0.94 -3.33 0.00 0.00 175.10 171.19 2k5i s SER 20 N 0.14 0.86 0.00 3.54 1.04 -1.26 -4.57 113.70 113.45 2k5i s SER 20 Ca -0.04 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2k5i s SER 20 Cb -0.10 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.71 2k5i s SER 20 CO 0.01 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2k5i n GLY 21 N 3.61 0.12 0.30 7.32 0.00 -1.26 -4.81 105.19 110.47 2k5i n GLY 21 Ca -0.21 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.22 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 0.55 -0.02 1.61 4.39 -2.01 -1.54 114.58 117.57 2k5i h GLU 22 Ca 0.00 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.48 2k5i h GLU 22 Cb 0.00 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2k5i h GLU 22 CO 0.00 0.37 -0.72 1.25 -1.16 0.00 0.00 179.01 178.74 2k5i h LEU 23 N 0.57 0.66 -1.16 1.33 5.85 -1.96 -3.30 115.31 117.31 2k5i h LEU 23 Ca 0.44 -0.74 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 2k5i h LEU 23 Cb 0.63 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2k5i h LEU 23 CO -0.37 1.31 0.33 -0.74 -0.34 0.00 0.00 178.44 178.64 2k5i h HIS 24 N 0.08 0.91 -0.26 1.25 2.76 -1.59 -0.78 115.15 117.52 2k5i h HIS 24 Ca -0.09 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 57.95 2k5i h HIS 24 Cb 1.41 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 30.07 2k5i h HIS 24 CO 0.13 0.65 -0.30 1.05 -1.30 0.00 0.00 177.93 178.17 2k5i h GLU 25 N 0.92 0.54 0.01 5.26 -0.00 -1.43 -1.56 114.58 118.32 2k5i h GLU 25 Ca 0.23 -0.23 -0.19 0.00 -0.00 0.00 0.00 59.36 59.17 2k5i h GLU 25 Cb 0.07 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.78 2k5i h GLU 25 CO -0.03 0.78 -0.89 1.57 -0.00 0.00 0.00 179.01 180.44 2k5i h LYS 26 N 0.46 0.12 0.47 1.06 2.10 -1.56 -3.13 116.57 116.09 2k5i h LYS 26 Ca 0.06 -0.14 -0.02 0.00 -2.00 0.00 0.00 60.65 58.54 2k5i h LYS 26 Cb 0.75 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2k5i h LYS 26 CO 0.06 0.93 -0.22 -0.07 -2.00 0.00 0.00 179.45 178.14 2k5i h LEU 27 N 0.06 -0.53 -1.71 7.07 3.38 -0.79 -1.14 115.31 121.66 2k5i h LEU 27 Ca -0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2k5i h LEU 27 Cb 1.53 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 2k5i h LEU 27 CO 0.13 -0.36 0.25 -0.37 0.09 0.00 0.00 178.44 178.18 2k5i h VAL 28 N -0.65 1.01 -0.37 1.22 -1.51 -1.41 -0.04 116.25 114.50 2k5i h VAL 28 Ca -0.06 -0.13 -0.12 0.00 -1.23 0.00 0.00 66.70 65.15 2k5i h VAL 28 Cb 0.50 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.24 2k5i h VAL 28 CO 0.11 0.07 -0.27 1.23 -1.23 0.00 0.00 177.57 177.48 2k5i h GLY 29 N 0.38 0.85 1.68 5.19 0.00 -1.46 -2.99 103.07 106.72 2k5i h GLY 29 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2k5i h GLY 29 CO -0.04 0.69 -0.06 1.03 0.00 0.00 0.00 176.54 178.17 2k5i n MET 30 N -4.09 0.18 0.00 4.80 2.00 -0.40 -4.91 117.12 114.70 2k5i n MET 30 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.67 2k5i n MET 30 Cb 0.46 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.18 2k5i n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k5i n GLY 31 N 1.42 1.19 3.57 3.03 0.00 -0.20 -4.82 105.19 109.37 2k5i n GLY 31 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 2.06 0.03 1.61 0.40 -0.20 -4.88 117.98 114.99 2k5i s PHE 32 Ca 0.00 0.14 0.09 0.00 -0.60 0.00 0.00 56.93 56.56 2k5i s PHE 32 Cb 0.00 -4.19 -0.03 0.00 0.51 0.00 0.00 43.02 39.32 2k5i s PHE 32 CO 0.00 -1.57 -0.26 0.14 0.70 0.00 0.00 175.22 174.24 2k5i s VAL 33 N 9.18 2.06 -0.64 -0.44 -7.23 -1.26 -4.43 120.40 117.64 2k5i s VAL 33 Ca 0.65 -1.28 -0.26 0.00 -1.81 0.00 0.00 61.98 59.28 2k5i s VAL 33 Cb -0.02 -1.75 -0.09 0.00 0.56 0.00 0.00 36.38 35.07 2k5i s VAL 33 CO 0.04 0.42 2.35 -2.16 -0.31 0.00 0.00 175.10 175.44 2k5i s PRO 34 N -1.04 1.96 0.00 4.82 0.04 -1.26 -2.27 135.00 137.26 2k5i s PRO 34 Ca 0.11 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2k5i s PRO 34 Cb -0.10 -4.67 0.00 0.00 0.04 0.00 0.00 34.50 29.77 2k5i s PRO 34 CO 0.01 -3.70 0.00 0.41 0.04 0.00 0.00 177.00 173.76 2k5i n GLY 35 N 6.34 1.69 3.77 0.56 0.00 -1.13 -5.00 105.19 111.42 2k5i n GLY 35 Ca 0.40 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 2k5i n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5i s GLU 36 N 0.00 3.97 0.29 1.61 0.41 -0.96 -4.69 118.70 119.32 2k5i s GLU 36 Ca 0.00 1.95 -0.28 0.00 -0.41 0.00 0.00 54.97 56.23 2k5i s GLU 36 Cb 0.00 -2.66 -0.10 0.00 -1.78 0.00 0.00 34.13 29.59 2k5i s GLU 36 CO 0.00 -0.43 0.94 -1.21 -0.49 0.00 0.00 175.26 174.08 2k5i s GLU 37 N -2.33 4.69 -0.03 1.61 8.01 -1.26 -1.22 118.70 128.16 2k5i s GLU 37 Ca 0.58 1.40 -0.01 0.00 0.01 0.00 0.00 54.97 56.95 2k5i s GLU 37 Cb -0.33 -2.99 0.03 0.00 -4.31 0.00 0.00 34.13 26.52 2k5i s GLU 37 CO 0.42 0.37 0.06 -1.50 0.01 0.00 