#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5g s THR 2 N 0.00 0.09 0.36 3.17 2.01 -1.26 -5.12 115.64 114.89 2k5g s THR 2 Ca 0.00 -0.72 -0.26 0.00 0.31 0.00 0.00 61.69 61.01 2k5g s THR 2 Cb 0.00 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 2k5g s THR 2 CO 0.00 -0.61 1.11 -0.44 -0.69 0.00 0.00 174.62 173.99 2k5g s SER 3 N 2.03 6.83 1.37 3.53 0.01 -1.26 -5.03 113.70 121.18 2k5g s SER 3 Ca 0.07 2.24 -0.22 0.00 1.31 0.00 0.00 55.95 59.35 2k5g s SER 3 Cb -0.16 -2.61 0.35 0.00 0.21 0.00 0.00 66.02 63.80 2k5g s SER 3 CO -0.29 -0.45 0.98 -2.84 0.41 0.00 0.00 173.24 171.06 2k5g s PRO 4 N -2.08 -2.52 1.14 12.44 0.02 -1.26 -4.21 135.00 138.53 2k5g s PRO 4 Ca 0.53 0.05 -0.18 0.00 0.02 0.00 0.00 61.00 61.42 2k5g s PRO 4 Cb -0.29 -1.43 0.26 0.00 0.02 0.00 0.00 34.50 33.06 2k5g s PRO 4 CO 0.36 -4.59 1.17 -1.12 -0.33 0.00 0.00 177.00 172.49 2k5g s SER 5 N -3.39 1.49 0.00 2.53 0.01 -1.26 -4.36 113.70 108.72 2k5g s SER 5 Ca 0.70 0.53 0.00 0.00 1.31 0.00 0.00 55.95 58.48 2k5g s SER 5 Cb -0.12 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2k5g s SER 5 CO 0.57 -3.76 0.00 -1.20 0.41 0.00 0.00 173.24 169.26 2k5g n SER 6 N -4.50 0.00 -2.10 2.44 7.64 -1.26 -4.87 113.62 110.97 2k5g n SER 6 Ca 0.14 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.95 2k5g n SER 6 Cb 0.59 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2k5g n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k5g n ALA 7 N -2.12 -0.76 -0.71 -0.43 0.00 -1.26 -5.05 120.51 110.18 2k5g n ALA 7 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 53.44 52.32 2k5g n ALA 7 Cb 0.00 0.66 0.19 0.00 0.00 0.00 0.00 19.45 20.29 2k5g n ALA 7 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k5g s PHE 8 N -4.57 1.63 -0.60 0.00 0.08 -1.26 -4.67 117.98 108.59 2k5g s PHE 8 Ca 0.12 1.58 -0.34 0.00 0.12 0.00 0.00 56.93 58.41 2k5g s PHE 8 Cb -0.02 -3.24 -0.15 0.00 -0.57 0.00 0.00 43.02 39.03 2k5g s PHE 8 CO 0.09 -3.05 2.38 -2.30 -0.10 0.00 0.00 175.22 172.24 2k5g n PRO 9 N -4.38 0.56 -2.98 0.24 -0.02 -1.26 -4.52 135.00 122.63 2k5g n PRO 9 Ca 0.09 0.10 -0.07 0.00 -2.02 0.00 0.00 63.50 61.59 2k5g n PRO 9 Cb 0.53 -2.19 0.01 0.00 -0.02 0.00 0.00 33.50 31.83 2k5g n PRO 9 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2k5g n ASP 10 N 10.78 -1.33 0.00 2.55 8.00 -1.26 -4.97 116.55 130.32 2k5g n ASP 10 Ca 0.50 -2.15 0.00 0.00 0.71 0.00 0.00 54.79 53.85 2k5g n ASP 10 Cb 0.18 2.28 0.00 0.00 -0.02 0.00 0.00 41.12 43.56 2k5g n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k5g n GLY 11 N -0.37 0.06 1.11 0.44 0.00 -0.64 -0.79 105.19 105.00 2k5g n GLY 11 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 2k5g n GLY 11 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k5g n HIS 12 N 0.00 0.98 0.83 1.61 8.25 -1.11 -4.70 115.22 121.08 2k5g n HIS 12 Ca 0.00 -1.59 -0.01 0.00 -0.26 0.00 0.00 57.72 55.86 2k5g n HIS 12 Cb 0.00 -0.47 0.02 0.00 1.12 0.00 0.00 29.99 30.67 2k5g n HIS 12 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k5g n GLY 13 N -1.12 1.90 3.50 -1.41 0.00 -0.24 -4.24 105.19 103.58 2k5g n GLY 13 Ca 0.32 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2k5g n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g s ALA 14 N -0.73 3.01 -0.34 4.61 0.00 -1.26 -4.72 121.76 122.32 2k5g s ALA 14 Ca 0.05 -2.18 -0.27 0.00 0.00 0.00 0.00 51.96 49.55 2k5g s ALA 14 Cb 0.04 -4.19 0.01 0.00 0.00 0.00 0.00 23.12 18.98 2k5g s ALA 14 CO 0.01 -3.18 0.99 1.03 0.00 0.00 0.00 175.76 174.61 2k5g s ARG 15 N 4.20 3.96 -0.28 0.00 0.52 -1.26 -4.97 118.95 121.11 2k5g s ARG 15 Ca 0.35 0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 56.20 2k5g s ARG 15 Cb -0.07 -3.77 0.08 0.00 0.52 0.00 0.00 34.95 31.72 2k5g s ARG 15 CO -0.01 -0.91 0.71 -0.48 0.02 0.00 0.00 175.30 174.62 2k5g s LEU 16 N 3.54 -0.91 -0.62 2.53 -0.00 -1.26 -5.12 118.68 116.85 2k5g s LEU 16 Ca 0.41 1.48 -0.20 0.00 -0.00 0.00 0.00 54.13 55.82 2k5g s LEU 16 Cb -0.12 2.38 0.09 0.00 -0.00 0.00 0.00 46.19 48.53 2k5g s LEU 16 CO 0.17 -0.24 0.81 -0.62 -0.00 0.00 0.00 176.35 176.47 2k5g s ASP 17 N 1.46 6.18 -0.23 1.48 2.15 -1.26 -5.01 116.67 121.45 2k5g s ASP 17 Ca -0.09 -1.24 -0.10 0.00 0.43 0.00 0.00 52.55 51.55 2k5g s ASP 17 Cb -0.05 -2.35 -0.05 0.00 -0.30 0.00 0.00 42.92 40.17 2k5g s ASP 17 CO -0.17 -1.24 0.15 0.00 -0.17 0.00 0.00 175.17 173.74 2k5g s ALA 18 N 3.25 3.63 -0.06 3.66 0.00 -1.26 -4.95 121.76 126.03 2k5g s ALA 18 Ca 0.16 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 2k5g s ALA 18 Cb -0.21 -2.27 -0.27 0.00 0.00 0.00 0.00 23.12 20.36 2k5g s ALA 18 CO 0.08 -0.08 0.60 1.96 0.00 0.00 0.00 175.76 178.32 2k5g h GLN 19 N 7.25 0.26 0.00 0.00 4.20 -1.99 -3.47 115.11 121.36 2k5g h GLN 19 Ca -0.39 -0.44 -0.59 0.00 0.06 0.00 0.00 58.65 57.29 2k5g h GLN 19 Cb 1.16 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 29.05 2k5g h GLN 19 CO 0.69 1.12 -0.29 -1.13 -0.67 0.00 0.00 178.83 178.55 2k5g n SER 20 N -3.44 2.82 -4.64 1.46 3.41 -1.26 -4.84 113.62 107.12 2k5g n SER 20 Ca -0.24 -2.93 -0.35 0.00 -0.26 0.00 0.00 58.87 55.08 2k5g n SER 20 Cb 1.05 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.90 2k5g n SER 20 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2k5g s ILE 21 N -2.75 4.99 -0.04 -1.33 -1.09 -0.37 -4.96 121.20 115.64 2k5g s ILE 21 Ca 0.29 0.04 -0.02 0.00 -2.23 0.00 0.00 60.65 58.73 2k5g s ILE 21 Cb -0.02 -3.28 0.03 0.00 -1.58 0.00 0.00 42.46 37.61 2k5g s ILE 21 CO 0.18 0.42 0.08 0.00 -1.23 0.00 0.00 174.94 174.39 2k5g s ARG 22 N 0.62 -0.03 -0.10 2.79 3.03 -1.22 0.64 118.95 124.67 2k5g s ARG 22 Ca 0.05 0.34 -0.02 0.00 2.03 0.00 0.00 55.73 58.13 2k5g s ARG 22 Cb -0.13 -0.34 0.04 0.00 -1.03 0.00 0.00 34.95 33.49 2k5g s ARG 22 CO 0.01 -0.25 0.02 -0.06 -1.13 0.00 0.00 175.30 173.89 2k5g s PHE 23 N 1.67 0.70 -0.36 5.89 0.08 -0.27 -4.93 117.98 120.76 2k5g s PHE 23 Ca -0.02 -0.31 -0.17 0.00 0.12 0.00 0.00 56.93 56.55 2k5g s PHE 23 Cb -0.12 -0.83 -0.00 0.00 -0.57 0.00 0.00 43.02 41.49 2k5g s PHE 23 CO -0.04 -0.40 0.43 -1.21 -0.10 0.00 0.00 175.22 173.91 2k5g s GLU 24 N 1.96 3.49 0.08 0.44 2.02 -1.26 0.05 118.70 125.49 2k5g s GLU 24 Ca 0.04 -0.39 0.09 0.00 0.02 0.00 0.00 54.97 54.72 2k5g s GLU 24 Cb -0.13 -3.84 -0.03 0.00 0.10 0.00 0.00 34.13 30.23 2k5g s GLU 24 CO -0.06 -0.63 -0.23 1.03 0.02 0.00 0.00 175.26 175.39 2k5g s ARG 25 N 2.17 1.39 -0.20 1.61 1.81 0.78 -4.96 118.95 121.54 2k5g s ARG 25 Ca 0.14 -1.13 -0.08 0.00 -1.72 0.00 0.00 55.73 52.94 2k5g s ARG 25 Cb -0.16 -1.65 -0.04 0.00 -0.45 0.00 0.00 34.95 32.65 2k5g s ARG 25 CO 0.13 0.40 0.08 -1.17 -0.68 0.00 0.00 175.30 174.06 