#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5g n THR 2 N 0.00 0.40 -0.08 1.12 -1.04 -1.26 -4.93 114.28 108.49 2k5g n THR 2 Ca 0.00 -0.07 -0.08 0.00 -2.04 0.00 0.00 64.05 61.86 2k5g n THR 2 Cb 0.00 -2.07 -0.03 0.00 -1.82 0.00 0.00 70.33 66.41 2k5g n THR 2 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2k5g n SER 3 N 5.75 1.85 -4.48 8.00 7.64 -1.26 -4.77 113.62 126.34 2k5g n SER 3 Ca 0.19 0.55 -0.43 0.00 1.01 0.00 0.00 58.87 60.18 2k5g n SER 3 Cb 0.36 -0.85 -0.03 0.00 -1.01 0.00 0.00 64.21 62.68 2k5g n SER 3 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2k5g s PRO 4 N -2.41 3.28 -0.14 1.43 0.05 -1.26 -4.05 135.00 131.90 2k5g s PRO 4 Ca -0.20 -0.99 0.03 0.00 0.05 0.00 0.00 61.00 59.90 2k5g s PRO 4 Cb 0.03 -4.50 -0.11 0.00 0.05 0.00 0.00 34.50 29.97 2k5g s PRO 4 CO 0.30 -1.90 -0.10 0.45 0.05 0.00 0.00 177.00 175.80 2k5g n SER 5 N 7.82 2.67 -1.34 6.66 2.88 -0.91 -5.00 113.62 126.41 2k5g n SER 5 Ca 0.07 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2k5g n SER 5 Cb 0.47 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2k5g n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k5g n SER 6 N -2.84 -4.52 -3.79 -3.46 7.64 0.19 -4.91 113.62 101.93 2k5g n SER 6 Ca -0.25 0.59 -0.08 0.00 1.01 0.00 0.00 58.87 60.13 2k5g n SER 6 Cb 0.81 -2.42 -0.03 0.00 -1.01 0.00 0.00 64.21 61.56 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 -0.20 -1.12 -0.32 -0.43 0.00 -1.26 -4.67 121.76 113.76 2k5g s ALA 7 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 51.96 51.59 2k5g s ALA 7 Cb 0.00 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 2k5g s ALA 7 CO 0.00 -0.94 0.28 -0.06 0.00 0.00 0.00 175.76 175.04 2k5g s PHE 8 N -3.90 3.22 0.72 0.00 0.08 -1.26 -4.88 117.98 111.97 2k5g s PHE 8 Ca 0.10 -0.02 -0.09 0.00 0.12 0.00 0.00 56.93 57.04 2k5g s PHE 8 Cb -0.04 -2.53 0.05 0.00 -0.57 0.00 0.00 43.02 39.93 2k5g s PHE 8 CO 0.02 -0.32 1.07 -1.25 -0.10 0.00 0.00 175.22 174.64 2k5g s PRO 9 N 1.86 2.39 0.33 0.24 0.05 -1.26 -4.88 135.00 133.72 2k5g s PRO 9 Ca 0.09 0.08 0.00 0.00 0.05 0.00 0.00 61.00 61.22 2k5g s PRO 9 Cb -0.17 -2.08 0.00 0.00 0.05 0.00 0.00 34.50 32.31 2k5g s PRO 9 CO 0.11 -1.23 0.00 -3.47 0.05 0.00 0.00 177.00 172.46 2k5g n ASP 10 N -3.02 -7.02 0.11 6.66 2.03 -1.26 -5.05 116.55 109.00 2k5g n ASP 10 Ca 0.07 0.64 0.00 0.00 0.52 0.00 0.00 54.79 56.02 2k5g n ASP 10 Cb 0.59 -3.67 0.00 0.00 -0.72 0.00 0.00 41.12 37.32 2k5g n ASP 10 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5g n GLY 11 N -3.80 -1.53 2.95 0.27 0.00 -1.26 -5.02 105.19 96.81 2k5g n GLY 11 Ca -0.01 0.46 -0.08 0.00 0.00 0.00 0.00 46.02 46.39 2k5g n GLY 11 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k5g n HIS 12 N -3.17 -2.98 -2.75 1.61 -0.00 -1.26 -5.03 115.22 101.64 2k5g n HIS 12 Ca 0.00 1.27 -0.03 0.00 -0.00 0.00 0.00 57.72 58.96 2k5g n HIS 12 Cb 0.00 -3.20 0.02 0.00 -0.00 0.00 0.00 29.99 26.81 2k5g n HIS 12 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2k5g s GLY 13 N -1.79 -1.62 -0.25 1.57 0.00 -1.26 -5.13 107.32 98.84 2k5g s GLY 13 Ca 0.13 0.32 0.02 0.00 0.00 0.00 0.00 44.72 45.19 2k5g s GLY 13 CO 0.66 4.05 -0.11 0.00 0.00 0.00 0.00 173.10 177.70 2k5g s ALA 14 N 1.13 2.56 -0.05 3.20 0.00 -1.26 -5.10 121.76 122.23 2k5g s ALA 14 Ca 0.24 -1.65 -0.00 0.00 0.00 0.00 0.00 51.96 50.55 2k5g s ALA 14 Cb 0.06 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 2k5g s ALA 14 CO -0.09 -1.03 -0.01 -0.98 0.00 0.00 0.00 175.76 173.66 2k5g s ARG 15 N 1.16 2.87 -0.01 0.00 1.70 -1.26 -5.00 118.95 118.41 2k5g s ARG 15 Ca -0.06 -0.50 0.06 0.00 -0.47 0.00 0.00 55.73 54.76 2k5g s ARG 15 Cb -0.18 -2.72 0.18 0.00 -0.57 0.00 0.00 34.95 31.65 2k5g s ARG 15 CO -0.06 0.67 1.10 1.28 -1.08 0.00 0.00 175.30 177.21 2k5g n LEU 16 N 1.86 1.21 -4.90 -1.89 4.32 -1.26 -4.83 117.00 111.52 2k5g n LEU 16 Ca -0.17 -0.61 -0.28 0.00 -0.02 0.00 0.00 56.01 54.93 2k5g n LEU 16 Cb 0.53 -0.19 0.01 0.00 -1.62 0.00 0.00 43.42 42.15 2k5g n LEU 16 CO 0.30 0.27 0.55 -0.62 -1.22 0.00 0.00 177.39 176.67 2k5g s ASP 17 N -0.89 6.16 0.02 -1.43 2.15 -1.26 -4.92 116.67 116.50 2k5g s ASP 17 Ca 0.13 1.07 0.00 0.00 0.43 0.00 0.00 52.55 54.18 2k5g s ASP 17 Cb 0.07 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 2k5g s ASP 17 CO 0.08 -0.74 0.00 0.00 -0.17 0.00 0.00 175.17 174.34 2k5g n ALA 18 N -2.47 -0.10 -1.19 3.66 0.00 -1.26 -4.82 120.51 114.33 2k5g n ALA 18 Ca 0.03 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.58 2k5g n ALA 18 Cb 0.55 -0.04 0.17 0.00 0.00 0.00 0.00 19.45 20.13 2k5g n ALA 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k5g n GLN 19 N -2.16 1.54 -4.13 0.00 6.02 -1.26 -4.98 117.38 112.41 2k5g n GLN 19 Ca -0.00 -2.79 -0.09 0.00 -0.01 0.00 0.00 57.00 54.11 2k5g n GLN 19 Cb 0.02 -1.58 -0.10 0.00 1.02 0.00 0.00 30.24 29.60 2k5g n GLN 19 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2k5g s SER 20 N -2.84 0.43 -0.24 1.08 0.01 -1.26 -4.53 113.70 106.35 2k5g s SER 20 Ca 0.35 -1.12 -0.10 0.00 1.31 0.00 0.00 55.95 56.40 2k5g s SER 20 Cb 0.31 0.25 -0.04 0.00 0.21 0.00 0.00 66.02 66.74 2k5g s SER 20 CO 0.01 -0.66 0.14 -0.63 0.41 0.00 0.00 173.24 172.51 2k5g s ILE 21 N -3.97 5.08 -0.20 1.44 -1.09 -0.77 -4.96 121.20 116.74 2k5g s ILE 21 Ca 0.17 0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.63 2k5g s ILE 21 Cb 0.08 -3.37 0.08 0.00 -1.58 0.00 0.00 42.46 37.67 2k5g s ILE 21 CO -0.03 0.34 0.19 0.00 -1.23 0.00 0.00 174.94 174.20 2k5g s ARG 22 N 1.21 0.16 -0.19 2.79 1.70 -1.24 0.46 118.95 123.84 2k5g s ARG 22 Ca 0.06 0.12 -0.01 0.00 -0.47 0.00 0.00 55.73 55.43 2k5g s ARG 22 Cb -0.14 -1.38 0.05 0.00 -0.57 0.00 0.00 34.95 32.91 2k5g s ARG 22 CO 0.05 -0.67 -0.02 -0.06 -1.08 0.00 0.00 175.30 173.53 2k5g s PHE 23 N 2.27 1.55 -0.15 5.89 0.08 -0.64 -4.92 117.98 122.05 2k5g s PHE 23 Ca 0.06 -1.10 -0.05 0.00 0.12 0.00 0.00 56.93 55.96 2k5g s PHE 23 Cb -0.16 -1.24 -0.03 0.00 -0.57 0.00 0.00 43.02 41.02 2k5g s PHE 23 CO -0.12 -0.63 0.02 -1.83 -0.10 0.00 0.00 175.22 172.56 2k5g s GLU 24 N 1.68 3.66 0.23 0.44 4.04 -1.26 0.44 118.70 127.94 2k5g s GLU 24 Ca -0.01 -0.40 0.03 0.00 0.04 0.00 0.00 54.97 54.63 2k5g s GLU 24 Cb -0.17 -3.03 -0.05 0.00 0.02 0.00 0.00 34.13 30.90 2k5g s GLU 24 CO -0.07 0.37 -0.00 1.03 -1.84 0.00 0.00 175.26 174.75 2k5g s ARG 25 N 0.06 1.34 -0.14 -4.83 0.52 0.15 -4.97 118.95 111.08 2k5g s ARG 25 Ca 0.03 -1.68 -0.02 0.00 -0.52 0.00 0.00 55.73 53.54 2k5g s ARG 25 Cb -0.13 -0.61 -0.02 0.00 0.52 