0.00 175.26 174.62 2k5i s ILE 38 N -1.44 -0.08 -0.01 -1.63 2.07 0.70 -4.61 121.20 116.21 2k5i s ILE 38 Ca 0.46 0.26 0.07 0.00 -1.41 0.00 0.00 60.65 60.04 2k5i s ILE 38 Cb -0.22 -0.12 -0.02 0.00 0.13 0.00 0.00 42.46 42.23 2k5i s ILE 38 CO 0.27 0.11 -0.23 -1.83 -1.91 0.00 0.00 174.94 171.35 2k5i s GLU 39 N 1.37 1.83 -0.30 3.50 -1.05 -1.21 -0.12 118.70 122.71 2k5i s GLU 39 Ca -0.06 -0.84 -0.22 0.00 -0.15 0.00 0.00 54.97 53.71 2k5i s GLU 39 Cb -0.13 -1.78 -0.01 0.00 -0.44 0.00 0.00 34.13 31.77 2k5i s GLU 39 CO -0.03 0.49 0.69 0.42 0.95 0.00 0.00 175.26 177.78 2k5i s ILE 40 N -0.56 4.89 -0.12 1.83 -1.09 -1.24 -0.63 121.20 124.28 2k5i s ILE 40 Ca 0.09 1.04 -0.09 0.00 -2.23 0.00 0.00 60.65 59.47 2k5i s ILE 40 Cb -0.09 -4.05 -0.07 0.00 -1.58 0.00 0.00 42.46 36.67 2k5i s ILE 40 CO -0.01 -0.15 0.18 0.58 -1.23 0.00 0.00 174.94 174.31 2k5i h VAL 41 N 5.54 0.47 -3.47 2.92 2.07 -0.74 0.39 116.25 123.42 2k5i h VAL 41 Ca -0.26 -1.37 -0.10 0.00 0.82 0.00 0.00 66.70 65.80 2k5i h VAL 41 Cb 1.11 0.91 -0.16 0.00 -1.52 0.00 0.00 31.29 31.62 2k5i h VAL 41 CO 0.83 0.16 -0.30 0.00 0.02 0.00 0.00 177.57 178.27 2k5i s GLN 42 N -1.81 0.79 0.06 1.57 -2.07 -1.16 -4.51 119.66 112.53 2k5i s GLN 42 Ca -0.07 -0.63 0.06 0.00 -1.82 0.00 0.00 55.36 52.90 2k5i s GLN 42 Cb -0.00 0.33 -0.04 0.00 -1.09 0.00 0.00 33.01 32.22 2k5i s GLN 42 CO 0.21 -0.25 -0.13 0.08 -1.32 0.00 0.00 175.29 173.88 2k5i s VAL 43 N -2.83 3.18 0.55 3.63 1.01 -1.26 -0.92 120.40 123.75 2k5i s VAL 43 Ca -0.03 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 60.63 2k5i s VAL 43 Cb 0.00 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 2k5i s VAL 43 CO -0.05 0.25 1.03 0.00 0.00 0.00 0.00 175.10 176.34 2k5i s ALA 44 N -1.06 2.85 -1.31 5.51 0.00 -0.57 -4.93 121.76 122.26 2k5i s ALA 44 Ca 0.18 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2k5i s ALA 44 Cb -0.11 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2k5i s ALA 44 CO 0.09 -0.54 0.81 -0.35 0.00 0.00 0.00 175.76 175.77 2k5i n PRO 45 N -1.63 0.00 0.00 0.00 -0.04 -1.26 -0.82 135.00 131.25 2k5i n PRO 45 Ca 0.08 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 2k5i n PRO 45 Cb 0.53 -1.51 0.28 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.31 1.97 0.00 1.53 4.32 -1.26 -4.90 117.00 117.34 2k5i n LEU 46 Ca 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 56.01 55.34 2k5i n LEU 46 Cb 0.01 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 2k5i n LEU 46 CO 0.00 0.34 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 2k5i n GLY 47 N 1.30 1.14 3.58 -0.72 0.00 0.00 -4.99 105.19 105.50 2k5i n GLY 47 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.83 -0.18 0.96 1.61 1.47 -1.23 -4.79 116.67 111.69 2k5i s ASP 48 Ca 0.00 -0.02 -0.12 0.00 1.18 0.00 0.00 52.55 53.59 2k5i s ASP 48 Cb 0.00 0.20 0.17 0.00 -0.34 0.00 0.00 42.92 42.95 2k5i s ASP 48 CO 0.00 -0.33 1.10 -2.84 0.68 0.00 0.00 175.17 173.78 2k5i s PRO 49 N -2.58 0.72 -0.08 2.11 0.02 -1.26 -4.58 135.00 129.35 2k5i s PRO 49 Ca 0.09 0.53 0.00 0.00 0.02 0.00 0.00 61.00 61.64 2k5i s PRO 49 Cb -0.01 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.72 2k5i s PRO 49 CO -0.05 -2.53 -0.07 0.96 -0.33 0.00 0.00 177.00 174.98 2k5i s ILE 50 N -3.02 3.70 -0.34 2.83 -0.00 0.64 -1.51 121.20 123.50 2k5i s ILE 50 Ca 0.65 -0.47 -0.14 0.00 -0.00 0.00 0.00 60.65 60.69 2k5i s ILE 50 Cb -0.18 -2.53 -0.01 0.00 -0.00 0.00 0.00 42.46 39.74 2k5i s ILE 50 CO 0.57 0.58 0.30 -0.69 -0.00 0.00 0.00 174.94 175.70 2k5i s VAL 51 N -0.59 5.23 0.56 8.37 1.01 -0.10 -2.07 120.40 132.81 2k5i s VAL 51 Ca 0.09 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2k5i s VAL 51 Cb -0.12 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.54 2k5i s VAL 51 CO 0.02 -0.06 0.39 0.00 0.00 0.00 0.00 175.10 175.45 2k5i s LYS 53 N -4.27 1.40 -0.09 0.00 1.02 0.20 -0.32 119.74 117.68 2k5i s LYS 53 Ca 0.29 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.57 2k5i s LYS 53 Cb -0.02 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2k5i s LYS 53 CO 0.19 -0.55 -0.19 0.42 -0.92 0.00 0.00 175.35 174.30 2k5i s ILE 54 N 1.55 2.58 -1.45 2.17 1.01 -0.53 -3.35 121.20 123.19 2k5i s ILE 54 Ca -0.03 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 2k5i s ILE 54 Cb -0.17 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.30 2k5i s ILE 54 CO -0.07 0.55 0.42 0.61 0.00 0.00 0.00 174.94 176.45 2k5i n GLY 55 N 3.22 -0.51 4.32 6.18 0.00 -1.26 -1.93 105.19 115.20 2k5i n GLY 55 Ca -0.18 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.31 0.00 -4.85 1.61 4.13 -1.26 -4.97 115.26 107.60 2k5i n ASN 56 Ca -0.11 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.84 2k5i n ASN 56 Cb 0.61 -0.07 0.01 0.00 -1.54 0.00 0.00 39.78 38.79 2k5i