#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 0.01 -0.75 2.03 2.01 -1.26 -5.11 115.64 112.56 2k5g s THR 2 Ca 0.00 -0.05 -0.06 0.00 0.31 0.00 0.00 61.69 61.89 2k5g s THR 2 Cb 0.00 -0.96 0.19 0.00 0.01 0.00 0.00 72.50 71.75 2k5g s THR 2 CO 0.00 -0.03 0.62 -0.44 -0.69 0.00 0.00 174.62 174.08 2k5g s SER 3 N -1.12 5.86 0.00 3.53 0.01 -1.26 -4.87 113.70 115.85 2k5g s SER 3 Ca -0.11 -3.03 0.18 0.00 1.31 0.00 0.00 55.95 54.30 2k5g s SER 3 Cb -0.01 -1.97 0.51 0.00 0.21 0.00 0.00 66.02 64.76 2k5g s SER 3 CO 0.09 -0.38 1.42 -0.81 0.41 0.00 0.00 173.24 173.97 2k5g n PRO 4 N 3.33 2.30 0.16 12.44 -0.04 -1.26 -4.27 135.00 147.66 2k5g n PRO 4 Ca 0.13 -2.01 0.03 0.00 -0.04 0.00 0.00 63.50 61.60 2k5g n PRO 4 Cb 0.40 -1.44 0.20 0.00 -0.04 0.00 0.00 33.50 32.62 2k5g n PRO 4 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2k5g h SER 5 N 3.33 0.00 -0.80 3.54 4.64 -2.00 -3.40 113.55 118.85 2k5g h SER 5 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2k5g h SER 5 Cb 0.76 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.78 2k5g h SER 5 CO 0.00 0.49 1.69 -0.44 -0.87 0.00 0.00 176.83 177.71 2k5g s SER 6 N -6.51 6.21 0.00 4.97 0.01 -1.26 -4.32 113.70 112.80 2k5g s SER 6 Ca 0.01 -1.94 0.00 0.00 1.31 0.00 0.00 55.95 55.32 2k5g s SER 6 Cb 0.10 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2k5g s SER 6 CO 0.72 -1.81 0.05 0.00 0.41 0.00 0.00 173.24 172.61 2k5g n ALA 7 N 10.36 0.80 -3.61 1.44 0.00 -1.26 -5.00 120.51 123.23 2k5g n ALA 7 Ca 0.44 -0.05 -0.29 0.00 0.00 0.00 0.00 53.44 53.55 2k5g n ALA 7 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 2k5g n ALA 7 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2k5g s PHE 8 N -0.28 0.83 -0.10 0.00 5.36 -1.26 -5.10 117.98 117.42 2k5g s PHE 8 Ca 0.00 -1.18 -0.17 0.00 -0.96 0.00 0.00 56.93 54.62 2k5g s PHE 8 Cb 0.00 -1.19 -0.05 0.00 -0.34 0.00 0.00 43.02 41.44 2k5g s PHE 8 CO 0.00 -0.84 0.42 -1.25 -1.46 0.00 0.00 175.22 172.09 2k5g s PRO 9 N 1.92 4.24 0.67 10.12 0.04 -1.26 -4.50 135.00 146.23 2k5g s PRO 9 Ca 0.09 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.39 2k5g s PRO 9 Cb -0.16 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 2k5g s PRO 9 CO -0.32 0.29 1.06 0.34 0.04 0.00 0.00 177.00 178.41 2k5g s ASP 10 N 0.23 5.71 -0.21 6.66 -1.08 -1.26 -4.99 116.67 121.73 2k5g s ASP 10 Ca 0.23 1.33 0.21 0.00 -0.52 0.00 0.00 52.55 53.80 2k5g s ASP 10 Cb -0.15 -2.24 0.45 0.00 -1.46 0.00 0.00 42.92 39.52 2k5g s ASP 10 CO 0.10 -1.20 1.18 0.61 0.52 0.00 0.00 175.17 176.38 2k5g n GLY 11 N -2.70 1.62 3.56 2.66 0.00 -1.26 -4.47 105.19 104.59 2k5g n GLY 11 Ca 0.07 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 2k5g n GLY 11 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k5g s HIS 12 N -2.30 2.88 -0.23 1.61 -3.43 -1.26 -5.10 115.29 107.46 2k5g s HIS 12 Ca 0.24 -0.03 -0.04 0.00 -0.80 0.00 0.00 55.06 54.43 2k5g s HIS 12 Cb 0.34 -1.69 0.08 0.00 -1.43 0.00 0.00 32.58 29.87 2k5g s HIS 12 CO -0.08 0.29 0.10 0.20 -2.00 0.00 0.00 174.74 173.26 2k5g s GLY 13 N -0.77 0.48 -0.15 -1.38 0.00 -1.26 -4.90 107.32 99.34 2k5g s GLY 13 Ca 0.12 -0.74 -0.19 0.00 0.00 0.00 0.00 44.72 43.91 2k5g s GLY 13 CO 0.01 1.84 0.50 0.00 0.00 0.00 0.00 173.10 175.45 2k5g s ALA 14 N 2.07 -1.25 -0.38 3.20 0.00 -1.26 -5.13 121.76 119.01 2k5g s ALA 14 Ca 0.05 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.33 2k5g s ALA 14 Cb -0.16 -0.63 0.18 0.00 0.00 0.00 0.00 23.12 22.51 2k5g s ALA 14 CO -0.21 -0.26 0.73 0.50 0.00 0.00 0.00 175.76 176.52 2k5g s ARG 15 N -0.08 0.65 -0.29 0.00 6.06 -1.26 -5.09 118.95 118.92 2k5g s ARG 15 Ca -0.03 -0.15 -0.00 0.00 -2.50 0.00 0.00 55.73 53.05 2k5g s ARG 15 Cb -0.03 0.09 0.19 0.00 0.06 0.00 0.00 34.95 35.26 2k5g s ARG 15 CO 0.02 -0.96 0.73 -1.17 -2.50 0.00 0.00 175.30 171.42 2k5g s LEU 16 N 1.97 -1.24 -0.15 -0.88 1.98 -1.26 -4.96 118.68 114.15 2k5g s LEU 16 Ca 0.16 0.25 -0.03 0.00 -2.89 0.00 0.00 54.13 51.62 2k5g s LEU 16 Cb -0.03 1.83 -0.08 0.00 0.66 0.00 0.00 46.19 48.57 2k5g s LEU 16 CO -0.10 -0.23 -0.16 -0.90 -1.89 0.00 0.00 176.35 173.07 2k5g n ASP 17 N 5.35 2.11 -1.71 3.68 5.75 -1.26 -5.12 116.55 125.35 2k5g n ASP 17 Ca 0.05 0.04 -0.02 0.00 -0.01 0.00 0.00 54.79 54.84 2k5g n ASP 17 Cb 0.55 -0.32 0.01 0.00 -1.03 0.00 0.00 41.12 40.32 2k5g n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k5g n ALA 18 N -3.25 -0.79 0.35 2.12 0.00 -1.26 -4.99 120.51 112.69 2k5g n ALA 18 Ca -0.28 -0.38 0.14 0.00 0.00 0.00 0.00 53.44 52.93 2k5g n ALA 18 Cb 0.75 0.25 0.48 0.00 0.00 0.00 0.00 19.45 20.93 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 -5.74 0.00 1.08 -2.03 -3.43 115.11 104.99 2k5g h GLN 19 Ca -0.10 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.50 2k5g h GLN 19 Cb 0.41 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.74 2k5g h GLN 19 CO 0.13 0.00 -0.50 -1.12 -0.95 0.00 0.00 178.83 176.39 2k5g s SER 20 N -5.27 4.27 -0.26 1.46 0.01 -1.26 -4.64 113.70 108.02 2k5g s SER 20 Ca 0.05 -1.25 -0.10 0.00 1.31 0.00 0.00 55.95 55.96 2k5g s SER 20 Cb 0.09 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 66.05 2k5g s SER 20 CO 0.54 -0.63 0.16 -0.63 0.41 0.00 0.00 173.24 173.09 2k5g s ILE 21 N -2.68 5.15 -0.27 1.44 -1.09 -1.21 -4.83 121.20 117.70 2k5g s ILE 21 Ca 0.34 0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.85 2k5g s ILE 21 Cb 0.04 -3.42 0.16 0.00 -1.58 0.00 0.00 42.46 37.66 2k5g s ILE 21 CO 0.18 0.30 0.47 0.00 -1.23 0.00 0.00 174.94 174.67 2k5g s ARG 22 N 1.44 0.44 -0.08 2.79 1.04 -1.25 0.49 118.95 123.83 2k5g s ARG 22 Ca 0.07 0.69 -0.00 0.00 -1.04 0.00 0.00 55.73 55.45 2k5g s ARG 22 Cb -0.15 -0.04 -0.03 0.00 -2.04 0.00 0.00 34.95 32.69 2k5g s ARG 22 CO 0.07 -0.67 -0.05 -0.06 -0.04 0.00 0.00 175.30 174.55 2k5g s PHE 23 N 2.68 2.99 -0.13 5.89 0.08 0.14 -4.90 117.98 124.73 2k5g s PHE 23 Ca 0.16 0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.25 2k5g s PHE 23 Cb -0.15 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.57 2k5g s PHE 23 CO -0.19 0.33 -0.13 -1.83 -0.10 0.00 0.00 175.22 173.30 2k5g s GLU 24 N -0.73 2.10 0.04 0.44 -1.05 -1.26 0.17 118.70 118.41 2k5g s GLU 24 Ca 0.11 -0.49 0.03 0.00 -0.15 0.00 0.00 54.97 54.47 2k5g s GLU 24 Cb -0.11 -1.92 -0.02 0.00 -0.44 0.00 0.00 34.13 31.64 2k5g s GLU 24 CO 0.02 -0.19 -0.10 1.03 0.95 0.00 0.00 175.26 176.97 2k5g s ARG 25 N 1.37 0.66 -0.21 -4.83 1.81 0.45 -4.98 118.95 113.22 2k5g s ARG 25 Ca 0.01 -0.73 -0.11 