0.00 0.00 34.95 34.71 2k5g s ARG 25 CO 0.02 -0.10 -0.08 -1.17 0.02 0.00 0.00 175.30 173.99 2k5g s LEU 26 N -3.31 3.04 0.21 2.53 1.98 -1.26 -1.18 118.68 120.70 2k5g s LEU 26 Ca 0.29 -0.20 0.08 0.00 -2.89 0.00 0.00 54.13 51.41 2k5g s LEU 26 Cb 0.06 -1.71 -0.05 0.00 0.66 0.00 0.00 46.19 45.15 2k5g s LEU 26 CO 0.09 0.18 -0.15 -0.76 -1.89 0.00 0.00 176.35 173.82 2k5g s LEU 27 N 0.30 2.56 0.08 -0.68 1.43 0.74 -4.79 118.68 118.31 2k5g s LEU 27 Ca -0.06 -1.03 -0.23 0.00 -1.03 0.00 0.00 54.13 51.78 2k5g s LEU 27 Cb -0.15 -0.71 -0.07 0.00 0.03 0.00 0.00 46.19 45.30 2k5g s LEU 27 CO 0.04 -0.16 0.69 -2.16 0.23 0.00 0.00 176.35 174.99 2k5g s PRO 28 N -3.64 4.41 0.00 1.29 0.05 -1.26 0.43 135.00 136.28 2k5g s PRO 28 Ca 0.23 0.95 0.00 0.00 0.05 0.00 0.00 61.00 62.24 2k5g s PRO 28 Cb -0.01 -3.30 0.00 0.00 0.05 0.00 0.00 34.50 31.25 2k5g s PRO 28 CO 0.08 0.48 0.00 0.41 0.05 0.00 0.00 177.00 178.02 2k5g n GLY 29 N 1.97 2.89 0.20 0.56 0.00 0.29 -4.35 105.19 106.75 2k5g n GLY 29 Ca -0.06 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.40 0.00 1.61 0.13 -1.78 -2.28 132.00 129.27 2k5g h PRO 30 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2k5g h PRO 30 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2k5g h PRO 30 CO 0.00 -0.10 0.00 1.51 -0.23 0.00 0.00 178.00 179.18 2k5g n ILE 31 N -5.15 0.00 0.20 -3.56 3.06 -1.26 -4.11 119.36 108.54 2k5g n ILE 31 Ca -0.10 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.20 2k5g n ILE 31 Cb 0.25 0.00 0.41 0.00 0.54 0.00 0.00 39.64 40.84 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 2k5g h GLU 32 N 0.00 0.00 -0.22 9.51 4.22 -1.92 -2.93 114.58 123.24 2k5g h GLU 32 Ca 0.00 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.47 2k5g h GLU 32 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2k5g h GLU 32 CO 0.00 0.33 0.06 -0.09 -2.18 0.00 0.00 179.01 177.13 2k5g h ARG 33 N 0.00 0.15 -0.19 1.92 2.43 -1.92 -0.79 114.38 115.97 2k5g h ARG 33 Ca -0.00 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 2k5g h ARG 33 Cb 0.64 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2k5g h ARG 33 CO 0.04 0.10 -0.35 0.28 -1.51 0.00 0.00 179.97 178.53 2k5g h VAL 34 N 0.15 1.29 -0.23 0.20 2.07 -1.74 -2.96 116.25 115.03 2k5g h VAL 34 Ca 0.10 -1.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 2k5g h VAL 34 Cb 0.09 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2k5g h VAL 34 CO -0.12 0.44 -0.04 -0.25 0.02 0.00 0.00 177.57 177.62 2k5g h TRP 35 N 0.34 0.36 -0.80 1.57 2.91 -1.10 -2.97 115.95 116.26 2k5g h TRP 35 Ca 0.04 -0.03 0.17 0.00 1.13 0.00 0.00 58.89 60.20 2k5g h TRP 35 Cb 0.78 -0.11 -0.11 0.00 -0.51 0.00 0.00 29.16 29.22 2k5g h TRP 35 CO 0.02 0.40 0.31 0.00 -1.03 0.00 0.00 178.44 178.14 2k5g h ALA 36 N 1.63 1.17 0.00 2.65 0.00 -1.01 0.33 119.26 124.03 2k5g h ALA 36 Ca 0.07 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2k5g h ALA 36 Cb 0.29 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k5g h ALA 36 CO 0.01 -0.26 -0.35 -1.49 0.00 0.00 0.00 179.25 177.16 2k5g h TRP 37 N 0.41 0.00 0.03 0.00 6.55 -1.69 0.16 115.95 121.40 2k5g h TRP 37 Ca 0.46 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 60.09 2k5g h TRP 37 Cb 0.78 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.06 2k5g h TRP 37 CO -0.17 0.35 -0.97 -0.07 -1.05 0.00 0.00 178.44 176.53 2k5g h LEU 38 N 0.00 0.19 0.00 -4.49 3.38 -0.55 -3.39 115.31 110.45 2k5g h LEU 38 Ca -0.00 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 2k5g h LEU 38 Cb 0.72 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2k5g h LEU 38 CO 0.05 1.05 -0.98 0.00 0.09 0.00 0.00 178.44 178.64 2k5g h ALA 39 N 0.93 0.17 -1.82 1.53 0.00 -0.54 -3.46 119.26 116.08 2k5g h ALA 39 Ca -0.05 -0.96 -0.56 0.00 0.00 0.00 0.00 54.91 53.35 2k5g h ALA 39 Cb 1.65 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 20.07 2k5g h ALA 39 CO 0.14 0.62 1.37 0.34 0.00 0.00 0.00 179.25 181.72 2k5g s ASP 40 N -6.46 5.58 0.45 0.00 2.15 0.51 -4.58 116.67 114.33 2k5g s ASP 40 Ca -0.24 1.28 0.31 0.00 0.43 0.00 0.00 52.55 54.33 2k5g s ASP 40 Cb 0.04 -2.52 1.36 0.00 -0.30 0.00 0.00 42.92 41.51 2k5g s ASP 40 CO 0.46 -1.96 1.92 0.00 -0.17 0.00 0.00 175.17 175.42 2k5g h ALA 41 N 14.24 1.00 0.27 3.66 0.00 -1.87 -0.34 119.26 136.21 2k5g h ALA 41 Ca -0.33 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2k5g h ALA 41 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k5g h ALA 41 CO 1.05 0.00 -0.13 0.22 0.00 0.00 0.00 179.25 180.39 2k5g h ASP 42 N 0.00 -0.30 0.90 0.00 3.58 -1.96 -0.03 116.42 118.61 2k5g h ASP 42 Ca 0.00 -0.21 -0.13 0.00 0.42 0.00 0.00 57.03 57.10 2k5g h ASP 42 Cb 0.36 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 2k5g h ASP 42 CO 0.00 0.09 -0.63 0.07 -2.88 0.00 0.00 179.24 175.90 2k5g h LYS 43 N -0.76 0.00 -0.20 0.28 2.10 -1.90 -3.14 116.57 112.94 2k5g h LYS 43 Ca -0.04 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.57 2k5g h LYS 43 Cb 0.50 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 2k5g h LYS 43 CO 0.06 0.63 -0.06 -0.09 -2.00 0.00 0.00 179.45 177.99 2k5g h ARG 44 N 0.00 0.31 0.00 0.07 2.43 -0.98 -0.59 114.38 115.62 2k5g h ARG 44 Ca -0.01 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2k5g h ARG 44 Cb 1.25 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2k5g h ARG 44 CO 0.08 0.39 -0.04 0.00 -1.51 0.00 0.00 179.97 178.89 2k5g h ALA 45 N 1.65 1.42 -0.61 2.80 0.00 -0.94 0.35 119.26 123.92 2k5g h ALA 45 Ca 0.06 -0.03 -0.38 0.00 0.00 0.00 0.00 54.91 54.56 2k5g h ALA 45 Cb 0.30 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.86 2k5g h ALA 45 CO 0.01 0.05 0.01 0.54 0.00 0.00 0.00 179.25 179.86 2k5g n ARG 46 N -3.74 2.37 0.00 0.00 1.74 -0.24 -4.37 116.66 112.43 2k5g n ARG 46 Ca -0.03 -3.39 0.00 0.00 -0.77 0.00 0.00 57.85 53.66 2k5g n ARG 46 Cb 0.13 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.54 2k5g n ARG 46 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2k5g n TRP 47 N -1.01 0.00 0.00 -1.55 4.27 -0.89 -4.94 117.44 113.32 2k5g n TRP 47 Ca 0.43 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 54.04 2k5g n TRP 47 Cb 1.03 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.98 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 -0.24 0.00 -3.64 5.67 -0.00 0.11 -4.61 117.00 114.28 2k5g n LEU 48 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.95 2k5g n LEU 48 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 2k5g n LEU 48 CO 0.00 0.00 0.81 0.00 -0.00 0.00 0.00 177.39 178.20 2k5g s ALA 49 N -2.00 -2.10 -0.09 1.96 0.00 -0.50 -1.78 121.76 117.25 2k5g s ALA 49 Ca 0.00 1.91 -0.29 0.00 0.00 0.00 0.00 51.96 53.57 2k5g s ALA 49 Cb 0.00 -1.57 -0.07 0.00 0.00 0.00 0.00 23.12 21.48 2k5g s ALA 49 CO 0.00 -0.23 2.01 0.20 0.00 0.00 0.00 175.76 177.73 2k5g s GLY 50 N 0.42 1.08 0.00 0.00 0.00 -1.26 -4.12 107.32 103.45 2k5g s GLY 50 Ca 0.01 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.74 2k5g s GLY 50 CO -0.10 3.52 0.00 0.61 0.00 0.00 0.00 173.10 177.14 2k5g n GLY 51 N 4.99 0.84 3.82 0.20 0.00 -1.26 -2.50 105.19 111.28 2k5g n GLY 51 Ca 0.23 0.56 -0.29 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 0.93 0.07 1.61 -1.05 -1.26 -4.82 118.70 114.19 2k5g s GLU 52 Ca 0.00 0.04 -0.12 0.00 -0.15 0.00 0.00 54.97 54.74 2k5g s GLU 52 Cb 0.00 -1.84 -0.06 0.00 -0.44 0.00 0.00 34.13 31.79 2k5g s GLU 52 CO 0.00 -2.29 0.44 -0.51 0.95 0.00 0.00 175.26 173.84 2k5g s LEU 53 N -6.00 4.38 0.00 1.83 1.43 -1.26 -4.73 118.68 114.32 2k5g s LEU 53 Ca 0.67 0.90 -0.07 0.00 -1.03 0.00 0.00 54.13 54.60 2k5g s LEU 53 Cb -0.11 -2.95 0.09 0.00 0.03 0.00 0.00 46.19 43.26 2k5g s LEU 53 CO 0.53 0.19 0.39 -2.65 0.23 0.00 0.00 176.35 175.04 2k5g n PRO 54 N 1.11 -1.37 -0.06 1.29 -0.02 -1.26 -5.04 135.00 129.65 2k5g n PRO 54 Ca -0.09 -0.61 -0.06 0.00 -2.02 0.00 0.00 63.50 60.72 2k5g n PRO 54 Cb 0.52 -0.52 -0.09 0.00 -0.02 0.00 0.00 33.50 33.39 2k5g n PRO 54 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2k5g n ARG 55 N -2.43 1.89 -3.64 -0.52 1.74 -1.26 -4.99 116.66 107.45 2k5g n ARG 55 Ca 0.05 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.84 2k5g n ARG 55 Cb 0.20 -1.31 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 2k5g n ARG 55 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2k5g s GLN 56 N -2.29 3.59 -0.48 5.56 -0.21 -1.26 -5.02 119.66 119.55 2k5g s GLN 56 Ca -0.07 -0.16 -0.25 0.00 0.02 0.00 0.00 55.36 54.90 2k5g s GLN 56 Cb 0.04 -2.82 0.03 0.00 1.00 0.00 0.00 33.01 31.25 2k5g s GLN 56 CO 0.47 0.42 0.90 -1.25 -2.12 0.00 0.00 175.29 173.71 2k5g s PRO 57 N -2.97 3.47 0.00 2.91 0.04 -1.26 -3.55 135.00 133.63 2k5g s PRO 57 Ca 0.41 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.47 2k5g s PRO 57 Cb -0.12 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2k5g s PRO 57 CO 0.27 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.47 2k5g n GLY 58 N 4.98 1.04 3.91 0.56 0.00 -0.58 -4.99 105.19 110.11 2k5g n GLY 58 Ca 0.04 0.00 -0.28 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 -0.04 1.95 -0.09 1.61 -0.21 -1.23 -4.80 119.66 116.85 2k5g s GLN 59 Ca 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 55.36 55.38 2k5g s GLN 59 Cb 0.00 -2.00 -0.02 0.00 1.00 0.00 0.00 33.01 31.99 2k5g s GLN 59 CO 0.00 -1.55 -0.11 0.95 -2.12 0.00 0.00 175.29 172.45 2k5g s THR 60 N -3.51 3.26 0.22 -0.19 -4.23 -1.26 -1.53 115.64 108.39 2k5g s THR 60 Ca 0.62 -0.62 0.09 0.00 -1.18 0.00 0.00 61.69 60.60 2k5g s THR 60 Cb -0.11 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 2k5g s THR 60 CO 0.48 0.56 -0.03 0.72 -0.54 0.00 0.00 174.62 175.81 2k5g s PHE 61 N -0.28 2.71 -0.28 3.99 -0.71 -0.26 -4.91 117.98 118.22 2k5g s PHE 61 Ca 0.03 -0.20 -0.09 0.00 -1.04 0.00 0.00 56.93 55.62 2k5g s PHE 61 Cb -0.13 -1.27 -0.03 0.00 -1.21 0.00 0.00 43.02 40.39 2k5g s PHE 61 CO 0.03 0.56 0.14 -1.21 -1.34 0.00 0.00 175.22 173.40 2k5g s GLU 62 N -3.23 3.63 0.32 1.99 2.02 -1.26 -1.87 118.70 120.31 2k5g s GLU 62 Ca 0.28 -0.52 0.04 0.00 0.02 0.00 0.00 54.97 54.80 2k5g s GLU 62 Cb -0.08 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 2k5g s GLU 62 CO 0.18 -0.27 0.19 -0.48 0.02 0.00 0.00 175.26 174.90 2k5g s LEU 63 N 1.66 1.71 0.29 1.80 2.34 -1.25 -4.40 118.68 120.83 2k5g s LEU 63 Ca 0.06 -1.64 -0.20 0.00 0.06 0.00 0.00 54.13 52.41 2k5g s LEU 63 Cb -0.16 0.28 -0.09 0.00 -0.56 0.00 0.00 46.19 45.66 2k5g s LEU 63 CO 0.07 -0.95 0.79 -1.00 -1.06 0.00 0.00 176.35 174.20 2k5g s HIS 64 N -3.53 3.56 -2.02 3.48 3.76 -1.04 -1.57 115.29 117.93 2k5g s HIS 64 Ca 0.36 1.45 0.18 0.00 -0.15 0.00 0.00 55.06 56.90 2k5g s HIS 64 Cb 0.04 -2.68 1.07 0.00 1.11 0.00 0.00 32.58 32.11 2k5g s HIS 64 CO 0.20 0.21 1.69 0.34 -0.85 0.00 0.00 174.74 176.33 2k5g n PHE 65 N 0.29 0.01 -1.73 1.40 7.35 0.15 -4.66 117.46 120.27 2k5g n PHE 65 Ca 0.01 -0.01 -0.37 0.00 -0.76 0.00 0.00 57.45 56.32 2k5g n PHE 65 Cb 0.52 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.32 2k5g n PHE 65 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2k5g s ASN 66 N -1.57 4.75 -1.18 -2.13 2.47 -1.26 -4.85 114.94 111.17 2k5g s ASN 66 Ca 0.28 0.83 -0.18 0.00 0.42 0.00 0.00 52.86 54.21 2k5g s ASN 66 Cb 0.13 -2.51 -0.03 0.00 -1.45 0.00 0.00 41.25 37.38 2k5g s ASN 66 CO 0.22 -2.68 2.02 0.00 -3.72 0.00 0.00 177.10 172.93 2k5g n HIS 67 N 14.70 3.09 -3.86 0.43 -0.00 -1.26 -4.39 115.22 123.93 2k5g n HIS 67 Ca 0.31 -2.41 -0.28 0.00 -0.00 0.00 0.00 57.72 55.34 2k5g n HIS 67 Cb 0.54 -2.30 0.03 0.00 -0.00 0.00 0.00 29.99 28.25 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2k5g n ALA 68 N 7.84 -1.48 -0.20 1.59 0.00 -0.74 -4.28 120.51 123.24 2k5g n ALA 68 Ca 0.50 0.10 0.04 0.00 0.00 0.00 0.00 53.44 54.08 2k5g n ALA 68 Cb 0.41 -3.84 0.31 0.00 0.00 0.00 0.00 19.45 16.33 2k5g n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5g h ALA 69 N 0.94 1.60 0.00 0.00 0.00 -1.78 -3.45 119.26 116.57 2k5g h ALA 69 Ca -0.59 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2k5g h ALA 69 Cb 1.37 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k5g h ALA 69 CO 0.64 0.31 0.00 -0.11 0.00 0.00 0.00 179.25 180.10 2k5g n LEU 70 N -4.46 0.00 -3.86 0.00 -0.00 -1.26 -4.62 117.00 102.80 2k5g n LEU 70 Ca 0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.99 2k5g n LEU 70 Cb 0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.46 2k5g n LEU 70 CO 0.34 0.00 -0.18 0.28 -0.00 0.00 0.00 177.39 177.83 2k5g s THR 71 N 0.00 0.06 -0.10 1.96 -1.32 -1.26 -4.96 115.64 110.01 2k5g s THR 71 Ca 0.00 -0.48 -0.02 0.00 -1.21 0.00 0.00 61.69 59.98 2k5g s THR 71 Cb 0.00 -0.36 -0.25 0.00 -1.51 0.00 0.00 72.50 70.37 2k5g s THR 71 CO 0.00 -0.26 0.42 0.00 -2.21 0.00 0.00 174.62 172.57 2k5g n ALA 72 N 1.94 1.04 -0.33 11.08 0.00 -1.26 -4.87 120.51 128.11 2k5g n ALA 72 Ca -0.20 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2k5g n ALA 72 Cb 0.57 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2k5g n ALA 72 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k5g