n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k5i s ARG 57 N 0.00 3.54 0.20 3.52 1.70 -0.81 -4.91 118.95 122.18 2k5i s ARG 57 Ca 0.00 0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 55.80 2k5i s ARG 57 Cb 0.00 -2.07 -0.08 0.00 -0.57 0.00 0.00 34.95 32.23 2k5i s ARG 57 CO 0.00 -0.62 0.95 -0.80 -1.08 0.00 0.00 175.30 173.75 2k5i s ASN 58 N -3.88 7.60 0.08 -2.89 -0.87 -1.26 -1.45 114.94 112.27 2k5i s ASN 58 Ca 0.56 1.90 0.06 0.00 -1.57 0.00 0.00 52.86 53.82 2k5i s ASN 58 Cb -0.12 -2.60 -0.03 0.00 -0.02 0.00 0.00 41.25 38.48 2k5i s ASN 58 CO 0.50 0.09 -0.17 -0.63 -2.57 0.00 0.00 177.10 174.32 2k5i s ILE 59 N -0.82 1.37 -0.21 0.60 -1.09 0.56 -4.90 121.20 116.72 2k5i s ILE 59 Ca 0.43 -1.38 0.01 0.00 -2.23 0.00 0.00 60.65 57.48 2k5i s ILE 59 Cb -0.25 -1.28 0.05 0.00 -1.58 0.00 0.00 42.46 39.40 2k5i s ILE 59 CO 0.31 -0.13 -0.08 -0.89 -1.23 0.00 0.00 174.94 172.93 2k5i s THR 60 N -1.18 1.56 -0.03 2.92 2.01 -1.26 -0.56 115.64 119.11 2k5i s THR 60 Ca 0.02 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 61.02 2k5i s THR 60 Cb -0.10 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 2k5i s THR 60 CO 0.03 0.06 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.02 2k5i s LEU 61 N 1.41 2.04 0.36 4.42 2.01 -0.88 -4.98 118.68 123.06 2k5i s LEU 61 Ca -0.03 -0.44 0.08 0.00 0.01 0.00 0.00 54.13 53.75 2k5i s LEU 61 Cb -0.17 -1.23 -0.03 0.00 0.01 0.00 0.00 46.19 44.76 2k5i s LEU 61 CO -0.07 0.28 0.23 0.00 1.01 0.00 0.00 176.35 177.79 2k5i s ARG 62 N -0.45 2.49 0.14 1.70 3.03 -1.26 -0.26 118.95 124.34 2k5i s ARG 62 Ca 0.06 -1.50 -0.28 0.00 2.03 0.00 0.00 55.73 56.04 2k5i s ARG 62 Cb -0.10 -2.28 -0.03 0.00 -1.03 0.00 0.00 34.95 31.51 2k5i s ARG 62 CO 0.00 0.03 1.57 0.87 -1.13 0.00 0.00 175.30 176.65 2k5i h LYS 63 N 1.36 -0.37 -1.05 3.89 1.79 -1.93 0.27 116.57 120.52 2k5i h LYS 63 Ca -0.44 0.03 0.28 0.00 -2.18 0.00 0.00 60.65 58.34 2k5i h LYS 63 Cb 1.26 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 31.92 2k5i h LYS 63 CO 0.61 -0.25 0.70 0.07 -1.08 0.00 0.00 179.45 179.51 2k5i h ARG 64 N -0.39 0.25 0.00 3.15 0.11 -2.00 -0.96 114.38 114.55 2k5i h ARG 64 Ca 0.11 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.14 2k5i h ARG 64 Cb 0.60 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2k5i h ARG 64 CO -0.52 0.17 -0.43 0.93 0.10 0.00 0.00 179.97 180.21 2k5i h GLU 65 N 0.26 0.00 -0.14 0.08 5.08 -1.44 -3.41 114.58 115.01 2k5i h GLU 65 Ca 0.56 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.96 2k5i h GLU 65 Cb 1.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 2k5i h GLU 65 CO -0.19 0.23 0.10 0.00 -1.00 0.00 0.00 179.01 178.15 2k5i h ALA 66 N -0.84 2.12 0.00 3.43 0.00 -0.18 0.02 119.26 123.80 2k5i h ALA 66 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k5i h ALA 66 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k5i h ALA 66 CO -0.03 -0.17 0.00 -0.25 0.00 0.00 0.00 179.25 178.80 2k5i n ASP 67 N -4.48 0.00 -0.09 0.00 8.00 -0.40 -1.54 116.55 118.04 2k5i n ASP 67 Ca 0.00 0.36 0.12 0.00 0.71 0.00 0.00 54.79 55.98 2k5i n ASP 67 Cb 0.22 -0.42 0.23 0.00 -0.02 0.00 0.00 41.12 41.13 2k5i n ASP 67 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k5i n LEU 68 N -1.42 0.77 -4.19 0.64 7.99 -0.00 -4.80 117.00 115.99 2k5i n LEU 68 Ca 0.03 -0.16 -0.35 0.00 -0.01 0.00 0.00 56.01 55.52 2k5i n LEU 68 Cb 0.11 -0.17 -0.14 0.00 -0.11 0.00 0.00 43.42 43.10 2k5i n LEU 68 CO 0.09 0.17 -0.38 -0.63 -1.51 0.00 0.00 177.39 175.13 2k5i s ILE 69 N -2.84 2.92 -0.14 -0.08 1.09 -0.59 -0.82 121.20 120.74 2k5i s ILE 69 Ca 0.15 -1.20 -0.13 0.00 -1.10 0.00 0.00 60.65 58.36 2k5i s ILE 69 Cb 0.18 -2.58 -0.05 0.00 -1.06 0.00 0.00 42.46 38.95 2k5i s ILE 69 CO 0.67 0.05 0.28 -0.70 -0.10 0.00 0.00 174.94 175.14 2k5i s GLU 70 N 1.29 4.11 0.40 2.79 2.12 0.18 -3.15 118.70 126.43 2k5i s GLU 70 Ca -0.03 0.10 0.03 0.00 0.36 0.00 0.00 54.97 55.44 2k5i s GLU 70 Cb -0.18 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 2k5i s GLU 70 CO -0.03 0.36 0.09 0.14 -0.54 0.00 0.00 175.26 175.29 2k5i s VAL 71 N 0.09 0.84 0.28 3.70 -7.23 0.24 -1.18 120.40 117.14 2k5i s VAL 71 Ca 0.17 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.43 2k5i s VAL 71 Cb -0.13 -2.46 -0.06 0.00 0.56 0.00 0.00 36.38 34.29 2k5i s VAL 71 CO 0.05 0.00 -0.12 -1.83 -0.31 0.00 0.00 175.10 172.89 2k5i s GLU 72 N -3.78 1.61 -0.26 4.82 -1.05 0.03 -4.29 118.70 115.79 2k5i s GLU 72 Ca 0.25 -1.79 -0.18 0.00 -0.15 0.00 0.00 54.97 53.11 2k5i s GLU 72 Cb 0.04 -1.46 -0.03 0.00 -0.44 0.00 0.00 34.13 32.25 2k5i s GLU 72 CO 0.14 0.17 0.53 0.08 0.95 0.00 0.00 175.26 177.13 2k5i s VAL 73 N -2.76 5.06 0.30 1.83 1.01 -1.26 -0.60 120.40 123.97 2k5i s VAL 73 Ca 0.29 0.