0.00 -1.72 0.00 0.00 55.73 53.18 2k5g s ARG 25 Cb -0.13 -0.55 -0.05 0.00 -0.45 0.00 0.00 34.95 33.76 2k5g s ARG 25 CO -0.07 0.12 0.20 -1.17 -0.68 0.00 0.00 175.30 173.70 2k5g s LEU 26 N -1.34 4.18 0.08 2.53 1.98 -1.26 -0.20 118.68 124.65 2k5g s LEU 26 Ca -0.04 0.27 0.08 0.00 -2.89 0.00 0.00 54.13 51.54 2k5g s LEU 26 Cb -0.09 -2.19 -0.04 0.00 0.66 0.00 0.00 46.19 44.54 2k5g s LEU 26 CO 0.01 0.10 -0.19 -0.76 -1.89 0.00 0.00 176.35 173.62 2k5g s LEU 27 N 0.71 2.61 0.32 -0.68 2.01 0.62 -4.99 118.68 119.29 2k5g s LEU 27 Ca 0.10 -0.50 -0.27 0.00 0.01 0.00 0.00 54.13 53.48 2k5g s LEU 27 Cb -0.13 -1.50 -0.09 0.00 0.01 0.00 0.00 46.19 44.47 2k5g s LEU 27 CO 0.02 0.22 0.99 -2.16 1.01 0.00 0.00 176.35 176.43 2k5g s PRO 28 N -1.73 4.54 0.00 1.29 0.04 -1.26 -1.32 135.00 136.55 2k5g s PRO 28 Ca 0.16 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2k5g s PRO 28 Cb -0.10 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2k5g s PRO 28 CO 0.07 0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.73 2k5g n GLY 29 N 0.73 2.51 0.31 0.56 0.00 -0.94 -4.68 105.19 103.68 2k5g n GLY 29 Ca 0.02 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.65 0.00 1.61 0.13 -1.78 -2.84 132.00 128.47 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 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.28 2k5g h PRO 30 CO 0.00 -0.43 0.00 1.51 -0.23 0.00 0.00 178.00 178.85 2k5g n ILE 31 N -5.40 0.00 -0.22 -3.56 3.06 -1.26 -4.01 119.36 107.97 2k5g n ILE 31 Ca -0.11 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.07 2k5g n ILE 31 Cb 0.30 0.00 0.03 0.00 0.54 0.00 0.00 39.64 40.52 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 0.86 -0.73 9.51 4.39 -1.95 0.24 114.58 126.90 2k5g h GLU 32 Ca 0.00 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 2k5g h GLU 32 Cb 0.00 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 2k5g h GLU 32 CO 0.00 0.66 0.45 -0.09 -1.16 0.00 0.00 179.01 178.87 2k5g h ARG 33 N 0.83 0.98 0.09 2.33 1.12 -1.93 0.13 114.38 117.94 2k5g h ARG 33 Ca 0.21 -0.08 -0.29 0.00 -1.11 0.00 0.00 59.98 58.72 2k5g h ARG 33 Cb 0.06 -0.21 0.02 0.00 -0.01 0.00 0.00 29.97 29.83 2k5g h ARG 33 CO -0.03 0.68 -1.19 0.28 -3.11 0.00 0.00 179.97 176.60 2k5g h VAL 34 N 1.00 1.31 -0.10 0.20 2.07 -1.72 -3.20 116.25 115.81 2k5g h VAL 34 Ca 0.26 -2.46 -0.03 0.00 0.82 0.00 0.00 66.70 65.29 2k5g h VAL 34 Cb -0.06 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2k5g h VAL 34 CO -0.05 0.75 -0.08 -0.25 0.02 0.00 0.00 177.57 177.95 2k5g h TRP 35 N 0.28 0.16 -0.97 1.57 2.91 -0.06 -3.09 115.95 116.76 2k5g h TRP 35 Ca -0.17 -0.01 0.21 0.00 1.13 0.00 0.00 58.89 60.05 2k5g h TRP 35 Cb 1.85 -0.05 -0.11 0.00 -0.51 0.00 0.00 29.16 30.34 2k5g h TRP 35 CO 0.10 0.24 0.55 0.00 -1.03 0.00 0.00 178.44 178.31 2k5g h ALA 36 N 1.77 1.62 0.00 2.65 0.00 -0.74 0.35 119.26 124.91 2k5g h ALA 36 Ca 0.03 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2k5g h ALA 36 Cb 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2k5g h ALA 36 CO 0.01 -0.17 -0.50 -1.49 0.00 0.00 0.00 179.25 177.10 2k5g h TRP 37 N 0.63 0.00 -0.14 0.00 -0.00 -1.71 -0.17 115.95 114.56 2k5g h TRP 37 Ca 0.58 0.00 -0.15 0.00 -0.00 0.00 0.00 58.89 59.32 2k5g h TRP 37 Cb 0.99 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.14 2k5g h TRP 37 CO -0.04 0.50 -0.54 -0.07 -0.00 0.00 0.00 178.44 178.30 2k5g h LEU 38 N 0.00 0.46 0.00 -4.49 3.38 -0.53 -3.35 115.31 110.78 2k5g h LEU 38 Ca -0.01 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 2k5g h LEU 38 Cb 1.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2k5g h LEU 38 CO 0.07 0.91 -0.59 0.00 0.09 0.00 0.00 178.44 178.92 2k5g h ALA 39 N 1.10 0.11 -1.75 1.53 0.00 -0.85 -3.44 119.26 115.96 2k5g h ALA 39 Ca 0.01 -0.74 -0.52 0.00 0.00 0.00 0.00 54.91 53.66 2k5g h ALA 39 Cb 1.05 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2k5g h ALA 39 CO 0.09 0.36 1.53 0.34 0.00 0.00 0.00 179.25 181.58 2k5g s ASP 40 N -6.33 4.98 0.34 0.00 2.15 -0.09 -4.81 116.67 112.91 2k5g s ASP 40 Ca -0.20 1.31 0.26 0.00 0.43 0.00 0.00 52.55 54.35 2k5g s ASP 40 Cb 0.02 -2.51 1.16 0.00 -0.30 0.00 0.00 42.92 41.29 2k5g s ASP 40 CO 0.50 -2.42 1.78 0.00 -0.17 0.00 0.00 175.17 174.86 2k5g h ALA 41 N 17.06 1.00 0.37 3.66 0.00 -1.86 -0.16 119.26 139.34 2k5g h ALA 41 Ca -0.31 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2k5g h ALA 41 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2k5g h ALA 41 CO 1.08 0.00 -0.18 0.22 0.00 0.00 0.00 179.25 180.38 2k5g h ASP 42 N 0.00 -0.42 0.77 0.00 3.58 -1.94 -2.79 116.42 115.62 2k5g h ASP 42 Ca 0.00 -0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.26 2k5g h ASP 42 Cb 0.29 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2k5g h ASP 42 CO 0.00 0.03 -0.45 0.07 -2.88 0.00 0.00 179.24 176.01 2k5g h LYS 43 N -1.05 0.00 0.00 0.28 2.10 -1.87 -2.83 116.57 113.20 2k5g h LYS 43 Ca -0.05 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2k5g h LYS 43 Cb 0.49 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2k5g h LYS 43 CO 0.08 0.45 -0.02 -0.09 -2.00 0.00 0.00 179.45 177.88 2k5g h ARG 44 N 0.00 0.00 -0.00 0.07 2.43 -1.04 0.47 114.38 116.31 2k5g h ARG 44 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k5g h ARG 44 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2k5g h ARG 44 CO 0.06 0.02 -0.06 0.00 -1.51 0.00 0.00 179.97 178.48 2k5g n ALA 45 N -2.27 2.64 -0.92 2.80 0.00 -1.06 -0.03 120.51 121.67 2k5g n ALA 45 Ca -0.03 -0.20 0.08 0.00 0.00 0.00 0.00 53.44 53.29 2k5g n ALA 45 Cb 0.11 -1.41 0.20 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 -1.14 2.36 0.00 0.00 3.00 0.16 -4.53 116.66 116.51 2k5g n ARG 46 Ca 0.14 -2.64 0.00 0.00 -0.01 0.00 0.00 57.85 55.35 2k5g n ARG 46 Cb 0.26 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 31.07 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 -0.76 0.00 0.00 -1.55 4.27 -1.12 -4.95 117.44 113.32 2k5g n TRP 47 Ca 0.18 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.78 2k5g n TRP 47 Cb 0.74 0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 30.69 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 -0.36 0.52 0.00 5.67 -0.00 0.35 -4.54 117.00 118.64 2k5g n LEU 48 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 2k5g n LEU 48 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 2k5g n LEU 48 CO 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 177.39 176.85 2k5g n ALA 49 