2k5g s LEU 26 N -1.62 3.78 0.14 2.53 1.98 -1.26 -0.06 118.68 124.18 2k5g s LEU 26 Ca 0.09 0.03 0.11 0.00 -2.89 0.00 0.00 54.13 51.47 2k5g s LEU 26 Cb -0.10 -1.98 -0.04 0.00 0.66 0.00 0.00 46.19 44.74 2k5g s LEU 26 CO 0.04 0.12 -0.25 -0.76 -1.89 0.00 0.00 176.35 173.60 2k5g s LEU 27 N 0.71 2.40 0.13 -0.68 2.01 0.69 -4.98 118.68 118.96 2k5g s LEU 27 Ca 0.04 -0.75 -0.30 0.00 0.01 0.00 0.00 54.13 53.13 2k5g s LEU 27 Cb -0.13 -1.25 -0.07 0.00 0.01 0.00 0.00 46.19 44.75 2k5g s LEU 27 CO 0.02 0.17 1.11 -2.84 1.01 0.00 0.00 176.35 175.81 2k5g s PRO 28 N -2.20 4.55 0.00 1.29 0.02 -1.26 -1.34 135.00 136.06 2k5g s PRO 28 Ca 0.16 1.69 0.00 0.00 0.02 0.00 0.00 61.00 62.87 2k5g s PRO 28 Cb -0.10 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.11 2k5g s PRO 28 CO 0.07 -0.01 0.00 0.41 -0.33 0.00 0.00 177.00 177.14 2k5g n GLY 29 N 2.42 2.72 0.31 0.52 0.00 -0.90 -4.47 105.19 105.79 2k5g n GLY 29 Ca 0.05 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 2k5g n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k5g h PRO 30 N 0.00 -0.41 0.00 1.61 0.13 -1.77 -1.99 132.00 129.57 2k5g h PRO 30 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2k5g h PRO 30 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2k5g h PRO 30 CO 0.00 -0.28 0.00 1.51 -0.23 0.00 0.00 178.00 179.00 2k5g n ILE 31 N -5.39 0.00 0.04 -3.56 3.06 -1.26 -3.78 119.36 108.46 2k5g n ILE 31 Ca -0.05 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.17 2k5g n ILE 31 Cb 0.30 0.00 0.22 0.00 0.54 0.00 0.00 39.64 40.70 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2k5g h GLU 32 N 0.00 0.42 0.53 9.51 5.08 -1.90 -1.55 114.58 126.66 2k5g h GLU 32 Ca 0.00 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 2k5g h GLU 32 Cb 0.00 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.23 2k5g h GLU 32 CO 0.00 0.66 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.33 2k5g h ARG 33 N 0.37 -0.68 -0.32 2.33 2.43 -1.91 -2.95 114.38 113.65 2k5g h ARG 33 Ca 0.05 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2k5g h ARG 33 Cb 0.68 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 2k5g h ARG 33 CO 0.05 -0.43 0.17 0.28 -1.51 0.00 0.00 179.97 178.53 2k5g h VAL 34 N -0.75 1.10 -0.47 0.20 2.07 -1.75 -1.79 116.25 114.87 2k5g h VAL 34 Ca -0.07 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2k5g h VAL 34 Cb 0.56 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2k5g h VAL 34 CO 0.12 0.11 0.31 -0.25 0.02 0.00 0.00 177.57 177.88 2k5g h TRP 35 N 0.44 0.49 -0.84 1.57 2.91 -1.12 -2.13 115.95 117.27 2k5g h TRP 35 Ca 0.11 0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.28 2k5g h TRP 35 Cb 0.02 -0.16 -0.09 0.00 -0.51 0.00 0.00 29.16 28.42 2k5g h TRP 35 CO 0.00 0.29 0.44 0.00 -1.03 0.00 0.00 178.44 178.14 2k5g h ALA 36 N 1.73 1.24 0.00 2.65 0.00 -1.22 0.25 119.26 123.92 2k5g h ALA 36 Ca 0.19 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2k5g h ALA 36 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k5g h ALA 36 CO -0.05 -0.05 -0.20 -1.49 0.00 0.00 0.00 179.25 177.46 2k5g h TRP 37 N 0.65 0.00 0.05 0.00 6.55 -1.52 0.35 115.95 122.03 2k5g h TRP 37 Ca 0.45 0.00 -0.26 0.00 0.95 0.00 0.00 58.89 60.02 2k5g h TRP 37 Cb 0.59 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.86 2k5g h TRP 37 CO -0.09 0.20 -1.32 -0.07 -1.05 0.00 0.00 178.44 176.11 2k5g h LEU 38 N 0.00 0.17 0.02 -4.49 3.38 -0.66 -3.39 115.31 110.34 2k5g h LEU 38 Ca -0.00 -0.22 -0.32 0.00 0.09 0.00 0.00 57.88 57.43 2k5g h LEU 38 Cb 0.55 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2k5g h LEU 38 CO 0.03 1.18 -1.75 0.00 0.09 0.00 0.00 178.44 177.99 2k5g n ALA 39 N -2.51 0.93 -1.87 1.53 0.00 0.32 -4.88 120.51 114.04 2k5g n ALA 39 Ca -0.09 -0.68 -0.43 0.00 0.00 0.00 0.00 53.44 52.24 2k5g n ALA 39 Cb 1.00 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 2k5g n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k5g s ASP 40 N -7.02 6.16 0.53 0.00 -1.08 0.12 -4.52 116.67 110.87 2k5g s ASP 40 Ca -0.30 1.97 0.30 0.00 -0.52 0.00 0.00 52.55 54.00 2k5g s ASP 40 Cb 0.08 -2.53 1.40 0.00 -1.46 0.00 0.00 42.92 40.42 2k5g s ASP 40 CO 0.60 -1.38 2.02 0.00 0.52 0.00 0.00 175.17 176.92 2k5g h ALA 41 N 11.79 1.10 0.00 3.66 0.00 -1.88 -2.20 119.26 131.73 2k5g h ALA 41 Ca -0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2k5g h ALA 41 Cb 1.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k5g h ALA 41 CO 0.97 0.12 -0.04 0.22 0.00 0.00 0.00 179.25 180.53 2k5g h ASP 42 N 0.00 0.00 0.64 0.00 3.58 -1.92 -3.20 116.42 115.52 2k5g h ASP 42 Ca -0.00 -0.42 -0.13 0.00 0.42 0.00 0.00 57.03 56.90 2k5g h ASP 42 Cb 0.46 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 2k5g h ASP 42 CO 0.01 0.73 -0.61 0.07 -2.88 0.00 0.00 179.24 176.57 2k5g h LYS 43 N -1.00 0.00 0.00 0.28 2.10 -1.94 -2.74 116.57 113.27 2k5g h LYS 43 Ca -0.01 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 2k5g h LYS 43 Cb 0.45 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2k5g h LYS 43 CO -0.00 0.61 -0.10 -0.09 -2.00 0.00 0.00 179.45 177.87 2k5g h ARG 44 N 0.00 0.00 0.00 0.07 2.43 -1.53 -0.59 114.38 114.76 2k5g h ARG 44 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k5g h ARG 44 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2k5g h ARG 44 CO 0.08 0.10 0.00 0.00 -1.51 0.00 0.00 179.97 178.64 2k5g n ALA 45 N -2.23 2.23 0.81 2.80 0.00 -1.03 -0.03 120.51 123.06 2k5g n ALA 45 Ca -0.02 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.40 2k5g n ALA 45 Cb 0.24 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.34 2k5g n ALA 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5g n ARG 46 N -1.27 1.63 0.00 0.00 3.00 -0.23 -4.47 116.66 115.32 2k5g n ARG 46 Ca 0.12 -1.34 0.00 0.00 -0.01 0.00 0.00 57.85 56.62 2k5g n ARG 46 Cb 0.19 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.29 2k5g n ARG 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 2k5g n TRP 47 N 0.61 0.00 0.00 -1.55 4.27 -1.04 -4.71 117.44 115.03 2k5g n TRP 47 Ca 0.10 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.71 2k5g n TRP 47 Cb 0.44 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.39 2k5g n TRP 47 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2k5g n LEU 48 N -0.33 0.00 -3.52 5.67 7.94 0.96 -4.79 117.00 122.94 2k5g n LEU 48 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 2k5g n LEU 48 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 2k5g n LEU 48 CO 0.00 0.00 0.54 0.00 -1.11 0.00 0.00 177.39 176.82 2k5g s ALA 49 N -1.30 -1.80 -0.17 1.96 0.00 0.35 -2.73 121.76 118.07 2k5g s ALA 49 Ca 0.00 1.27 -0.06 