#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 3.21 0.40 3.17 2.01 -1.26 -4.42 115.64 118.75 2k5g s THR 2 Ca 0.00 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.20 2k5g s THR 2 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.21 2k5g s THR 2 CO 0.00 -0.20 0.00 -0.24 -0.69 0.00 0.00 174.62 173.49 2k5g n SER 3 N 11.52 -3.60 -4.72 3.53 2.88 -1.26 -5.12 113.62 116.85 2k5g n SER 3 Ca 0.27 0.80 -0.38 0.00 -1.33 0.00 0.00 58.87 58.23 2k5g n SER 3 Cb 0.47 3.41 -0.06 0.00 -0.75 0.00 0.00 64.21 67.29 2k5g n SER 3 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2k5g s PRO 4 N -2.00 4.37 0.00 -1.46 0.04 -1.26 -4.90 135.00 129.79 2k5g s PRO 4 Ca 0.00 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.63 2k5g s PRO 4 Cb 0.00 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2k5g s PRO 4 CO 0.00 0.12 0.64 -1.13 0.04 0.00 0.00 177.00 176.68 2k5g n SER 5 N 3.72 0.00 -0.02 6.66 3.41 -1.26 -4.87 113.62 121.26 2k5g n SER 5 Ca -0.05 -1.41 0.12 0.00 -0.26 0.00 0.00 58.87 57.27 2k5g n SER 5 Cb 0.51 -0.08 0.71 0.00 -0.26 0.00 0.00 64.21 65.09 2k5g n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k5g n SER 6 N 0.00 0.05 -4.58 4.04 7.64 -1.26 -4.70 113.62 114.81 2k5g n SER 6 Ca 0.00 -1.25 -0.42 0.00 1.01 0.00 0.00 58.87 58.21 2k5g n SER 6 Cb 0.58 -0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 2k5g n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k5g s ALA 7 N -2.00 3.45 -0.24 -0.43 0.00 -1.26 -5.03 121.76 116.25 2k5g s ALA 7 Ca 0.36 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.61 2k5g s ALA 7 Cb 0.17 -3.27 0.05 0.00 0.00 0.00 0.00 23.12 20.07 2k5g s ALA 7 CO 0.28 -1.40 -0.12 -0.06 0.00 0.00 0.00 175.76 174.46 2k5g s PHE 8 N 2.91 3.08 -0.54 0.00 0.08 -1.26 -5.08 117.98 117.16 2k5g s PHE 8 Ca 0.28 -2.14 -0.27 0.00 0.12 0.00 0.00 56.93 54.92 2k5g s PHE 8 Cb -0.14 -1.89 0.03 0.00 -0.57 0.00 0.00 43.02 40.46 2k5g s PHE 8 CO 0.16 -0.85 1.09 -1.25 -0.10 0.00 0.00 175.22 174.26 2k5g s PRO 9 N 1.17 3.51 -0.19 0.24 0.05 -1.26 -5.02 135.00 133.50 2k5g s PRO 9 Ca -0.06 0.18 -0.01 0.00 0.05 0.00 0.00 61.00 61.16 2k5g s PRO 9 Cb -0.19 -3.99 0.01 0.00 0.05 0.00 0.00 34.50 30.38 2k5g s PRO 9 CO -0.07 -1.52 -0.13 0.34 0.05 0.00 0.00 177.00 175.67 2k5g s ASP 10 N 2.75 3.66 -1.50 6.66 -1.08 -1.26 -4.65 116.67 121.25 2k5g s ASP 10 Ca 0.40 -0.52 -0.05 0.00 -0.52 0.00 0.00 52.55 51.86 2k5g s ASP 10 Cb -0.09 -1.59 0.02 0.00 -1.46 0.00 0.00 42.92 39.80 2k5g s ASP 10 CO 0.25 0.01 0.55 0.61 0.52 0.00 0.00 175.17 177.12 2k5g n GLY 11 N 4.55 -0.51 3.36 2.66 0.00 -1.26 -4.90 105.19 109.08 2k5g n GLY 11 Ca -0.20 0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 2k5g n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k5g s HIS 12 N -3.11 3.93 -0.15 1.61 2.46 -1.26 -4.74 115.29 114.02 2k5g s HIS 12 Ca 0.31 -2.30 0.17 0.00 0.47 0.00 0.00 55.06 53.72 2k5g s HIS 12 Cb -0.14 -3.93 0.44 0.00 -0.13 0.00 0.00 32.58 28.81 2k5g s HIS 12 CO 0.38 -1.06 1.19 0.41 -2.47 0.00 0.00 174.74 173.19 2k5g n GLY 13 N 3.50 3.39 3.41 1.59 0.00 -1.26 -5.06 105.19 110.76 2k5g n GLY 13 Ca 0.22 -1.26 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.13 2.38 -1.27 4.61 0.00 -1.26 -4.72 121.76 119.37 2k5g s ALA 14 Ca 0.37 -1.78 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 2k5g s ALA 14 Cb 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2k5g s ALA 14 CO -0.09 0.17 0.11 0.54 0.00 0.00 0.00 175.76 176.49 2k5g n ARG 15 N -0.50 -1.83 -2.95 0.00 3.00 -1.26 -4.96 116.66 108.16 2k5g n ARG 15 Ca -0.06 0.73 -0.43 0.00 -0.01 0.00 0.00 57.85 58.07 2k5g n ARG 15 Cb 0.60 -5.08 -0.05 0.00 0.00 0.00 0.00 32.46 27.93 2k5g n ARG 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2k5g s LEU 16 N -4.58 4.21 0.83 0.55 1.43 -1.26 -5.04 118.68 114.83 2k5g s LEU 16 Ca 0.06 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 2k5g s LEU 16 Cb -0.02 -2.99 0.09 0.00 0.03 0.00 0.00 46.19 43.30 2k5g s LEU 16 CO 0.07 -0.90 1.16 -0.62 0.23 0.00 0.00 176.35 176.29 2k5g s ASP 17 N 2.10 4.27 0.00 2.29 2.15 -1.26 -5.02 116.67 121.21 2k5g s ASP 17 Ca 0.31 0.88 0.00 0.00 0.43 0.00 0.00 52.55 54.17 2k5g s ASP 17 Cb -0.12 -1.43 0.00 0.00 -0.30 0.00 0.00 42.92 41.07 2k5g s ASP 17 CO 0.22 -2.06 0.71 0.00 -0.17 0.00 0.00 175.17 173.87 2k5g n ALA 18 N -3.43 1.60 0.15 3.66 0.00 -1.26 -4.65 120.51 116.57 2k5g n ALA 18 Ca 0.07 -0.71 0.08 0.00 0.00 0.00 0.00 53.44 52.88 2k5g n ALA 18 Cb 0.60 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.11 2k5g n ALA 18 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2k5g h GLN 19 N 0.00 0.00 -5.55 0.00 4.20 -2.02 -3.46 115.11 108.27 2k5g h GLN 19 Ca 0.00 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.07 2k5g h GLN 19 Cb 0.60 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.29 2k5g h GLN 19 CO 0.00 0.18 -0.38 -1.12 -0.67 0.00 0.00 178.83 176.84 2k5g s SER 20 N -6.04 4.41 -0.23 1.46 0.01 -1.26 -4.96 113.70 107.09 2k5g s SER 20 Ca 0.03 -1.48 -0.09 0.00 1.31 0.00 0.00 55.95 55.72 2k5g s SER 20 Cb 0.07 0.62 -0.04 0.00 0.21 0.00 0.00 66.02 66.87 2k5g s SER 20 CO 0.74 -1.07 0.12 -0.63 0.41 0.00 0.00 173.24 172.81 2k5g s ILE 21 N -2.85 5.06 -0.14 1.44 -1.09 -1.10 -5.00 121.20 117.51 2k5g s ILE 21 Ca 0.18 0.07 -0.07 0.00 -2.23 0.00 0.00 60.65 58.60 2k5g s ILE 21 Cb -0.01 -3.34 0.05 0.00 -1.58 0.00 0.00 42.46 37.58 2k5g s ILE 21 CO 0.11 0.37 0.34 0.00 -1.23 0.00 0.00 174.94 174.53 2k5g s ARG 22 N 0.97 0.30 -0.20 2.79 1.04 -1.25 -0.43 118.95 122.18 2k5g s ARG 22 Ca 0.06 0.68 -0.02 0.00 -1.04 0.00 0.00 55.73 55.41 2k5g s ARG 22 Cb -0.13 -0.06 0.06 0.00 -2.04 0.00 0.00 34.95 32.78 2k5g s ARG 22 CO 0.03 -0.17 0.02 -0.06 -0.04 0.00 0.00 175.30 175.09 2k5g s PHE 23 N 1.40 1.21 -0.20 5.89 0.08 0.90 -4.94 117.98 122.31 2k5g s PHE 23 Ca -0.09 -0.96 -0.06 0.00 0.12 0.00 0.00 56.93 55.94 2k5g s PHE 23 Cb -0.09 -1.10 -0.03 0.00 -0.57 0.00 0.00 43.02 41.23 2k5g s PHE 23 CO -0.11 -0.62 0.03 -1.83 -0.10 0.00 0.00 175.22 172.59 2k5g s GLU 24 N 1.80 3.73 0.31 0.44 1.03 -1.26 0.36 118.70 125.10 2k5g s GLU 24 Ca -0.01 -0.46 0.03 0.00 0.03 0.00 0.00 54.97 54.55 2k5g s GLU 24 Cb -0.17 -3.16 -0.05 0.00 -0.80 0.00 0.00 34.13 29.95 2k5g s GLU 24 CO -0.08 0.06 0.08 1.03 -1.33 0.00 0.00 175.26 175.03 2k5g s ARG 25 N 0.91 1.61 -0.13 -4.83 1.81 0.28 -4.96 118.95 113.63 2k5g s ARG 25 Ca 0.02 -1.90 0.01 0.00 -1.72 0.00 0.00 55.73 52.15 2k5g s ARG 25 Cb -0.14 -0.60 -0.01 0.00 -0.45 0.00 0.00 34.95 33.75 2k5g s ARG 25 CO 0.02 -0.27 -0.17 -1.17 -0.68 0.00 0.00 175.30 173.03 2k5g s LEU 26 N -3.44 2.45 0.16 2.53 1.98 -1.26 -1.18 118.68 119.91 2k5g s LEU 26 Ca 0.35 -0.45 0.10 0.00 -2.89 0.00 0.00 54.13 51.24 2k5g s LEU 26 Cb 0.08 -1.54 -0.04 0.00 0.66 0.00 0.00 46.19 45.35 2k5g s LEU 26 CO 0.15 0.13 -0.18 -0.76 -1.89 0.00 0.00 176.35 173.79 2k5g s LEU 27 N 0.55 2.66 0.42 -0.68 2.01 0.97 -4.95 118.68 119.65 2k5g s LEU 27 Ca -0.10 -0.67 -0.22 0.00 0.01 0.00 0.00 54.13 53.15 2k5g s LEU 27 Cb -0.16 -1.43 -0.11 0.00 0.01 0.00 0.00 46.19 44.50 2k5g s LEU 27 CO 0.04 0.14 0.96 -2.16 1.01 0.00 0.00 176.35 176.34 2k5g s PRO 28 N -2.46 4.25 0.00 1.29 0.04 -1.26 0.21 135.00 137.07 2k5g s PRO 28 Ca 0.20 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2k5g s PRO 28 Cb -0.09 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2k5g s PRO 28 CO 0.11 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.54 2k5g n GLY 29 N -0.42 2.63 0.26 0.56 0.00 -0.47 -4.61 105.19 103.14 2k5g n GLY 29 Ca 0.06 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.57 0.00 1.61 0.13 -1.79 -2.17 132.00 129.22 2k5g h PRO 30 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2k5g h PRO 30 Cb 0.00 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.26 2k5g h PRO 30 CO 0.00 -0.27 0.00 1.51 -0.23 0.00 0.00 178.00 179.01 2k5g n ILE 31 N -5.24 0.00 -0.09 -3.56 3.06 -1.26 -4.07 119.36 108.20 2k5g n ILE 31 Ca -0.10 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.15 2k5g n ILE 31 Cb 0.30 0.00 0.28 0.00 0.54 0.00 0.00 39.64 40.76 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 0.72 -0.21 9.51 3.07 -1.92 -1.24 114.58 124.52 2k5g h GLU 32 Ca 0.00 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 2k5g h GLU 32 Cb 0.00 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 2k5g h GLU 32 CO 0.00 0.59 0.08 -0.09 -1.40 0.00 0.00 179.01 178.19 2k5g h ARG 33 N 0.72 0.32 -0.30 2.33 2.43 -1.94 0.38 114.38 118.32 2k5g h ARG 33 Ca 0.17 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2k5g h ARG 33 Cb 0.14 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2k5g h ARG 33 CO -0.02 0.39 -0.19 0.28 -1.51 0.00 0.00 179.97 178.92 2k5g h VAL 34 N 0.18 1.25 -0.52 0.20 2.07 -1.77 -2.69 116.25 114.97 2k5g h VAL 34 Ca 0.07 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 2k5g h VAL 34 Cb 0.19 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2k5g h VAL 34 CO -0.00 0.39 0.07 -0.25 0.02 0.00 0.00 177.57 177.79 2k5g h TRP 35 N 0.49 0.94 -0.76 1.57 2.91 -0.76 -2.95 115.95 117.39 2k5g h TRP 35 Ca 0.08 -0.14 0.08 0.00 1.13 0.00 0.00 58.89 60.04 2k5g h TRP 35 Cb 0.61 -0.25 -0.05 0.00 -0.51 0.00 0.00 29.16 28.96 2k5g h TRP 35 CO 0.02 0.85 0.50 0.00 -1.03 0.00 0.00 178.44 178.78 2k5g h ALA 36 N 0.97 1.72 0.00 2.65 0.00 0.08 0.22 119.26 124.90 2k5g h ALA 36 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2k5g h ALA 36 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2k5g h ALA 36 CO 0.01 0.14 -0.30 -1.49 0.00 0.00 0.00 179.25 177.62 2k5g h TRP 37 N 0.75 0.00 0.11 0.00 4.06 -1.39 0.26 115.95 119.75 2k5g h TRP 37 Ca 0.34 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 61.02 2k5g h TRP 37 Cb 0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.50 2k5g h TRP 37 CO -0.00 0.30 -1.24 -0.07 -3.56 0.00 0.00 178.44 173.87 2k5g h LEU 38 N 0.00 0.38 0.03 -4.49 3.38 -0.60 -3.38 115.31 110.63 2k5g h LEU 38 Ca -0.00 -0.41 -0.33 0.00 0.09 0.00 0.00 57.88 57.23 2k5g h LEU 38 Cb 0.75 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 2k5g h LEU 38 CO 0.04 1.32 -1.93 0.00 0.09 0.00 0.00 178.44 177.96 2k5g n ALA 39 N -2.52 1.36 -0.87 1.53 0.00 0.04 -4.88 120.51 115.17 2k5g n ALA 39 Ca -0.08 -0.84 -0.31 0.00 0.00 0.00 0.00 53.44 52.21 2k5g n ALA 39 Cb 1.02 -0.66 0.15 0.00 0.00 0.00 0.00 19.45 19.96 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 -6.23 3.24 -0.04 0.00 2.15 0.91 -3.87 116.67 112.82 2k5g s ASP 40 Ca -0.11 2.01 0.06 0.00 0.43 0.00 0.00 52.55 54.94 2k5g s ASP 40 Cb 0.07 -2.51 -0.09 0.00 -0.30 0.00 0.00 42.92 40.08 2k5g s ASP 40 CO 0.80 -2.87 0.09 0.00 -0.17 0.00 0.00 175.17 173.01 2k5g n ALA 41 N -4.07 2.04 0.09 3.66 0.00 -1.26 -4.27 120.51 116.70 2k5g n ALA 41 Ca 0.10 -0.31 -0.07 0.00 0.00 0.00 0.00 53.44 53.16 2k5g n ALA 41 Cb 0.53 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 2k5g n ALA 41 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k5g h ASP 42 N 0.00 -0.28 1.00 0.00 3.58 -1.94 -3.06 116.42 115.72 2k5g h ASP 42 Ca -0.09 -0.11 -0.13 0.00 0.42 0.00 0.00 57.03 57.12 2k5g h ASP 42 Cb 0.89 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.99 2k5g h ASP 42 CO 0.01 0.22 -0.60 0.07 -2.88 0.00 0.00 179.24 176.05 2k5g h LYS 43 N -1.04 0.00 0.00 0.28 2.10 -1.95 -3.09 116.57 112.87 2k5g h LYS 43 Ca -0.03 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 2k5g h LYS 43 Cb 0.37 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2k5g h LYS 43 CO 0.05 0.60 -0.07 -0.09 -2.00 0.00 0.00 179.45 177.95 2k5g h ARG 44 N 0.00 0.00 0.00 0.07 2.43 -1.74 -0.65 114.38 114.49 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 1.27 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2k5g h ARG 44 CO 0.08 0.07 -0.01 0.00 -1.51 0.00 0.00 179.97 178.60 2k5g h ALA 45 N 1.93 1.01 0.00 2.80 0.00 -1.44 0.18 119.26 123.73 2k5g h ALA 45 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k5g h ALA 45 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k5g h ALA 45 CO 0.01 0.01 -1.08 2.89 0.00 0.00 0.00 179.25 181.08 2k5g n ARG 46 N -3.11 0.08 -0.00 0.00 1.85 -0.26 -3.93 116.66 111.28 2k5g n ARG 46 Ca -0.01 -0.02 0.03 0.00 -1.00 0.00 0.00 57.85 56.85 2k5g n ARG 46 Cb 0.22 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.09 2k5g n ARG 46 CO 0.00 0.00 0.00 -2.67 -0.01 0.00 0.00 177.63 174.95 2k5g n TRP 47 N -1.59 0.00 0.00 2.89 4.27 -1.01 -4.22 117.44 117.77 2k5g n TRP 47 Ca 0.03 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.64 2k5g n TRP 47 Cb 0.36 -0.05 0.00 0.00 -1.36 0.00 0.00 31.31 30.26 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 -1.36 0.00 -3.60 5.67 -0.00 0.35 -4.89 117.00 113.18 2k5g n LEU 48 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 2k5g n LEU 48 Cb 0.10 0.13 -0.06 0.00 -0.00 0.00 0.00 43.42 43.59 2k5g n LEU 48 CO 0.11 -0.18 0.75 0.00 -0.00 0.00 0.00 177.39 178.07 2k5g s ALA 49 N -1.30 -1.95 0.12 1.96 0.00 0.27 -4.62 121.76 116.24 2k5g s ALA 49 Ca 0.00 1.70 -0.30 0.00 0.00 0.00 0.00 51.96 53.36 2k5g s ALA 49 