N -2.99 0.00 0.00 1.96 0.00 0.95 -4.71 120.51 115.73 2k5g n ALA 49 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k5g n ALA 49 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2k5g n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 50 N 0.00 0.71 0.69 0.00 0.00 -0.95 -4.16 105.19 101.48 2k5g n GLY 50 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2k5g n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 51 N 0.00 -1.76 3.97 -0.02 0.00 -1.26 -4.48 105.19 101.63 2k5g n GLY 51 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.75 1.39 0.21 1.61 -1.05 -1.26 -4.80 118.70 113.05 2k5g s GLU 52 Ca 0.00 -0.79 -0.19 0.00 -0.15 0.00 0.00 54.97 53.84 2k5g s GLU 52 Cb 0.00 -2.15 -0.08 0.00 -0.44 0.00 0.00 34.13 31.46 2k5g s GLU 52 CO 0.00 -1.75 0.70 -0.51 0.95 0.00 0.00 175.26 174.65 2k5g s LEU 53 N -5.40 4.33 0.00 1.83 1.43 -1.26 -4.66 118.68 114.95 2k5g s LEU 53 Ca 0.68 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 2k5g s LEU 53 Cb -0.05 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2k5g s LEU 53 CO 0.47 0.04 0.00 -0.81 0.23 0.00 0.00 176.35 176.28 2k5g n PRO 54 N 0.70 1.09 -0.07 1.29 -0.04 -1.26 -5.06 135.00 131.64 2k5g n PRO 54 Ca -0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 2k5g n PRO 54 Cb 0.51 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.92 2k5g n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k5g h ARG 55 N 0.00 0.00 -5.87 0.54 2.47 -1.98 -3.47 114.38 106.08 2k5g h ARG 55 Ca 0.00 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.09 2k5g h ARG 55 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 2k5g h ARG 55 CO 0.00 0.41 -0.39 -0.65 0.56 0.00 0.00 179.97 179.90 2k5g s GLN 56 N -2.04 3.58 0.49 0.04 -0.21 -1.26 -5.10 119.66 115.15 2k5g s GLN 56 Ca -0.14 -0.06 -0.19 0.00 0.02 0.00 0.00 55.36 54.99 2k5g s GLN 56 Cb 0.01 -3.11 -0.09 0.00 1.00 0.00 0.00 33.01 30.83 2k5g s GLN 56 CO 0.32 0.67 1.00 -2.14 -2.12 0.00 0.00 175.29 173.02 2k5g s PRO 57 N -1.60 3.93 0.00 2.91 0.02 -1.26 -3.59 135.00 135.40 2k5g s PRO 57 Ca 0.25 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.42 2k5g s PRO 57 Cb -0.13 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.26 2k5g s PRO 57 CO 0.14 -0.30 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 2k5g n GLY 58 N -0.83 2.38 0.91 0.52 0.00 -0.12 -5.01 105.19 103.04 2k5g n GLY 58 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 2k5g n GLY 58 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k5g n GLN 59 N -2.00 0.18 -4.72 1.61 6.02 -1.24 -4.72 117.38 112.52 2k5g n GLN 59 Ca 0.00 -0.59 -0.33 0.00 -0.01 0.00 0.00 57.00 56.07 2k5g n GLN 59 Cb 0.00 -0.21 -0.12 0.00 1.02 0.00 0.00 30.24 30.92 2k5g n GLN 59 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2k5g s THR 60 N -0.95 3.43 0.42 5.09 -4.23 -1.26 -1.43 115.64 116.71 2k5g s THR 60 Ca 0.16 -0.57 0.07 0.00 -1.18 0.00 0.00 61.69 60.17 2k5g s THR 60 Cb -0.01 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 2k5g s THR 60 CO 0.11 0.58 0.21 0.72 -0.54 0.00 0.00 174.62 175.70 2k5g s PHE 61 N -0.55 2.56 -0.33 3.99 -0.71 0.90 -4.84 117.98 119.01 2k5g s PHE 61 Ca 0.08 -0.59 -0.12 0.00 -1.04 0.00 0.00 56.93 55.25 2k5g s PHE 61 Cb -0.12 -1.98 -0.02 0.00 -1.21 0.00 0.00 43.02 39.69 2k5g s PHE 61 CO 0.02 0.11 0.23 -1.21 -1.34 0.00 0.00 175.22 173.03 2k5g s GLU 62 N -3.95 3.56 -0.09 1.99 2.02 -1.26 -0.17 118.70 120.80 2k5g s GLU 62 Ca 0.41 -0.60 -0.06 0.00 0.02 0.00 0.00 54.97 54.75 2k5g s GLU 62 Cb 0.03 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 2k5g s GLU 62 CO 0.23 -0.40 0.14 -1.17 0.02 0.00 0.00 175.26 174.08 2k5g s LEU 63 N 1.72 4.31 -0.55 1.80 2.96 0.39 -4.07 118.68 125.24 2k5g s LEU 63 Ca 0.06 0.41 -0.22 0.00 -0.22 0.00 0.00 54.13 54.17 2k5g s LEU 63 Cb -0.17 -2.16 0.05 0.00 0.50 0.00 0.00 46.19 44.41 2k5g s LEU 63 CO 0.10 0.37 0.82 -2.28 -1.32 0.00 0.00 176.35 174.05 2k5g s HIS 64 N -1.08 2.88 -0.40 5.38 5.65 -1.26 -1.41 115.29 125.04 2k5g s HIS 64 Ca 0.18 -0.32 0.25 0.00 0.25 0.00 0.00 55.06 55.41 2k5g s HIS 64 Cb -0.12 -3.90 1.03 0.00 -1.18 0.00 0.00 32.58 28.41 2k5g s HIS 64 CO 0.07 -1.27 1.75 0.35 -0.65 0.00 0.00 174.74 174.99 2k5g h PHE 65 N 9.22 0.00 -2.76 3.88 3.57 -0.55 -3.36 116.94 126.95 2k5g h PHE 65 Ca -0.27 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.67 2k5g h PHE 65 Cb 1.08 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 2k5g h PHE 65 CO 0.86 0.00 1.06 1.21 -2.23 0.00 0.00 178.31 179.21 2k5g s ASN 66 N -4.45 6.62 -0.10 0.41 3.84 -1.23 -4.84 114.94 115.19 2k5g s ASN 66 Ca 0.04 1.84 0.16 0.00 0.21 0.00 0.00 52.86 55.10 2k5g s ASN 66 Cb 0.09 -2.53 0.35 0.00 -0.55 0.00 0.00 41.25 38.61 2k5g s ASN 66 CO 0.42 -1.02 1.16 0.00 -2.79 0.00 0.00 177.10 174.87 2k5g n HIS 67 N 7.55 0.00 -1.66 0.43 1.44 -1.10 -4.52 115.22 117.35 2k5g n HIS 67 Ca 0.17 -0.90 0.04 0.00 -2.01 0.00 0.00 57.72 55.02 2k5g n HIS 67 Cb 0.44 -0.18 0.06 0.00 0.12 0.00 0.00 29.99 30.44 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k5g n ALA 68 N -0.49 2.20 0.38 1.59 0.00 -1.24 -4.88 120.51 118.07 2k5g n ALA 68 Ca 0.12 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.75 2k5g n ALA 68 Cb 0.84 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.57 2.73 0.00 0.00 0.00 -1.26 -2.71 120.51 118.70 2k5g n ALA 69 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2k5g n ALA 69 Cb 0.70 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2k5g n ALA 69 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2k5g n LEU 70 N 0.95 0.00 0.00 0.00 -0.00 -1.26 -4.95 117.00 111.73 2k5g n LEU 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2k5g n LEU 70 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 2k5g n LEU 70 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 177.39 177.74 2k5g n THR 71 N -1.03 0.00 -3.03 1.47 -2.24 -1.10 -4.88 114.28 103.47 2k5g n THR 71 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 2k5g n THR 71 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.81 -0.36 6.98 0.00 -1.26 -4.84 120.51 117.22 2k5g n ALA 72 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.67 2k5g n ALA 72 Cb 0.00 -3.49 0.12 0.00 0.00 0.00 0.00 19.45 16.07 2k5g n ALA 72 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k5g h GLU 73 N -1.45 1.25 -5.95 0.00 5.08 -1.91 -3.37 114.58 108.24 2k5g h GLU 73 Ca -0.39 -0.07 -0.58 0.00 -1.00 0.00 0.00 59.36 57.32 2k5g h GLU 73 Cb 1.26 -0.28 