0.00 0.00 0.00 0.00 51.96 53.17 2k5g s ALA 49 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2k5g s ALA 49 CO 0.00 -0.42 0.01 0.20 0.00 0.00 0.00 175.76 175.55 2k5g s GLY 50 N -1.45 1.80 0.00 0.00 0.00 0.16 -3.22 107.32 104.61 2k5g s GLY 50 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.85 2k5g s GLY 50 CO 0.04 0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.77 2k5g n GLY 51 N 3.61 0.70 3.74 0.20 0.00 -1.25 -0.52 105.19 111.67 2k5g n GLY 51 Ca -0.17 0.60 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 2k5g n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5g s GLU 52 N 0.00 2.69 0.25 1.61 2.12 -1.26 -4.74 118.70 119.38 2k5g s GLU 52 Ca 0.00 1.84 -0.22 0.00 0.36 0.00 0.00 54.97 56.95 2k5g s GLU 52 Cb 0.00 -1.89 -0.09 0.00 0.26 0.00 0.00 34.13 32.41 2k5g s GLU 52 CO 0.00 -1.43 0.80 -0.51 -0.54 0.00 0.00 175.26 173.59 2k5g s LEU 53 N -4.41 4.35 0.76 2.70 1.43 -1.26 -4.87 118.68 117.39 2k5g s LEU 53 Ca 0.77 1.57 -0.08 0.00 -1.03 0.00 0.00 54.13 55.36 2k5g s LEU 53 Cb -0.31 -3.72 0.09 0.00 0.03 0.00 0.00 46.19 42.28 2k5g s LEU 53 CO 0.37 0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.89 2k5g s PRO 54 N -1.96 1.87 -0.21 1.29 0.05 -1.26 -5.05 135.00 129.73 2k5g s PRO 54 Ca 0.45 -0.30 -0.03 0.00 0.05 0.00 0.00 61.00 61.17 2k5g s PRO 54 Cb -0.18 -2.10 -0.20 0.00 0.05 0.00 0.00 34.50 32.08 2k5g s PRO 54 CO 0.22 -1.50 -0.02 0.54 0.05 0.00 0.00 177.00 176.30 2k5g n ARG 55 N -3.11 0.68 -3.25 4.56 1.74 -1.26 -4.97 116.66 111.05 2k5g n ARG 55 Ca 0.10 0.21 -0.37 0.00 -0.77 0.00 0.00 57.85 57.02 2k5g n ARG 55 Cb 0.60 -1.59 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 2k5g n ARG 55 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2k5g s GLN 56 N -2.53 4.14 0.29 5.56 -0.21 -1.26 -4.87 119.66 120.78 2k5g s GLN 56 Ca -0.31 0.69 -0.29 0.00 0.02 0.00 0.00 55.36 55.47 2k5g s GLN 56 Cb 0.08 -3.01 -0.10 0.00 1.00 0.00 0.00 33.01 30.98 2k5g s GLN 56 CO 0.65 0.50 1.25 -2.14 -2.12 0.00 0.00 175.29 173.43 2k5g s PRO 57 N -1.70 4.44 0.00 2.91 0.02 -1.26 -3.05 135.00 136.36 2k5g s PRO 57 Ca 0.37 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2k5g s PRO 57 Cb -0.17 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.22 2k5g s PRO 57 CO 0.20 -0.09 0.00 0.41 -0.33 0.00 0.00 177.00 177.19 2k5g n GLY 58 N 1.22 2.85 3.78 0.52 0.00 0.36 -5.03 105.19 108.89 2k5g n GLY 58 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2k5g n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5g s GLN 59 N -0.67 3.71 -0.11 1.61 -0.21 -1.17 -4.68 119.66 118.13 2k5g s GLN 59 Ca 0.00 1.54 -0.04 0.00 0.02 0.00 0.00 55.36 56.88 2k5g s GLN 59 Cb 0.00 -2.20 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 2k5g s GLN 59 CO 0.00 -0.54 0.06 0.95 -2.12 0.00 0.00 175.29 173.64 2k5g s THR 60 N -1.78 4.79 0.08 -0.19 -4.23 -1.26 -0.09 115.64 112.96 2k5g s THR 60 Ca 0.67 -0.06 0.09 0.00 -1.18 0.00 0.00 61.69 61.21 2k5g s THR 60 Cb -0.22 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.52 2k5g s THR 60 CO 0.26 0.59 -0.24 0.72 -0.54 0.00 0.00 174.62 175.41 2k5g s PHE 61 N -0.73 2.39 -0.33 3.99 -0.71 -0.19 -4.89 117.98 117.51 2k5g s PHE 61 Ca 0.12 -0.35 -0.12 0.00 -1.04 0.00 0.00 56.93 55.54 2k5g s PHE 61 Cb -0.12 -1.35 -0.02 0.00 -1.21 0.00 0.00 43.02 40.32 2k5g s PHE 61 CO 0.03 0.26 0.22 -1.83 -1.34 0.00 0.00 175.22 172.55 2k5g s GLU 62 N -1.68 3.52 0.17 1.99 1.03 -1.26 -0.45 118.70 122.02 2k5g s GLU 62 Ca 0.14 -0.62 0.05 0.00 0.03 0.00 0.00 54.97 54.57 2k5g s GLU 62 Cb -0.10 -3.74 -0.05 0.00 -0.80 0.00 0.00 34.13 29.44 2k5g s GLU 62 CO 0.05 -0.41 -0.09 -0.48 -1.33 0.00 0.00 175.26 173.00 2k5g s LEU 63 N 1.71 2.48 0.02 1.83 -0.00 -1.24 -4.73 118.68 118.75 2k5g s LEU 63 Ca 0.06 -1.05 0.06 0.00 -0.00 0.00 0.00 54.13 53.19 2k5g s LEU 63 Cb -0.17 -0.38 -0.02 0.00 -0.00 0.00 0.00 46.19 45.62 2k5g s LEU 63 CO 0.10 -0.34 -0.17 -1.38 -0.00 0.00 0.00 176.35 174.56 2k5g s HIS 64 N -3.29 1.46 0.32 3.48 -3.43 0.32 -1.82 115.29 112.33 2k5g s HIS 64 Ca 0.20 -0.33 -0.05 0.00 -0.80 0.00 0.00 55.06 54.07 2k5g s HIS 64 Cb 0.03 -0.89 0.08 0.00 -1.43 0.00 0.00 32.58 30.36 2k5g s HIS 64 CO 0.03 0.03 0.31 1.19 -2.00 0.00 0.00 174.74 174.30 2k5g n PHE 65 N 2.17 -3.39 -1.69 0.38 3.01 0.32 0.36 117.46 118.63 2k5g n PHE 65 Ca -0.16 -0.28 -0.43 0.00 1.01 0.00 0.00 57.45 57.59 2k5g n PHE 65 Cb 0.54 -0.31 -0.01 0.00 -0.01 0.00 0.00 39.48 39.70 2k5g n PHE 65 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2k5g n ASN 66 N -3.46 2.57 -0.11 4.37 5.15 -1.10 -4.54 115.26 118.15 2k5g n ASN 66 Ca 0.04 1.20 -0.13 0.00 -0.60 0.00 0.00 54.58 55.09 2k5g n ASN 66 Cb 0.16 -1.46 -0.14 0.00 -0.53 0.00 0.00 39.78 37.81 2k5g n ASN 66 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2k5g n HIS 67 N 0.29 0.00 0.00 1.20 -0.00 -1.26 -4.16 115.22 111.29 2k5g n HIS 67 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 2k5g n HIS 67 Cb 0.36 -0.95 0.00 0.00 -0.00 0.00 0.00 29.99 29.40 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2k5g n ALA 68 N -2.93 0.00 0.11 1.57 0.00 -1.26 -4.74 120.51 113.25 2k5g n ALA 68 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2k5g n ALA 68 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.51 2k5g n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5g n ALA 69 N 0.00 0.00 -1.00 0.00 0.00 -1.26 -5.06 120.51 113.19 2k5g n ALA 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k5g n ALA 69 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k5g n ALA 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k5g n LEU 70 N -2.97 0.00 0.00 0.00 7.99 -1.26 -5.03 117.00 115.73 2k5g n LEU 70 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2k5g n LEU 70 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2k5g n LEU 70 CO 0.00 -0.61 0.00 0.35 -1.51 0.00 0.00 177.39 175.62 2k5g n THR 71 N -1.66 0.00 -2.00 -5.08 -2.24 -1.26 -4.54 114.28 97.50 2k5g n THR 71 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2k5g n THR 71 Cb 0.00 -0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 67.26 2k5g n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k5g n ALA 72 N -3.00 -0.19 -0.26 6.98 0.00 -1.26 -4.91 120.51 117.88 2k5g n ALA 72 Ca 0.00 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.64 2k5g n ALA 72 Cb 0.00 -1.04 0.40 0.00 0.00 0.00 0.00 19.45 18.81 2k5g n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k5g h GLU 73 N 0.00 0.61 -5.29 0.00 4.81 -1.99 -3.36 114.58 109.36 2k5g h GLU 73 Ca -0.16 -0.04 -0.46 0.00 -0.13 0.00 0.00 59.36 58.58 2k5g h GLU 73 Cb 1.02 -0.14 -0.26 0.00 0.63 0.00 0.00 28.75 30.00 