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.18 2k5i s VAL 73 Cb 0.00 -3.85 0.27 0.00 0.00 0.00 0.00 36.38 32.80 2k5i s VAL 73 CO 0.13 0.08 1.95 0.58 0.00 0.00 0.00 175.10 177.84 2k5i h VAL 74 N 5.38 1.18 0.00 2.92 2.07 -1.25 -1.05 116.25 125.50 2k5i h VAL 74 Ca -0.29 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2k5i h VAL 74 Cb 1.14 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2k5i h VAL 74 CO 0.73 0.20 0.00 0.61 0.02 0.00 0.00 177.57 179.13 2k5i n GLY 75 N -1.40 -0.80 3.74 2.17 0.00 -1.26 -4.89 105.19 102.75 2k5i n GLY 75 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2k5i n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5i n GLY 76 N -0.03 1.84 3.79 -0.02 0.00 -0.40 -4.95 105.19 105.41 2k5i n GLY 76 Ca 0.07 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 2k5i n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5i s GLU 77 N 0.00 4.51 -0.02 1.61 -1.05 -1.26 -4.65 118.70 117.84 2k5i s GLU 77 Ca 0.00 1.18 -0.06 0.00 -0.15 0.00 0.00 54.97 55.95 2k5i s GLU 77 Cb 0.00 -2.93 0.01 0.00 -0.44 0.00 0.00 34.13 30.77 2k5i s GLU 77 CO 0.00 0.37 0.13 -0.48 0.95 0.00 0.00 175.26 176.23 2k5i s LEU 78 N -1.83 1.56 0.68 1.83 2.34 0.02 -4.91 118.68 118.36 2k5i s LEU 78 Ca 0.45 0.00 -0.16 0.00 0.06 0.00 0.00 54.13 54.49 2k5i s LEU 78 Cb -0.19 0.55 0.01 0.00 -0.56 0.00 0.00 46.19 46.00 2k5i s LEU 78 CO 0.24 -0.22 1.17 -2.16 -1.06 0.00 0.00 176.35 174.32 2k5i s PRO 79 N -0.72 2.54 0.40 1.48 0.04 -1.26 -0.53 135.00 136.96 2k5i s PRO 79 Ca -0.08 1.64 0.18 0.00 0.04 0.00 0.00 61.00 62.78 2k5i s PRO 79 Cb -0.05 -1.89 1.10 0.00 0.04 0.00 0.00 34.50 33.70 2k5i s PRO 79 CO 0.01 -1.50 1.78 -0.07 0.04 0.00 0.00 177.00 177.26 2k5i h LEU 80 N 0.06 0.44 -2.36 -3.56 3.38 -1.06 0.10 115.31 112.31 2k5i h LEU 80 Ca -0.48 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2k5i h LEU 80 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2k5i h LEU 80 CO 0.52 0.10 -0.03 -0.29 0.09 0.00 0.00 178.44 178.83 2k5i h ILE 81 N 0.39 0.52 -0.38 1.22 6.09 -1.87 -1.10 117.51 122.38 2k5i h ILE 81 Ca 0.58 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.94 2k5i h ILE 81 Cb 1.47 1.08 0.00 0.00 0.47 0.00 0.00 36.82 39.84 2k5i h ILE 81 CO -0.28 0.03 0.00 0.18 -3.07 0.00 0.00 178.15 175.01 2k5i n LEU 82 N -3.77 3.44 -4.64 2.19 4.77 0.34 -4.97 117.00 114.36 2k5i n LEU 82 Ca -0.03 -1.50 -0.43 0.00 -0.03 0.00 0.00 56.01 54.03 2k5i n LEU 82 Cb 0.12 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2k5i n LEU 82 CO 0.28 0.74 1.29 0.00 -1.33 0.00 0.00 177.39 178.37 2k5i s ALA 83 N -1.48 3.43 1.00 -1.18 0.00 -0.42 -4.72 121.76 118.40 2k5i s ALA 83 Ca 0.38 0.53 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 2k5i s ALA 83 Cb 0.22 -3.78 0.19 0.00 0.00 0.00 0.00 23.12 19.76 2k5i s ALA 83 CO 0.31 -1.67 1.08 0.34 0.00 0.00 0.00 175.76 175.83 2k5i s ASP 84 N 3.47 2.48 0.07 0.00 2.15 -1.26 -4.93 116.67 118.64 2k5i s ASP 84 Ca 0.67 1.51 -0.30 0.00 0.43 0.00 0.00 52.55 54.86 2k5i s ASP 84 Cb -0.25 -2.18 -0.09 0.00 -0.30 0.00 0.00 42.92 40.09 2k5i s ASP 84 CO 0.26 -3.26 1.82 -0.62 -0.17 0.00 0.00 175.17 173.19 2k5i s ASP 85 N -3.08 6.49 0.00 -0.34 2.15 -1.26 -4.81 116.67 115.82 2k5i s ASP 85 Ca 0.66 2.62 0.00 0.00 0.43 0.00 0.00 52.55 56.26 2k5i s ASP 85 Cb -0.21 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 2k5i s ASP 85 CO 0.59 -0.99 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 2k5i n GLY 86 N 4.27 0.24 3.54 2.66 0.00 -1.26 -4.78 105.19 109.86 2k5i n GLY 86 Ca 0.18 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.15 3.67 0.36 2.61 2.01 -1.26 -1.51 115.64 118.37 2k5i s THR 87 Ca 0.00 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.57 2k5i s THR 87 Cb 0.00 -2.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.92 2k5i s THR 87 CO 0.00 0.56 0.05 -0.31 -0.69 0.00 0.00 174.62 174.23 2k5i s TYR 88 N -0.40 2.10 -0.19 4.92 1.51 0.08 -0.45 117.35 124.93 2k5i s TYR 88 Ca 0.06 -0.90 0.01 0.00 -1.01 0.00 0.00 57.07 55.23 2k5i s TYR 88 Cb -0.12 -1.43 0.03 0.00 -0.11 0.00 0.00 41.96 40.33 2k5i s TYR 88 CO 0.02 0.12 -0.16 -2.00 -1.11 0.00 0.00 175.55 172.42 2k5i s GLU 89 N -3.83 2.56 0.02 -0.62 2.12 0.29 -0.14 118.70 119.10 2k5i s GLU 89 Ca 0.34 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 2k5i s GLU 89 Cb 0.08 -2.48 -0.06 0.00 0.26 0.00 0.00 34.13 31.93 2k5i s GLU 89 CO 0.15 -0.30 1.43 -1.50 -0.54 0.00 0.00 175.26 174.50 2k5i s ILE 90 N 1.33 3.61 0.00 -3.70 2.07 -0.84 -0.33 121.20 123.34 2k5i s ILE 90 Ca 0.02 1.02 0.00 0.00 -1.41 0.00 0.00 60.65 60.28 2k5i s ILE 90 Cb -0.14 -3.65 0.00 0.00 0.13 0.00 0.00 42.46 38.79 2k5i s ILE 90 CO -0.11 0.01 0.00 1.07 -1.91 0.00 0.00 174.94 174.00 2k5i n THR 91 N 4.60 0.00 -3.78 4.00 5.66 -0.40 -0.44 114.28 123.93 2k5i n THR 91 Ca 0.13 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.00 