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 22.05 2k5g s ALA 49 CO 0.00 -0.28 1.13 0.20 0.00 0.00 0.00 175.76 176.81 2k5g s GLY 50 N -0.54 2.68 0.00 0.00 0.00 0.67 -3.39 107.32 106.74 2k5g s GLY 50 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.53 2k5g s GLY 50 CO -0.02 1.81 0.00 0.61 0.00 0.00 0.00 173.10 175.51 2k5g n GLY 51 N 2.57 2.26 3.94 0.20 0.00 -1.25 -1.42 105.19 111.49 2k5g n GLY 51 Ca 0.05 0.23 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 2k5g n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5g s GLU 52 N -0.39 3.26 0.23 1.61 -1.05 -1.26 -4.59 118.70 116.51 2k5g s GLU 52 Ca 0.00 -0.30 -0.01 0.00 -0.15 0.00 0.00 54.97 54.51 2k5g s GLU 52 Cb 0.00 -2.54 -0.04 0.00 -0.44 0.00 0.00 34.13 31.10 2k5g s GLU 52 CO 0.00 -0.16 0.42 -0.51 0.95 0.00 0.00 175.26 175.96 2k5g s LEU 53 N -4.54 4.19 0.90 1.83 1.02 -1.25 -4.56 118.68 116.28 2k5g s LEU 53 Ca 0.46 0.42 -0.11 0.00 0.02 0.00 0.00 54.13 54.92 2k5g s LEU 53 Cb -0.10 -3.20 0.20 0.00 0.02 0.00 0.00 46.19 43.10 2k5g s LEU 53 CO 0.39 -0.08 1.23 -2.16 0.02 0.00 0.00 176.35 175.75 2k5g s PRO 54 N -3.47 0.79 0.16 1.29 0.05 -1.26 -5.03 135.00 127.54 2k5g s PRO 54 Ca 0.39 -0.79 0.23 0.00 0.05 0.00 0.00 61.00 60.87 2k5g s PRO 54 Cb -0.11 -2.01 0.03 0.00 0.05 0.00 0.00 34.50 32.47 2k5g s PRO 54 CO 0.30 -2.21 1.05 0.54 0.05 0.00 0.00 177.00 176.73 2k5g n ARG 55 N -3.50 0.53 -3.35 4.56 1.74 -1.26 -4.90 116.66 110.48 2k5g n ARG 55 Ca 0.17 0.09 -0.37 0.00 -0.77 0.00 0.00 57.85 56.96 2k5g n ARG 55 Cb 0.60 -1.77 -0.06 0.00 -1.02 0.00 0.00 32.46 30.21 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 -3.33 4.05 -0.11 5.56 -0.21 -1.26 -5.03 119.66 119.33 2k5g s GLN 56 Ca 0.00 0.57 -0.21 0.00 0.02 0.00 0.00 55.36 55.75 2k5g s GLN 56 Cb 0.11 -3.10 -0.04 0.00 1.00 0.00 0.00 33.01 30.98 2k5g s GLN 56 CO 0.79 0.58 0.59 -1.25 -2.12 0.00 0.00 175.29 173.88 2k5g s PRO 57 N -1.47 4.35 0.00 2.91 0.04 -1.26 -3.79 135.00 135.78 2k5g s PRO 57 Ca 0.32 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.01 2k5g s PRO 57 Cb -0.17 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.90 2k5g s PRO 57 CO 0.18 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.67 2k5g n GLY 58 N 3.31 0.72 3.98 0.56 0.00 0.46 -5.01 105.19 109.21 2k5g n GLY 58 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.90 2.81 -0.08 1.61 -0.21 -1.25 -4.87 119.66 116.78 2k5g s GLN 59 Ca 0.00 -0.84 -0.00 0.00 0.02 0.00 0.00 55.36 54.54 2k5g s GLN 59 Cb 0.00 -2.61 -0.03 0.00 1.00 0.00 0.00 33.01 31.37 2k5g s GLN 59 CO 0.00 -0.40 -0.06 0.95 -2.12 0.00 0.00 175.29 173.66 2k5g s THR 60 N -2.54 3.79 0.33 -0.19 -4.23 -1.26 -1.38 115.64 110.16 2k5g s THR 60 Ca 0.53 -0.44 0.09 0.00 -1.18 0.00 0.00 61.69 60.69 2k5g s THR 60 Cb -0.10 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 2k5g s THR 60 CO 0.36 0.59 0.03 0.72 -0.54 0.00 0.00 174.62 175.78 2k5g s PHE 61 N -0.67 2.59 -0.22 3.99 -0.12 0.64 -4.89 117.98 119.30 2k5g s PHE 61 Ca 0.10 -0.40 -0.11 0.00 -0.05 0.00 0.00 56.93 56.47 2k5g s PHE 61 Cb -0.11 -1.47 -0.05 0.00 -0.63 0.00 0.00 43.02 40.76 2k5g s PHE 61 CO 0.02 0.47 0.17 -1.21 -0.05 0.00 0.00 175.22 174.62 2k5g s GLU 62 N -3.73 4.13 0.21 1.99 0.41 -1.26 0.16 118.70 120.61 2k5g s GLU 62 Ca 0.35 -0.21 0.09 0.00 -0.41 0.00 0.00 54.97 54.79 2k5g s GLU 62 Cb -0.01 -3.49 -0.04 0.00 -1.78 0.00 0.00 34.13 28.80 2k5g s GLU 62 CO 0.20 0.15 -0.06 -0.51 -0.49 0.00 0.00 175.26 174.54 2k5g s LEU 63 N 0.80 3.05 -0.29 1.80 1.43 -0.78 -3.96 118.68 120.73 2k5g s LEU 63 Ca 0.09 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 2k5g s LEU 63 Cb -0.13 -1.68 0.12 0.00 0.03 0.00 0.00 46.19 44.54 2k5g s LEU 63 CO 0.02 0.07 0.78 -1.38 0.23 0.00 0.00 176.35 176.07 2k5g s HIS 64 N -1.92 -1.02 0.40 0.29 -3.43 -0.51 -0.68 115.29 108.42 2k5g s HIS 64 Ca 0.27 1.87 -0.25 0.00 -0.80 0.00 0.00 55.06 56.16 2k5g s HIS 64 Cb -0.08 0.61 -0.08 0.00 -1.43 0.00 0.00 32.58 31.60 2k5g s HIS 64 CO 0.17 -0.51 1.15 -0.06 -2.00 0.00 0.00 174.74 173.50 2k5g s PHE 65 N 2.20 3.08 -0.06 0.38 0.40 -0.40 -0.24 117.98 123.34 2k5g s PHE 65 Ca -0.07 1.57 -0.04 0.00 -0.60 0.00 0.00 56.93 57.79 2k5g s PHE 65 Cb -0.07 -3.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.06 2k5g s PHE 65 CO -0.18 -1.24 0.11 1.21 0.70 0.00 0.00 175.22 175.82 2k5g s ASN 66 N -1.20 6.00 0.01 1.36 2.47 -1.25 -4.45 114.94 117.88 2k5g s ASN 66 Ca 0.57 0.31 -0.30 0.00 0.42 0.00 0.00 52.86 53.86 2k5g s ASN 66 Cb -0.29 -1.84 -0.05 0.00 -1.45 0.00 0.00 41.25 37.61 2k5g s ASN 66 CO 0.37 0.34 1.34 -1.00 -3.72 0.00 0.00 177.10 174.43 2k5g s HIS 67 N -1.10 3.03 -1.69 0.43 3.76 -1.26 -2.99 115.29 115.45 2k5g s HIS 67 Ca 0.19 0.96 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 2k5g s HIS 67 Cb -0.12 -3.60 0.00 0.00 1.11 0.00 0.00 32.58 29.97 2k5g s HIS 67 CO 0.09 -2.12 0.00 0.00 -0.85 0.00 0.00 174.74 171.86 2k5g n ALA 68 N 4.99 -0.24 -0.06 -1.40 0.00 -1.26 -4.80 120.51 117.73 2k5g n ALA 68 Ca 0.12 0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 2k5g n ALA 68 Cb 0.44 -1.89 -0.13 0.00 0.00 0.00 0.00 19.45 17.88 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 1.30 1.13 -3.30 0.00 0.00 -1.16 -4.52 120.51 113.95 2k5g n ALA 69 Ca -0.16 -0.83 -0.30 0.00 0.00 0.00 0.00 53.44 52.15 2k5g n ALA 69 Cb 0.62 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 2k5g n ALA 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k5g n LEU 70 N -3.46 4.32 0.00 0.00 -0.00 -1.26 -4.75 117.00 111.85 2k5g n LEU 70 Ca -0.39 -5.43 0.00 0.00 -0.00 0.00 0.00 56.01 50.19 2k5g n LEU 70 Cb 1.00 -0.77 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 2k5g n LEU 70 CO 0.33 2.02 0.00 0.35 -0.00 0.00 0.00 177.39 180.09 2k5g n THR 71 N 0.82 0.00 -0.68 1.96 -2.24 -1.26 -4.84 114.28 108.03 2k5g n THR 71 Ca 0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 2k5g n THR 71 Cb 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 1.36 0.00 -0.06 6.98 0.00 -1.26 -4.23 120.51 123.30 2k5g n ALA 72 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2k5g n ALA 72 Cb 0.00 -0.30 0.22 0.00 0.00 0.00 0.00 19.45 19.37 2k5g n ALA 72 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2k5g h GLU 73 N 1.89 0.67 -4.77 0.00 4.11 -1.91 -3.37 114.58 111.19 2k5g h GLU 73 Ca 0.00 -0.17 -0.68 0.00 0.07 0.00 0.00 59.36 58.58 2k5g h GLU 73 Cb 0.00 -0.08 -0.34 0.00 0.50 0.00 0.00 28.75 28.83 2k5g h GLU 73 CO 0.00 0.69 -0.71 0.99 0.07 0.00 0.00 179.01 180.05 2k5g s THR 74 N -4.96 2.83 -0.27 -1.06 