2k5g h GLU 73 CO 0.19 0.41 -0.80 -0.08 -0.73 0.00 0.00 179.01 178.00 2k5g s THR 74 N -5.63 1.10 -0.21 0.32 -1.32 -1.26 -5.15 115.64 103.49 2k5g s THR 74 Ca -0.10 -0.83 -0.31 0.00 -1.21 0.00 0.00 61.69 59.25 2k5g s THR 74 Cb 0.22 -0.97 0.15 0.00 -1.51 0.00 0.00 72.50 70.40 2k5g s THR 74 CO 0.79 0.13 1.17 0.00 -2.21 0.00 0.00 174.62 174.50 2k5g s ALA 75 N -0.63 -2.03 0.88 11.08 0.00 -1.26 -5.06 121.76 124.74 2k5g s ALA 75 Ca 0.03 1.69 -0.11 0.00 0.00 0.00 0.00 51.96 53.57 2k5g s ALA 75 Cb -0.07 -0.86 0.12 0.00 0.00 0.00 0.00 23.12 22.32 2k5g s ALA 75 CO 0.01 -0.35 1.15 -2.14 0.00 0.00 0.00 175.76 174.42 2k5g s PRO 76 N -1.41 1.27 0.38 0.00 0.02 -1.26 -4.64 135.00 129.36 2k5g s PRO 76 Ca 0.05 1.54 0.10 0.00 0.02 0.00 0.00 61.00 62.70 2k5g s PRO 76 Cb -0.01 -1.76 0.87 0.00 0.02 0.00 0.00 34.50 33.62 2k5g s PRO 76 CO -0.04 -2.44 1.92 0.00 -0.33 0.00 0.00 177.00 176.11 2k5g h ALA 77 N -1.62 1.87 0.00 -1.55 0.00 -2.02 0.24 119.26 116.19 2k5g h ALA 77 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k5g h ALA 77 Cb 1.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2k5g h ALA 77 CO 0.43 -0.06 0.00 2.89 0.00 0.00 0.00 179.25 182.52 2k5g n ARG 78 N -4.51 0.23 -0.00 0.00 1.85 -1.26 -2.73 116.66 110.24 2k5g n ARG 78 Ca 0.14 0.07 0.02 0.00 -1.00 0.00 0.00 57.85 57.09 2k5g n ARG 78 Cb 0.40 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.28 2k5g n ARG 78 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2k5g n TYR 79 N -1.36 0.00 0.76 2.89 4.02 0.57 -4.23 117.16 119.82 2k5g n TYR 79 Ca 0.10 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.09 2k5g n TYR 79 Cb 0.22 -0.05 0.46 0.00 -0.02 0.00 0.00 39.34 39.94 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k5g n ALA 80 N -1.36 1.97 0.29 -0.72 0.00 0.35 -2.80 120.51 118.24 2k5g n ALA 80 Ca 0.00 -0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.51 2k5g n ALA 80 Cb 0.10 -1.34 0.85 0.00 0.00 0.00 0.00 19.45 19.07 2k5g n ALA 80 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2k5g h GLN 81 N 0.00 0.00 -0.37 0.00 4.15 -1.71 -1.46 115.11 115.72 2k5g h GLN 81 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k5g h GLN 81 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 2k5g h GLN 81 CO 0.00 0.05 0.00 0.66 -1.93 0.00 0.00 178.83 177.61 2k5g n TYR 82 N -3.70 0.47 -0.33 3.99 4.01 -1.12 -3.80 117.16 116.68 2k5g n TYR 82 Ca -0.02 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 2k5g n TYR 82 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2k5g n TYR 82 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2k5g n ASP 83 N 1.38 0.65 -4.89 7.72 2.03 -0.81 -4.75 116.55 117.89 2k5g n ASP 83 Ca 0.19 -0.99 -0.31 0.00 0.52 0.00 0.00 54.79 54.20 2k5g n ASP 83 Cb 0.58 0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 40.94 2k5g n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5g s ARG 84 N -0.01 3.72 -0.27 -0.67 1.70 -0.62 -4.43 118.95 118.37 2k5g s ARG 84 Ca 0.00 0.11 -0.28 0.00 -0.47 0.00 0.00 55.73 55.09 2k5g s ARG 84 Cb 0.00 -2.72 -0.03 0.00 -0.57 0.00 0.00 34.95 31.62 2k5g s ARG 84 CO 0.00 0.37 1.98 -1.25 -1.08 0.00 0.00 175.30 175.32 2k5g s PRO 85 N -2.81 3.28 -0.14 3.89 0.04 -1.26 -4.68 135.00 133.32 2k5g s PRO 85 Ca 0.45 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 63.21 2k5g s PRO 85 Cb -0.11 -4.27 0.03 0.00 0.04 0.00 0.00 34.50 30.19 2k5g s PRO 85 CO 0.23 -1.93 -0.10 0.42 0.04 0.00 0.00 177.00 175.66 2k5g s ILE 86 N 7.40 1.30 -0.13 0.56 1.01 -1.26 -5.00 121.20 125.07 2k5g s ILE 86 Ca 0.89 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 61.04 2k5g s ILE 86 Cb -0.27 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 40.91 2k5g s ILE 86 CO 0.34 0.36 -0.22 0.54 0.00 0.00 0.00 174.94 175.96 2k5g s VAL 87 N 1.59 2.01 -0.21 2.92 0.11 -1.26 -0.52 120.40 125.02 2k5g s VAL 87 Ca 0.04 -0.96 -0.15 0.00 -2.93 0.00 0.00 61.98 57.99 2k5g s VAL 87 Cb -0.13 -1.77 0.06 0.00 -1.53 0.00 0.00 36.38 33.01 2k5g s VAL 87 CO -0.09 0.54 0.54 0.00 -3.33 0.00 0.00 175.10 172.76 2k5g s ALA 88 N 0.73 -1.40 0.52 1.54 0.00 -0.76 -4.99 121.76 117.40 2k5g s ALA 88 Ca -0.09 1.80 -0.21 0.00 0.00 0.00 0.00 51.96 53.45 2k5g s ALA 88 Cb -0.16 -1.06 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 2k5g s ALA 88 CO 0.00 -0.30 1.22 -0.98 0.00 0.00 0.00 175.76 175.71 2k5g s ARG 89 N 1.07 3.38 0.03 0.00 1.70 -1.26 -3.65 118.95 120.22 2k5g s ARG 89 Ca -0.06 1.88 0.01 0.00 -0.47 0.00 0.00 55.73 57.09 2k5g s ARG 89 Cb -0.06 -2.22 -0.02 0.00 -0.57 0.00 0.00 34.95 32.09 2k5g s ARG 89 CO -0.10 -0.89 -0.05 -1.01 -1.08 0.00 0.00 175.30 172.16 2k5g s HIS 90 N -1.52 0.48 0.06 5.89 3.76 0.40 -4.92 115.29 119.44 2k5g s HIS 90 Ca 0.70 -0.42 -0.30 0.00 -0.15 0.00 0.00 55.06 54.89 2k5g s HIS 90 Cb -0.31 -0.30 -0.05 0.00 1.11 0.00 0.00 32.58 33.03 2k5g s HIS 90 CO 0.37 -0.10 0.99 0.99 -0.85 0.00 0.00 174.74 176.14 2k5g s THR 91 N -1.14 4.61 -0.20 1.30 2.01 -1.26 -1.02 115.64 119.94 2k5g s THR 91 Ca -0.09 2.01 -0.27 0.00 0.31 0.00 0.00 61.69 63.65 2k5g s THR 91 Cb -0.08 -4.29 -0.00 0.00 0.01 0.00 0.00 72.50 68.14 2k5g s THR 91 CO -0.00 0.24 0.93 -0.22 -0.69 0.00 0.00 174.62 174.87 2k5g s LEU 92 N 0.48 4.14 -0.01 4.42 2.96 0.88 -1.98 118.68 129.56 2k5g s LEU 92 Ca 0.50 1.27 -0.01 0.00 -0.22 0.00 0.00 54.13 55.66 2k5g s LEU 92 Cb -0.23 -3.38 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 2k5g s LEU 92 CO 0.29 -0.53 0.19 0.25 -1.32 0.00 0.00 176.35 175.24 2k5g h LEU 93 N 8.85 -0.04 -7.83 -0.68 7.12 -1.19 0.10 115.31 121.65 2k5g h LEU 93 Ca -0.25 0.00 0.08 0.00 0.13 0.00 0.00 57.88 57.85 2k5g h LEU 93 Cb 1.10 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 41.18 2k5g h LEU 93 CO 0.90 0.05 0.28 0.00 -0.13 0.00 0.00 178.44 179.54 2k5g s ARG 94 N -1.53 1.61 -0.28 1.25 1.04 -1.13 -4.11 118.95 115.81 2k5g s ARG 94 Ca -0.01 -0.87 -0.23 0.00 -1.04 0.00 0.00 55.73 53.58 2k5g s ARG 94 Cb 0.00 0.56 0.11 0.00 -2.04 0.00 0.00 34.95 33.58 2k5g s ARG 94 CO 0.02 -0.74 0.90 0.00 -0.04 0.00 0.00 175.30 175.45 2k5g s GLU 96 N 0.51 1.43 0.18 0.00 -1.05 0.11 -4.98 118.70 114.90 2k5g s GLU 96 Ca -0.00 -2.22 -0.30 0.00 -0.15 0.00 0.00 54.97 52.30 2k5g s GLU 96 Cb -0.05 -2.42 -0.08 0.00 -0.44 0.00 0.00 34.13 31.14 2k5g s GLU 96 CO -0.06 -1.20 1.31 -2.14 0.95 0.00 0.00 175.26 174.12 2k5g s PRO 97 N 0.06 4.39 -0.42 -4.83 0.02 -1.26 -0.91 135.00 132.05 2k5g s PRO 97 Ca 0.20 2.03 -0.13 0.00 0.02 0.00 0.00 61.00 63.13 2k5g s PRO 97 Cb -0.19 -3.21 0.05 0.00 0.02 0.00 0.00 34.50 31.17 2k5g s PRO 97 CO -0.04 -0.27 0.29 -1.25 -0.33 0.00 0.00 177.00 175.40 2k5g s PRO 98 N 0.09 2.84 0.35 