#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 0.56 -3.43 2.03 -1.04 -1.26 -4.92 114.28 106.22 2k5g n THR 2 Ca 0.00 -0.28 -0.26 0.00 -2.04 0.00 0.00 64.05 61.46 2k5g n THR 2 Cb 0.00 -2.40 -0.09 0.00 -1.82 0.00 0.00 70.33 66.03 2k5g n THR 2 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2k5g n SER 3 N 9.41 2.36 -4.75 8.00 3.41 -1.26 -3.32 113.62 127.47 2k5g n SER 3 Ca 0.25 -3.13 -0.41 0.00 -0.26 0.00 0.00 58.87 55.33 2k5g n SER 3 Cb 0.42 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 2k5g n SER 3 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2k5g s PRO 4 N -1.78 4.49 -0.82 4.33 0.04 -1.26 -4.97 135.00 135.03 2k5g s PRO 4 Ca 0.36 1.97 -0.23 0.00 0.04 0.00 0.00 61.00 63.14 2k5g s PRO 4 Cb 0.12 -3.17 0.07 0.00 0.04 0.00 0.00 34.50 31.56 2k5g s PRO 4 CO -0.08 -0.04 1.18 -1.12 0.04 0.00 0.00 177.00 176.98 2k5g s SER 5 N -0.32 6.36 0.39 6.66 0.01 -1.26 -4.69 113.70 120.85 2k5g s SER 5 Ca 0.50 -1.25 0.04 0.00 1.31 0.00 0.00 55.95 56.54 2k5g s SER 5 Cb -0.35 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.38 2k5g s SER 5 CO 0.42 -1.44 0.13 -0.44 0.41 0.00 0.00 173.24 172.32 2k5g s SER 6 N 3.97 2.63 -0.20 2.44 0.01 -1.26 -5.13 113.70 116.17 2k5g s SER 6 Ca 0.33 -1.64 -0.05 0.00 1.31 0.00 0.00 55.95 55.90 2k5g s SER 6 Cb -0.08 0.45 0.10 0.00 0.21 0.00 0.00 66.02 66.69 2k5g s SER 6 CO 0.02 -0.90 0.34 0.00 0.41 0.00 0.00 173.24 173.10 2k5g s ALA 7 N -3.25 -0.87 -0.39 1.44 0.00 -1.26 -4.48 121.76 112.95 2k5g s ALA 7 Ca 0.26 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.22 2k5g s ALA 7 Cb 0.03 -1.37 0.13 0.00 0.00 0.00 0.00 23.12 21.91 2k5g s ALA 7 CO 0.15 -0.96 0.20 -0.06 0.00 0.00 0.00 175.76 175.08 2k5g s PHE 8 N 2.50 1.59 -0.20 0.00 0.08 -1.26 -4.99 117.98 115.70 2k5g s PHE 8 Ca 0.05 -2.04 -0.27 0.00 0.12 0.00 0.00 56.93 54.79 2k5g s PHE 8 Cb -0.14 -1.60 -0.00 0.00 -0.57 0.00 0.00 43.02 40.71 2k5g s PHE 8 CO -0.13 -0.82 0.94 -1.25 -0.10 0.00 0.00 175.22 173.86 2k5g s PRO 9 N 0.86 4.28 -0.11 0.24 0.04 -1.26 -4.18 135.00 134.86 2k5g s PRO 9 Ca 0.16 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 2k5g s PRO 9 Cb -0.22 -3.61 0.12 0.00 0.04 0.00 0.00 34.50 30.82 2k5g s PRO 9 CO -0.06 -0.48 0.95 0.34 0.04 0.00 0.00 177.00 177.78 2k5g s ASP 10 N 1.20 -0.39 0.00 6.66 -1.08 -1.26 -5.00 116.67 116.81 2k5g s ASP 10 Ca 0.41 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.76 2k5g s ASP 10 Cb -0.16 0.34 0.00 0.00 -1.46 0.00 0.00 42.92 41.64 2k5g s ASP 10 CO 0.10 -0.43 0.00 0.61 0.52 0.00 0.00 175.17 175.96 2k5g n GLY 