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 2k5g h GLU 73 CO 0.40 0.82 0.35 0.99 -1.00 0.00 0.00 179.01 180.58 2k5g s THR 74 N -6.11 4.90 -0.41 1.13 2.01 -1.26 -5.00 115.64 110.90 2k5g s THR 74 Ca -0.13 1.60 0.04 0.00 0.31 0.00 0.00 61.69 63.51 2k5g s THR 74 Cb 0.18 -4.12 0.19 0.00 0.01 0.00 0.00 72.50 68.75 2k5g s THR 74 CO 0.81 0.05 0.75 0.00 -0.69 0.00 0.00 174.62 175.55 2k5g s ALA 75 N 1.99 -2.80 -1.19 7.40 0.00 -1.26 -4.92 121.76 120.98 2k5g s ALA 75 Ca 0.38 0.29 -0.21 0.00 0.00 0.00 0.00 51.96 52.41 2k5g s ALA 75 Cb -0.17 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 2k5g s ALA 75 CO 0.13 -2.29 1.89 -0.35 0.00 0.00 0.00 175.76 175.14 2k5g n PRO 76 N 3.88 2.08 0.00 0.00 -0.04 -1.26 -4.24 135.00 135.41 2k5g n PRO 76 Ca 0.12 -2.65 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 2k5g n PRO 76 Cb 0.58 -3.58 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 2k5g n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k5g n ALA 77 N 11.85 0.00 0.29 0.55 0.00 -1.26 -4.23 120.51 127.71 2k5g n ALA 77 Ca 0.47 0.00 0.17 0.00 0.00 0.00 0.00 53.44 54.07 2k5g n ALA 77 Cb 0.46 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.73 2k5g n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5g h ARG 78 N 0.00 0.00 0.00 0.00 3.08 -2.02 -1.85 114.38 113.59 2k5g h ARG 78 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k5g h ARG 78 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2k5g h ARG 78 CO 0.00 0.06 -0.87 0.66 -1.07 0.00 0.00 179.97 178.75 2k5g n TYR 79 N -3.30 0.00 0.59 3.04 4.01 -1.26 -4.01 117.16 116.22 2k5g n TYR 79 Ca -0.01 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.86 2k5g n TYR 79 Cb 0.23 -0.06 0.37 0.00 -0.31 0.00 0.00 39.34 39.57 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 1.99 0.97 0.00 -0.72 0.00 -1.52 -3.11 119.26 116.88 2k5g h ALA 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k5g h ALA 80 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k5g h ALA 80 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 179.25 179.62 2k5g h GLN 81 N 0.00 0.00 -0.01 0.00 4.15 -1.64 -2.10 115.11 115.51 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 0.76 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.45 2k5g h GLN 81 CO 0.00 0.00 -0.06 0.66 -1.93 0.00 0.00 178.83 177.50 2k5g n TYR 82 N -2.93 0.00 -0.48 3.99 4.01 -1.17 -3.11 117.16 117.46 2k5g n TYR 82 Ca 0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.84 2k5g n TYR 82 Cb 0.36 -0.06 0.25 0.00 -0.31 0.00 0.00 39.34 39.58 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 -0.45 3.75 -4.82 7.72 2.03 -0.79 -2.73 116.55 121.27 2k5g n ASP 83 Ca 0.18 -2.31 -0.37 0.00 0.52 0.00 0.00 54.79 52.81 2k5g n ASP 83 Cb 0.29 -0.42 -0.06 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.57 4.17 -0.83 -0.67 0.52 -1.18 -4.97 118.95 114.42 2k5g s ARG 84 Ca 0.38 0.72 -0.25 0.00 -0.52 0.00 0.00 55.73 56.06 2k5g s ARG 84 Cb 0.24 -3.06 0.01 0.00 0.52 0.00 0.00 34.95 32.65 2k5g s ARG 84 CO 0.19 0.53 1.58 -2.14 0.02 0.00 0.00 175.30 175.48 2k5g s PRO 85 N -1.57 3.07 -0.13 3.54 0.02 -1.26 -3.53 135.00 135.15 2k5g s PRO 85 Ca 0.35 -0.34 0.01 0.00 0.02 0.00 0.00 61.00 61.04 2k5g s PRO 85 Cb -0.18 -4.75 -0.01 0.00 0.02 0.00 0.00 34.50 29.59 2k5g s PRO 85 CO 0.20 -2.53 -0.16 0.42 -0.33 0.00 0.00 177.00 174.60 2k5g s ILE 86 N 7.05 2.70 -0.42 2.83 1.01 -1.26 -4.99 121.20 128.11 2k5g s ILE 86 Ca 0.52 -0.78 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 2k5g s ILE 86 Cb -0.06 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.32 2k5g s ILE 86 CO 0.06 0.53 0.48 -0.69 0.00 0.00 0.00 174.94 175.32 2k5g s VAL 87 N 0.45 5.03 -0.16 2.92 1.01 -1.26 0.15 120.40 128.54 2k5g s VAL 87 Ca -0.12 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2k5g s VAL 87 Cb -0.16 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.16 2k5g s VAL 87 CO 0.05 -0.45 -0.20 0.00 0.00 0.00 0.00 175.10 174.50 2k5g s ALA 88 N 2.27 2.21 0.21 5.51 0.00 -0.50 -4.96 121.76 126.50 2k5g s ALA 88 Ca 0.14 -1.11 -0.28 0.00 0.00 0.00 0.00 51.96 50.71 2k5g s ALA 88 Cb -0.16 -1.09 -0.08 0.00 0.00 0.00 0.00 23.12 21.78 2k5g s ALA 88 CO 0.15 -0.24 0.88 -0.98 0.00 0.00 0.00 175.76 175.57 2k5g s ARG 89 N 1.15 4.75 -0.01 0.00 1.70 -1.26 -0.46 118.95 124.81 2k5g s ARG 89 Ca 0.01 1.36 0.02 0.00 -0.47 0.00 0.00 55.73 56.65 2k5g s ARG 89 Cb -0.14 -3.28 0.00 0.00 -0.57 0.00 0.00 34.95 30.96 2k5g s ARG 89 CO -0.09 0.52 -0.05 -1.01 -1.08 0.00 0.00 175.30 173.59 2k5g s HIS 90 N -1.11 0.57 0.27 5.89 3.76 0.77 -4.46 115.29 120.98 2k5g s HIS 90 Ca 0.39 -0.11 -0.29 0.00 -0.15 0.00 0.00 55.06 54.90 2k5g s HIS 90 Cb -0.25 -0.41 -0.09 0.00 1.11 0.00 0.00 32.58 32.94 2k5g s HIS 90 CO 0.30 -0.05 1.04 0.99 -0.85 0.00 0.00 174.74 176.17 2k5g s THR 91 N 0.10 3.70 0.05 1.30 2.01 -1.26 -0.07 115.64 121.47 2k5g s THR 91 Ca -0.01 1.68 0.02 0.00 0.31 0.00 0.00 61.69 63.70 2k5g s THR 91 Cb -0.05 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2k5g s THR 91 CO -0.00 0.38 0.05 -1.48 -0.69 0.00 0.00 174.62 172.88 2k5g s LEU 92 N -1.44 3.71 0.00 4.42 2.34 -0.51 0.40 118.68 127.59 2k5g s LEU 92 Ca 0.44 -0.01 0.00 0.00 0.06 0.00 0.00 54.13 54.63 2k5g s LEU 92 Cb -0.29 -2.30 0.00 0.00 -0.56 0.00 0.00 46.19 43.03 2k5g s LEU 92 CO 0.37 0.21 0.00 -0.11 -1.06 0.00 0.00 176.35 175.76 2k5g n LEU 93 N 0.80 0.28 -4.39 1.48 -0.00 0.21 -0.95 117.00 114.44 2k5g n LEU 93 Ca -0.11 0.03 -0.20 0.00 -0.00 0.00 0.00 56.01 55.73 2k5g n LEU 93 Cb 0.52 -0.18 -0.10 0.00 -0.00 0.00 0.00 43.42 43.66 2k5g n LEU 93 CO 0.40 -0.18 -0.44 0.00 -0.00 0.00 0.00 177.39 177.17 2k5g s ARG 94 N -0.37 1.45 -0.29 1.96 1.70 -1.23 -4.12 118.95 118.06 2k5g s ARG 94 Ca 0.00 -1.67 0.03 0.00 -0.47 0.00 0.00 55.73 53.62 2k5g s ARG 94 Cb 0.00 -1.29 0.17 0.00 -0.57 0.00 0.00 34.95 33.26 2k5g s ARG 94 CO 0.00 0.20 0.47 0.00 -1.08 0.00 0.00 175.30 174.89 2k5g s GLU 96 N 2.64 1.52 0.22 0.00 2.02 -0.06 -5.01 118.70 120.03 2k5g s GLU 96 Ca 0.11 -2.35 -0.20 0.00 0.02 0.00 0.00 54.97 52.55 2k5g s GLU 96 Cb -0.12 -2.49 -0.08 0.00 0.10 0.00 0.00 34.13 31.54 2k5g s GLU 96 CO -0.27 -1.22 0.72 -1.25 0.02 0.00 0.00 175.26 173.25 2k5g s PRO 97 N -0.13 4.26 -0.51 0.39 0.05 -1.26 -1.46 135.00 136.34 2k5g s PRO 97 Ca 0.22 0.87 -0.18 0.00 0.05 0.00 0.00 61.00 61.95 2k5g s PRO 97 Cb -0.16 -2.90 0.07 0.00 0.05 0.00 0.00 34.50 31.56 2k5g s PRO 97 CO -0.07 0.41 0.60 -1.25 0.05 0.00 0.00 