n GLU 73 N -3.37 0.00 -3.77 0.00 0.00 -1.26 -4.31 120.64 107.92 2k5g n GLU 73 Ca -0.29 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 56.71 2k5g n GLU 73 Cb 1.05 0.00 -0.17 0.00 0.00 0.00 0.00 31.44 32.32 2k5g n GLU 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2k5g s THR 74 N 0.00 -0.02 -0.45 6.31 2.01 -1.26 -5.11 115.64 117.12 2k5g s THR 74 Ca 0.00 0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.26 2k5g s THR 74 Cb 0.00 -0.14 0.14 0.00 0.01 0.00 0.00 72.50 72.51 2k5g s THR 74 CO 0.00 0.12 0.27 0.00 -0.69 0.00 0.00 174.62 174.33 2k5g s ALA 75 N 1.33 2.01 0.12 7.40 0.00 -1.26 -4.97 121.76 126.39 2k5g s ALA 75 Ca -0.06 -2.57 -0.28 0.00 0.00 0.00 0.00 51.96 49.05 2k5g s ALA 75 Cb -0.13 -1.83 -0.07 0.00 0.00 0.00 0.00 23.12 21.10 2k5g s ALA 75 CO -0.03 -2.06 1.62 -1.00 0.00 0.00 0.00 175.76 174.29 2k5g h PRO 76 N 6.50 -0.48 0.00 0.00 0.13 -1.96 -3.40 132.00 132.79 2k5g h PRO 76 Ca 0.06 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2k5g h PRO 76 Cb 0.92 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2k5g h PRO 76 CO 0.45 -0.32 0.00 0.00 -0.23 0.00 0.00 178.00 177.91 2k5g n ALA 77 N -2.72 0.00 0.34 -0.56 0.00 -1.26 -4.88 120.51 111.42 2k5g n ALA 77 Ca -0.06 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.57 2k5g n ALA 77 Cb 0.32 0.00 1.02 0.00 0.00 0.00 0.00 19.45 20.79 2k5g n ALA 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2k5g h ARG 78 N 0.00 0.00 0.00 0.00 2.43 -2.00 -1.29 114.38 113.52 2k5g h ARG 78 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k5g h ARG 78 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2k5g h ARG 78 CO 0.00 0.00 -0.99 0.66 -1.51 0.00 0.00 179.97 178.13 2k5g n TYR 79 N -2.99 0.00 0.08 2.20 4.02 -1.26 -4.54 117.16 114.67 2k5g n TYR 79 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.83 2k5g n TYR 79 Cb 0.23 -0.11 -0.07 0.00 -0.02 0.00 0.00 39.34 39.37 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k5g h ALA 80 N 0.76 0.51 -0.93 -0.72 0.00 -1.48 -3.34 119.26 114.05 2k5g h ALA 80 Ca 0.00 -0.80 0.13 0.00 0.00 0.00 0.00 54.91 54.24 2k5g h ALA 80 Cb 0.27 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 2k5g h ALA 80 CO 0.00 1.05 0.55 0.37 0.00 0.00 0.00 179.25 181.22 2k5g h GLN 81 N 0.00 0.80 -0.34 0.00 4.15 -1.63 -2.05 115.11 116.04 2k5g h GLN 81 Ca -0.04 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2k5g h GLN 81 Cb 1.65 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.16 2k5g h GLN 81 CO 0.10 0.53 0.00 2.48 -1.93 0.00 0.00 178.83 180.01 2k5g n TYR 82 N -4.73 1.17 1.85 3.99 0.18 -1.25 -4.30 117.16 114.06 2k5g n TYR 82 Ca 0.18 -0.83 0.15 0.00 1.88 0.00 0.00 57.90 59.28 2k5g n TYR 82 Cb 0.40 -0.34 0.79 0.00 -0.38 0.00 0.00 39.34 39.80 2k5g n TYR 82 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2k5g n ASP 83 N -0.20 0.43 -4.91 9.48 2.03 -0.77 -4.70 116.55 117.90 2k5g n ASP 83 Ca 0.22 -1.19 -0.30 0.00 0.52 0.00 0.00 54.79 54.04 2k5g n ASP 83 Cb 0.94 -0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.29 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 -1.99 3.54 -0.34 -0.67 3.00 -1.26 -5.01 118.95 116.21 2k5g s ARG 84 Ca 0.43 -0.26 -0.28 0.00 0.00 0.00 0.00 55.73 55.62 2k5g s ARG 84 Cb 0.21 -2.90 -0.04 0.00 0.00 0.00 0.00 34.95 32.21 2k5g s ARG 84 CO 0.34 0.49 2.12 -1.25 0.00 0.00 0.00 175.30 177.00 2k5g s PRO 85 N -2.81 2.92 -0.06 3.54 0.04 -1.26 -4.89 135.00 132.49 2k5g s PRO 85 Ca 0.39 1.62 0.04 0.00 0.04 0.00 0.00 61.00 63.09 2k5g s PRO 85 Cb -0.12 -4.37 -0.00 0.00 0.04 0.00 0.00 34.50 30.05 2k5g s PRO 85 CO 0.27 -2.34 -0.19 0.42 0.04 0.00 0.00 177.00 175.19 2k5g s ILE 86 N 8.82 1.63 -0.12 0.56 1.01 -1.26 -5.06 121.20 126.78 2k5g s ILE 86 Ca 0.92 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 60.70 2k5g s ILE 86 Cb -0.25 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 2k5g s ILE 86 CO 0.32 0.46 0.08 0.54 0.00 0.00 0.00 174.94 176.34 2k5g s VAL 87 N 0.13 5.02 -0.19 2.92 0.11 -1.26 0.32 120.40 127.45 2k5g s VAL 87 Ca -0.08 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 58.95 2k5g s VAL 87 Cb -0.14 -3.18 0.10 0.00 -1.53 0.00 0.00 36.38 31.63 2k5g s VAL 87 CO 0.04 0.58 0.35 0.00 -3.33 0.00 0.00 175.10 172.74 2k5g s ALA 88 N -0.69 -0.91 0.66 1.54 0.00 -0.61 -4.78 121.76 116.96 2k5g s ALA 88 Ca 0.12 1.09 -0.15 0.00 0.00 0.00 0.00 51.96 53.03 2k5g s ALA 88 Cb -0.12 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.66 2k5g s ALA 88 CO 0.03 -0.90 1.11 -0.98 0.00 0.00 0.00 175.76 175.01 2k5g s ARG 89 N 2.52 2.81 -0.10 0.00 1.04 -1.26 -3.94 118.95 120.02 2k5g s ARG 89 Ca 0.04 1.37 -0.10 0.00 -1.04 0.00 0.00 55.73 55.99 2k5g s ARG 89 Cb -0.13 -1.95 0.03 0.00 -2.04 0.00 0.00 34.95 30.85 2k5g s ARG 89 CO -0.12 -1.24 0.29 -1.01 -0.04 0.00 0.00 175.30 173.18 2k5g s HIS 90 N -2.37 -0.30 0.05 5.89 3.76 -0.78 -4.91 115.29 116.62 2k5g s HIS 90 Ca 0.66 0.73 -0.24 0.00 -0.15 0.00 0.00 55.06 56.07 2k5g s HIS 90 Cb -0.20 0.10 -0.06 0.00 1.11 0.00 0.00 32.58 33.54 2k5g s HIS 90 CO 0.42 -0.17 0.72 0.99 -0.85 0.00 0.00 174.74 175.85 2k5g s THR 91 N 0.03 4.74 0.01 1.30 2.01 -1.26 -1.11 115.64 121.37 2k5g s THR 91 Ca -0.01 1.53 -0.07 0.00 0.31 0.00 0.00 61.69 63.45 2k5g s THR 91 Cb -0.02 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2k5g s THR 91 CO 0.01 0.40 0.28 -1.48 -0.69 0.00 0.00 174.62 173.13 2k5g s LEU 92 N -0.22 4.37 0.00 4.42 2.34 -0.58 -0.34 118.68 128.66 2k5g s LEU 92 Ca 0.36 0.58 0.00 0.00 0.06 0.00 0.00 54.13 55.13 2k5g s LEU 92 Cb -0.20 -2.67 0.00 0.00 -0.56 0.00 0.00 46.19 42.76 2k5g s LEU 92 CO 0.22 0.25 0.00 -0.11 -1.06 0.00 0.00 176.35 175.65 2k5g n LEU 93 N 1.14 0.27 -4.28 1.48 7.94 0.73 -1.53 117.00 122.76 2k5g n LEU 93 Ca -0.11 0.15 -0.31 0.00 -1.11 0.00 0.00 56.01 54.62 2k5g n LEU 93 Cb 0.53 -0.38 -0.16 0.00 0.53 0.00 0.00 43.42 43.93 2k5g n LEU 93 CO 0.41 -0.38 -0.57 -0.60 -1.11 0.00 0.00 177.39 175.14 2k5g s ARG 94 N -0.77 2.44 -0.31 1.96 3.52 -1.22 -3.64 118.95 120.94 2k5g s ARG 94 Ca 0.00 -0.91 -0.02 0.00 -0.13 0.00 0.00 55.73 54.66 2k5g s ARG 94 Cb 0.00 -2.13 0.10 0.00 -1.56 0.00 0.00 34.95 31.36 2k5g s ARG 94 CO 0.00 0.43 0.13 0.00 -0.81 0.00 0.00 175.30 175.04 2k5g s GLU 96 N 1.80 1.83 0.11 0.00 2.02 0.69 -4.99 118.70 120.17 2k5g s GLU 96 Ca 0.10 -2.59 -0.28 0.00 0.02 0.00 0.00 54.97 52.22 2k5g s GLU 96 Cb -0.17 -2.95 -0.06 0.00 0.10 0.00 0.00 34.13 31.05 2k5g s GLU 96 CO -0.29 -1.18 0.89 -2.14 0.02 0.00 0.00 175.26 172.56 