5.54 0.04 -1.26 -5.03 135.00 137.57 2k5g s PRO 98 Ca 0.58 -1.22 0.00 0.00 0.04 0.00 0.00 61.00 60.39 2k5g s PRO 98 Cb -0.36 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2k5g s PRO 98 CO 0.37 -0.85 0.00 -2.13 0.04 0.00 0.00 177.00 174.42 2k5g n ARG 99 N 5.07 0.00 -3.81 4.56 3.00 -0.09 -4.89 116.66 120.50 2k5g n ARG 99 Ca -0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.61 2k5g n ARG 99 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.79 2k5g n ARG 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2k5g s VAL 100 N -1.70 0.02 0.03 5.15 0.11 -1.17 -1.92 120.40 120.91 2k5g s VAL 100 Ca 0.00 -0.14 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 2k5g s VAL 100 Cb 0.00 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 2k5g s VAL 100 CO 0.00 -0.07 -0.03 -1.48 -3.33 0.00 0.00 175.10 170.18 2k5g s LEU 101 N -0.20 2.30 -0.03 2.54 0.05 -0.33 0.09 118.68 123.10 2k5g s LEU 101 Ca -0.03 -0.62 -0.09 0.00 0.05 0.00 0.00 54.13 53.45 2k5g s LEU 101 Cb -0.03 0.12 0.01 0.00 -2.05 0.00 0.00 46.19 44.25 2k5g s LEU 101 CO 0.01 -0.37 0.20 0.00 -0.55 0.00 0.00 176.35 175.63 2k5g s ALA 102 N -2.03 -0.48 0.37 1.48 0.00 0.25 -0.33 121.76 121.03 2k5g s ALA 102 Ca -0.11 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.92 2k5g s ALA 102 Cb -0.06 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.07 2k5g s ALA 102 CO -0.03 -0.19 0.71 1.47 0.00 0.00 0.00 175.76 177.72 2k5g n LEU 103 N 1.88 0.00 -4.57 0.00 -0.00 -0.23 -0.68 117.00 113.40 2k5g n LEU 103 Ca -0.19 -2.55 -0.30 0.00 -0.00 0.00 0.00 56.01 52.97 2k5g n LEU 103 Cb 0.57 3.46 -0.10 0.00 -0.00 0.00 0.00 43.42 47.34 2k5g n LEU 103 CO 0.21 -0.79 -0.43 0.42 -0.00 0.00 0.00 177.39 176.80 2k5g s THR 104 N -2.27 3.33 -0.20 1.47 -4.23 -0.84 0.10 115.64 113.00 2k5g s THR 104 Ca 0.18 -1.30 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 2k5g s THR 104 Cb -0.04 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.30 2k5g s THR 104 CO 0.13 0.11 -0.00 0.86 -0.54 0.00 0.00 174.62 175.17 2k5g s TRP 105 N -1.22 1.56 0.00 3.99 -0.11 0.21 -4.66 118.94 118.71 2k5g s TRP 105 Ca 0.21 -1.17 0.00 0.00 1.22 0.00 0.00 56.10 56.36 2k5g s TRP 105 Cb -0.11 -1.24 0.00 0.00 -1.50 0.00 0.00 33.47 30.62 2k5g s TRP 105 CO 0.14 -0.66 0.00 0.41 -4.62 0.00 0.00 176.95 172.21 2k5g n GLY 106 N 4.90 -1.62 3.87 5.86 0.00 -1.26 -3.39 105.19 113.54 2k5g n GLY 106 Ca -0.10 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 2k5g n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5g s GLY 107 N 0.00 1.77 -0.17 -0.02 0.00 -1.26 -2.36 107.32 105.28 2k5g s GLY 107 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 44.72 44.54 2k5g s GLY 107 CO 0.00 0.15 0.40 -0.32 0.00 0.00 0.00 173.10 173.34 2k5g s GLY 108 N -3.77 -0.32 -0.18 0.20 0.00 -1.26 -4.83 107.32 97.15 2k5g s GLY 108 Ca 0.54 1.49 -0.21 0.00 0.00 0.00 0.00 44.72 46.54 2k5g s GLY 108 CO 0.44 1.89 0.35 0.00 0.00 0.00 0.00 173.10 175.79 2k5g h ALA 109 N 7.47 0.22 -2.35 3.20 0.00 -1.97 -3.40 119.26 122.43 2k5g h ALA 109 Ca -0.30 -1.09 -0.50 0.00 0.00 0.00 0.00 54.91 53.02 2k5g h ALA 109 Cb 1.16 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 2k5g h ALA 109 CO 0.24 0.64 0.11 0.20 0.00 0.00 0.00 179.25 180.44 2k5g s GLY 110 N -4.81 2.40 0.00 0.00 0.00 -1.26 -4.90 107.32 98.75 2k5g s GLY 110 Ca -0.26 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2k5g s GLY 110 CO 0.64 0.32 0.00 1.18 0.00 0.00 0.00 173.10 175.24 2k5g n GLU 111 N -0.14 0.00 -4.92 2.90 -0.58 -1.26 -4.82 120.64 111.82 2k5g n GLU 111 Ca 0.02 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.46 2k5g n GLU 111 Cb 0.53 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.25 2k5g n GLU 111 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k5g s ALA 112 N -1.83 2.32 0.26 0.62 0.00 -1.26 -4.87 121.76 117.00 2k5g s ALA 112 Ca 0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 51.96 50.44 2k5g s ALA 112 Cb 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 2k5g s ALA 112 CO 0.00 0.54 1.47 -2.14 0.00 0.00 0.00 175.76 175.63 2k5g s PRO 113 N -1.17 4.24 0.74 0.00 0.02 -1.26 -4.78 135.00 132.79 2k5g s PRO 113 Ca 0.12 2.36 -0.12 0.00 0.02 0.00 0.00 61.00 63.38 2k5g s PRO 113 Cb -0.10 -3.09 0.04 0.00 0.02 0.00 0.00 34.50 31.37 2k5g s PRO 113 CO 0.02 -0.46 1.11 -1.12 -0.33 0.00 0.00 177.00 176.22 2k5g s SER 114 N 0.34 4.59 0.12 2.53 0.01 -0.99 -4.85 113.70 115.44 2k5g s SER 114 Ca 0.59 1.94 0.07 0.00 1.31 0.00 0.00 55.95 59.86 2k5g s SER 114 Cb -0.43 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.23 2k5g s SER 114 CO 0.45 -1.98 -0.17 -0.70 0.41 0.00 0.00 173.24 171.25 2k5g s GLU 115 N -4.55 1.07 -0.05 12.44 2.12 0.43 0.67 118.70 130.82 2k5g s GLU 115 Ca 0.64 -1.21 0.02 0.00 0.36 0.00 0.00 54.97 54.79 2k5g s GLU 115 Cb -0.19 -1.12 0.01 0.00 0.26 0.00 0.00 34.13 33.09 2k5g s GLU 115 CO 0.50 0.24 -0.10 0.08 -0.54 0.00 0.00 175.26 175.44 2k5g s VAL 116 N -1.70 0.94 -0.20 3.70 1.01 0.28 0.16 120.40 124.59 2k5g s VAL 116 Ca 0.08 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2k5g s VAL 116 Cb -0.07 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2k5g s VAL 116 CO 0.04 0.31 -0.06 -0.76 0.00 0.00 0.00 175.10 174.62 2k5g s LEU 117 N 0.63 2.84 -0.31 3.92 2.01 0.25 -1.07 118.68 126.95 2k5g s LEU 117 Ca -0.12 -0.38 -0.11 0.00 0.01 0.00 0.00 54.13 53.53 2k5g s LEU 117 Cb -0.14 -1.71 -0.02 0.00 0.01 0.00 0.00 46.19 44.33 2k5g s LEU 117 CO 0.02 0.02 0.18 -0.36 1.01 0.00 0.00 176.35 177.22 2k5g s PHE 118 N 1.25 3.19 -0.22 0.29 0.08 0.55 -0.99 117.98 122.13 2k5g s PHE 118 Ca 0.03 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.73 2k5g s PHE 118 Cb -0.14 -2.39 0.06 0.00 -0.57 0.00 0.00 43.02 39.98 2k5g s PHE 118 CO -0.02 -0.38 -0.05 -1.21 -0.10 0.00 0.00 175.22 173.45 2k5g s GLU 119 N 1.67 1.59 -0.18 0.44 2.02 -1.11 -1.18 118.70 121.95 2k5g s GLU 119 Ca 0.05 -0.91 -0.12 0.00 0.02 0.00 0.00 54.97 54.01 2k5g s GLU 119 Cb -0.17 -2.51 -0.05 0.00 0.10 0.00 0.00 34.13 31.51 2k5g s GLU 119 CO 0.08 -0.58 0.23 -0.51 0.02 0.00 0.00 175.26 174.51 2k5g s LEU 120 N 1.44 4.22 -0.07 1.80 1.43 -0.81 -1.65 118.68 125.05 2k5g s LEU 120 Ca -0.05 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 2k5g s LEU 120 Cb -0.18 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 2k5g s LEU 120 CO -0.07 0.12 -0.10 -0.44 0.23 0.00 0.00 176.35 176.09 2k5g s SER 121 N 0.49 4.35 -0.09 2.29 0.01 0.41 -4.80 113.70 116.37 2k5g s SER 121 Ca 0.13 -0.11 -0.10 0.00 1.31 0.00 0.00 55.95 57.18 2k5g s SER 121 Cb -0.12 -1.