177.00 176.74 2k5g s PRO 98 N -1.92 3.09 0.00 0.56 0.05 -1.26 -5.01 135.00 130.51 2k5g s PRO 98 Ca 0.42 -1.01 0.00 0.00 0.05 0.00 0.00 61.00 60.46 2k5g s PRO 98 Cb -0.17 -4.12 0.00 0.00 0.05 0.00 0.00 34.50 30.26 2k5g s PRO 98 CO 0.21 -1.22 0.00 -2.13 0.05 0.00 0.00 177.00 173.91 2k5g n ARG 99 N 6.02 0.00 -4.17 4.56 3.00 -0.54 -5.01 116.66 120.52 2k5g n ARG 99 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.63 2k5g n ARG 99 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.80 2k5g n ARG 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k5g s VAL 100 N -0.43 0.91 0.00 5.15 -7.23 -0.78 -1.57 120.40 116.45 2k5g s VAL 100 Ca 0.00 -1.67 -0.05 0.00 -1.81 0.00 0.00 61.98 58.45 2k5g s VAL 100 Cb 0.00 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.55 2k5g s VAL 100 CO 0.00 -0.60 0.09 -1.48 -0.31 0.00 0.00 175.10 172.80 2k5g s LEU 101 N -2.52 1.73 -0.02 1.32 0.05 -0.29 -0.88 118.68 118.07 2k5g s LEU 101 Ca 0.06 -0.22 -0.11 0.00 0.05 0.00 0.00 54.13 53.91 2k5g s LEU 101 Cb -0.02 0.49 0.01 0.00 -2.05 0.00 0.00 46.19 44.63 2k5g s LEU 101 CO -0.00 -0.31 0.23 0.00 -0.55 0.00 0.00 176.35 175.72 2k5g s ALA 102 N -1.21 -0.57 0.31 1.48 0.00 0.13 -0.36 121.76 121.54 2k5g s ALA 102 Ca -0.13 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 51.85 2k5g s ALA 102 Cb -0.07 0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.13 2k5g s ALA 102 CO 0.01 -0.22 0.90 -0.48 0.00 0.00 0.00 175.76 175.97 2k5g s LEU 103 N -1.12 0.03 0.28 0.00 -0.00 -0.35 -0.62 118.68 116.89 2k5g s LEU 103 Ca -0.12 -1.01 0.09 0.00 -0.00 0.00 0.00 54.13 53.09 2k5g s LEU 103 Cb -0.06 2.55 -0.05 0.00 -0.00 0.00 0.00 46.19 48.63 2k5g s LEU 103 CO 0.03 -1.44 -0.13 0.42 -0.00 0.00 0.00 176.35 175.23 2k5g s THR 104 N -2.08 2.04 -1.00 5.48 -4.23 0.16 0.98 115.64 117.00 2k5g s THR 104 Ca 0.19 -2.25 0.17 0.00 -1.18 0.00 0.00 61.69 58.62 2k5g s THR 104 Cb -0.04 -2.35 0.65 0.00 1.34 0.00 0.00 72.50 72.10 2k5g s THR 104 CO 0.09 -0.38 1.56 1.87 -0.54 0.00 0.00 174.62 177.23 2k5g n TRP 105 N -0.59 1.30 -3.91 3.99 -0.00 0.33 -4.49 117.44 114.07 2k5g n TRP 105 Ca -0.06 -0.63 -0.08 0.00 -0.00 0.00 0.00 57.50 56.73 2k5g n TRP 105 Cb 0.62 -0.23 -0.03 0.00 -0.00 0.00 0.00 31.31 31.67 2k5g n TRP 105 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 2k5g s GLY 106 N -1.04 0.21 -0.08 5.87 0.00 -1.25 -4.82 107.32 106.21 2k5g s GLY 106 Ca 0.47 -0.58 0.18 0.00 0.00 0.00 0.00 44.72 44.79 2k5g s GLY 106 CO 0.22 -0.32 1.15 0.61 0.00 0.00 0.00 173.10 174.76 2k5g n GLY 107 N -0.44 1.13 0.00 0.20 0.00 -1.26 -4.15 105.19 100.66 2k5g n GLY 107 Ca -0.03 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2k5g n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 108 N -0.02 -0.35 0.91 -0.02 0.00 -1.26 -5.06 105.19 99.39 2k5g n GLY 108 Ca -0.04 0.38 0.12 0.00 0.00 0.00 0.00 46.02 46.48 2k5g n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g n ALA 109 N 0.00 -2.35 0.40 4.61 0.00 -1.26 -4.25 120.51 117.66 2k5g n ALA 109 Ca 0.00 0.29 0.04 0.00 0.00 0.00 0.00 53.44 53.77 2k5g n ALA 109 Cb 0.00 -0.81 0.18 0.00 0.00 0.00 0.00 19.45 18.81 2k5g n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 110 N -3.05 1.62 1.98 0.00 0.00 -1.26 -4.85 105.19 99.62 2k5g n GLY 110 Ca 0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 2k5g n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5g n GLU 111 N 0.37 0.32 -2.45 1.61 -0.58 -1.26 -5.14 120.64 113.51 2k5g n GLU 111 Ca 0.12 -1.90 -0.38 0.00 -0.42 0.00 0.00 57.16 54.59 2k5g n GLU 111 Cb 0.55 1.65 -0.04 0.00 -0.57 0.00 0.00 31.44 33.03 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 -2.62 3.20 0.04 0.62 0.00 -1.26 -4.81 121.76 116.93 2k5g s ALA 112 Ca 0.22 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 2k5g s ALA 112 Cb 0.00 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 2k5g s ALA 112 CO 0.15 -0.29 1.70 -2.14 0.00 0.00 0.00 175.76 175.19 2k5g s PRO 113 N -2.12 4.18 0.47 0.00 0.02 -1.26 -4.84 135.00 131.45 2k5g s PRO 113 Ca 0.54 2.35 -0.25 0.00 0.02 0.00 0.00 61.00 63.66 2k5g s PRO 113 Cb -0.27 -3.75 -0.08 0.00 0.02 0.00 0.00 34.50 30.42 2k5g s PRO 113 CO 0.35 -0.79 1.43 -1.13 -0.33 0.00 0.00 177.00 176.53 2k5g n SER 114 N 6.16 3.24 -4.70 2.53 3.41 -1.24 -4.75 113.62 118.27 2k5g n SER 114 Ca 0.17 1.09 -0.29 0.00 -0.26 0.00 0.00 58.87 59.58 2k5g n SER 114 Cb 0.41 -1.60 -0.07 0.00 -0.26 0.00 0.00 64.21 62.68 2k5g n SER 114 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2k5g s GLU 115 N -2.55 2.58 -0.13 4.33 2.12 0.14 0.12 118.70 125.32 2k5g s GLU 115 Ca 0.63 -0.89 -0.00 0.00 0.36 0.00 0.00 54.97 55.07 2k5g s GLU 115 Cb -0.44 -2.53 0.03 0.00 0.26 0.00 0.00 34.13 31.45 2k5g s GLU 115 CO 0.56 0.52 -0.08 0.08 -0.54 0.00 0.00 175.26 175.79 2k5g s VAL 116 N -1.46 1.13 -0.25 3.70 1.01 0.28 0.15 120.40 124.94 2k5g s VAL 116 Ca 0.27 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 2k5g s VAL 116 Cb -0.11 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 2k5g s VAL 116 CO 0.19 0.33 0.05 -0.22 0.00 0.00 0.00 175.10 175.46 2k5g s LEU 117 N 1.66 3.43 -0.28 3.92 1.98 0.19 -1.22 118.68 128.37 2k5g s LEU 117 Ca 0.04 -0.34 -0.11 0.00 -2.89 0.00 0.00 54.13 50.83 2k5g s LEU 117 Cb -0.13 -1.88 -0.05 0.00 0.66 0.00 0.00 46.19 44.79 2k5g s LEU 117 CO -0.08 -0.06 0.18 -0.36 -1.89 0.00 0.00 176.35 174.13 2k5g s PHE 118 N 1.57 3.21 -0.22 5.38 0.08 0.51 -0.61 117.98 127.90 2k5g s PHE 118 Ca 0.06 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.20 2k5g s PHE 118 Cb -0.15 -2.37 0.06 0.00 -0.57 0.00 0.00 43.02 39.98 2k5g s PHE 118 CO 0.02 -0.17 -0.06 -1.21 -0.10 0.00 0.00 175.22 173.71 2k5g s GLU 119 N 1.75 1.62 -0.04 0.44 2.02 -0.72 -1.14 118.70 122.62 2k5g s GLU 119 Ca 0.07 -0.90 -0.02 0.00 0.02 0.00 0.00 54.97 54.14 2k5g s GLU 119 Cb -0.16 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 2k5g s GLU 119 CO 0.11 -0.56 0.07 -0.51 0.02 0.00 0.00 175.26 174.39 2k5g s LEU 120 N 1.44 3.89 -0.02 1.80 1.43 -0.61 -1.97 118.68 124.65 2k5g s LEU 120 Ca -0.04 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2k5g s LEU 120 Cb -0.18 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 2k5g s LEU 120 CO -0.07 0.32 -0.11 -0.44 0.23 0.00 0.00 176.35 176.28 2k5g s SER 121 N -1.40 1.39 -0.37 2.29 0.01 -0.98 -4.59 113.70 110.06 2k5g s SER 121 Ca 0.19 -0.22 -0.21 0.00 1.31 0.00 0.00 55.95 57.03 2k5g s SER 121 Cb -0.12 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.89 