11 N 0.48 0.03 2.92 2.66 0.00 -1.26 -0.57 105.19 109.45 2k5g n GLY 11 Ca -0.10 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 2k5g n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k5g s HIS 12 N 0.00 3.05 -0.04 1.61 5.65 -1.26 -4.81 115.29 119.49 2k5g s HIS 12 Ca 0.00 -2.96 -0.01 0.00 0.25 0.00 0.00 55.06 52.34 2k5g s HIS 12 Cb 0.00 -2.65 0.03 0.00 -1.18 0.00 0.00 32.58 28.78 2k5g s HIS 12 CO 0.00 -0.80 0.02 0.20 -0.65 0.00 0.00 174.74 173.51 2k5g s GLY 13 N 0.14 0.29 -0.00 1.59 0.00 -1.26 -5.01 107.32 103.07 2k5g s GLY 13 Ca 0.15 0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.98 2k5g s GLY 13 CO -0.03 0.93 0.00 0.00 0.00 0.00 0.00 173.10 174.01 2k5g n ALA 14 N 4.68 2.00 -0.83 3.20 0.00 -1.26 -4.86 120.51 123.44 2k5g n ALA 14 Ca -0.16 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.35 2k5g n ALA 14 Cb 0.50 0.17 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 2k5g n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5g n ARG 15 N -1.86 -1.26 0.00 0.00 5.12 -1.26 -4.67 116.66 112.74 2k5g n ARG 15 Ca -0.00 0.83 0.03 0.00 -1.93 0.00 0.00 57.85 56.78 2k5g n ARG 15 Cb 0.36 -1.53 -0.04 0.00 -1.16 0.00 0.00 32.46 30.09 2k5g n ARG 15 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2k5g n LEU 16 N 0.00 0.39 -3.73 0.55 -0.00 -1.26 -4.97 117.00 107.97 2k5g n LEU 16 Ca 0.00 -0.52 -0.14 0.00 -0.00 0.00 0.00 56.01 55.35 2k5g n LEU 16 Cb 0.28 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.56 2k5g n LEU 16 CO 0.00 0.09 -0.24 -0.62 -0.00 0.00 0.00 177.39 176.63 2k5g s ASP 17 N -1.64 0.08 -0.31 1.45 2.15 -1.26 -5.12 116.67 112.01 2k5g s ASP 17 Ca 0.03 0.29 0.02 0.00 0.43 0.00 0.00 52.55 53.32 2k5g s ASP 17 Cb 0.05 0.19 0.08 0.00 -0.30 0.00 0.00 42.92 42.94 2k5g s ASP 17 CO 0.29 -0.17 -0.00 0.00 -0.17 0.00 0.00 175.17 175.12 2k5g s ALA 18 N 1.40 2.79 0.00 3.66 0.00 -1.26 -4.86 121.76 123.49 2k5g s ALA 18 Ca -0.07 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 49.77 2k5g s ALA 18 Cb -0.12 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.13 2k5g s ALA 18 CO -0.06 -1.45 0.00 1.04 0.00 0.00 0.00 175.76 175.29 2k5g n GLN 19 N 4.42 1.03 -4.51 0.00 6.02 -1.26 -4.96 117.38 118.11 2k5g n GLN 19 Ca -0.06 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.68 2k5g n GLN 19 Cb 0.42 -0.91 -0.11 0.00 1.02 0.00 0.00 30.24 30.66 2k5g n GLN 19 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2k5g s SER 20 N -1.67 3.19 -0.23 1.08 1.04 -1.26 -4.79 113.70 111.06 2k5g s SER 20 Ca 0.00 -1.29 -0.10 0.00 0.48 0.00 0.00 55.95 