2k5i n THR 91 Cb 0.43 -0.56 -0.15 0.00 -1.55 0.00 0.00 70.33 68.50 2k5i n THR 91 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2k5i s LYS 92 N -1.63 0.06 0.20 1.09 2.20 -1.13 -4.95 119.74 115.58 2k5i s LYS 92 Ca 0.00 0.26 0.09 0.00 -0.36 0.00 0.00 55.97 55.97 2k5i s LYS 92 Cb 0.00 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.13 2k5i s LYS 92 CO 0.00 -0.13 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.26 2k5i s LEU 93 N 0.89 2.98 -0.29 5.43 2.01 -1.26 -0.63 118.68 127.80 2k5i s LEU 93 Ca -0.07 -0.61 0.02 0.00 0.01 0.00 0.00 54.13 53.48 2k5i s LEU 93 Cb -0.09 -1.63 0.08 0.00 0.01 0.00 0.00 46.19 44.56 2k5i s LEU 93 CO -0.04 0.09 -0.00 0.20 1.01 0.00 0.00 176.35 177.60 2k5i s ASN 94 N -2.97 4.35 0.00 2.29 0.02 -0.57 -5.00 114.94 113.05 2k5i s ASN 94 Ca 0.26 -1.66 0.00 0.00 -1.02 0.00 0.00 52.86 50.44 2k5i s ASN 94 Cb -0.08 -1.38 0.00 0.00 0.02 0.00 0.00 41.25 39.81 2k5i s ASN 94 CO 0.16 -0.31 0.00 0.61 0.02 0.00 0.00 177.10 177.58 2k5i n GLY 95 N 4.49 -0.49 0.00 0.66 0.00 -1.26 -4.88 105.19 103.70 2k5i n GLY 95 Ca -0.05 -1.23 0.00 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 -0.81 0.07 0.36 -0.02 0.00 -1.26 -4.81 105.19 98.73 2k5i n GLY 96 Ca 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 2k5i n GLY 96 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k5i h ARG 97 N 0.00 1.25 -0.49 1.61 0.11 -2.02 -1.78 114.38 113.06 2k5i h ARG 97 Ca 0.00 -0.13 -0.05 0.00 0.10 0.00 0.00 59.98 59.90 2k5i h ARG 97 Cb 0.00 -0.25 -0.02 0.00 1.11 0.00 0.00 29.97 30.81 2k5i h ARG 97 CO 0.00 0.89 0.10 -0.09 0.10 0.00 0.00 179.97 180.97 2k5i h ARG 98 N 1.26 0.80 0.02 0.08 9.65 -1.99 -0.31 114.38 123.88 2k5i h ARG 98 Ca 0.32 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 59.03 2k5i h ARG 98 Cb -0.01 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 2k5i h ARG 98 CO -0.06 0.79 -0.23 0.35 2.80 0.00 0.00 179.97 183.62 2k5i h PHE 99 N 0.68 -0.62 -0.17 2.20 3.57 -1.81 -0.37 116.94 120.42 2k5i h PHE 99 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2k5i h PHE 99 Cb 0.36 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2k5i h PHE 99 CO 0.02 -0.32 0.11 -0.07 -2.23 0.00 0.00 178.31 175.82 2k5i h LEU 100 N -0.37 0.20 -0.46 0.59 3.38 -1.19 -1.74 115.31 115.71 2k5i h LEU 100 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k5i h LEU 100 Cb 0.45 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2k5i h LEU 100 CO -0.20 0.15 0.30 0.15 0.09 0.00 0.00 178.44 178.93 2k5i h PHE 101 N 0.22 0.58 -0.34 1.13 3.57 -0.94 -1.37 116.94 119.80 2k5i h PHE 101 Ca 0.06 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.62 2k5i h PHE 101 Cb -0.02 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 2k5i h PHE 101 CO -0.06 0.37 0.07 0.00 -2.23 0.00 0.00 178.31 176.46 2k5i h ARG 102 N 0.62 0.18 -0.98 1.11 3.08 -0.91 -0.58 114.38 116.90 2k5i h ARG 102 Ca 0.17 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.27 2k5i h ARG 102 Cb -0.06 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.88 2k5i h ARG 102 CO -0.04 0.12 0.63 0.52 -1.07 0.00 0.00 179.97 180.14 2k5i h MET 103 N 0.18 1.11 -0.22 0.04 2.86 -0.88 -0.18 114.93 117.84 2k5i h MET 103 Ca 0.16 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 2k5i h MET 103 Cb 0.18 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2k5i h MET 103 CO -0.21 0.74 -0.26 0.87 1.06 0.00 0.00 176.91 179.11 2k5i h LYS 104 N 1.14 0.41 -0.64 1.72 1.57 -0.66 0.28 116.57 120.40 2k5i h LYS 104 Ca 0.42 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2k5i h LYS 104 Cb 0.16 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2k5i h LYS 104 CO -0.16 0.65 0.19 -0.91 -0.57 0.00 0.00 179.45 178.64 2k5i h ASN 105 N 0.36 0.91 0.57 0.86 -0.26 0.50 -2.90 115.58 115.62 2k5i h ASN 105 Ca 0.05 -0.16 -0.23 0.00 -0.56 0.00 0.00 56.30 55.40 2k5i h ASN 105 Cb 0.66 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.68 2k5i h ASN 105 CO 0.05 0.86 -1.03 -0.07 -1.06 0.00 0.00 177.43 176.17 2k5i h LEU 106 N 0.94 0.36 0.00 1.61 -0.00 -0.90 -3.48 115.31 113.84 2k5i h LEU 106 Ca 0.21 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2k5i h LEU 106 Cb 0.28 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 2k5i h LEU 106 CO -0.01 1.18 0.00 0.61 -0.00 0.00 0.00 178.44 180.23 2k5i n GLY 107 N 1.16 0.97 3.45 0.83 0.00 0.65 -4.89 105.19 107.35 2k5i n GLY 107 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 2k5i n GLY 107 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k5i s ILE 108 N -0.62 4.65 0.00 -0.61 -0.00 0.59 -4.84 121.20 120.38 2k5i s ILE 108 Ca 0.00 -1.31 0.00 0.00 -0.00 0.00 0.00 60.65 59.34 2k5i s ILE 108 Cb 0.00 -4.75 0.00 0.00 -0.00 0.00 0.00 42.46 37.71 2k5i s ILE 108 CO 0.00 -1.48 0.00 -0.62 -0.00 0.00 