2.01 -1.26 -5.07 115.64 107.86 2k5g s THR 74 Ca -0.09 -1.49 -0.29 0.00 0.31 0.00 0.00 61.69 60.13 2k5g s THR 74 Cb 0.15 -2.67 0.18 0.00 0.01 0.00 0.00 72.50 70.18 2k5g s THR 74 CO 0.79 -0.14 1.31 0.00 -0.69 0.00 0.00 174.62 175.90 2k5g s ALA 75 N 1.21 -2.10 1.15 7.40 0.00 -1.26 -5.06 121.76 123.10 2k5g s ALA 75 Ca -0.05 1.83 -0.17 0.00 0.00 0.00 0.00 51.96 53.56 2k5g s ALA 75 Cb -0.20 -1.45 0.26 0.00 0.00 0.00 0.00 23.12 21.74 2k5g s ALA 75 CO -0.02 -0.23 1.10 -1.25 0.00 0.00 0.00 175.76 175.36 2k5g s PRO 76 N -0.88 -0.83 0.37 0.00 0.04 -1.26 -4.69 135.00 127.74 2k5g s PRO 76 Ca 0.07 0.08 0.05 0.00 0.04 0.00 0.00 61.00 61.24 2k5g s PRO 76 Cb -0.01 -1.63 0.74 0.00 0.04 0.00 0.00 34.50 33.64 2k5g s PRO 76 CO -0.08 -3.48 1.99 0.00 0.04 0.00 0.00 177.00 175.47 2k5g h ALA 77 N -2.42 1.67 0.00 8.56 0.00 -2.01 0.71 119.26 125.78 2k5g h ALA 77 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k5g h ALA 77 Cb 1.30 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k5g h ALA 77 CO 0.40 0.25 0.00 2.89 0.00 0.00 0.00 179.25 182.79 2k5g n ARG 78 N -4.47 0.74 0.00 0.00 1.85 -1.26 -3.16 116.66 110.36 2k5g n ARG 78 Ca 0.08 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 2k5g n ARG 78 Cb 0.15 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 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 -1.11 0.00 0.04 2.89 4.01 0.12 -4.78 117.16 118.33 2k5g n TYR 79 Ca 0.19 -0.30 -0.01 0.00 -0.16 0.00 0.00 57.90 57.62 2k5g n TYR 79 Cb 0.15 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.15 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k5g h ALA 80 N 0.00 -1.00 -0.16 -0.72 0.00 -1.18 -3.41 119.26 112.80 2k5g h ALA 80 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k5g h ALA 80 Cb 0.63 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k5g h ALA 80 CO 0.00 -1.00 0.00 0.94 0.00 0.00 0.00 179.25 179.19 2k5g n GLN 81 N -2.27 0.00 0.22 0.00 -0.06 -1.26 -0.17 117.38 113.84 2k5g n GLN 81 Ca -0.01 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.10 2k5g n GLN 81 Cb 0.04 0.00 0.39 0.00 -4.06 0.00 0.00 30.24 26.61 2k5g n GLN 81 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 2k5g h TYR 82 N 0.00 0.00 0.00 3.69 0.05 -1.92 -1.81 116.97 116.98 2k5g h TYR 82 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2k5g h TYR 82 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2k5g h TYR 82 CO 0.00 0.18 0.00 -3.47 -1.05 0.00 0.00 178.16 173.82 2k5g n ASP 83 N -3.25 0.00 -4.58 3.88 2.03 0.76 -4.45 116.55 110.94 2k5g n ASP 83 Ca 0.01 -0.14 -0.27 0.00 0.52 0.00 0.00 54.79 54.91 2k5g n ASP 83 Cb 0.47 -0.25 -0.09 0.00 -0.72 0.00 0.00 41.12 40.52 2k5g n ASP 83 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2k5g s ARG 84 N -2.51 2.12 -0.72 -0.67 0.52 -0.68 -4.72 118.95 112.29 2k5g s ARG 84 Ca 0.24 -1.19 -0.26 0.00 -0.52 0.00 0.00 55.73 54.01 2k5g s ARG 84 Cb 0.16 -2.22 -0.07 0.00 0.52 0.00 0.00 34.95 33.34 2k5g s ARG 84 CO 0.36 0.46 2.14 -2.14 0.02 0.00 0.00 175.30 176.13 2k5g s PRO 85 N -2.68 2.24 -0.49 3.54 0.02 -1.26 -4.78 135.00 131.58 2k5g s PRO 85 Ca 0.24 0.47 -0.17 0.00 0.02 0.00 0.00 61.00 61.56 2k5g s PRO 85 Cb -0.09 -4.73 0.07 0.00 0.02 0.00 0.00 34.50 29.76 2k5g s PRO 85 CO 0.15 -3.47 0.50 0.42 -0.33 0.00 0.00 177.00 174.27 2k5g s ILE 86 N 11.46 5.07 -0.22 2.83 1.01 -1.26 -4.96 121.20 135.12 2k5g s ILE 86 Ca 0.81 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 2k5g s ILE 86 Cb -0.12 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 2k5g s ILE 86 CO 0.12 -0.69 0.07 -0.69 0.00 0.00 0.00 174.94 173.74 2k5g s VAL 87 N 2.10 4.47 -0.19 2.92 1.01 -1.26 -1.28 120.40 128.17 2k5g s VAL 87 Ca 0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 2k5g s VAL 87 Cb -0.22 -3.06 0.09 0.00 0.00 0.00 0.00 36.38 33.19 2k5g s VAL 87 CO 0.09 0.38 0.37 0.00 0.00 0.00 0.00 175.10 175.94 2k5g s ALA 88 N 1.17 -0.99 0.46 5.51 0.00 0.14 -4.99 121.76 123.06 2k5g s ALA 88 Ca 0.04 1.21 -0.22 0.00 0.00 0.00 0.00 51.96 52.99 2k5g s ALA 88 Cb -0.14 -1.34 -0.08 0.00 0.00 0.00 0.00 23.12 21.56 2k5g s ALA 88 CO 0.03 -0.86 1.11 -0.98 0.00 0.00 0.00 175.76 175.06 2k5g s ARG 89 N 2.55 3.84 -0.02 0.00 1.70 -1.26 -1.86 118.95 123.90 2k5g s ARG 89 Ca 0.02 1.61 0.01 0.00 -0.47 0.00 0.00 55.73 56.90 2k5g s ARG 89 Cb -0.13 -2.35 0.01 0.00 -0.57 0.00 0.00 34.95 31.92 2k5g s ARG 89 CO -0.12 -0.45 -0.02 -1.01 -1.08 0.00 0.00 175.30 172.62 2k5g s HIS 90 N -1.68 0.34 0.06 5.89 3.76 0.12 -4.50 115.29 119.28 2k5g s HIS 90 Ca 0.64 -0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 55.22 2k5g s HIS 90 Cb -0.24 -0.32 -0.05 0.00 1.11 0.00 0.00 32.58 33.08 2k5g s HIS 90 CO 0.29 -0.07 0.88 0.99 -0.85 0.00 0.00 174.74 175.98 2k5g s THR 91 N 0.46 4.67 -0.13 1.30 2.01 -1.26 -0.26 115.64 122.42 2k5g s THR 91 Ca -0.05 1.89 -0.10 0.00 0.31 0.00 0.00 61.69 63.74 2k5g s THR 91 Cb -0.08 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 2k5g s THR 91 CO -0.01 0.30 0.21 -1.48 -0.69 0.00 0.00 174.62 172.96 2k5g s LEU 92 N 0.19 4.32 -0.20 4.42 -0.00 -0.48 -1.19 118.68 125.74 2k5g s LEU 92 Ca 0.44 0.48 -0.16 0.00 -0.00 0.00 0.00 54.13 54.90 2k5g s LEU 92 Cb -0.22 -2.22 -0.08 0.00 -0.00 0.00 0.00 46.19 43.67 2k5g s LEU 92 CO 0.27 0.26 -0.25 -0.11 -0.00 0.00 0.00 176.35 176.52 2k5g n LEU 93 N 2.74 1.91 -4.37 1.48 -0.00 0.16 -0.40 117.00 118.52 2k5g n LEU 93 Ca -0.16 0.41 -0.30 0.00 -0.00 0.00 0.00 56.01 55.96 2k5g n LEU 93 Cb 0.53 -0.81 -0.14 0.00 -0.00 0.00 0.00 43.42 42.99 2k5g n LEU 93 CO 0.36 -0.06 -0.56 -0.60 -0.00 0.00 0.00 177.39 176.53 2k5g s ARG 94 N -2.60 1.76 -0.35 1.96 3.52 -1.05 -4.36 118.95 117.82 2k5g s ARG 94 Ca -0.28 -1.14 0.03 0.00 -0.13 0.00 0.00 55.73 54.21 2k5g s ARG 94 Cb 0.06 -1.99 0.19 0.00 -1.56 0.00 0.00 34.95 31.65 2k5g s ARG 94 CO 0.41 0.50 0.71 0.00 -0.81 0.00 0.00 175.30 176.12 2k5g s GLU 96 N 2.29 1.74 0.23 0.00 2.02 0.07 -4.62 118.70 120.42 2k5g s GLU 96 Ca 0.15 -2.50 -0.30 0.00 0.02 0.00 0.00 54.97 52.34 2k5g s GLU 96 Cb -0.05 -2.82 -0.09 0.00 0.10 0.00 0.00 34.13 31.27 2k5g s GLU 96 CO -0.16 -1.19 1.06 -2.14 0.02 0.00 0.00 175.26 172.86 2k5g s PRO 97 N -0.27 4.67 -0.46 0.39 0.02 -1.26 -1.13 135.00 136.96 2k5g s PRO 97 Ca 0.20 1.70 -0.11 0.00 0.02 0.00 0.00 61.00 62.81 2k5g s PRO 97 Cb -0.19 -3.25 0.10 0.00 0.02 0.00 0.00 34.50 31.18 2k5g s PRO 97 CO -0.05 0.22 0.33 -1.25 -0.33 0.00 0.00 177.00 175.92 2k5g s PRO 98 N -0.93 2.66 0.00 5.54 0.04 -1.26 -5.04 135.00 136.02 2k5g s PRO 98 Ca 0.46 -1.57 0.00 0.00 0.04 