2k5g s PRO 97 N -0.36 4.65 -0.46 0.39 0.02 -1.26 -0.24 135.00 137.74 2k5g s PRO 97 Ca 0.20 1.33 -0.13 0.00 0.02 0.00 0.00 61.00 62.42 2k5g s PRO 97 Cb -0.19 -3.35 0.08 0.00 0.02 0.00 0.00 34.50 31.06 2k5g s PRO 97 CO -0.05 0.29 0.36 -1.25 -0.33 0.00 0.00 177.00 176.03 2k5g s PRO 98 N -0.23 2.84 0.10 5.54 0.04 -1.26 -5.02 135.00 137.00 2k5g s PRO 98 Ca 0.43 -1.45 0.00 0.00 0.04 0.00 0.00 61.00 60.02 2k5g s PRO 98 Cb -0.23 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2k5g s PRO 98 CO 0.28 -1.05 0.00 -2.13 0.04 0.00 0.00 177.00 174.14 2k5g n ARG 99 N 5.10 0.00 -4.42 4.56 3.00 0.67 -4.78 116.66 120.79 2k5g n ARG 99 Ca -0.12 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.52 2k5g n ARG 99 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.73 2k5g n ARG 99 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2k5g s VAL 100 N -1.20 0.86 0.00 5.15 1.01 -0.73 -1.10 120.40 124.40 2k5g s VAL 100 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2k5g s VAL 100 Cb 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 2k5g s VAL 100 CO 0.00 0.28 -0.06 -1.48 0.00 0.00 0.00 175.10 173.83 2k5g s LEU 101 N 0.43 2.05 0.02 3.92 0.05 -0.41 -0.22 118.68 124.51 2k5g s LEU 101 Ca -0.08 -0.18 -0.06 0.00 0.05 0.00 0.00 54.13 53.87 2k5g s LEU 101 Cb -0.12 -0.29 -0.00 0.00 -2.05 0.00 0.00 46.19 43.73 2k5g s LEU 101 CO 0.01 0.03 0.11 0.00 -0.55 0.00 0.00 176.35 175.96 2k5g s ALA 102 N -0.33 -0.20 0.33 1.48 0.00 0.15 0.12 121.76 123.30 2k5g s ALA 102 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 2k5g s ALA 102 Cb -0.03 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.26 2k5g s ALA 102 CO -0.00 -0.25 0.50 -0.48 0.00 0.00 0.00 175.76 175.53 2k5g s LEU 103 N -1.67 0.83 0.07 0.00 2.34 0.18 -0.19 118.68 120.23 2k5g s LEU 103 Ca -0.11 -1.39 0.09 0.00 0.06 0.00 0.00 54.13 52.78 2k5g s LEU 103 Cb -0.05 1.62 -0.03 0.00 -0.56 0.00 0.00 46.19 47.17 2k5g s LEU 103 CO -0.01 -1.31 -0.24 0.28 -1.06 0.00 0.00 176.35 174.01 2k5g s THR 104 N -3.11 1.94 -0.52 5.48 -1.32 0.53 0.98 115.64 119.62 2k5g s THR 104 Ca 0.28 -1.41 0.01 0.00 -1.21 0.00 0.00 61.69 59.37 2k5g s THR 104 Cb -0.01 -1.69 0.13 0.00 -1.51 0.00 0.00 72.50 69.43 2k5g s THR 104 CO 0.18 0.20 0.28 0.86 -2.21 0.00 0.00 174.62 173.94 2k5g s TRP 105 N -0.90 3.36 -5.00 9.09 -0.11 0.28 -4.09 118.94 121.58 2k5g s TRP 105 Ca 0.10 -2.95 0.00 0.00 1.22 0.00 0.00 56.10 54.47 2k5g s TRP 105 Cb -0.10 -2.99 0.00 0.00 -1.50 0.00 0.00 33.47 28.89 2k5g s TRP 105 CO 0.03 -0.82 0.00 0.41 -4.62 0.00 0.00 176.95 171.95 2k5g n GLY 106 N 3.49 0.08 0.00 5.86 0.00 -1.26 -3.59 105.19 109.76 2k5g n GLY 106 Ca 0.05 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 3.06 2.44 -0.02 0.00 -1.26 -4.90 105.19 104.52 2k5g n GLY 107 Ca 0.00 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 4.73 3.55 -0.02 0.00 -1.26 -4.86 105.19 107.33 2k5g n GLY 108 Ca 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 2k5g n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g s ALA 109 N 0.63 0.16 -0.00 4.61 0.00 -1.26 -4.97 121.76 120.92 2k5g s ALA 109 Ca 0.60 -1.14 0.11 0.00 0.00 0.00 0.00 51.96 51.52 2k5g s ALA 109 Cb 0.17 1.08 -0.14 0.00 0.00 0.00 0.00 23.12 24.23 2k5g s ALA 109 CO -0.07 -0.83 1.16 0.78 0.00 0.00 0.00 175.76 176.79 2k5g h GLY 110 N 2.20 0.00 -2.53 0.00 0.00 -1.88 -3.47 103.07 97.39 2k5g h GLY 110 Ca -0.28 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.59 2k5g h GLY 110 CO 0.38 0.00 -0.18 1.85 0.00 0.00 0.00 176.54 178.59 2k5g s GLU 111 N -2.77 3.26 0.44 4.80 2.56 -1.26 -5.02 118.70 120.71 2k5g s GLU 111 Ca 0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 54.97 54.22 2k5g s GLU 111 Cb 0.09 -2.65 -0.08 0.00 2.00 0.00 0.00 34.13 33.49 2k5g s GLU 111 CO 0.80 -0.02 1.29 0.00 -0.56 0.00 0.00 175.26 176.77 2k5g s ALA 112 N -2.38 3.14 -0.09 6.30 0.00 -1.26 -4.83 121.76 122.63 2k5g s ALA 112 Ca 0.44 1.21 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 2k5g s ALA 112 Cb -0.10 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2k5g s ALA 112 CO 0.36 -0.89 1.39 -2.14 0.00 0.00 0.00 175.76 174.47 2k5g s PRO 113 N -2.43 4.24 0.62 0.00 0.02 -1.26 -4.82 135.00 131.36 2k5g s PRO 113 Ca 0.60 1.86 -0.18 0.00 0.02 0.00 0.00 61.00 63.31 2k5g s PRO 113 Cb -0.37 -3.76 -0.02 0.00 0.02 0.00 0.00 34.50 30.37 2k5g s PRO 113 CO 0.47 -0.69 1.17 -1.54 -0.33 0.00 0.00 177.00 176.08 2k5g s SER 114 N 2.26 5.11 0.17 2.53 1.04 -1.24 -4.60 113.70 118.97 2k5g s SER 114 Ca 0.62 2.27 0.06 0.00 0.48 0.00 0.00 55.95 59.38 2k5g s SER 114 Cb -0.27 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.23 2k5g s SER 114 CO 0.22 -1.64 0.08 -0.70 0.98 0.00 0.00 173.24 172.17 2k5g s GLU 115 N -3.56 2.69 -0.09 4.02 2.12 -0.08 0.10 118.70 123.91 2k5g s GLU 115 Ca 0.74 -0.97 0.02 0.00 0.36 0.00 0.00 54.97 55.12 2k5g s GLU 115 Cb -0.27 -2.53 0.02 0.00 0.26 0.00 0.00 34.13 31.61 2k5g s GLU 115 CO 0.35 0.47 -0.13 0.08 -0.54 0.00 0.00 175.26 175.50 2k5g s VAL 116 N -1.73 1.26 -0.16 3.70 1.01 0.28 0.49 120.40 125.24 2k5g s VAL 116 Ca 0.29 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 2k5g s VAL 116 Cb -0.10 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 2k5g s VAL 116 CO 0.21 0.39 -0.11 -0.22 0.00 0.00 0.00 175.10 175.37 2k5g s LEU 117 N 0.92 2.72 -0.24 3.92 1.98 0.20 -0.65 118.68 127.53 2k5g s LEU 117 Ca -0.09 -0.37 -0.06 0.00 -2.89 0.00 0.00 54.13 50.72 2k5g s LEU 117 Cb -0.15 -1.64 -0.02 0.00 0.66 0.00 0.00 46.19 45.04 2k5g s LEU 117 CO 0.00 0.10 0.04 -0.36 -1.89 0.00 0.00 176.35 174.25 2k5g s PHE 118 N 0.71 3.05 -0.22 5.38 0.08 0.12 -1.27 117.98 125.84 2k5g s PHE 118 Ca -0.05 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.46 2k5g s PHE 118 Cb -0.15 -2.20 0.04 0.00 -0.57 0.00 0.00 43.02 40.14 2k5g s PHE 118 CO 0.02 -0.40 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.40 2k5g s GLU 119 N 1.56 2.34 -0.13 0.44 2.02 -1.21 -1.29 118.70 122.42 2k5g s GLU 119 Ca 0.06 -1.04 -0.10 0.00 0.02 0.00 0.00 54.97 53.92 2k5g s GLU 119 Cb -0.15 -2.64 -0.05 0.00 0.10 0.00 0.00 34.13 31.40 2k5g s GLU 119 CO 0.02 -0.43 0.19 -0.51 0.02 0.00 0.00 175.26 174.55 2k5g s LEU 120 N 1.26 4.33 0.11 1.80 1.43 -0.26 -2.86 118.68 124.50 2k5g s LEU 120 Ca -0.03 0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.63 2k5g s LEU 120 Cb -0.17 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 2k5g s LEU 120 CO -0.08 0.30 -0.21 -0.44 0.23 0.00 0.00 176.35 176.15 2k5g s SER 121 N -0.46 