0.00 174.94 172.84 2k5i n GLU 109 N 6.78 0.00 -3.64 0.37 1.02 -1.26 -3.72 120.64 120.19 2k5i n GLU 109 Ca 0.17 0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 57.27 2k5i n GLU 109 Cb 0.48 -0.28 -0.07 0.00 -0.02 0.00 0.00 31.44 31.55 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 -2.27 -0.26 0.00 1.62 1.04 -1.26 -4.93 113.70 107.64 2k5i s SER 110 Ca 0.00 0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.91 2k5i s SER 110 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2k5i s SER 110 CO 0.00 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2k5i n GLY 111 N 1.72 0.40 3.73 7.32 0.00 0.42 -4.98 105.19 113.80 2k5i n GLY 111 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.69 4.55 -0.48 1.61 -0.14 -1.26 -4.81 119.74 118.53 2k5i s LYS 112 Ca 0.00 1.75 -0.24 0.00 -1.36 0.00 0.00 55.97 56.12 2k5i s LYS 112 Cb 0.00 -3.28 0.03 0.00 -1.68 0.00 0.00 37.83 32.90 2k5i s LYS 112 CO 0.00 -0.00 0.86 0.15 -0.76 0.00 0.00 175.35 175.60 2k5i s LYS 113 N -0.13 3.42 -0.18 1.68 3.01 -1.25 -1.98 119.74 124.30 2k5i s LYS 113 Ca 0.51 -0.08 -0.07 0.00 -1.01 0.00 0.00 55.97 55.32 2k5i s LYS 113 Cb -0.30 -3.97 -0.04 0.00 -1.01 0.00 0.00 37.83 32.52 2k5i s LYS 113 CO 0.34 -1.24 0.05 -1.50 0.51 0.00 0.00 175.35 173.51 2k5i s ILE 114 N 3.58 4.62 0.08 2.17 2.07 0.80 -4.26 121.20 130.27 2k5i s ILE 114 Ca 0.32 -0.09 -0.18 0.00 -1.41 0.00 0.00 60.65 59.29 2k5i s ILE 114 Cb -0.12 -3.08 -0.07 0.00 0.13 0.00 0.00 42.46 39.33 2k5i s ILE 114 CO 0.23 0.46 0.56 -1.10 -1.91 0.00 0.00 174.94 173.17 2k5i s GLN 115 N 0.44 4.14 -0.27 3.50 1.11 0.43 -0.74 119.66 128.27 2k5i s GLN 115 Ca 0.02 0.67 -0.10 0.00 0.01 0.00 0.00 55.36 55.96 2k5i s GLN 115 Cb -0.13 -3.17 -0.04 0.00 -1.01 0.00 0.00 33.01 28.66 2k5i s GLN 115 CO 0.01 0.61 0.15 0.08 0.01 0.00 0.00 175.29 176.15 2k5i s VAL 116 N -1.18 4.98 -0.08 1.09 1.01 -0.57 -0.28 120.40 125.37 2k5i s VAL 116 Ca 0.30 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 2k5i s VAL 116 Cb -0.18 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 32.88 2k5i s VAL 116 CO 0.19 0.28 0.12 -0.55 0.00 0.00 0.00 175.10 175.14 2k5i s SER 117 N 1.68 1.08 0.85 3.32 0.15 -1.05 -4.35 113.70 115.39 2k5i s SER 117 Ca 0.07 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2k5i s SER 117 Cb -0.16 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2k5i s SER 117 CO 0.08 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2k5i n GLY 118 N 5.31 0.76 0.40 9.45 0.00 -1.26 -1.90 105.19 117.94 2k5i n GLY 118 Ca -0.04 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.05 -4.05 1.61 1.74 -1.26 -4.89 116.66 109.86 2k5i n ARG 119 Ca 0.00 -0.95 -0.12 0.00 -0.77 0.00 0.00 57.85 56.00 2k5i n ARG 119 Cb 0.00 -0.53 -0.11 0.00 -1.02 0.00 0.00 32.46 30.80 2k5i n ARG 119 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2k5i s ARG 120 N -0.08 0.51 0.24 5.56 3.03 -0.80 -5.03 118.95 122.38 2k5i s ARG 120 Ca 0.01 -0.75 0.04 0.00 2.03 0.00 0.00 55.73 57.06 2k5i s ARG 120 Cb 0.01 -0.24 -0.03 0.00 -1.03 0.00 0.00 34.95 33.65 2k5i s ARG 120 CO 0.00 0.04 0.37 0.71 -1.13 0.00 0.00 175.30 175.29 2k5i s TYR 121 N -1.42 3.46 -0.13 5.89 2.02 -1.26 -2.51 117.35 123.39 2k5i s TYR 121 Ca -0.10 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 2k5i s TYR 121 Cb -0.10 -1.61 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 2k5i s TYR 121 CO 0.00 0.42 -0.11 0.71 -1.57 0.00 0.00 175.55 175.00 2k5i s TYR 122 N -1.99 1.80 -0.47 2.71 1.51 0.62 0.02 117.35 121.54 2k5i s TYR 122 Ca 0.35 -0.95 -0.15 0.00 -1.01 0.00 0.00 57.07 55.30 2k5i s TYR 122 Cb -0.09 -1.39 0.07 0.00 -0.11 0.00 0.00 41.96 40.44 2k5i s TYR 122 CO 0.30 -0.57 0.40 0.42 -1.11 0.00 0.00 175.55 174.98 2k5i s ILE 123 N 1.55 5.22 -1.20 2.71 -1.09 0.70 -0.43 121.20 128.66 2k5i s ILE 123 Ca 0.04 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.38 2k5i s ILE 123 Cb -0.13 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2k5i s ILE 123 CO -0.09 -0.58 0.00 -0.62 -1.23 0.00 0.00 174.94 172.42 2k5i n GLU 124 N 5.20 -1.93 0.00 2.79 1.02 -1.26 -1.25 120.64 125.22 2k5i n GLU 124 Ca -0.12 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 2k5i n GLU 124 Cb 0.44 -5.18 0.00 0.00 -0.02 0.00 0.00 31.44 26.67 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 -0.66 0.60 3.67 0.62 0.00 -1.26 -5.09 105.19 103.06 2k5i n GLY 125 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 4.29 -0.05 1.61 3.52 -0.38 -5.00 118.95 122.94 2k5i s ARG 126 Ca 0.00 0.91 -0.30 0.00 -0.13 0.00 0.00 55.73 56.21 2k5i s ARG 126 Cb 0.00 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 2k5i s ARG 126 CO 0.00 -0.26 1.08 -1.83 -0.81 0.00 0.00 175.30 173.47 2k5i s GLU 127 N 1.94 4.43 0.07 5.12 -1.05 -1.26 -0.21 118.70 127.74 2k5i s GLU 127 Ca 