0.00 0.00 61.00 59.93 2k5g s PRO 98 Cb -0.29 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2k5g s PRO 98 CO 0.37 -1.08 0.00 0.54 0.04 0.00 0.00 177.00 176.86 2k5g n ARG 99 N 4.99 0.00 -4.50 4.56 5.12 -0.29 -4.93 116.66 121.61 2k5g n ARG 99 Ca -0.10 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.61 2k5g n ARG 99 Cb 0.42 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.57 2k5g n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2k5g s VAL 100 N -0.35 0.94 0.03 1.55 1.01 -1.17 -1.07 120.40 121.34 2k5g s VAL 100 Ca 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2k5g s VAL 100 Cb 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 2k5g s VAL 100 CO 0.00 0.23 0.05 -1.48 0.00 0.00 0.00 175.10 173.90 2k5g s LEU 101 N -0.38 1.95 -0.00 3.92 0.05 -0.47 -0.75 118.68 123.00 2k5g s LEU 101 Ca 0.04 -0.50 -0.03 0.00 0.05 0.00 0.00 54.13 53.69 2k5g s LEU 101 Cb -0.05 0.42 -0.00 0.00 -2.05 0.00 0.00 46.19 44.51 2k5g s LEU 101 CO -0.00 -0.42 0.06 0.00 -0.55 0.00 0.00 176.35 175.44 2k5g s ALA 102 N -2.12 -0.14 0.34 1.48 0.00 0.23 -0.93 121.76 120.63 2k5g s ALA 102 Ca -0.09 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.76 2k5g s ALA 102 Cb -0.04 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2k5g s ALA 102 CO -0.03 -0.14 0.25 -0.48 0.00 0.00 0.00 175.76 175.36 2k5g s LEU 103 N -0.95 1.76 0.07 0.00 2.34 0.43 0.37 118.68 122.70 2k5g s LEU 103 Ca -0.10 -1.73 0.05 0.00 0.06 0.00 0.00 54.13 52.41 2k5g s LEU 103 Cb -0.06 0.44 -0.03 0.00 -0.56 0.00 0.00 46.19 45.98 2k5g s LEU 103 CO 0.00 -1.03 -0.15 0.28 -1.06 0.00 0.00 176.35 174.39 2k5g s THR 104 N -3.44 1.15 -1.22 5.48 -1.32 -0.33 0.79 115.64 116.75 2k5g s THR 104 Ca 0.38 -1.31 -0.20 0.00 -1.21 0.00 0.00 61.69 59.35 2k5g s THR 104 Cb 0.03 -1.10 0.02 0.00 -1.51 0.00 0.00 72.50 69.93 2k5g s THR 104 CO 0.25 -0.20 1.78 0.26 -2.21 0.00 0.00 174.62 174.49 2k5g s TRP 105 N -1.24 2.47 -0.59 9.09 0.23 0.25 -4.15 118.94 124.99 2k5g s TRP 105 Ca -0.01 -0.84 -0.30 0.00 -2.03 0.00 0.00 56.10 52.92 2k5g s TRP 105 Cb -0.10 -4.50 -0.13 0.00 0.03 0.00 0.00 33.47 28.77 2k5g s TRP 105 CO 0.02 -1.64 2.43 0.41 0.96 0.00 0.00 176.95 179.13 2k5g n GLY 106 N 5.73 0.09 2.49 0.98 0.00 -1.26 -1.47 105.19 111.74 2k5g n GLY 106 Ca 0.46 0.89 -0.14 0.00 0.00 0.00 0.00 46.02 47.23 2k5g n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 107 N 6.32 -0.09 3.67 -0.02 0.00 -1.26 -4.96 105.19 108.86 2k5g n GLY 107 Ca 0.47 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2k5g n GLY 107 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5g s GLY 108 N -2.75 1.71 0.00 -0.02 0.00 -0.54 -4.39 107.32 101.33 2k5g s GLY 108 Ca 0.16 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.54 2k5g s GLY 108 CO 0.20 2.59 0.00 0.00 0.00 0.00 0.00 173.10 175.89 2k5g n ALA 109 N 6.34 0.00 -3.67 3.20 0.00 -1.26 -4.75 120.51 120.37 2k5g n ALA 109 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.62 2k5g n ALA 109 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2k5g n ALA 109 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k5g s GLY 110 N 0.00 -0.42 0.00 0.00 0.00 -1.26 -5.16 107.32 100.48 2k5g s GLY 110 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 44.72 45.46 2k5g s GLY 110 CO 0.00 1.69 0.00 1.18 0.00 0.00 0.00 173.10 175.97 2k5g n GLU 111 N -0.61 0.00 -2.02 2.90 4.71 -1.26 -4.71 120.64 119.65 2k5g n GLU 111 Ca -0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.69 2k5g n GLU 111 Cb 0.62 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 31.05 2k5g n GLU 111 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k5g s ALA 112 N -1.96 3.29 0.14 0.62 0.00 -1.26 -4.76 121.76 117.83 2k5g s ALA 112 Ca 0.00 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 2k5g s ALA 112 Cb 0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 2k5g s ALA 112 CO 0.00 -0.86 1.25 -2.14 0.00 0.00 0.00 175.76 174.01 2k5g s PRO 113 N -2.22 4.43 0.54 0.00 0.02 -1.26 -4.91 135.00 131.59 2k5g s PRO 113 Ca 0.57 1.91 -0.16 0.00 0.02 0.00 0.00 61.00 63.33 2k5g s PRO 113 Cb -0.39 -3.26 -0.07 0.00 0.02 0.00 0.00 34.50 30.80 2k5g s PRO 113 CO 0.51 -0.23 1.01 -1.54 -0.33 0.00 0.00 177.00 176.41 2k5g s SER 114 N 0.62 6.39 0.10 2.53 1.04 -1.26 -4.79 113.70 118.33 2k5g s SER 114 Ca 0.57 1.65 0.05 0.00 0.48 0.00 0.00 55.95 58.70 2k5g s SER 114 Cb -0.33 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.23 2k5g s SER 114 CO 0.33 -0.75 0.01 -1.83 0.98 0.00 0.00 173.24 171.98 2k5g s GLU 115 N -4.05 2.56 -0.15 4.02 1.03 -0.56 -0.59 118.70 120.96 2k5g s GLU 115 Ca 0.60 -0.87 0.01 0.00 0.03 0.00 0.00 54.97 54.75 2k5g s GLU 115 Cb -0.12 -2.53 0.02 0.00 -0.80 0.00 0.00 34.13 30.70 2k5g s GLU 115 CO 0.32 0.53 -0.18 0.08 -1.33 0.00 0.00 175.26 174.69 2k5g s VAL 116 N -1.39 1.80 -0.10 1.83 1.01 0.24 -1.06 120.40 122.73 2k5g s VAL 116 Ca 0.26 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 2k5g s VAL 116 Cb -0.11 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2k5g s VAL 116 CO 0.19 0.50 -0.06 -0.22 0.00 0.00 0.00 175.10 175.51 2k5g s LEU 117 N 1.20 3.18 -0.16 3.92 1.98 0.30 -0.43 118.68 128.66 2k5g s LEU 117 Ca 0.00 -0.07 0.01 0.00 -2.89 0.00 0.00 54.13 51.18 2k5g s LEU 117 Cb -0.14 -1.72 0.02 0.00 0.66 0.00 0.00 46.19 45.01 2k5g s LEU 117 CO -0.08 0.28 -0.15 -0.36 -1.89 0.00 0.00 176.35 174.15 2k5g s PHE 118 N -0.32 2.38 -0.24 5.38 0.08 -0.10 -0.34 117.98 124.81 2k5g s PHE 118 Ca 0.05 -1.39 0.02 0.00 0.12 0.00 0.00 56.93 55.72 2k5g s PHE 118 Cb -0.12 -1.69 0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2k5g s PHE 118 CO 0.02 -0.72 -0.12 -1.21 -0.10 0.00 0.00 175.22 173.09 2k5g s GLU 119 N 1.42 2.54 -0.09 0.44 2.02 -0.99 -1.37 118.70 122.67 2k5g s GLU 119 Ca 0.04 -1.15 -0.04 0.00 0.02 0.00 0.00 54.97 53.85 2k5g s GLU 119 Cb -0.13 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 2k5g s GLU 119 CO -0.11 -0.45 0.07 -0.51 0.02 0.00 0.00 175.26 174.28 2k5g s LEU 120 N 1.19 3.94 0.02 1.80 1.43 -0.24 -2.19 118.68 124.63 2k5g s LEU 120 Ca -0.04 0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 2k5g s LEU 120 Cb -0.18 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 2k5g s LEU 120 CO -0.07 0.37 -0.21 -0.44 0.23 0.00 0.00 176.35 176.24 2k5g s SER 121 N -1.08 2.48 -0.22 2.29 0.01 0.84 -4.58 113.70 113.43 2k5g s SER 121 Ca 0.16 -0.45 -0.15 0.00 1.31 0.00 0.00 55.95 56.81 2k5g s SER 121 Cb -0.12 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 2k5g s SER 121 CO 0.05 0.21 0.35 -1.83 0.41 0.00 0.00 173.24 172.43 2k5g s GLU 122 N -0.85 4.13 -0.48 12.44 -1.05 -1.26 -0.52 118.70 131.10 2k5g s GLU 122 Ca 0.08 0.09 0.07 0.00 -0.15 0.00 0.00 54.97 55.07 2k5g s GLU 122 Cb -0.08 -3.56 0.26 0.00 -0.44 0.00 0.00 34.13 30.30 2k5g s GLU 122 CO 0.01 -0.07 0.62 0.00 0.95 0.00 0.00 175.26 176.77 2k5g n ALA 123 N 4.60 3.06 -0.55 -0.84 0.00 0.83 -4.98 120.51 122.63 2k5g n ALA 123 Ca -0.09 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.42 2k5g n ALA 123 Cb 0.51 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2k5g n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 124 N 1.10 1.34 1.56 0.00 0.00 -1.26 -1.14 105.19 106.79 2k5g n GLY 124 Ca 0.25 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.52 2k5g n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5g n GLU 125 N 0.00 4.12 -4.32 1.61 1.02 -1.26 -3.90 120.64 117.91 2k5g n GLU 125 Ca 0.00 -2.99 -0.22 0.00 -0.02 0.00 0.00 57.16 53.94 2k5g n GLU 125 Cb 0.00 -2.04 -0.11 0.00 -0.02 0.00 0.00 31.44 29.26 2k5g n GLU 125 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2k5g s GLN 126 N -2.46 1.24 -0.12 3.49 -0.21 -0.30 -1.37 119.66 119.93 2k5g s GLN 126 Ca 0.50 -1.37 -0.00 0.00 0.02 0.00 0.00 55.36 54.51 2k5g s GLN 126 Cb 0.37 -1.30 0.02 0.00 1.00 0.00 0.00 33.01 33.10 2k5g s GLN 126 CO 0.17 0.27 -0.08 0.08 -2.12 0.00 0.00 175.29 173.60 2k5g s VAL 127 N -1.97 1.08 -0.19 1.09 1.01 0.13 -0.12 120.40 121.43 2k5g s VAL 127 Ca 0.14 -0.33 -0.24 0.00 0.00 0.00 0.00 61.98 61.56 2k5g s VAL 127 Cb -0.06 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2k5g s VAL 127 CO 0.06 0.38 0.77 -0.13 0.00 0.00 0.00 175.10 176.18 2k5g s ARG 128 N 1.67 4.25 -0.10 2.72 0.52 0.32 -0.02 118.95 128.31 2k5g s ARG 128 Ca 0.05 0.89 0.02 0.00 -0.52 0.00 0.00 55.73 56.16 2k5g s ARG 128 Cb -0.13 -3.59 0.02 0.00 0.52 0.00 0.00 34.95 31.77 2k5g s ARG 128 CO -0.08 -0.33 -0.14 -1.17 0.02 0.00 0.00 175.30 173.59 2k5g s LEU 129 N 2.19 1.67 -0.15 2.53 0.20 -0.33 -0.12 118.68 124.67 2k5g s LEU 129 Ca 0.35 -0.40 0.00 0.00 0.69 0.00 0.00 54.13 54.77 2k5g s LEU 129 Cb -0.16 -1.03 0.03 0.00 -0.43 0.00 0.00 46.19 44.59 2k5g s LEU 129 CO 0.11 0.01 -0.12 0.54 -0.29 0.00 0.00 176.35 176.60 2k5g s VAL 130 N 1.00 1.44 -0.11 1.68 0.11 -0.93 0.99 120.40 124.59 2k5g s VAL 130 Ca -0.07 -0.59 -0.21 0.00 -2.93 0.00 0.00 61.98 58.18 2k5g s VAL 130 Cb -0.15 -1.40 -0.04 0.00 -1.53 0.00 0.00 36.38 33.27 2k5g s VAL 130 CO -0.01 0.40 0.63 -0.22 -3.33 0.00 0.00 175.10 172.57 2k5g s LEU 131 N 1.53 4.27 0.01 2.54 0.20 0.16 -2.36 118.68 125.03 2k5g s LEU 131 Ca 0.04 1.01 0.07 0.00 0.69 0.00 0.00 54.13 55.94 2k5g s LEU 131 Cb -0.13 -2.94 -0.02 0.00 -0.43 0.00 0.00 46.19 42.67 2k5g s LEU 131 CO -0.10 -0.12 -0.20 -0.89 -0.29 0.00 0.00 176.35 174.75 2k5g s THR 132 N 0.99 1.60 -0.17 3.68 2.01 0.54 -0.07 115.64 124.21 2k5g s THR 132 Ca 0.33 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 2k5g s THR 132 Cb -0.17 -1.36 0.06 0.00 0.01 0.00 0.00 72.50 71.05 2k5g s THR 132 CO 0.14 0.34 0.06 -2.28 -0.69 0.00 0.00 174.62 172.20 2k5g s HIS 133 N -0.61 0.54 0.46 4.92 5.04 0.42 0.11 115.29 126.17 2k5g s HIS 133 Ca 0.07 -0.51 0.05 0.00 -1.54 0.00 0.00 55.06 53.13 2k5g s HIS 133 Cb -0.08 -0.82 -0.03 0.00 0.04 0.00 0.00 32.58 31.68 2k5g s HIS 133 CO 0.00 -0.54 0.11 0.95 -2.34 0.00 0.00 174.74 172.92 2k5g s THR 134 N 2.02 1.76 -0.36 0.89 -4.23 -0.23 -2.70 115.64 112.79 2k5g s THR 134 Ca 0.01 -1.85 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 2k5g s THR 134 Cb -0.16 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.07 2k5g s THR 134 CO -0.08 0.00 0.14 0.54 -0.54 0.00 0.00 174.62 174.68 2k5g n ARG 135 N -1.25 -1.12 -2.62 3.99 1.74 -1.26 -1.49 116.66 114.65 2k5g n ARG 135 Ca -0.08 0.21 -0.42 0.00 -0.77 0.00 0.00 57.85 56.79 2k5g n ARG 135 Cb 0.66 -3.63 -0.03 0.00 -1.02 0.00 0.00 32.46 28.44 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 -1.93 4.26 0.24 0.55 1.43 -1.26 -4.59 118.68 117.38 2k5g s LEU 136 Ca 0.07 1.62 0.12 0.00 -1.03 0.00 0.00 54.13 54.91 2k5g s LEU 136 Cb -0.03 -3.56 0.17 0.00 0.03 0.00 0.00 46.19 42.80 2k5g s LEU 136 CO 0.09 -0.49 1.49 0.00 0.23 0.00 0.00 176.35 177.66 2k5g h ALA 137 N 7.21 0.71 -1.82 4.21 0.00 -1.98 -3.48 119.26 124.11 2k5g h ALA 137 Ca -0.32 -0.62 0.25 0.00 0.00 0.00 0.00 54.91 54.22 2k5g h ALA 137 Cb 1.15 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 2k5g h ALA 137 CO 0.86 0.85 0.68 0.34 0.00 0.00 0.00 179.25 181.99 2k5g s ASP 138 N -6.65 -0.13 0.60 0.00 2.15 -1.26 -5.00 116.67 106.37 2k5g s ASP 138 Ca 0.01 -0.20 0.34 0.00 0.43 0.00 0.00 52.55 53.13 2k5g s ASP 138 Cb 0.10 0.29 1.93 0.00 -0.30 0.00 0.00 42.92 44.94 2k5g s ASP 138 CO 0.76 -0.53 2.25 0.03 -0.17 0.00 0.00 175.17 177.52 2k5g h ARG 139 N 2.00 0.00 -0.54 4.34 3.08 -1.92 0.74 114.38 122.07 2k5g h ARG 139 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2k5g h ARG 139 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 2k5g h ARG 139 CO 0.27 0.02 0.35 0.00 -1.07 0.00 0.00 179.97 179.54 2k5g h ALA 140 N 1.98 1.59 -0.15 0.04 0.00 -1.97 0.32 119.26 121.06 2k5g h ALA 140 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2k5g h ALA 140 Cb 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2k5g h ALA 140 CO 0.00 0.37 -0.16 0.00 0.00 0.00 0.00 179.25 179.47 2k5g h ALA 141 N 1.64 0.22 -0.84 0.00 0.00 -1.25 0.29 119.26 119.32 2k5g h ALA 141 Ca 0.20 -0.34 0.15 0.00 0.00 0.00 0.00 54.91 54.92 2k5g h ALA 141 Cb -0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.59 2k5g h ALA 141 CO -0.04 0.12 0.42 0.52 0.00 0.00 0.00 179.25 180.27 2k5g h MET 142 N -0.00 0.58 0.00 0.00 2.07 -1.22 0.28 114.93 116.63 2k5g h MET 142 Ca 0.02 -0.03 -0.08 0.00 -2.07 0.00 0.00 59.70 57.54 2k5g h MET 142 Cb 0.70 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 30.29 2k5g h MET 142 CO 0.04 0.38 -0.39 -0.07 1.07 0.00 0.00 176.91 177.94 2k5g h LEU 143 N 0.59 0.00 -0.16 1.22 3.38 -0.04 0.27 115.31 120.57 2k5g h LEU 143 Ca 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.42 2k5g h LEU 143 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2k5g h LEU 143 CO -0.37 0.39 0.06 -0.78 0.09 0.00 0.00 178.44 177.82 2k5g h ASP 144 N 0.00 0.23 1.13 -0.43 3.58 0.32 -1.29 116.42 119.96 2k5g h ASP 144 Ca -0.00 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.26 2k5g h ASP 144 Cb 0.72 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2k5g h ASP 144 CO 0.05 0.35 -0.39 -0.37 -2.88 0.00 0.00 179.24 176.00 