2.61 -0.12 2.29 0.01 0.13 -4.78 113.70 113.38 2k5g s SER 121 Ca 0.15 -0.72 -0.08 0.00 1.31 0.00 0.00 55.95 56.60 2k5g s SER 121 Cb -0.12 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2k5g s SER 121 CO 0.04 0.05 0.17 -1.83 0.41 0.00 0.00 173.24 172.08 2k5g s GLU 122 N -2.05 3.62 -0.06 12.44 1.03 -1.26 -0.37 118.70 132.05 2k5g s GLU 122 Ca 0.08 -0.08 0.10 0.00 0.03 0.00 0.00 54.97 55.10 2k5g s GLU 122 Cb -0.09 -3.23 0.16 0.00 -0.80 0.00 0.00 34.13 30.17 2k5g s GLU 122 CO 0.05 0.68 1.08 0.00 -1.33 0.00 0.00 175.26 175.74 2k5g n ALA 123 N 2.24 2.21 0.00 -0.84 0.00 0.12 -4.87 120.51 119.38 2k5g n ALA 123 Ca -0.19 -1.85 0.00 0.00 0.00 0.00 0.00 53.44 51.41 2k5g n ALA 123 Cb 0.54 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.58 1.47 0.21 0.00 0.00 -1.26 -3.71 105.19 101.32 2k5g n GLY 124 Ca 0.08 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 0.66 -4.39 1.61 1.02 -1.26 -3.47 120.64 114.80 2k5g n GLU 125 Ca 0.00 -0.43 -0.20 0.00 -0.02 0.00 0.00 57.16 56.51 2k5g n GLU 125 Cb 0.00 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 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 -2.63 1.45 -0.07 3.49 -0.21 -0.86 -0.55 119.66 120.28 2k5g s GLN 126 Ca 0.20 -1.67 -0.00 0.00 0.02 0.00 0.00 55.36 53.91 2k5g s GLN 126 Cb 0.18 -1.29 0.02 0.00 1.00 0.00 0.00 33.01 32.93 2k5g s GLN 126 CO 0.59 0.20 -0.04 0.08 -2.12 0.00 0.00 175.29 174.00 2k5g s VAL 127 N -2.86 0.65 -0.14 1.09 1.01 0.17 0.16 120.40 120.48 2k5g s VAL 127 Ca 0.25 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 2k5g s VAL 127 Cb -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2k5g s VAL 127 CO 0.10 0.29 0.68 -0.13 0.00 0.00 0.00 175.10 176.04 2k5g s ARG 128 N 1.51 4.31 -0.08 2.72 0.52 0.50 -0.18 118.95 128.25 2k5g s ARG 128 Ca -0.01 0.77 0.02 0.00 -0.52 0.00 0.00 55.73 55.99 2k5g s ARG 128 Cb -0.13 -3.52 0.02 0.00 0.52 0.00 0.00 34.95 31.83 2k5g s ARG 128 CO -0.04 -0.13 -0.12 -1.17 0.02 0.00 0.00 175.30 173.86 2k5g s LEU 129 N 1.51 1.57 -0.07 2.53 2.96 -0.32 0.20 118.68 127.06 2k5g s LEU 129 Ca 0.33 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 2k5g s LEU 129 Cb -0.17 -0.85 -0.01 0.00 0.50 0.00 0.00 46.19 45.66 2k5g s LEU 129 CO 0.13 0.00 -0.21 0.54 -1.32 0.00 0.00 176.35 175.50 2k5g s VAL 130 N 0.88 2.42 -0.31 1.68 0.11 -1.13 0.30 120.40 124.35 2k5g s VAL 130 Ca -0.10 -0.93 -0.22 0.00 -2.93 0.00 0.00 61.98 57.80 2k5g s VAL 130 Cb -0.15 -1.92 -0.00 0.00 -1.53 0.00 0.00 36.38 32.77 2k5g s VAL 130 CO 0.01 0.56 0.73 -0.22 -3.33 0.00 0.00 175.10 172.85 2k5g s LEU 131 N -0.11 4.11 -0.36 2.54 1.98 0.17 -3.35 118.68 123.66 2k5g s LEU 131 Ca -0.04 0.57 0.03 0.00 -2.89 0.00 0.00 54.13 51.80 2k5g s LEU 131 Cb -0.14 -2.98 0.10 0.00 0.66 0.00 0.00 46.19 43.83 2k5g s LEU 131 CO 0.04 -0.57 0.08 -0.89 -1.89 0.00 0.00 176.35 173.13 2k5g s THR 132 N 2.83 2.46 -0.41 3.68 2.01 -0.39 -1.62 115.64 124.18 2k5g s THR 132 Ca 0.30 -2.33 -0.14 0.00 0.31 0.00 0.00 61.69 59.83 2k5g s THR 132 Cb -0.14 -2.79 0.03 0.00 0.01 0.00 0.00 72.50 69.61 2k5g s THR 132 CO 0.12 -0.62 0.29 -2.28 -0.69 0.00 0.00 174.62 171.45 2k5g s HIS 133 N 0.90 3.24 0.44 4.92 2.46 0.17 0.58 115.29 128.01 2k5g s HIS 133 Ca 0.11 -0.74 0.05 0.00 0.47 0.00 0.00 55.06 54.95 2k5g s HIS 133 Cb -0.20 -2.65 0.05 0.00 -0.13 0.00 0.00 32.58 29.65 2k5g s HIS 133 CO -0.07 -0.64 0.43 0.25 -2.47 0.00 0.00 174.74 172.23 2k5g n THR 134 N 5.13 0.00 -2.18 0.89 -2.24 0.18 -1.84 114.28 114.21 2k5g n THR 134 Ca -0.11 -1.64 -0.21 0.00 -2.27 0.00 0.00 64.05 59.82 2k5g n THR 134 Cb 0.46 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.67 -1.62 -2.59 -0.78 1.74 -1.26 -0.90 116.66 109.57 2k5g n ARG 135 Ca 0.03 1.07 -0.41 0.00 -0.77 0.00 0.00 57.85 57.77 2k5g n ARG 135 Cb 0.48 -5.67 -0.03 0.00 -1.02 0.00 0.00 32.46 26.22 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 -5.69 3.32 0.29 0.55 1.43 -1.26 -3.98 118.68 113.33 2k5g s LEU 136 Ca 0.00 -0.54 0.25 0.00 -1.03 0.00 0.00 54.13 52.81 2k5g s LEU 136 Cb 0.00 -2.54 0.67 0.00 0.03 0.00 0.00 46.19 44.34 2k5g s LEU 136 CO 0.00 -1.78 1.72 0.00 0.23 0.00 0.00 176.35 176.52 2k5g h ALA 137 N 9.96 1.00 -2.17 4.21 0.00 -1.90 -3.46 119.26 126.91 2k5g h ALA 137 Ca -0.27 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2k5g h ALA 137 Cb 1.05 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.64 2k5g h ALA 137 CO 1.27 0.00 0.05 0.34 0.00 0.00 0.00 179.25 180.91 2k5g s ASP 138 N -5.08 -0.57 0.60 0.00 -1.08 -1.26 -5.01 116.67 104.28 2k5g s ASP 138 Ca 0.09 0.77 0.35 0.00 -0.52 0.00 0.00 52.55 53.25 2k5g s ASP 138 Cb 0.10 0.73 1.96 0.00 -1.46 0.00 0.00 42.92 44.25 2k5g s ASP 138 CO 0.62 -0.46 2.25 0.03 0.52 0.00 0.00 175.17 178.13 2k5g h ARG 139 N 3.84 0.00 -0.43 4.34 3.08 -1.98 0.16 114.38 123.40 2k5g h ARG 139 Ca -0.28 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 2k5g h ARG 139 Cb 1.16 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 2k5g h ARG 139 CO 0.30 0.02 0.06 0.00 -1.07 0.00 0.00 179.97 179.28 2k5g h ALA 140 N 1.98 1.31 -0.13 0.04 0.00 -1.96 0.75 119.26 121.24 2k5g h ALA 140 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2k5g h ALA 140 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k5g h ALA 140 CO 0.00 0.48 0.04 0.00 0.00 0.00 0.00 179.25 179.77 2k5g h ALA 141 N 1.44 0.17 -0.71 0.00 0.00 -1.10 0.41 119.26 119.48 2k5g h ALA 141 Ca 0.14 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.07 2k5g h ALA 141 Cb 0.31 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 2k5g h ALA 141 CO 0.00 -0.20 0.11 0.52 0.00 0.00 0.00 179.25 179.68 2k5g h MET 142 N 0.02 0.20 -0.29 0.00 2.07 -1.08 0.15 114.93 115.99 2k5g h MET 142 Ca 0.04 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.62 2k5g h MET 142 Cb 0.24 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 29.91 2k5g h MET 142 CO -0.00 0.13 0.02 1.25 1.07 0.00 0.00 176.91 179.38 2k5g h LEU 143 N 0.20 0.41 -0.16 1.22 6.46 -0.28 0.36 115.31 123.53 2k5g h LEU 143 Ca 0.39 -0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 58.04 2k5g h LEU 143 Cb 0.67 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2k5g h LEU 143 CO -0.54 0.46 -0.10 -0.78 -0.62 0.00 0.00 178.44 176.86 2k5g h ASP 144 N 0.43 0.35 0.99 1.25 3.58 0.14 -3.10 116.42 120.07 2k5g h ASP 144 Ca 0.10 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2k5g h ASP 144 Cb 0.26 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2k5g h ASP 144 CO 0.01 0.71 -0.39 1.33 -2.88 0.00 0.00 