2k5g s SER 121 CO 0.09 0.13 0.64 -1.83 0.41 0.00 0.00 173.24 172.68 2k5g s GLU 122 N -0.14 3.63 -0.74 12.44 -1.05 -1.26 -2.06 118.70 129.52 2k5g s GLU 122 Ca 0.02 0.01 0.01 0.00 -0.15 0.00 0.00 54.97 54.85 2k5g s GLU 122 Cb -0.06 -3.83 0.18 0.00 -0.44 0.00 0.00 34.13 29.99 2k5g s GLU 122 CO -0.00 -0.78 0.57 0.00 0.95 0.00 0.00 175.26 176.00 2k5g s ALA 123 N 2.74 3.89 0.00 -0.84 0.00 0.14 -4.97 121.76 122.71 2k5g s ALA 123 Ca 0.24 -3.67 0.00 0.00 0.00 0.00 0.00 51.96 48.54 2k5g s ALA 123 Cb -0.14 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.45 2k5g s ALA 123 CO 0.15 -2.11 0.00 0.41 0.00 0.00 0.00 175.76 174.21 2k5g n GLY 124 N 2.53 1.05 0.34 0.00 0.00 -1.26 -0.70 105.19 107.16 2k5g n GLY 124 Ca 0.16 0.37 0.05 0.00 0.00 0.00 0.00 46.02 46.61 2k5g n GLY 124 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k5g n GLU 125 N 0.00 0.67 -4.49 1.61 2.13 -1.26 -4.75 120.64 114.54 2k5g n GLU 125 Ca 0.00 -1.88 -0.23 0.00 0.66 0.00 0.00 57.16 55.71 2k5g n GLU 125 Cb 0.00 -1.00 -0.10 0.00 0.27 0.00 0.00 31.44 30.61 2k5g n GLU 125 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2k5g s GLN 126 N -1.49 1.75 -0.06 5.31 -0.21 0.12 -2.22 119.66 122.85 2k5g s GLN 126 Ca 0.18 -1.99 -0.03 0.00 0.02 0.00 0.00 55.36 53.54 2k5g s GLN 126 Cb 0.16 -0.96 0.04 0.00 1.00 0.00 0.00 33.01 33.25 2k5g s GLN 126 CO 0.00 -0.22 0.14 0.54 -2.12 0.00 0.00 175.29 173.64 2k5g s VAL 127 N -3.20 -0.05 -0.25 1.09 0.11 -0.43 0.24 120.40 117.91 2k5g s VAL 127 Ca 0.33 0.18 -0.17 0.00 -2.93 0.00 0.00 61.98 59.39 2k5g s VAL 127 Cb 0.08 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.66 2k5g s VAL 127 CO 0.15 0.07 0.46 -0.60 -3.33 0.00 0.00 175.10 171.85 2k5g s ARG 128 N 1.14 4.08 -0.23 1.54 3.52 -0.87 -0.28 118.95 127.84 2k5g s ARG 128 Ca -0.09 0.23 -0.07 0.00 -0.13 0.00 0.00 55.73 55.67 2k5g s ARG 128 Cb -0.11 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.62 2k5g s ARG 128 CO -0.06 -0.27 0.06 -1.17 -0.81 0.00 0.00 175.30 173.06 2k5g s LEU 129 N 2.05 3.51 -0.18 -0.88 0.20 0.72 -2.32 118.68 121.79 2k5g s LEU 129 Ca 0.19 -0.14 0.00 0.00 0.69 0.00 0.00 54.13 54.87 2k5g s LEU 129 Cb -0.16 -1.93 0.01 0.00 -0.43 0.00 0.00 46.19 43.69 2k5g s LEU 129 CO 0.09 0.02 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.31 2k5g s VAL 130 N 1.29 2.32 -0.36 1.68 1.01 -0.83 -0.41 120.40 125.10 2k5g s VAL 130 Ca 0.05 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 2k5g s VAL 130 Cb -0.15 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.27 2k5g s VAL 130 CO 0.03 0.52 0.20 -0.22 0.00 0.00 0.00 175.10 175.63 2k5g s LEU 131 N 1.23 4.59 -0.30 3.92 0.20 0.13 -1.76 118.68 126.69 2k5g s LEU 131 Ca 0.03 -0.89 -0.07 0.00 0.69 0.00 0.00 54.13 53.89 2k5g s LEU 131 Cb -0.14 -2.02 0.01 0.00 -0.43 0.00 0.00 46.19 43.61 2k5g s LEU 131 CO -0.09 -0.34 0.09 -0.89 -0.29 0.00 0.00 176.35 174.82 2k5g s THR 132 N 1.57 4.00 -0.38 3.68 2.01 0.22 -0.68 115.64 126.05 2k5g s THR 132 Ca 0.03 -0.69 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 2k5g s THR 132 Cb -0.19 -3.07 0.04 0.00 0.01 0.00 0.00 72.50 69.30 2k5g s THR 132 CO 0.07 0.07 0.21 -2.28 -0.69 0.00 0.00 174.62 171.99 2k5g s HIS 133 N 1.50 3.27 0.29 4.92 2.46 0.18 0.55 115.29 128.47 2k5g s HIS 133 Ca 0.03 -1.17 0.02 0.00 0.47 0.00 0.00 55.06 54.40 2k5g s HIS 133 Cb -0.17 -2.55 0.02 0.00 -0.13 0.00 0.00 32.58 29.74 2k5g s HIS 133 CO 0.03 -0.71 0.13 0.25 -2.47 0.00 0.00 174.74 171.96 2k5g n THR 134 N 4.96 0.00 -2.40 0.89 -2.24 0.12 -3.34 114.28 112.27 2k5g n THR 134 Ca -0.11 -1.25 -0.20 0.00 -2.27 0.00 0.00 64.05 60.22 2k5g n THR 134 Cb 0.45 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 2k5g n THR 134 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k5g n ARG 135 N -0.98 -1.73 -2.63 -0.78 1.74 -1.26 0.27 116.66 111.29 2k5g n ARG 135 Ca -0.06 0.98 -0.42 0.00 -0.77 0.00 0.00 57.85 57.59 2k5g n ARG 135 Cb 0.35 -5.64 -0.03 0.00 -1.02 0.00 0.00 32.46 26.11 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 -6.00 4.41 0.13 0.55 1.43 -1.26 -3.64 118.68 114.30 2k5g s LEU 136 Ca 0.00 1.82 -0.20 0.00 -1.03 0.00 0.00 54.13 54.73 2k5g s LEU 136 Cb 0.00 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2k5g s LEU 136 CO 0.00 -0.26 1.71 0.00 0.23 0.00 0.00 176.35 178.03 2k5g h ALA 137 N 6.30 0.14 -2.41 4.21 0.00 -1.92 -3.48 119.26 122.11 2k5g h ALA 137 Ca -0.42 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k5g h ALA 137 Cb 1.22 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2k5g h ALA 137 CO 0.75 -0.47 0.00 -0.40 0.00 0.00 0.00 179.25 179.14 2k5g n ASP 138 N -5.18 0.00 0.12 0.00 5.75 -1.26 -4.98 116.55 111.00 2k5g n ASP 138 Ca -0.02 -0.32 0.17 0.00 -0.01 0.00 0.00 54.79 54.61 2k5g n ASP 138 Cb 0.12 0.00 0.74 0.00 -1.03 0.00 0.00 41.12 40.95 2k5g n ASP 138 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2k5g h ARG 139 N 0.00 0.00 -0.30 0.11 3.08 -1.93 0.11 114.38 115.45 2k5g h ARG 139 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2k5g h ARG 139 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2k5g h ARG 139 CO 0.00 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 178.88 2k5g h ALA 140 N 1.77 1.42 -0.22 0.04 0.00 -1.94 0.27 119.26 120.61 2k5g h ALA 140 Ca 0.15 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2k5g h ALA 140 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k5g h ALA 140 CO -0.00 0.41 -0.06 0.00 0.00 0.00 0.00 179.25 179.59 2k5g h ALA 141 N 1.55 0.30 -0.92 0.00 0.00 -1.17 0.44 119.26 119.46 2k5g h ALA 141 Ca 0.09 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.85 2k5g h ALA 141 Cb 0.32 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2k5g h ALA 141 CO 0.01 0.09 0.59 1.98 0.00 0.00 0.00 179.25 181.93 2k5g h MET 142 N 0.15 0.87 -0.31 0.00 -1.53 -1.19 0.23 114.93 113.15 2k5g h MET 142 Ca 0.05 -0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.23 2k5g h MET 142 Cb 0.52 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 31.36 2k5g h MET 142 CO 0.02 0.58 0.04 -0.07 0.14 0.00 0.00 176.91 177.62 2k5g h LEU 143 N 0.90 0.42 -0.22 3.39 3.38 0.09 0.17 115.31 123.43 2k5g h LEU 143 Ca 0.44 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.30 2k5g h LEU 143 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2k5g h LEU 143 CO -0.20 0.45 -0.05 -0.78 0.09 0.00 0.00 178.44 177.96 2k5g h ASP 144 N 0.44 0.42 1.45 -0.43 3.58 0.16 -2.93 116.42 119.12 2k5g h ASP 