2k5g h VAL 145 N 0.09 0.00 0.13 2.25 -1.51 -1.23 -3.30 116.25 112.68 2k5g h VAL 145 Ca 0.05 -0.52 -0.01 0.00 -1.23 0.00 0.00 66.70 64.99 2k5g h VAL 145 Cb 0.20 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 2k5g h VAL 145 CO -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 177.57 176.28 2k5g h ALA 146 N 2.48 -0.17 -0.05 5.19 0.00 -0.12 0.22 119.26 126.81 2k5g h ALA 146 Ca 0.00 -0.13 -0.71 0.00 0.00 0.00 0.00 54.91 54.07 2k5g h ALA 146 Cb 0.76 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2k5g h ALA 146 CO 0.00 -0.49 3.17 0.41 0.00 0.00 0.00 179.25 182.34 2k5g n GLY 147 N -0.57 4.42 0.00 0.00 0.00 -0.52 -3.79 105.19 104.74 2k5g n GLY 147 Ca -0.09 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2k5g n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 148 N 3.95 1.29 0.11 -0.02 0.00 -1.24 -4.97 105.19 104.31 2k5g n GLY 148 Ca 0.55 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 0.29 -0.47 1.61 2.91 -1.03 -3.07 115.95 116.19 2k5g h TRP 149 Ca 0.00 -0.06 0.09 0.00 1.13 0.00 0.00 58.89 60.05 2k5g h TRP 149 Cb 0.00 -0.07 -0.09 0.00 -0.51 0.00 0.00 29.16 28.49 2k5g h TRP 149 CO 0.00 0.55 -0.15 1.25 -1.03 0.00 0.00 178.44 179.06 2k5g h HIS 150 N -0.06 -0.33 0.00 2.65 2.76 -0.78 -1.39 115.15 118.00 2k5g h HIS 150 Ca 0.03 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2k5g h HIS 150 Cb 0.46 0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.64 2k5g h HIS 150 CO 0.05 -0.23 -0.01 0.00 -1.30 0.00 0.00 177.93 176.45 2k5g h ALA 151 N 1.39 1.06 0.00 5.26 0.00 -1.71 -1.52 119.26 123.74 2k5g h ALA 151 Ca 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2k5g h ALA 151 Cb 0.38 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k5g h ALA 151 CO -0.50 0.01 -0.05 1.12 0.00 0.00 0.00 179.25 179.83 2k5g h HIS 152 N 0.00 0.00 0.00 0.00 2.07 -1.24 -1.08 115.15 114.90 2k5g h HIS 152 Ca -0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2k5g h HIS 152 Cb 0.08 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.06 2k5g h HIS 152 CO 0.00 0.05 -0.04 -0.07 -3.07 0.00 0.00 177.93 174.80 2k5g h LEU 153 N 0.00 0.00 0.02 6.12 -0.00 -1.42 0.11 115.31 120.15 2k5g h LEU 153 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2k5g h LEU 153 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 2k5g h LEU 153 CO 0.01 0.04 -0.01 0.00 -0.00 0.00 0.00 178.44 178.47 2k5g h ALA 154 N 1.96 -0.03 -0.62 1.53 0.00 -1.40 -2.86 119.26 117.85 2k5g h ALA 154 Ca -0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2k5g h ALA 154 Cb 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2k5g h ALA 154 CO 0.01 -0.14 0.15 0.28 0.00 0.00 0.00 179.25 179.55 2k5g h VAL 155 N -0.79 1.24 0.05 0.00 2.07 -1.53 -1.13 116.25 116.17 2k5g h VAL 155 Ca -0.00 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.66 2k5g h VAL 155 Cb 0.70 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2k5g h VAL 155 CO 0.01 0.33 -0.22 0.25 0.02 0.00 0.00 177.57 177.96 2k5g h LEU 156 N 0.92 -0.62 -0.55 2.57 7.12 -0.87 -0.22 115.31 123.65 2k5g h LEU 156 Ca 0.20 0.08 -0.06 0.00 0.13 0.00 0.00 57.88 58.23 2k5g h LEU 156 Cb 0.32 0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.68 2k5g h LEU 156 CO -0.00 -0.29 0.10 0.00 -0.13 0.00 0.00 178.44 178.11 2k5g h ALA 157 N 0.47 0.73 -0.63 1.25 0.00 -1.30 -1.15 119.26 118.63 2k5g h ALA 157 Ca 0.05 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k5g h ALA 157 Cb 0.42 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2k5g h ALA 157 CO -0.16 0.47 0.41 0.78 0.00 0.00 0.00 179.25 180.75 2k5g h GLY 158 N 0.80 0.88 1.71 0.00 0.00 -0.89 -0.02 103.07 105.55 2k5g h GLY 158 Ca 0.17 -0.33 -0.23 0.00 0.00 0.00 0.00 47.33 46.94 2k5g h GLY 158 CO 0.01 0.33 -1.01 0.50 0.00 0.00 0.00 176.54 176.37 2k5g h LYS 159 N 0.85 0.24 0.00 4.80 1.79 -0.95 -2.47 116.57 120.84 2k5g h LYS 159 Ca 0.23 -0.31 -0.05 0.00 -2.18 0.00 0.00 60.65 58.34 2k5g h LYS 159 Cb -0.09 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2k5g h LYS 159 CO -0.05 1.06 -0.24 -0.07 -1.08 0.00 0.00 179.45 179.08 2k5g h LEU 160 N 0.11 0.00 -0.64 2.94 3.38 -1.01 0.91 115.31 121.00 2k5g h LEU 160 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2k5g h LEU 160 Cb 1.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2k5g h LEU 160 CO 0.16 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.93 2k5g h ALA 161 N 1.76 1.00 0.00 1.53 0.00 -0.80 -3.45 119.26 119.30 2k5g h ALA 161 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k5g h ALA 161 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k5g h ALA 161 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2k5g n GLY 162 N 0.33 0.47 2.11 0.00 0.00 0.31 -5.05 105.19 103.37 2k5g n GLY 162 Ca 0.03 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 2k5g n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLN 163 N -1.61 1.03 -1.90 1.61 10.64 -0.95 -5.03 117.38 121.16 2k5g n GLN 163 Ca 0.00 -2.16 -0.37 0.00 -1.83 0.00 0.00 57.00 52.64 2k5g n GLN 163 Cb 0.31 0.83 0.04 0.00 -0.86 0.00 0.00 30.24 30.56 2k5g n GLN 163 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k5g s ALA 164 N -2.59 2.66 0.56 2.61 0.00 -1.26 -4.29 121.76 119.45 2k5g s ALA 164 Ca 0.05 1.16 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 2k5g s ALA 164 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2k5g s ALA 164 CO 0.04 -1.27 1.03 -2.14 0.00 0.00 0.00 175.76 173.42 2k5g s PRO 165 N -3.11 3.56 0.98 0.00 0.02 -1.26 -4.75 135.00 130.43 2k5g s PRO 165 Ca 0.75 1.12 -0.14 0.00 0.02 0.00 0.00 61.00 62.76 2k5g s PRO 165 Cb -0.35 -2.07 0.18 0.00 0.02 0.00 0.00 34.50 32.27 2k5g s PRO 165 CO 0.40 -0.61 1.14 -1.25 -0.33 0.00 0.00 177.00 176.35 2k5g s PRO 166 N -4.04 0.57 -0.74 5.54 0.04 -1.26 -4.95 135.00 130.15 2k5g s PRO 166 Ca 0.62 0.22 -0.26 0.00 0.04 0.00 0.00 61.00 61.62 2k5g s PRO 166 Cb -0.14 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2k5g s PRO 166 CO 0.34 -2.57 1.60 -2.14 0.04 0.00 0.00 177.00 174.28 2k5g s PRO 167 N -5.28 2.94 -1.20 0.56 0.02 -1.26 -4.90 135.00 125.88 2k5g s PRO 167 Ca 0.66 -0.03 -0.20 0.00 0.02 0.00 0.00 61.00 61.45 2k5g s PRO 167 Cb -0.14 -4.51 -0.02 0.00 0.02 0.00 0.00 34.50 29.84 2k5g s PRO 167 CO 0.55 -2.53 1.90 0.34 -0.33 0.00 0.00 177.00 176.92 2k5g n PHE 168 N 11.18 3.42 0.00 6.54 -0.00 -1.26 -2.95 117.46 134.39 2k5g n PHE 168 Ca 0.18 -2.21 0.00 0.00 -0.00 0.00 0.00 57.45 55.42 2k5g n PHE 168 Cb 0.50 -2.49 0.00 0.00 -0.00 0.00 0.00 39.48 37.49 2k5g n PHE 168 