179.24 178.02 2k5g n VAL 145 N -4.61 0.34 -0.36 2.25 0.24 -0.48 -3.79 118.33 111.93 2k5g n VAL 145 Ca -0.06 -0.22 0.08 0.00 -2.04 0.00 0.00 64.34 62.11 2k5g n VAL 145 Cb 0.32 -0.23 0.26 0.00 -1.47 0.00 0.00 33.84 32.71 2k5g n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k5g h ALA 146 N 2.62 1.54 -0.15 2.33 0.00 -0.20 -2.76 119.26 122.65 2k5g h ALA 146 Ca 0.00 0.04 -0.65 0.00 0.00 0.00 0.00 54.91 54.30 2k5g h ALA 146 Cb 0.69 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k5g h ALA 146 CO 0.00 0.15 2.54 0.41 0.00 0.00 0.00 179.25 182.35 2k5g n GLY 147 N -1.34 3.22 0.00 0.00 0.00 -1.25 -3.51 105.19 102.31 2k5g n GLY 147 Ca 0.20 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 4.56 2.57 0.00 -0.02 0.00 -1.21 -4.83 105.19 106.27 2k5g n GLY 148 Ca 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2k5g n GLY 148 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2k5g n TRP 149 N 0.00 0.00 -0.22 1.61 7.02 -1.04 -3.79 117.44 121.01 2k5g n TRP 149 Ca 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.51 2k5g n TRP 149 Cb 0.00 0.00 0.13 0.00 -2.42 0.00 0.00 31.31 29.02 2k5g n TRP 149 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 2k5g h HIS 150 N 0.00 0.09 -0.93 -5.99 2.07 -1.84 -0.09 115.15 108.46 2k5g h HIS 150 Ca 0.00 0.04 0.08 0.00 -2.85 0.00 0.00 60.37 57.64 2k5g h HIS 150 Cb 0.00 0.06 -0.06 0.00 2.57 0.00 0.00 27.41 29.98 2k5g h HIS 150 CO 0.00 -0.13 0.60 0.00 -3.07 0.00 0.00 177.93 175.33 2k5g h ALA 151 N 1.58 1.53 0.00 6.11 0.00 -1.83 -0.71 119.26 125.95 2k5g h ALA 151 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2k5g h ALA 151 Cb 0.60 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k5g h ALA 151 CO -0.52 0.31 0.00 1.12 0.00 0.00 0.00 179.25 180.16 2k5g h HIS 152 N 1.01 0.00 0.00 0.00 2.07 -1.10 -1.03 115.15 116.11 2k5g h HIS 152 Ca 0.41 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.93 2k5g h HIS 152 Cb 0.28 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.26 2k5g h HIS 152 CO -0.00 0.00 -0.03 -0.07 -3.07 0.00 0.00 177.93 174.76 2k5g h LEU 153 N 0.00 0.00 0.15 6.12 -0.00 -1.10 0.21 115.31 120.69 2k5g h LEU 153 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.58 2k5g h LEU 153 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.17 2k5g h LEU 153 CO 0.00 0.03 -1.37 0.00 -0.00 0.00 0.00 178.44 177.09 2k5g h ALA 154 N 1.97 0.08 -0.77 1.53 0.00 -1.30 -3.24 119.26 117.53 2k5g h ALA 154 Ca -0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 54.91 53.93 2k5g h ALA 154 Cb 0.09 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2k5g h ALA 154 CO 0.00 0.95 0.33 0.28 0.00 0.00 0.00 179.25 180.82 2k5g h VAL 155 N 0.09 1.25 0.20 0.00 2.07 -1.09 -0.96 116.25 117.80 2k5g h VAL 155 Ca -0.19 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.58 2k5g h VAL 155 Cb 2.03 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 2k5g h VAL 155 CO 0.21 0.31 -0.40 -0.07 0.02 0.00 0.00 177.57 177.64 2k5g h LEU 156 N 1.11 -1.16 -0.96 2.57 3.38 -0.75 -1.13 115.31 118.37 2k5g h LEU 156 Ca 0.26 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.37 2k5g h LEU 156 Cb 0.17 0.42 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 2k5g h LEU 156 CO -0.03 -0.50 0.63 0.00 0.09 0.00 0.00 178.44 178.64 2k5g h ALA 157 N -0.22 1.24 0.16 1.53 0.00 -1.53 0.17 119.26 120.61 2k5g h ALA 157 Ca 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k5g h ALA 157 Cb 0.68 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2k5g h ALA 157 CO -0.19 0.57 -0.18 0.78 0.00 0.00 0.00 179.25 180.23 2k5g h GLY 158 N 1.27 -0.37 1.85 0.00 0.00 -0.77 0.15 103.07 105.20 2k5g h GLY 158 Ca 0.36 0.21 -0.21 0.00 0.00 0.00 0.00 47.33 47.69 2k5g h GLY 158 CO -0.10 -0.17 -0.95 1.70 0.00 0.00 0.00 176.54 177.02 2k5g h LYS 159 N -0.38 0.13 0.00 4.80 3.64 -1.01 -2.16 116.57 121.59 2k5g h LYS 159 Ca 0.01 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2k5g h LYS 159 Cb 0.37 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2k5g h LYS 159 CO -0.06 0.98 0.00 1.28 -2.27 0.00 0.00 179.45 179.38 2k5g n LEU 160 N -3.55 0.71 0.09 5.20 4.77 0.57 -0.68 117.00 124.10 2k5g n LEU 160 Ca -0.03 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 2k5g n LEU 160 Cb 0.87 -0.54 0.35 0.00 -2.33 0.00 0.00 43.42 41.77 2k5g n LEU 160 CO 0.48 -0.51 0.74 0.00 -1.33 0.00 0.00 177.39 176.77 2k5g n ALA 161 N -1.78 2.48 -0.22 -1.18 0.00 0.51 -4.37 120.51 115.94 2k5g n ALA 161 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k5g n ALA 161 Cb 0.26 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 1.33 0.62 1.76 0.00 0.00 0.14 -0.64 105.19 108.40 2k5g n GLY 162 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2k5g n GLY 162 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k5g n GLN 163 N -2.00 0.56 -2.94 1.61 6.02 -0.83 -4.76 117.38 115.03 2k5g n GLN 163 Ca 0.00 -1.32 -0.37 0.00 -0.01 0.00 0.00 57.00 55.30 2k5g n GLN 163 Cb 0.00 -0.20 -0.06 0.00 1.02 0.00 0.00 30.24 30.99 2k5g n GLN 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k5g s ALA 164 N -2.63 3.32 0.78 -1.58 0.00 -1.26 -4.00 121.76 116.39 2k5g s ALA 164 Ca 0.29 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.47 2k5g s ALA 164 Cb -0.02 -3.00 0.06 0.00 0.00 0.00 0.00 23.12 20.16 2k5g s ALA 164 CO 0.19 0.25 1.14 -2.14 0.00 0.00 0.00 175.76 175.21 2k5g s PRO 165 N -1.93 1.99 1.05 0.00 0.02 -1.26 -4.69 135.00 130.18 2k5g s PRO 165 Ca 0.46 1.49 -0.11 0.00 0.02 0.00 0.00 61.00 62.85 2k5g s PRO 165 Cb -0.18 -1.84 0.22 0.00 0.02 0.00 0.00 34.50 32.71 2k5g s PRO 165 CO 0.23 -1.89 1.07 -2.30 -0.33 0.00 0.00 177.00 173.77 2k5g n PRO 166 N -3.26 -1.44 0.21 5.54 -0.02 -1.26 -4.88 135.00 129.89 2k5g n PRO 166 Ca 0.11 -0.37 0.14 0.00 -2.02 0.00 0.00 63.50 61.36 2k5g n PRO 166 Cb 0.52 -2.27 0.75 0.00 -0.02 0.00 0.00 33.50 32.48 2k5g n PRO 166 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2k5g h PRO 167 N -2.28 0.00 0.00 0.52 0.11 -1.99 -3.46 132.00 124.90 2k5g h PRO 167 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2k5g h PRO 167 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2k5g h PRO 167 CO 0.45 0.00 0.00 0.34 -0.21 0.00 0.00 178.00 178.58 2k5g n PHE 168 N -2.47 0.00 -0.11 0.65 7.35 -1.26 -4.55 117.46 117.06 2k5g n PHE 168 Ca -0.02 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.62 2k5g n PHE 168 Cb 0.05 0.00 0.03 0.00 0.35 0.00 0.00 39.48 39.90 2k5g n PHE 168 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 2k5g h TRP 169 N 0.00 0.10 0.11 -5.13 -0.00 -1.89 0.19 115.95 109.34 2k5g h TRP 169 Ca 0.00 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.93 2k5g h TRP 169 Cb 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 29.16 29.14 2k5g h TRP 169 CO 0.00 0.00 -0.23 1.15 -0.00 0.00 0.00 178.44 179.36 2k5g h THR 170 N 0.19 0.48 -0.60 1.49 2.02 -1.99 0.44 112.91 114.95 2k5g h THR 170 Ca 0.18 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.28 2k5g h THR 170 Cb 0.22 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2k5g h THR 170 CO -0.25 0.00 0.04 0.74 0.37 0.00 0.00 175.52 176.42 2k5g h THR 171 N -0.43 1.26 0.97 3.16 2.02 -1.87 -1.60 112.91 116.43 2k5g h THR 171 Ca 0.03 -1.