144 Ca 0.10 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2k5g h ASP 144 Cb 0.23 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2k5g h ASP 144 CO 0.00 0.68 0.00 -0.37 -2.88 0.00 0.00 179.24 176.67 2k5g h VAL 145 N 0.15 0.00 -0.58 2.25 -1.51 -0.94 -3.14 116.25 112.49 2k5g h VAL 145 Ca 0.06 -0.65 0.17 0.00 -1.23 0.00 0.00 66.70 65.04 2k5g h VAL 145 Cb 0.49 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 31.24 2k5g h VAL 145 CO 0.02 0.00 0.49 0.00 -1.23 0.00 0.00 177.57 176.85 2k5g h ALA 146 N 2.15 2.42 0.00 5.19 0.00 -0.47 -0.99 119.26 127.56 2k5g h ALA 146 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2k5g h ALA 146 Cb 0.73 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2k5g h ALA 146 CO 0.00 -0.79 -0.12 0.41 0.00 0.00 0.00 179.25 178.75 2k5g n GLY 147 N -1.59 2.35 0.00 0.00 0.00 -1.19 -4.39 105.19 100.37 2k5g n GLY 147 Ca 0.11 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 2.30 1.47 0.29 -0.02 0.00 -1.18 -5.02 105.19 103.02 2k5g n GLY 148 Ca 0.22 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.88 -0.85 1.61 2.91 -1.38 -2.39 115.95 114.97 2k5g h TRP 149 Ca 0.00 0.02 0.18 0.00 1.13 0.00 0.00 58.89 60.21 2k5g h TRP 149 Cb 0.00 0.36 -0.11 0.00 -0.51 0.00 0.00 29.16 28.90 2k5g h TRP 149 CO 0.00 -0.37 0.38 1.12 -1.03 0.00 0.00 178.44 178.54 2k5g h HIS 150 N -0.50 0.65 0.00 2.65 2.07 -1.86 -0.87 115.15 117.28 2k5g h HIS 150 Ca -0.02 0.04 -0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2k5g h HIS 150 Cb 0.47 -0.16 -0.00 0.00 2.57 0.00 0.00 27.41 30.30 2k5g h HIS 150 CO -0.31 0.06 -0.01 0.00 -3.07 0.00 0.00 177.93 174.61 2k5g h ALA 151 N 1.62 1.09 0.00 6.11 0.00 -1.78 -1.51 119.26 124.79 2k5g h ALA 151 Ca 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 2k5g h ALA 151 Cb 0.81 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2k5g h ALA 151 CO -0.44 0.01 -0.06 1.12 0.00 0.00 0.00 179.25 179.88 2k5g h HIS 152 N 0.00 0.00 0.00 0.00 2.07 -0.96 0.12 115.15 116.38 2k5g h HIS 152 Ca -0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 2k5g h HIS 152 Cb 0.07 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.04 2k5g h HIS 152 CO 0.00 0.06 -0.21 -0.07 -3.07 0.00 0.00 177.93 174.64 2k5g h LEU 153 N 0.00 0.00 -0.11 6.12 3.38 -1.45 -1.27 115.31 121.99 2k5g h LEU 153 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2k5g h LEU 153 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2k5g h LEU 153 CO 0.01 0.21 -0.37 0.00 0.09 0.00 0.00 178.44 178.38 2k5g h ALA 154 N 1.79 0.19 -0.54 1.53 0.00 -1.13 -1.37 119.26 119.73 2k5g h ALA 154 Ca -0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 2k5g h ALA 154 Cb 0.88 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2k5g h ALA 154 CO 0.03 0.27 0.02 0.28 0.00 0.00 0.00 179.25 179.84 2k5g h VAL 155 N 0.01 1.26 -0.06 0.00 2.07 -1.46 -1.41 116.25 116.66 2k5g h VAL 155 Ca -0.02 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.46 2k5g h VAL 155 Cb 1.00 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 2k5g h VAL 155 CO 0.08 0.39 -0.29 0.25 0.02 0.00 0.00 177.57 178.02 2k5g h LEU 156 N 0.83 -0.87 -0.55 2.57 5.85 -1.21 -1.03 115.31 120.89 2k5g h LEU 156 Ca 0.16 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.03 2k5g h LEU 156 Cb 0.51 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 2k5g h LEU 156 CO 0.02 -0.34 0.33 0.00 -0.34 0.00 0.00 178.44 178.11 2k5g h ALA 157 N 0.43 0.71 -0.28 1.25 0.00 -1.08 0.53 119.26 120.81 2k5g h ALA 157 Ca 0.08 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2k5g h ALA 157 Cb 0.51 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2k5g h ALA 157 CO -0.29 0.04 0.04 0.78 0.00 0.00 0.00 179.25 179.82 2k5g h GLY 158 N 0.64 0.31 0.89 0.00 0.00 -0.91 0.62 103.07 104.64 2k5g h GLY 158 Ca 0.23 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.45 2k5g h GLY 158 CO -0.11 -0.02 -0.26 0.50 0.00 0.00 0.00 176.54 176.65 2k5g h LYS 159 N 0.14 0.58 0.00 4.80 1.57 -0.84 -1.61 116.57 121.21 2k5g h LYS 159 Ca 0.13 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2k5g h LYS 159 Cb 0.15 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2k5g h LYS 159 CO -0.19 0.92 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.43 2k5g h LEU 160 N 0.28 0.00 0.00 2.94 3.38 -0.75 0.28 115.31 121.45 2k5g h LEU 160 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k5g h LEU 160 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2k5g h LEU 160 CO 0.06 0.11 -0.08 0.00 0.09 0.00 0.00 178.44 178.62 2k5g n ALA 161 N -2.28 2.44 -1.11 1.53 0.00 0.20 -4.70 120.51 116.58 2k5g n ALA 161 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k5g n ALA 161 Cb 0.23 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.40 0.54 0.00 0.00 0.00 0.09 -5.04 105.19 102.18 2k5g n GLY 162 Ca 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.22 1.36 -2.92 1.61 10.64 -0.63 -5.03 117.38 120.18 2k5g n GLN 163 Ca 0.00 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.81 2k5g n GLN 163 Cb 0.14 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.46 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 -2.00 3.29 0.50 2.61 0.00 -1.26 -4.12 121.76 120.78 2k5g s ALA 164 Ca 0.00 0.36 -0.18 0.00 0.00 0.00 0.00 51.96 52.14 2k5g s ALA 164 Cb 0.00 -3.02 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 2k5g s ALA 164 CO 0.00 0.24 0.99 -1.25 0.00 0.00 0.00 175.76 175.74 2k5g s PRO 165 N -2.06 3.95 0.78 0.00 0.04 -1.26 -4.71 135.00 131.74 2k5g s PRO 165 Ca 0.47 1.06 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 2k5g s PRO 165 Cb -0.17 -2.13 0.06 0.00 0.04 0.00 0.00 34.50 32.30 2k5g s PRO 165 CO 0.22 -0.27 1.19 -0.35 0.04 0.00 0.00 177.00 177.83 2k5g n PRO 166 N -1.30 0.34 -1.58 0.56 -0.04 -1.26 -4.59 135.00 127.12 2k5g n PRO 166 Ca 0.07 0.19 -0.46 0.00 -0.04 0.00 0.00 63.50 63.26 2k5g n PRO 166 Cb 0.54 -2.43 -0.05 0.00 -0.04 0.00 0.00 33.50 31.52 2k5g n PRO 166 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2k5g n PRO 167 N -2.96 1.86 -1.78 0.54 -0.04 -1.26 -4.78 135.00 126.58 2k5g n PRO 167 Ca 0.14 0.58 -0.39 0.00 -0.04 0.00 0.00 63.50 63.80 2k5g n PRO 167 Cb 0.50 -2.86 -0.04 0.00 -0.04 0.00 0.00 33.50 31.06 2k5g n PRO 167 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2k5g n PHE 168 N 9.57 2.93 0.06 0.54 7.35 -1.26 -3.20 117.46 133.45 2k5g n PHE 168 Ca 0.30 -2.10 0.00 0.00 -0.76 0.00 0.00 57.45 54.89 2k5g n PHE 168 Cb 0.35 -2.30 