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.99 2k5g s SER 121 CO 0.02 0.34 0.22 -1.83 0.41 0.00 0.00 173.24 172.41 2k5g s GLU 122 N -0.69 3.62 0.00 12.44 -1.05 -1.26 -0.13 118.70 131.63 2k5g s GLU 122 Ca 0.10 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.96 2k5g s GLU 122 Cb -0.11 -3.21 0.00 0.00 -0.44 0.00 0.00 34.13 30.37 2k5g s GLU 122 CO 0.01 0.73 0.00 0.00 0.95 0.00 0.00 175.26 176.95 2k5g n ALA 123 N 2.02 0.00 0.01 -0.84 0.00 0.93 -4.90 120.51 117.73 2k5g n ALA 123 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 2k5g n ALA 123 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 2k5g n ALA 123 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k5g h GLY 124 N 0.00 -0.87 -0.49 0.00 0.00 -1.97 -3.36 103.07 96.38 2k5g h GLY 124 Ca 0.00 0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 2k5g h GLY 124 CO 0.00 -0.33 -0.24 1.18 0.00 0.00 0.00 176.54 177.16 2k5g n GLU 125 N -2.41 0.73 -4.23 4.80 1.02 -1.26 -4.83 120.64 114.46 2k5g n GLU 125 Ca -0.00 -1.93 -0.14 0.00 -0.02 0.00 0.00 57.16 55.07 2k5g n GLU 125 Cb 0.01 -1.06 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 2k5g n GLU 125 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2k5g s GLN 126 N -1.64 1.34 -0.01 3.49 -2.07 -1.21 -2.12 119.66 117.43 2k5g s GLN 126 Ca 0.19 -1.72 0.02 0.00 -1.82 0.00 0.00 55.36 52.02 2k5g s GLN 126 Cb 0.17 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 2k5g s GLN 126 CO 0.01 -0.44 -0.06 0.54 -1.32 0.00 0.00 175.29 174.02 2k5g s VAL 127 N -3.98 0.55 -0.30 3.63 0.11 -0.45 -0.05 120.40 119.92 2k5g s VAL 127 Ca 0.39 -0.26 -0.09 0.00 -2.93 0.00 0.00 61.98 59.09 2k5g s VAL 127 Cb 0.06 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.41 2k5g s VAL 127 CO 0.15 0.18 0.14 -0.60 -3.33 0.00 0.00 175.10 171.64 2k5g s ARG 128 N 0.10 3.33 -0.20 1.54 3.52 0.81 -0.22 118.95 127.83 2k5g s ARG 128 Ca -0.01 -0.72 -0.09 0.00 -0.13 0.00 0.00 55.73 54.78 2k5g s ARG 128 Cb -0.06 -3.53 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 2k5g s ARG 128 CO -0.00 -0.40 0.12 -1.17 -0.81 0.00 0.00 175.30 173.03 2k5g s LEU 129 N 1.60 4.11 -0.28 -0.88 0.20 0.92 -0.44 118.68 123.90 2k5g s LEU 129 Ca 0.04 0.18 -0.07 0.00 0.69 0.00 0.00 54.13 54.97 2k5g s LEU 129 Cb -0.17 -2.06 -0.01 0.00 -0.43 0.00 0.00 46.19 43.52 2k5g s LEU 129 CO 0.06 0.16 0.08 -0.69 -0.29 0.00 0.00 176.35 175.67 2k5g s VAL 130 N 0.47 4.13 -0.41 1.68 1.01 -0.66 -0.16 120.40 126.47 2k5g s VAL 130 Ca 0.07 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 2k5g s VAL 130 Cb -0.12 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.24 2k5g s VAL 130 CO -0.01 0.19 0.80 -0.22 0.00 0.00 0.00 175.10 175.87 2k5g s LEU 131 N 1.55 4.16 -0.38 3.92 1.98 0.11 -2.74 118.68 127.28 2k5g s LEU 131 Ca 0.04 0.16 -0.02 0.00 -2.89 0.00 0.00 54.13 51.42 2k5g s LEU 131 Cb -0.16 -3.03 0.09 0.00 0.66 0.00 0.00 46.19 43.76 2k5g s LEU 131 CO 0.03 -0.84 0.14 -0.89 -1.89 0.00 0.00 176.35 172.91 2k5g s THR 132 N 3.25 3.16 -0.40 3.68 2.01 -0.16 -1.12 115.64 126.06 2k5g s THR 132 Ca 0.32 -1.91 -0.13 0.00 0.31 0.00 0.00 61.69 60.28 2k5g s THR 132 Cb -0.12 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.32 2k5g s THR 132 CO 0.20 -0.54 0.27 -2.28 -0.69 0.00 0.00 174.62 171.58 2k5g s HIS 133 N 1.15 3.25 0.53 4.92 5.04 0.21 0.85 115.29 131.25 2k5g s HIS 133 Ca 0.05 -0.82 0.07 0.00 -1.54 0.00 0.00 55.06 52.82 2k5g s HIS 133 Cb -0.22 -2.60 0.04 0.00 0.04 0.00 0.00 32.58 29.85 2k5g s HIS 133 CO -0.04 -0.65 0.49 0.95 -2.34 0.00 0.00 174.74 173.16 2k5g s THR 134 N 1.61 1.91 -1.58 0.89 -4.23 0.12 -1.23 115.64 113.14 2k5g s THR 134 Ca 0.04 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 2k5g s THR 134 Cb -0.20 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2k5g s THR 134 CO 0.08 0.00 0.00 0.54 -0.54 0.00 0.00 174.62 174.70 2k5g n ARG 135 N -1.85 -1.37 -2.30 3.99 1.74 -1.26 -0.43 116.66 115.17 2k5g n ARG 135 Ca 0.03 0.90 -0.36 0.00 -0.77 0.00 0.00 57.85 57.66 2k5g n ARG 135 Cb 0.63 -5.34 -0.01 0.00 -1.02 0.00 0.00 32.46 26.72 2k5g n ARG 135 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k5g s LEU 136 N -4.87 3.88 -0.04 0.55 1.43 -1.26 -3.61 118.68 114.75 2k5g s LEU 136 Ca 0.00 2.19 -0.11 0.00 -1.03 0.00 0.00 54.13 55.19 2k5g s LEU 136 Cb 0.00 -4.43 -0.06 0.00 0.03 0.00 0.00 46.19 41.73 2k5g s LEU 136 CO 0.00 -1.03 0.50 0.00 0.23 0.00 0.00 176.35 176.06 2k5g h ALA 137 N 1.62 -0.45 -2.29 4.21 0.00 -1.92 -3.50 119.26 116.92 2k5g h ALA 137 Ca -0.50 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2k5g h ALA 137 Cb 1.25 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2k5g h ALA 137 CO 0.59 -0.42 0.00 -0.40 0.00 0.00 0.00 179.25 179.02 2k5g n ASP 138 N -4.53 0.00 -0.24 0.00 5.75 -1.26 -4.98 116.55 111.29 2k5g n ASP 138 Ca -0.05 -0.58 0.10 0.00 -0.01 0.00 0.00 54.79 54.25 2k5g n ASP 138 Cb 0.15 0.00 0.36 0.00 -1.03 0.00 0.00 41.12 40.60 2k5g n ASP 138 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2k5g h ARG 139 N 0.00 0.71 0.00 0.11 2.43 -1.97 0.12 114.38 115.78 2k5g h ARG 139 Ca 0.00 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2k5g h ARG 139 Cb 0.00 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2k5g h ARG 139 CO 0.00 0.47 -0.16 0.00 -1.51 0.00 0.00 179.97 178.77 2k5g h ALA 140 N 1.59 1.27 -0.19 2.80 0.00 -1.95 -1.25 119.26 121.53 2k5g h ALA 140 Ca 0.40 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2k5g h ALA 140 Cb 0.54 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k5g h ALA 140 CO -0.17 0.20 -0.19 0.00 0.00 0.00 0.00 179.25 179.09 2k5g h ALA 141 N 1.84 0.28 -0.72 0.00 0.00 -1.15 0.30 119.26 119.80 2k5g h ALA 141 Ca -0.00 -0.35 0.10 0.00 0.00 0.00 0.00 54.91 54.66 2k5g h ALA 141 Cb 0.42 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2k5g h ALA 141 CO 0.02 0.20 0.47 0.52 0.00 0.00 0.00 179.25 180.46 2k5g h MET 142 N 0.12 0.59 0.00 0.00 2.07 -1.11 0.26 114.93 116.86 2k5g h MET 142 Ca 0.03 -0.04 -0.10 0.00 -2.07 0.00 0.00 59.70 57.52 2k5g h MET 142 Cb 0.73 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 30.32 2k5g h MET 142 CO 0.05 0.39 -0.49 -0.07 1.07 0.00 0.00 176.91 177.86 2k5g h LEU 143 N 0.60 0.00 -0.29 1.22 3.38 -0.77 0.15 115.31 119.61 2k5g h LEU 143 Ca 0.33 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 2k5g h LEU 143 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2k5g h LEU 143 CO -0.11 0.49 -0.17 -0.78 0.09 0.00 0.00 178.44 177.95 2k5g h ASP 144 N 0.00 0.65 1.30 -0.43 3.58 0.30 -3.09 116.42 118.73 2k5g h ASP 144 Ca -0.00 -0.42 -0.10 0.00 0.42 0.00 0.00 57.03 56.92 2k5g h ASP 144 Cb 0.96 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 2k5g h ASP 144 CO 0.06 0.93 -0.72 -0.37 -2.88 0.00 0.00 179.24 176.26 2k5g h VAL 145 N 0.37 0.62 -1.03 2.25 -1.51 -1.16 -3.31 116.25 112.47 2k5g h VAL 145 Ca 0.06 -1.95 0.26 0.00 -1.23 0.00 0.00 66.70 63.84 2k5g h VAL 145 Cb 0.70 2.21 -0.11 0.00 -2.13 0.00 0.00 31.29 31.97 2k5g h VAL 145 CO 0.05 0.35 0.64 0.00 -1.23 0.00 0.00 177.57 177.38 2k5g h ALA 146 N 1.57 2.04 -0.84 5.19 0.00 -0.60 0.15 119.26 126.76 2k5g h ALA 146 Ca -0.04 0.09 -0.60 0.00 0.00 0.00 0.00 54.91 54.35 2k5g h ALA 146 Cb 1.37 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 2k5g h ALA 146 CO 0.05 -0.47 1.87 0.20 0.00 0.00 0.00 179.25 180.90 2k5g s GLY 147 N -3.91 1.31 0.00 0.00 0.00 -1.23 -4.16 107.32 99.33 2k5g s GLY 147 Ca -0.10 -2.65 0.00 0.00 0.00 0.00 0.00 44.72 41.98 2k5g s GLY 147 CO 0.80 2.87 0.00 0.61 0.00 0.00 0.00 173.10 177.38 2k5g n GLY 148 N 5.76 3.35 0.19 0.20 0.00 -1.20 -4.94 105.19 108.56 2k5g n GLY 148 Ca 0.45 -1.