0.36 1.52 -0.25 0.00 -0.15 0.00 0.00 54.97 56.46 2k5i s GLU 127 Cb -0.17 -3.50 -0.06 0.00 -0.44 0.00 0.00 34.13 29.96 2k5i s GLU 127 CO 0.13 -0.29 0.75 0.42 0.95 0.00 0.00 175.26 177.22 2k5i s ILE 128 N 1.73 4.66 -0.84 1.83 -1.09 0.10 -4.96 121.20 122.64 2k5i s ILE 128 Ca 0.52 1.61 -0.20 0.00 -2.23 0.00 0.00 60.65 60.36 2k5i s ILE 128 Cb -0.22 -4.10 0.11 0.00 -1.58 0.00 0.00 42.46 36.67 2k5i s ILE 128 CO 0.23 0.41 1.06 -1.81 -1.23 0.00 0.00 174.94 173.59 2k5i s ASP 129 N -0.32 6.48 0.04 3.58 1.01 -1.26 -4.32 116.67 121.87 2k5i s ASP 129 Ca 0.37 -1.71 0.03 0.00 0.71 0.00 0.00 52.55 51.95 2k5i s ASP 129 Cb -0.21 -2.40 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 2k5i s ASP 129 CO 0.23 -1.18 -0.10 -0.76 0.21 0.00 0.00 175.17 173.58 2k5i s LEU 130 N 3.09 2.20 0.42 1.23 1.43 -1.26 -5.12 118.68 120.67 2k5i s LEU 130 Ca 0.29 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 2k5i s LEU 130 Cb -0.09 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.78 2k5i s LEU 130 CO -0.03 -0.08 0.53 -0.83 0.23 0.00 0.00 176.35 176.17 2k5i s GLY 131 N -1.24 1.99 0.15 -3.19 0.00 -1.26 -4.92 107.32 98.86 2k5i s GLY 131 Ca -0.04 -1.72 -0.25 0.00 0.00 0.00 0.00 44.72 42.71 2k5i s GLY 131 CO 0.01 -1.54 1.60 -1.82 0.00 0.00 0.00 173.10 171.35 2k5i h TYR 132 N 0.72 -0.98 -0.95 1.90 3.20 -2.00 0.72 116.97 119.59 2k5i h TYR 132 Ca -0.40 0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.61 2k5i h TYR 132 Cb 1.28 0.47 -0.07 0.00 1.54 0.00 0.00 36.73 39.95 2k5i h TYR 132 CO 0.43 -0.40 0.61 0.78 -1.64 0.00 0.00 178.16 177.93 2k5i h GLY 133 N -0.33 1.42 0.57 1.82 0.00 -2.01 -2.82 103.07 101.72 2k5i h GLY 133 Ca 0.14 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 2k5i h GLY 133 CO -0.48 0.26 -0.31 0.83 0.00 0.00 0.00 176.54 176.84 2k5i h GLU 134 N 1.02 0.25 -0.72 4.80 5.08 -1.78 -3.34 114.58 119.89 2k5i h GLU 134 Ca 0.43 -0.24 0.15 0.00 -1.00 0.00 0.00 59.36 58.70 2k5i h GLU 134 Cb 0.31 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 2k5i h GLU 134 CO -0.18 0.93 0.48 0.00 -1.00 0.00 0.00 179.01 179.24 2k5i h ALA 135 N 0.33 2.17 0.00 3.43 0.00 -0.63 0.12 119.26 124.68 2k5i h ALA 135 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k5i h ALA 135 Cb 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k5i h ALA 135 CO 0.06 -0.36 0.00 -2.37 0.00 0.00 0.00 179.25 176.58 2k5i n THR 136 N -4.46 0.67 0.78 0.00 5.66 -1.13 -2.42 114.28 113.38 2k5i n THR 136 Ca 0.14 0.17 0.11 0.00 -3.05 0.00 0.00 64.05 61.41 2k5i n THR 136 Cb 0.54 -0.92 0.11 0.00 -1.55 0.00 0.00 70.33 68.50 2k5i n THR 136 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k5i n LYS 137 N -1.33 2.00 -3.51 1.09 4.01 0.03 -4.78 118.16 115.67 2k5i n LYS 137 Ca 0.06 -1.83 -0.42 0.00 -0.51 0.00 0.00 58.31 55.62 2k5i n LYS 137 Cb 0.13 -1.41 -0.09 0.00 -0.51 0.00 0.00 35.03 33.14 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 -1.69 4.70 -0.19 -0.18 1.09 -1.01 -1.52 121.20 122.40 2k5i s ILE 138 Ca 0.26 -1.19 -0.23 0.00 -1.10 0.00 0.00 60.65 58.39 2k5i s ILE 138 Cb 0.18 -3.82 -0.02 0.00 -1.06 0.00 0.00 42.46 37.74 2k5i s ILE 138 CO 0.27 -0.51 0.71 0.26 -0.10 0.00 0.00 174.94 175.57 2k5i s TRP 139 N 1.53 3.39 0.21 3.97 0.52 0.19 -1.12 118.94 127.64 2k5i s TRP 139 Ca 0.03 1.06 0.08 0.00 0.02 0.00 0.00 56.10 57.29 2k5i s TRP 139 Cb -0.23 -2.88 -0.05 0.00 -1.15 0.00 0.00 33.47 29.16 2k5i s TRP 139 CO 0.05 -0.20 -0.15 0.14 0.02 0.00 0.00 176.95 176.81 2k5i s VAL 140 N 2.00 1.80 0.02 4.03 -7.23 0.31 -1.27 120.40 120.05 2k5i s VAL 140 Ca 0.33 -2.23 0.07 0.00 -1.81 0.00 0.00 61.98 58.33 2k5i s VAL 140 Cb -0.16 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2k5i s VAL 140 CO 0.11 -0.58 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.01 2k5i s ARG 141 N -3.63 2.15 -0.37 4.82 0.52 0.56 -0.80 118.95 122.19 2k5i s ARG 141 Ca 0.23 -0.92 -0.28 0.00 -0.52 0.00 0.00 55.73 54.23 2k5i s ARG 141 Cb -0.01 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.25 2k5i s ARG 141 CO 0.08 0.56 1.69 0.50 0.02 0.00 0.00 175.30 178.14 2k5i s ARG 142 N -1.20 3.36 -0.06 3.54 6.06 -1.26 -0.55 118.95 128.83 2k5i s ARG 142 Ca 0.13 1.24 -0.03 0.00 -2.50 0.00 0.00 55.73 54.57 2k5i s ARG 142 Cb -0.10 -4.16 -0.03 0.00 0.06 0.00 0.00 34.95 30.72 2k5i s ARG 142 CO 0.04 -1.83 -0.08 1.33 -2.50 0.00 0.00 175.30 172.26 2k5i n VAL 143 N 7.31 0.36 -2.88 7.11 0.24 -1.05 -4.96 118.33 124.45 2k5i n VAL 143 Ca 0.21 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.34 62.32 2k5i n VAL 143 Cb 0.47 -1.45 0.01 0.00 -1.47 0.00 0.00 33.84 31.41 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 -3.19 -7.82 -0.19 -1.34 2.88 0.40 -4.92 113.62 99.45 2k5i n SER 144 Ca -0.13 0.60 0.11 0.00 -1.33 0.00 0.00 58.87 58.12 2k5i n SER 144 Cb 0.60 -5.15 0.54 