0.00 0.00 0.35 0.00 0.00 39.48 37.88 2k5g n PHE 168 CO 0.00 0.00 0.00 1.87 -0.76 0.00 0.00 176.76 177.87 2k5g n TRP 169 N 9.44 -2.48 0.11 -5.13 -0.00 -1.26 -4.25 117.44 113.88 2k5g n TRP 169 Ca 0.49 0.43 -0.13 0.00 -0.00 0.00 0.00 57.50 58.29 2k5g n TRP 169 Cb 0.43 1.32 -0.06 0.00 -0.00 0.00 0.00 31.31 33.00 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 0.65 -0.85 5.87 2.02 -1.96 0.38 112.91 119.02 2k5g h THR 170 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2k5g h THR 170 Cb 0.00 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 2k5g h THR 170 CO 0.00 0.00 0.56 0.00 0.37 0.00 0.00 175.52 176.45 2k5g h THR 171 N -0.32 1.16 0.27 3.16 1.03 -1.91 -0.65 112.91 115.66 2k5g h THR 171 Ca 0.01 -0.37 -0.01 0.00 -0.01 0.00 0.00 66.41 66.03 2k5g h THR 171 Cb 0.32 -0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.39 2k5g h THR 171 CO -0.06 0.20 -0.13 0.25 -0.01 0.00 0.00 175.52 175.77 2k5g h LEU 172 N 1.09 -0.31 -0.74 0.00 6.46 -1.63 -1.49 115.31 118.68 2k5g h LEU 172 Ca 0.33 -0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 2k5g h LEU 172 Cb -0.02 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 2k5g h LEU 172 CO -0.09 0.02 0.25 0.00 -0.62 0.00 0.00 178.44 178.00 2k5g h ALA 173 N -0.04 0.97 -0.15 1.25 0.00 -0.12 0.24 119.26 121.41 2k5g h ALA 173 Ca -0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k5g h ALA 173 Cb 0.46 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2k5g h ALA 173 CO 0.06 0.63 0.09 0.37 0.00 0.00 0.00 179.25 180.40 2k5g h GLN 174 N 1.09 0.21 -0.57 0.00 4.15 -1.12 0.80 115.11 119.67 2k5g h GLN 174 Ca 0.24 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.56 2k5g h GLN 174 Cb 0.28 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 2k5g h GLN 174 CO -0.01 0.20 0.06 0.00 -1.93 0.00 0.00 178.83 177.14 2k5g h ALA 175 N 1.00 0.76 -0.10 3.38 0.00 -0.98 -1.04 119.26 122.27 2k5g h ALA 175 Ca 0.05 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2k5g h ALA 175 Cb 0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2k5g h ALA 175 CO -0.01 0.54 -0.21 0.93 0.00 0.00 0.00 179.25 180.50 2k5g h GLU 176 N 0.86 -0.27 -0.02 0.00 4.39 -0.30 0.19 114.58 119.42 2k5g h GLU 176 Ca 0.17 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.91 2k5g h GLU 176 Cb 0.47 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2k5g h GLU 176 CO 0.02 -0.18 -0.12 1.96 -1.16 0.00 0.00 179.01 179.53 2k5g h GLN 177 N -0.28 -0.19 -0.58 2.33 1.08 -0.65 0.11 115.11 116.94 2k5g h GLN 177 Ca 0.09 0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.20 2k5g h GLN 177 Cb 0.41 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2k5g h GLN 177 CO -0.27 -0.13 -0.03 0.22 -0.95 0.00 0.00 178.83 177.68 2k5g h ASP 178 N -0.20 1.02 0.87 1.46 1.82 -0.90 -2.01 116.42 118.48 2k5g h ASP 178 Ca 0.05 -0.30 -0.17 0.00 -0.39 0.00 0.00 57.03 56.23 2k5g h ASP 178 Cb 0.26 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.98 2k5g h ASP 178 CO -0.14 1.08 -0.79 1.88 -1.61 0.00 0.00 179.24 179.66 2k5g h TYR 179 N 0.94 0.00 0.00 0.28 0.05 -0.51 0.68 116.97 118.40 2k5g h TYR 179 Ca 0.16 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 2k5g h TYR 179 Cb 0.58 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 2k5g h TYR 179 CO 0.04 0.79 -0.18 0.93 -1.05 0.00 0.00 178.16 178.70 2k5g h GLU 180 N 0.00 0.00 0.00 4.88 4.39 -0.52 -3.35 114.58 119.98 2k5g h GLU 180 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2k5g h GLU 180 Cb 1.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 2k5g h GLU 180 CO 0.10 0.18 0.00 1.04 -1.16 0.00 0.00 179.01 179.17 2k5g n GLN 181 N -3.64 0.00 0.00 2.33 1.13 -0.78 -4.94 117.38 111.48 2k5g n GLN 181 Ca -0.01 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 2k5g n GLN 181 Cb 0.30 -0.38 0.00 0.00 0.11 0.00 0.00 30.24 30.27 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 -1.86 0.00 -3.26 -1.09 5.12 0.23 -4.23 116.66 111.58 2k5g n ARG 182 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 2k5g n ARG 182 Cb 0.00 -2.88 0.00 0.00 -1.16 0.00 0.00 32.46 28.42 2k5g n ARG 182 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2k5g n LEU 183 N 0.00 -5.36 -4.12 0.55 4.32 -1.26 -5.02 117.00 106.12 2k5g n LEU 183 Ca 0.00 -0.25 -0.15 0.00 -0.02 0.00 0.00 56.01 55.60 2k5g n LEU 183 Cb 0.00 -2.77 -0.11 0.00 -1.62 0.00 0.00 43.42 38.92 2k5g n LEU 183 CO 0.00 -0.80 -0.42 -1.48 -1.22 0.00 0.00 177.39 173.47 2k5g s LEU 184 N -4.00 2.29 -0.34 2.23 0.05 -1.26 -5.10 118.68 112.54 2k5g s LEU 184 Ca 0.05 -0.62 0.03 0.00 0.05 0.00 0.00 54.13 53.64 2k5g s LEU 184 Cb -0.01 -0.29 0.15 0.00 -2.05 0.00 0.00 46.19 43.99 2k5g s LEU 184 CO 0.80 -0.18 0.38 -0.70 -0.55 0.00 0.00 176.35 176.10 2k5g s GLU 185 N -1.85 0.55 -0.14 1.48 -6.30 -1.26 -5.14 118.70 106.03 2k5g s GLU 185 Ca -0.05 -0.52 -0.05 0.00 -2.50 0.00 0.00 54.97 51.86 2k5g s GLU 185 Cb -0.09 -0.59 -0.04 0.00 0.00 0.00 0.00 34.13 33.42 2k5g s GLU 185 CO 0.01 -1.14 0.03 -1.58 0.02 0.00 0.00 175.26 172.60 2k5g s HIS 186 N 1.83 3.21 -0.36 5.30 5.65 -1.26 -5.05 115.29 124.61 2k5g s HIS 186 Ca 0.14 0.08 -0.29 0.00 0.25 0.00 0.00 55.06 55.24 2k5g s HIS 186 Cb -0.14 -1.96 -0.00 0.00 -1.18 0.00 0.00 32.58 29.30 2k5g s HIS 186 CO -0.14 0.26 1.59 -1.01 -0.65 0.00 0.00 174.74 174.79 2k5g s HIS 187 N -0.13 2.13 -0.51 3.88 3.76 -1.26 -4.96 115.29 118.20 2k5g s HIS 187 Ca 0.06 0.64 -0.27 0.00 -0.15 0.00 0.00 55.06 55.34 2k5g s HIS 187 Cb -0.12 -4.21 0.03 0.00 1.11 0.00 0.00 32.58 29.39 2k5g s HIS 187 CO 0.02 -2.46 1.09 -1.58 -0.85 0.00 0.00 174.74 170.95 2k5g s HIS 188 N 6.03 2.78 -0.02 1.40 5.04 -1.26 -4.93 115.29 124.32 2k5g s HIS 188 Ca 0.70 0.48 -0.03 0.00 -1.54 0.00 0.00 55.06 54.67 2k5g s HIS 188 Cb -0.18 -4.32 -0.01 0.00 0.04 0.00 0.00 32.58 28.10 2k5g s HIS 188 CO 0.33 -1.33 0.24 0.45 -2.34 0.00 0.00 174.74 172.08 2k5g h HIS 189 N 9.30 -0.09 -1.98 3.88 3.86 -2.07 -3.50 115.15 124.55 2k5g h HIS 189 Ca -0.24 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 2k5g h HIS 189 Cb 1.06 0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.56 2k5g h HIS 189 CO 0.96 -0.05 -0.47 1.58 0.86 0.00 0.00 177.93 180.82 2k5g n HIS 190 N -3.01 -2.33 0.41 2.45 -0.00 -1.26 -5.35 115.22 106.12 2k5g n HIS 190 Ca -0.01 1.22 0.05 0.00 -0.00 0.00 0.00 57.72 58.97 2k5g n HIS 190 Cb 0.04 -2.53 0.04 0.00 -0.00 0.00 0.00 29.99 27.54 2k5g n HIS 190 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06