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 2k5g n GLY 148 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2k5g h TRP 149 N 0.00 -0.44 -0.69 1.61 2.91 -0.87 -1.25 115.95 117.23 2k5g h TRP 149 Ca 0.00 -0.01 0.14 0.00 1.13 0.00 0.00 58.89 60.15 2k5g h TRP 149 Cb 0.00 0.15 -0.10 0.00 -0.51 0.00 0.00 29.16 28.70 2k5g h TRP 149 CO 0.00 -0.27 0.17 1.25 -1.03 0.00 0.00 178.44 178.56 2k5g h HIS 150 N -0.56 0.28 -0.76 2.65 2.76 -1.71 -0.49 115.15 117.31 2k5g h HIS 150 Ca -0.05 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2k5g h HIS 150 Cb 0.36 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.26 2k5g h HIS 150 CO 0.10 -0.04 0.50 0.00 -1.30 0.00 0.00 177.93 177.19 2k5g h ALA 151 N 1.55 1.67 0.00 5.26 0.00 -1.73 -1.19 119.26 124.81 2k5g h ALA 151 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2k5g h ALA 151 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k5g h ALA 151 CO -0.45 0.21 0.00 1.12 0.00 0.00 0.00 179.25 180.13 2k5g h HIS 152 N 0.81 0.00 0.00 0.00 2.07 0.17 -0.95 115.15 117.25 2k5g h HIS 152 Ca 0.33 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.82 2k5g h HIS 152 Cb 0.25 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.23 2k5g h HIS 152 CO -0.00 0.00 -0.16 -0.07 -3.07 0.00 0.00 177.93 174.63 2k5g h LEU 153 N 0.00 0.00 0.18 6.12 3.38 -1.20 0.00 115.31 123.79 2k5g h LEU 153 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2k5g h LEU 153 Cb 0.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2k5g h LEU 153 CO 0.00 0.16 -1.47 0.00 0.09 0.00 0.00 178.44 177.22 2k5g h ALA 154 N 1.84 0.06 -0.25 1.53 0.00 -1.30 -3.28 119.26 117.87 2k5g h ALA 154 Ca -0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 54.91 53.88 2k5g h ALA 154 Cb 0.35 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k5g h ALA 154 CO 0.02 0.93 -0.10 0.28 0.00 0.00 0.00 179.25 180.37 2k5g h VAL 155 N 0.10 1.20 0.08 0.00 2.07 -1.32 -1.31 116.25 117.07 2k5g h VAL 155 Ca -0.23 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.43 2k5g h VAL 155 Cb 2.07 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 2k5g h VAL 155 CO 0.22 0.29 -0.35 -0.07 0.02 0.00 0.00 177.57 177.68 2k5g h LEU 156 N 0.37 -1.02 -0.88 2.57 3.38 -1.08 0.14 115.31 118.80 2k5g h LEU 156 Ca 0.07 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2k5g h LEU 156 Cb 0.42 0.39 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2k5g h LEU 156 CO 0.02 -0.42 0.55 0.00 0.09 0.00 0.00 178.44 178.68 2k5g h ALA 157 N 0.09 1.12 0.21 1.53 0.00 -1.52 0.15 119.26 120.83 2k5g h ALA 157 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k5g h ALA 157 Cb 0.60 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2k5g h ALA 157 CO -0.23 0.56 -0.20 0.78 0.00 0.00 0.00 179.25 180.16 2k5g h GLY 158 N 1.20 -0.44 0.84 0.00 0.00 -0.81 0.74 103.07 104.60 2k5g h GLY 158 Ca 0.32 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 2k5g h GLY 158 CO -0.06 -0.19 0.04 0.50 0.00 0.00 0.00 176.54 176.83 2k5g h LYS 159 N -0.44 0.25 0.00 4.80 1.79 -0.44 0.33 116.57 122.87 2k5g h LYS 159 Ca -0.00 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 2k5g h LYS 159 Cb 0.40 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2k5g h LYS 159 CO -0.04 0.39 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.53 2k5g h LEU 160 N 0.07 0.00 -0.61 2.94 3.38 -0.66 -0.50 115.31 119.93 2k5g h LEU 160 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k5g h LEU 160 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2k5g h LEU 160 CO -0.00 0.11 -0.16 0.00 0.09 0.00 0.00 178.44 178.48 2k5g n ALA 161 N -2.20 2.88 -1.89 1.53 0.00 0.25 -4.68 120.51 116.40 2k5g n ALA 161 Ca -0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.02 2k5g n ALA 161 Cb 0.30 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 2k5g n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 162 N 1.28 0.34 3.92 0.00 0.00 -0.20 -5.05 105.19 105.48 2k5g n GLY 162 Ca 0.15 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 2k5g n GLY 162 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5g s GLN 163 N -3.80 2.76 0.72 1.61 -0.21 0.11 -5.02 119.66 115.84 2k5g s GLN 163 Ca 0.00 -1.31 -0.11 0.00 0.02 0.00 0.00 55.36 53.97 2k5g s GLN 163 Cb 0.00 -2.58 0.02 0.00 1.00 0.00 0.00 33.01 31.46 2k5g s GLN 163 CO 0.00 -0.09 1.07 0.00 -2.12 0.00 0.00 175.29 174.15 2k5g s ALA 164 N -2.34 2.53 0.69 6.09 0.00 -1.26 -4.26 121.76 123.20 2k5g s ALA 164 Ca 0.47 0.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.42 2k5g s ALA 164 Cb -0.07 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.85 2k5g s ALA 164 CO 0.29 -1.41 1.18 -0.35 0.00 0.00 0.00 175.76 175.47 2k5g n PRO 165 N -3.25 0.81 -2.54 0.00 -0.04 -1.26 -4.79 135.00 123.93 2k5g n PRO 165 Ca 0.08 0.33 -0.23 0.00 -0.04 0.00 0.00 63.50 63.64 2k5g n PRO 165 Cb 0.53 -2.42 0.08 0.00 -0.04 0.00 0.00 33.50 31.66 2k5g n PRO 165 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2k5g s PRO 166 N -3.43 2.00 -1.08 0.54 0.04 -1.26 -4.96 135.00 126.85 2k5g s PRO 166 Ca 0.79 -0.89 -0.25 0.00 0.04 0.00 0.00 61.00 60.69 2k5g s PRO 166 Cb -0.36 -2.35 -0.15 0.00 0.04 0.00 0.00 34.50 31.68 2k5g s PRO 166 CO 0.45 -1.20 2.06 -2.14 0.04 0.00 0.00 177.00 176.20 2k5g s PRO 167 N -5.04 1.85 0.32 0.56 0.02 -1.26 -4.60 135.00 126.85 2k5g s PRO 167 Ca 0.63 -0.63 0.01 0.00 0.02 0.00 0.00 61.00 61.03 2k5g s PRO 167 Cb -0.08 -5.07 0.55 0.00 0.02 0.00 0.00 34.50 29.92 2k5g s PRO 167 CO 0.43 -4.63 1.97 0.35 -0.33 0.00 0.00 177.00 174.78 2k5g h PHE 168 N 10.94 0.93 0.36 6.54 3.57 -1.93 0.53 116.94 137.88 2k5g h PHE 168 Ca 0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2k5g h