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.07 2k5g h THR 171 Cb 0.45 0.79 0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2k5g h THR 171 CO -0.14 0.40 -0.47 0.25 0.37 0.00 0.00 175.52 175.94 2k5g h LEU 172 N 0.93 -1.11 -0.34 2.58 5.85 -0.23 -1.52 115.31 121.47 2k5g h LEU 172 Ca 0.17 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.96 2k5g h LEU 172 Cb 0.51 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 2k5g h LEU 172 CO 0.02 -0.78 0.14 0.00 -0.34 0.00 0.00 178.44 177.49 2k5g h ALA 173 N -1.32 0.40 0.05 1.25 0.00 -0.12 0.41 119.26 119.93 2k5g h ALA 173 Ca -0.13 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2k5g h ALA 173 Cb 1.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2k5g h ALA 173 CO 0.22 -0.25 -0.21 0.37 0.00 0.00 0.00 179.25 179.38 2k5g h GLN 174 N 0.30 -0.35 -0.45 0.00 4.15 -1.31 0.24 115.11 117.69 2k5g h GLN 174 Ca 0.15 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 2k5g h GLN 174 Cb 0.10 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 2k5g h GLN 174 CO -0.13 -0.23 -0.05 0.00 -1.93 0.00 0.00 178.83 176.49 2k5g h ALA 175 N 0.48 0.61 -0.51 3.38 0.00 -0.92 -0.55 119.26 121.75 2k5g h ALA 175 Ca 0.05 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2k5g h ALA 175 Cb 0.42 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2k5g h ALA 175 CO -0.16 0.45 0.29 0.93 0.00 0.00 0.00 179.25 180.75 2k5g h GLU 176 N 0.66 0.55 -0.34 0.00 5.08 0.04 -1.08 114.58 119.50 2k5g h GLU 176 Ca 0.12 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2k5g h GLU 176 Cb 0.57 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2k5g h GLU 176 CO 0.03 0.36 -0.13 1.96 -1.00 0.00 0.00 179.01 180.24 2k5g h GLN 177 N 0.57 0.59 -0.35 2.33 1.08 -0.34 0.49 115.11 119.49 2k5g h GLN 177 Ca 0.21 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 2k5g h GLN 177 Cb 0.06 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2k5g h GLN 177 CO -0.12 0.70 0.06 0.22 -0.95 0.00 0.00 178.83 178.75 2k5g h ASP 178 N 0.54 0.55 -0.04 1.46 3.58 -0.29 -0.94 116.42 121.28 2k5g h ASP 178 Ca 0.10 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 2k5g h ASP 178 Cb 0.54 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 2k5g h ASP 178 CO 0.03 0.66 0.01 1.88 -2.88 0.00 0.00 179.24 178.94 2k5g h TYR 179 N 0.41 0.06 -0.97 0.28 -1.99 -1.06 -3.13 116.97 110.57 2k5g h TYR 179 Ca 0.11 -0.01 0.15 0.00 2.00 0.00 0.00 58.73 60.98 2k5g h TYR 179 Cb 0.34 -0.02 -0.09 0.00 2.00 0.00 0.00 36.73 38.97 2k5g h TYR 179 CO 0.02 0.28 0.61 1.49 -0.00 0.00 0.00 178.16 180.56 2k5g h GLU 180 N -0.17 0.79 -0.19 4.88 4.22 -0.80 -1.18 114.58 122.12 2k5g h GLU 180 Ca 0.01 -0.05 0.06 0.00 0.08 0.00 0.00 59.36 59.46 2k5g h GLU 180 Cb 0.25 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2k5g h GLU 180 CO 0.00 0.52 0.14 0.37 -2.18 0.00 0.00 179.01 177.87 2k5g h GLN 181 N 0.82 0.00 -0.32 1.92 5.75 -1.11 -1.36 115.11 120.81 2k5g h GLN 181 Ca 0.51 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.01 2k5g h GLN 181 Cb 0.72 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.27 2k5g h GLN 181 CO -0.28 0.00 0.00 0.54 -2.65 0.00 0.00 178.83 176.44 2k5g n ARG 182 N -4.40 2.32 -4.37 1.69 5.12 -0.46 -4.98 116.66 111.59 2k5g n ARG 182 Ca 0.02 -2.13 -0.19 0.00 -1.93 0.00 0.00 57.85 53.62 2k5g n ARG 182 Cb 0.28 -1.46 -0.10 0.00 -1.16 0.00 0.00 32.46 30.02 2k5g n ARG 182 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2k5g s LEU 183 N -1.42 2.21 0.46 0.55 1.43 -0.51 -5.13 118.68 116.26 2k5g s LEU 183 Ca 0.34 -1.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.21 2k5g s LEU 183 Cb 0.20 -0.34 -0.01 0.00 0.03 0.00 0.00 46.19 46.07 2k5g s LEU 183 CO 0.28 -0.51 0.10 -0.76 0.23 0.00 0.00 176.35 175.69 2k5g s LEU 184 N -3.37 2.06 -0.08 1.79 1.43 -1.26 -4.91 118.68 114.34 2k5g s LEU 184 Ca 0.31 -1.72 -0.30 0.00 -1.03 0.00 0.00 54.13 51.39 2k5g s LEU 184 Cb 0.06 -0.26 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 2k5g s LEU 184 CO 0.11 -0.97 1.07 -0.70 0.23 0.00 0.00 176.35 176.10 2k5g s GLU 185 N -3.73 4.41 -0.03 1.70 -6.30 -1.26 -4.88 118.70 108.61 2k5g s GLU 185 Ca 0.15 1.50 0.04 0.00 -2.50 0.00 0.00 54.97 54.16 2k5g s GLU 185 Cb 0.01 -3.54 0.06 0.00 0.00 0.00 0.00 34.13 30.67 2k5g s GLU 185 CO 0.10 -0.34 0.95 1.58 0.02 0.00 0.00 175.26 177.57 2k5g n HIS 186 N 4.96 0.00 -2.33 5.30 -0.00 -1.26 -5.07 115.22 116.82 2k5g n HIS 186 Ca 0.09 -0.24 -0.04 0.00 -0.00 0.00 0.00 57.72 57.54 2k5g n HIS 186 Cb 0.48 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.99 30.38 2k5g n HIS 186 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5g n HIS 187 N -0.33 -3.84 -0.03 1.57 8.25 -1.26 -4.89 115.22 114.69 2k5g n HIS 187 Ca 0.03 2.25 -0.09 0.00 -0.26 0.00 0.00 57.72 59.66 2k5g n HIS 187 Cb 0.63 -3.54 -0.02 0.00 1.12 0.00 0.00 29.99 28.18 2k5g n HIS 187 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2k5g h HIS 188 N 3.45 -0.56 -3.59 4.41 3.86 -1.99 -3.37 115.15 117.36 2k5g h HIS 188 Ca -0.36 0.03 -0.61 0.00 -1.16 0.00 0.00 60.37 58.27 2k5g h HIS 188 Cb 0.81 0.28 -0.39 0.00 1.06 0.00 0.00 27.41 29.17 2k5g h HIS 188 CO 0.00 -0.29 -0.78 -3.38 0.86 0.00 0.00 177.93 174.34 2k5g s HIS 189 N -6.10 2.45 -0.36 2.45 -3.43 -1.26 -4.82 115.29 104.22 2k5g s HIS 189 Ca -0.15 -1.87 0.03 0.00 -0.80 0.00 0.00 55.06 52.27 2k5g s HIS 189 Cb 0.11 -1.72 0.10 0.00 -1.43 0.00 0.00 32.58 29.65 2k5g s HIS 189 CO 0.68 -0.80 0.09 -1.58 -2.00 0.00 0.00 174.74 171.13 2k5g s HIS 190 N 1.37 3.15 -1.26 0.38 5.04 -1.26 -4.99 115.29 117.73 2k5g s HIS 190 Ca -0.03 -2.71 0.10 0.00 -1.54 0.00 0.00 55.06 50.89 2k5g s HIS 190 Cb -0.19 -2.59 0.08 0.00 0.04 0.00 0.00 32.58 29.92 2k5g s HIS 190 CO -0.08 -0.91 0.82 1.58 -2.34 0.00 0.00 174.74 173.81