0.00 -0.75 0.00 0.00 64.21 59.45 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 -0.16 0.56 -4.62 -3.46 9.92 -1.26 -4.86 116.55 112.67 2k5i n ASP 145 Ca 0.09 -1.46 -0.34 0.00 -0.53 0.00 0.00 54.79 52.55 2k5i n ASP 145 Cb 0.42 -0.03 -0.10 0.00 -0.64 0.00 0.00 41.12 40.77 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 -1.94 3.09 -0.95 2.24 0.00 -1.26 -5.00 121.76 117.93 2k5i s ALA 146 Ca 0.32 -0.91 0.28 0.00 0.00 0.00 0.00 51.96 51.65 2k5i s ALA 146 Cb 0.16 -1.27 1.15 0.00 0.00 0.00 0.00 23.12 23.16 2k5i s ALA 146 CO 0.25 0.59 1.89 0.41 0.00 0.00 0.00 175.76 178.91 2k5i n GLY 147 N 1.96 -1.52 3.69 0.00 0.00 -1.26 -4.88 105.19 103.18 2k5i n GLY 147 Ca -0.17 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2k5i n GLY 147 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5i n GLU 148 N -1.63 2.10 -1.81 1.61 1.02 -1.26 -4.98 120.64 115.68 2k5i n GLU 148 Ca 0.07 0.74 -0.29 0.00 -0.02 0.00 0.00 57.16 57.65 2k5i n GLU 148 Cb 0.35 -2.32 0.09 0.00 -0.02 0.00 0.00 31.44 29.54 2k5i n GLU 148 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k5i s GLU 149 N -1.71 1.92 -0.24 3.49 8.01 -1.26 -4.96 118.70 123.95 2k5i s GLU 149 Ca 0.57 0.21 -0.29 0.00 0.01 0.00 0.00 54.97 55.47 2k5i s GLU 149 Cb -0.58 -1.94 -0.03 0.00 -4.31 0.00 0.00 34.13 27.27 2k5i s GLU 149 CO 0.61 -1.64 1.89 0.45 0.01 0.00 0.00 175.26 176.57 2k5i s SER 150 N -4.42 5.93 -0.19 -0.19 0.15 -1.26 -4.96 113.70 108.77 2k5i s SER 150 Ca 0.62 1.66 -0.20 0.00 0.70 0.00 0.00 55.95 58.73 2k5i s SER 150 Cb -0.12 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 2k5i s SER 150 CO 0.50 -1.61 0.58 -1.00 1.20 0.00 0.00 173.24 172.91 2k5i s HIS 151 N 6.67 3.39 -0.18 3.44 0.09 -1.26 -5.02 115.29 122.41 2k5i s HIS 151 Ca 0.84 0.88 -0.30 0.00 -0.00 0.00 0.00 55.06 56.48 2k5i s HIS 151 Cb -0.28 -2.73 -0.07 0.00 -0.00 0.00 0.00 32.58 29.50 2k5i s HIS 151 CO 0.34 -0.11 2.15 -2.30 -0.00 0.00 0.00 174.74 174.82 2k5i n PRO 152 N 4.80 2.02 -1.97 8.40 -0.02 -1.26 -4.83 135.00 142.14 2k5i n PRO 152 Ca -0.03 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 2k5i n PRO 152 Cb 0.50 -3.06 -0.01 0.00 -0.02 0.00 0.00 33.50 30.91 2k5i n PRO 152 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2k5i s GLN 153 N 5.86 4.25 0.10 -0.52 2.00 -1.26 -4.95 119.66 125.13 2k5i s GLN 153 Ca 0.99 2.37 -0.30 0.00 -2.00 0.00 0.00 55.36 56.43 2k5i s GLN 153 Cb -0.44 -3.04 -0.06 0.00 0.80 0.00 0.00 33.01 30.27 2k5i s GLN 153 CO 0.39 -0.36 0.95 0.21 -0.50 0.00 0.00 175.29 175.98 2k5i s LYS 154 N -1.65 4.68 0.29 1.67 2.47 -1.26 -5.05 119.74 120.88 2k5i s LYS 154 Ca 0.52 1.43 0.04 0.00 -1.56 0.00 0.00 55.97 56.39 2k5i s LYS 154 Cb -0.43 -3.38 -0.04 0.00 -1.46 0.00 0.00 37.83 32.53 2k5i s LYS 154 CO 0.55 0.21 0.20 -0.48 0.16 0.00 0.00 175.35 175.99 2k5i s LEU 155 N 0.02 1.56 0.25 5.43 2.34 -1.26 -5.00 118.68 122.02 2k5i s LEU 155 Ca 0.46 -1.59 -0.01 0.00 0.06 0.00 0.00 54.13 53.05 2k5i s LEU 155 Cb -0.23 0.39 -0.03 0.00 -0.56 0.00 0.00 46.19 45.76 2k5i s LEU 155 CO 0.29 -0.94 0.25 -1.83 -1.06 0.00 0.00 176.35 173.06 2k5i s GLU 156 N -3.77 1.45 -0.45 1.48 -1.05 -1.26 -5.11 118.70 110.00 2k5i s GLU 156 Ca 0.38 -1.67 0.03 0.00 -0.15 0.00 0.00 54.97 53.56 2k5i s GLU 156 Cb 0.04 0.33 0.13 0.00 -0.44 0.00 0.00 34.13 34.19 2k5i s GLU 156 CO 0.20 -0.53 0.21 -1.01 0.95 0.00 0.00 175.26 175.08 2k5i s HIS 157 N -3.86 2.60 -0.15 4.83 3.76 -1.26 -5.10 115.29 116.13 2k5i s HIS 157 Ca 0.36 -2.71 -0.35 0.00 -0.15 0.00 0.00 55.06 52.21 2k5i s HIS 157 Cb 0.04 -2.34 -0.12 0.00 1.11 0.00 0.00 32.58 31.27 2k5i s HIS 157 CO 0.16 -0.79 1.88 1.58 -0.85 0.00 0.00 174.74 176.71 2k5i n HIS 158 N 3.57 2.24 -4.11 1.40 -0.00 -1.26 -4.99 115.22 112.07 2k5i n HIS 158 Ca 0.06 0.11 -0.25 0.00 0.46 0.00 0.00 57.72 58.10 2k5i n HIS 158 Cb 0.35 -2.62 -0.05 0.00 -0.12 0.00 0.00 29.99 27.55 2k5i n HIS 158 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k5i s HIS 159 N 4.21 3.09 -0.15 1.57 3.76 -1.26 -5.12 115.29 121.38 2k5i s HIS 159 Ca 0.95 -0.06 -0.04 0.00 -0.15 0.00 0.00 55.06 55.75 2k5i s HIS 159 Cb -0.77 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 2k5i s HIS 159 CO 0.54 0.52 -0.01 -3.38 -0.85 0.00 0.00 174.74 171.57 2k5i s HIS 160 N -1.89 3.09 0.00 1.40 -3.43 -1.26 -5.10 115.29 108.11 2k5i s HIS 160 Ca 0.31 -0.16 0.04 0.00 -0.80 0.00 0.00 55.06 54.45 2k5i s HIS 160 Cb -0.09 -1.97 -0.01 0.00 -1.43 0.00 0.00 32.58 29.08 2k5i s HIS 160 CO 0.23 0.06 -0.12 -1.58 -2.00 0.00 0.00 174.74 171.34 2k5i s HIS 161 N 0.24 1.06 -2.00 0.38 5.04 -1.26 -5.36 115.29 113.39 2k5i s HIS 161 Ca -0.01 -0.23 0.11 0.00 -1.54 0.00 0.00 55.06 53.39 2k5i s HIS 161 Cb -0.13 -0.67 0.66 0.00 0.04 0.00 0.00 32.58 32.48 2k5i s HIS 161 CO 0.02 -0.01 1.10 1.58 -2.34 0.00 0.00 174.74 175.09