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.76 178.63 2k5g n TRP 169 N 10.19 -1.37 -0.03 -5.13 -0.00 -1.26 -4.83 117.44 115.01 2k5g n TRP 169 Ca 0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.87 2k5g n TRP 169 Cb 0.45 0.27 -0.05 0.00 -0.00 0.00 0.00 31.31 31.98 2k5g n TRP 169 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 177.69 178.84 2k5g h THR 170 N 0.00 1.10 -0.38 5.87 2.02 -1.97 -1.60 112.91 117.96 2k5g h THR 170 Ca 0.00 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2k5g h THR 170 Cb 0.00 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2k5g h THR 170 CO 0.00 0.09 0.15 0.74 0.37 0.00 0.00 175.52 176.87 2k5g h THR 171 N 0.13 1.15 0.85 3.16 2.02 -1.92 -0.27 112.91 118.02 2k5g h THR 171 Ca 0.05 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 2k5g h THR 171 Cb 0.08 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2k5g h THR 171 CO -0.01 0.18 -0.41 0.25 0.37 0.00 0.00 175.52 175.90 2k5g h LEU 172 N 0.53 -0.97 -0.75 2.58 5.85 -1.76 -0.54 115.31 120.25 2k5g h LEU 172 Ca 0.13 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2k5g h LEU 172 Cb 0.11 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2k5g h LEU 172 CO -0.01 -0.69 0.35 0.00 -0.34 0.00 0.00 178.44 177.75 2k5g h ALA 173 N -1.46 0.97 -0.73 1.25 0.00 -1.20 -1.48 119.26 116.62 2k5g h ALA 173 Ca -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2k5g h ALA 173 Cb 0.88 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2k5g h ALA 173 CO 0.19 0.54 0.41 0.37 0.00 0.00 0.00 179.25 180.77 2k5g h GLN 174 N 1.06 1.00 -0.36 0.00 4.15 -1.05 0.22 115.11 120.14 2k5g h GLN 174 Ca 0.26 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.52 2k5g h GLN 174 Cb 0.14 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2k5g h GLN 174 CO -0.03 0.73 0.04 0.00 -1.93 0.00 0.00 178.83 177.65 2k5g h ALA 175 N 1.21 0.47 -0.06 3.38 0.00 -0.78 0.17 119.26 123.65 2k5g h ALA 175 Ca 0.26 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2k5g h ALA 175 Cb 0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2k5g h ALA 175 CO -0.04 0.19 -0.16 0.93 0.00 0.00 0.00 179.25 180.17 2k5g h GLU 176 N 0.43 -0.22 -0.69 0.00 4.39 -0.84 -1.44 114.58 116.21 2k5g h GLU 176 Ca 0.11 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 2k5g h GLU 176 Cb 0.38 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 2k5g h GLU 176 CO 0.01 -0.15 0.21 1.96 -1.16 0.00 0.00 179.01 179.89 2k5g h GLN 177 N -0.23 1.06 0.34 2.33 1.08 -0.42 -0.05 115.11 119.22 2k5g h GLN 177 Ca 0.07 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 2k5g h GLN 177 Cb 0.33 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2k5g h GLN 177 CO -0.20 0.90 -0.16 0.22 -0.95 0.00 0.00 178.83 178.64 2k5g h ASP 178 N 1.02 -0.39 1.60 1.46 3.58 -0.39 -1.89 116.42 121.41 2k5g h ASP 178 Ca 0.22 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 2k5g h ASP 178 Cb 0.29 0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.43 2k5g h ASP 178 CO -0.01 -0.13 -0.16 1.88 -2.88 0.00 0.00 179.24 177.94 2k5g h TYR 179 N -0.65 0.00 0.00 0.28 -1.99 -1.24 -2.46 116.97 110.91 2k5g h TYR 179 Ca -0.05 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 2k5g h TYR 179 Cb 0.46 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.19 2k5g h TYR 179 CO -0.01 0.16 -0.16 0.93 -0.00 0.00 0.00 178.16 179.08 2k5g h GLU 180 N 0.00 0.00 0.00 4.88 4.39 -0.97 -2.66 114.58 120.22 2k5g h GLU 180 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 2k5g h GLU 180 Cb 1.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 2k5g h GLU 180 CO 0.02 0.16 -0.49 0.37 -1.16 0.00 0.00 179.01 177.91 2k5g h GLN 181 N 0.00 0.00 -2.07 2.33 5.75 -0.85 -3.29 115.11 116.98 2k5g h GLN 181 Ca -0.00 0.00 -0.45 0.00 -0.15 0.00 0.00 58.65 58.05 2k5g h GLN 181 Cb 0.83 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.24 2k5g h GLN 181 CO 0.02 0.49 0.44 0.54 -2.65 0.00 0.00 178.83 177.68 2k5g n ARG 182 N -3.75 2.51 -2.03 1.69 1.74 -1.00 -4.95 116.66 110.86 2k5g n ARG 182 Ca -0.01 -2.10 -0.30 0.00 -0.77 0.00 0.00 57.85 54.67 2k5g n ARG 182 Cb 0.54 -2.16 0.02 0.00 -1.02 0.00 0.00 32.46 29.84 2k5g n ARG 182 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2k5g s LEU 183 N -1.58 3.23 -0.30 0.55 0.05 -1.24 -5.04 118.68 114.34 2k5g s LEU 183 Ca 0.61 1.24 -0.12 0.00 0.05 0.00 0.00 54.13 55.90 2k5g s LEU 183 Cb 0.35 -4.21 0.15 0.00 -2.05 0.00 0.00 46.19 40.44 2k5g s LEU 183 CO -0.16 -0.93 0.85 -0.22 -0.55 0.00 0.00 176.35 175.35 2k5g s LEU 184 N -5.13 -0.82 -0.33 1.48 2.96 -1.26 -5.13 118.68 110.44 2k5g s LEU 184 Ca 0.54 1.06 -0.05 0.00 -0.22 0.00 0.00 54.13 55.46 2k5g s LEU 184 Cb -0.11 1.91 0.04 0.00 0.50 0.00 0.00 46.19 48.53 2k5g s LEU 184 CO 0.51 -0.16 0.08 -0.70 -1.32 0.00 0.00 176.35 174.77 2k5g s GLU 185 N 2.66 2.57 -0.36 1.98 -6.30 -1.26 -5.02 118.70 112.97 2k5g s GLU 185 Ca -0.02 -1.20 0.00 0.00 -2.50 0.00 0.00 54.97 51.24 2k5g s GLU 185 Cb -0.09 -3.40 0.13 0.00 0.00 0.00 0.00 34.13 30.77 2k5g s GLU 185 CO -0.18 -0.66 0.19 -1.58 0.02 0.00 0.00 175.26 173.05 2k5g s HIS 186 N 1.37 1.22 0.30 5.30 2.46 -1.26 -5.12 115.29 119.55 2k5g s HIS 186 Ca -0.02 -1.79 -0.29 0.00 0.47 0.00 0.00 55.06 53.42 2k5g s HIS 186 Cb -0.20 -1.34 -0.10 0.00 -0.13 0.00 0.00 32.58 30.81 2k5g s HIS 186 CO 0.02 -0.82 1.21 -1.01 -2.47 0.00 0.00 174.74 171.66 2k5g s HIS 187 N 1.07 3.32 -0.06 3.88 3.76 -1.26 -5.05 115.29 120.95 2k5g s HIS 187 Ca 0.15 1.54 0.04 0.00 -0.15 0.00 0.00 55.06 56.64 2k5g s HIS 187 Cb -0.22 -3.48 0.00 0.00 1.11 0.00 0.00 32.58 29.99 2k5g s HIS 187 CO -0.08 -1.23 -0.17 -3.38 -0.85 0.00 0.00 174.74 169.03 2k5g s HIS 188 N -1.06 1.83 0.61 1.40 -3.43 -1.26 -5.13 115.29 108.26 2k5g s HIS 188 Ca 0.47 -0.63 -0.17 0.00 -0.80 0.00 0.00 55.06 53.93 2k5g s HIS 188 Cb -0.36 -1.26 -0.02 0.00 -1.43 0.00 0.00 32.58 29.51 2k5g s HIS 188 CO 0.46 -0.25 1.15 -3.38 -2.00 0.00 0.00 174.74 170.72 2k5g s HIS 189 N 0.29 2.50 0.07 0.38 -3.43 -1.26 -5.04 115.29 108.80 2k5g s HIS 189 Ca -0.10 1.55 0.05 0.00 -0.80 0.00 0.00 55.06 55.76 2k5g s HIS 189 Cb -0.14 -3.33 -0.03 0.00 -1.43 0.00 0.00 32.58 27.65 2k5g s HIS 189 CO 0.04 -1.91 -0.15 -3.38 -2.00 0.00 0.00 174.74 167.35 2k5g s HIS 190 N -1.91 1.27 0.00 0.38 -3.43 -1.26 -5.35 115.29 105.00 2k5g s HIS 190 Ca 0.73 -0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.56 2k5g s HIS 190 Cb -0.25 -0.72 0.00 0.00 -1.43 0.00 0.00 32.58 30.17 2k5g s HIS 190 CO 0.35 0.07 0.00 0.72 -2.00 0.00 0.00 174.74 173.87