PHE 168 Cb 0.97 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.41 2k5g h PHE 168 CO 1.12 0.56 -0.17 2.35 -2.23 0.00 0.00 178.31 179.94 2k5g h TRP 169 N 0.98 -0.45 -0.44 0.41 7.01 -1.91 -0.02 115.95 121.53 2k5g h TRP 169 Ca 0.30 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.27 2k5g h TRP 169 Cb -0.01 0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 2k5g h TRP 169 CO -0.00 -0.27 0.20 1.15 -2.79 0.00 0.00 178.44 176.74 2k5g h THR 170 N -0.51 1.19 -0.30 2.65 2.02 -1.86 -1.37 112.91 114.73 2k5g h THR 170 Ca -0.05 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 2k5g h THR 170 Cb 0.38 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2k5g h THR 170 CO 0.08 0.21 -0.02 0.74 0.37 0.00 0.00 175.52 176.90 2k5g h THR 171 N 0.57 1.19 0.12 3.16 2.02 -0.82 0.95 112.91 120.10 2k5g h THR 171 Ca 0.15 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 2k5g h THR 171 Cb 0.14 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2k5g h THR 171 CO -0.02 0.26 -0.06 0.25 0.37 0.00 0.00 175.52 176.32 2k5g h LEU 172 N 0.45 -0.13 -0.85 2.58 6.46 -0.61 -0.74 115.31 122.47 2k5g h LEU 172 Ca 0.10 -0.20 0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2k5g h LEU 172 Cb 0.32 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 2k5g h LEU 172 CO 0.01 0.13 0.56 0.00 -0.62 0.00 0.00 178.44 178.52 2k5g h ALA 173 N 0.45 1.09 -0.38 1.25 0.00 -0.83 0.15 119.26 120.99 2k5g h ALA 173 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k5g h ALA 173 Cb 0.33 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k5g h ALA 173 CO 0.03 0.45 0.25 0.37 0.00 0.00 0.00 179.25 180.34 2k5g h GLN 174 N 1.12 0.51 -0.20 0.00 4.15 -0.77 0.15 115.11 120.07 2k5g h GLN 174 Ca 0.32 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 2k5g h GLN 174 Cb -0.09 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 2k5g h GLN 174 CO -0.08 0.35 0.12 0.00 -1.93 0.00 0.00 178.83 177.29 2k5g h ALA 175 N 1.13 0.25 -0.34 3.38 0.00 -0.42 0.10 119.26 123.36 2k5g h ALA 175 Ca 0.14 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2k5g h ALA 175 Cb -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2k5g h ALA 175 CO -0.03 -0.25 0.15 0.93 0.00 0.00 0.00 179.25 180.05 2k5g h GLU 176 N 0.24 0.31 -0.72 0.00 5.08 -0.48 -0.48 114.58 118.54 2k5g h GLU 176 Ca 0.07 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2k5g h GLU 176 Cb 0.01 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2k5g h GLU 176 CO -0.01 0.20 0.44 1.96 -1.00 0.00 0.00 179.01 180.60 2k5g h GLN 177 N 0.32 0.96 -0.05 2.33 1.08 -0.47 -0.68 115.11 118.60 2k5g h GLN 177 Ca 0.15 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2k5g h GLN 177 Cb 0.09 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2k5g h GLN 177 CO -0.13 0.67 -0.02 0.22 -0.95 0.00 0.00 178.83 178.62 2k5g h ASP 178 N 0.98 0.10 1.17 1.46 3.58 0.30 -1.97 116.42 122.05 2k5g h ASP 178 Ca 0.26 -0.40 -0.05 0.00 0.42 0.00 0.00 57.03 57.25 2k5g h ASP 178 Cb -0.05 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2k5g h ASP 178 CO -0.05 0.49 -0.26 1.88 -2.88 0.00 0.00 179.24 178.41 2k5g h TYR 179 N -0.28 0.00 -0.00 0.28 0.05 -1.06 -1.32 116.97 114.64 2k5g h TYR 179 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2k5g h TYR 179 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2k5g h TYR 179 CO 0.06 0.26 -0.01 0.39 -1.05 0.00 0.00 178.16 177.82 2k5g n GLU 180 N -3.31 0.66 0.00 4.88 -0.58 -0.27 -4.48 120.64 117.54 2k5g n GLU 180 Ca 0.01 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2k5g n GLU 180 Cb 0.51 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 2k5g n GLU 180 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2k5g n GLN 181 N -1.14 0.00 -2.18 3.49 1.13 -0.57 -4.96 117.38 113.14 2k5g n GLN 181 Ca 0.18 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.10 2k5g n GLN 181 Cb 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.53 2k5g n GLN 181 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2k5g n ARG 182 N -0.85 -1.92 -2.93 -1.09 1.74 -0.75 -4.95 116.66 105.91 2k5g n ARG 182 Ca 0.00 0.72 -0.22 0.00 -0.77 0.00 0.00 57.85 57.57 2k5g n ARG 182 Cb 0.00 -5.24 0.02 0.00 -1.02 0.00 0.00 32.46 26.21 2k5g n ARG 182 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2k5g s LEU 183 N -5.25 3.58 -0.02 0.55 2.96 -1.26 -4.96 118.68 114.29 2k5g s LEU 183 Ca 0.00 0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2k5g s LEU 183 Cb 0.00 -3.08 -0.07 0.00 0.50 0.00 0.00 46.19 43.54 2k5g s LEU 183 CO 0.00 -0.78 2.48 0.18 -1.32 0.00 0.00 176.35 176.91 2k5g n LEU 184 N -2.11 5.37 0.00 -0.68 4.32 -1.26 -4.39 117.00 118.24 2k5g n LEU 184 Ca 0.03 -2.68 0.00 0.00 -0.02 0.00 0.00 56.01 53.33 2k5g n LEU 184 Cb 0.58 -1.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.17 2k5g n LEU 184 CO 0.47 1.23 0.00 -1.84 -1.22 0.00 0.00 177.39 176.02 2k5g n GLU 185 N 1.74 1.43 0.00 3.23 0.28 -1.26 -5.00 120.64 121.07 2k5g n GLU 185 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2k5g n GLU 185 Cb 0.62 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.49 2k5g n GLU 185 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2k5g n HIS 186 N -0.31 0.00 -3.91 -1.84 8.25 -1.26 -4.12 115.22 112.02 2k5g n HIS 186 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 2k5g n HIS 186 Cb 0.00 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 30.94 2k5g n HIS 186 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k5g s HIS 187 N 1.34 0.49 -0.55 4.41 -3.43 -1.26 -1.08 115.29 115.20 2k5g s HIS 187 Ca 0.00 -0.07 -0.16 0.00 -0.80 0.00 0.00 55.06 54.03 2k5g s HIS 187 Cb 0.00 -0.58 0.13 0.00 -1.43 0.00 0.00 32.58 30.70 2k5g s HIS 187 CO 0.00 -0.21 0.51 -1.58 -2.00 0.00 0.00 174.74 171.47 2k5g s HIS 188 N 1.38 3.27 -1.05 0.38 5.04 0.03 -4.03 115.29 120.31 2k5g s HIS 188 Ca -0.04 -1.32 -0.16 0.00 -1.54 0.00 0.00 55.06 51.99 2k5g s HIS 188 Cb -0.13 -3.80 0.15 0.00 0.04 0.00 0.00 32.58 28.84 2k5g s HIS 188 CO -0.02 -1.02 1.26 -1.58 -2.34 0.00 0.00 174.74 171.03 2k5g s HIS 189 N 1.54 3.31 0.00 3.88 2.46 -1.26 -4.88 115.29 120.34 2k5g s HIS 189 Ca 0.04 -1.74 0.00 0.00 0.47 0.00 0.00 55.06 53.82 2k5g s HIS 189 Cb -0.29 -4.29 0.00 0.00 -0.13 0.00 0.00 32.58 27.87 2k5g s HIS 189 CO 0.02 -1.43 0.00 1.58 -2.47 0.00 0.00 174.74 172.44 2k5g n HIS 190 N 6.07 0.00 0.00 3.88 -0.00 -1.26 -4.47 115.22 119.44 2k5g n HIS 190 Ca 0.29 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.47 2k5g n HIS 190 Cb 0.46 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 2k5g n HIS 190 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38