55.03 2k5g s SER 20 Cb 0.00 -0.25 -0.05 0.00 0.10 0.00 0.00 66.02 65.82 2k5g s SER 20 CO 0.00 -0.42 0.16 -0.63 0.98 0.00 0.00 173.24 173.33 2k5g s ILE 21 N -2.91 5.37 -0.13 -1.02 -1.09 -1.14 -4.99 121.20 115.28 2k5g s ILE 21 Ca 0.33 0.20 -0.08 0.00 -2.23 0.00 0.00 60.65 58.87 2k5g s ILE 21 Cb 0.07 -3.50 0.05 0.00 -1.58 0.00 0.00 42.46 37.50 2k5g s ILE 21 CO 0.16 0.37 0.33 0.00 -1.23 0.00 0.00 174.94 174.57 2k5g s ARG 22 N 0.84 0.32 -0.17 2.79 1.70 -1.22 -0.01 118.95 123.19 2k5g s ARG 22 Ca 0.08 0.61 -0.04 0.00 -0.47 0.00 0.00 55.73 55.91 2k5g s ARG 22 Cb -0.13 -0.01 0.06 0.00 -0.57 0.00 0.00 34.95 34.30 2k5g s ARG 22 CO 0.03 -0.13 0.07 -0.06 -1.08 0.00 0.00 175.30 174.12 2k5g s PHE 23 N 1.05 0.50 -0.29 5.89 0.08 -0.77 -4.92 117.98 119.52 2k5g s PHE 23 Ca -0.07 -0.49 -0.09 0.00 0.12 0.00 0.00 56.93 56.40 2k5g s PHE 23 Cb -0.08 -0.81 -0.02 0.00 -0.57 0.00 0.00 43.02 41.55 2k5g s PHE 23 CO -0.08 -0.53 0.13 -1.21 -0.10 0.00 0.00 175.22 173.43 2k5g s GLU 24 N 2.03 3.46 0.22 0.44 8.01 -1.26 -0.06 118.70 131.54 2k5g s GLU 24 Ca 0.01 -0.63 -0.00 0.00 0.01 0.00 0.00 54.97 54.36 2k5g s GLU 24 Cb -0.16 -3.50 -0.04 0.00 -4.31 0.00 0.00 34.13 26.11 2k5g s GLU 24 CO -0.08 -0.34 0.11 1.03 0.01 0.00 0.00 175.26 175.99 2k5g s ARG 25 N 1.62 1.26 -0.13 1.61 0.52 0.10 -4.28 118.95 119.66 2k5g s ARG 25 Ca 0.05 -1.67 -0.01 0.00 -0.52 0.00 0.00 55.73 53.58 2k5g s ARG 25 Cb -0.16 0.07 -0.02 0.00 0.52 0.00 0.00 34.95 35.35 2k5g s ARG 25 CO 0.06 -0.34 -0.10 -1.17 0.02 0.00 0.00 175.30 173.77 2k5g s LEU 26 N -3.21 2.92 0.27 2.53 1.98 0.27 -0.45 118.68 122.98 2k5g s LEU 26 Ca 0.38 -0.23 0.10 0.00 -2.89 0.00 0.00 54.13 51.49 2k5g s LEU 26 Cb 0.07 -1.67 -0.05 0.00 0.66 0.00 0.00 46.19 45.21 2k5g s LEU 26 CO 0.12 0.20 -0.16 -0.76 -1.89 0.00 0.00 176.35 173.86 2k5g s LEU 27 N 0.17 2.59 0.12 -0.68 2.01 0.93 -3.98 118.68 119.84 2k5g s LEU 27 Ca -0.05 -1.07 -0.19 0.00 0.01 0.00 0.00 54.13 52.82 2k5g s LEU 27 Cb -0.15 -0.93 -0.07 0.00 0.01 0.00 0.00 46.19 45.05 2k5g s LEU 27 CO 0.04 -0.09 0.62 -2.16 1.01 0.00 0.00 176.35 175.77 2k5g s PRO 28 N -3.58 4.23 0.00 1.29 0.05 -1.26 0.06 135.00 135.79 2k5g s PRO 28 Ca 0.28 0.78 0.00 0.00 0.05 0.00 0.00 61.00 62.11 2k5g s PRO 28 Cb -0.02 -3.13 0.00 0.00 0.05 0.00 0.00 34.50 31.40 2k5g s PRO 28 CO 0.13 0.56 0.00 0.41 0.05 0.00 0.00 177.00 178.15 2k5g n GLY 29 N 1.39 2.98 0.12 0.56 0.00 0.09 -4.30 105.19 106.04 2k5g n GLY 29 Ca -0.08 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 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 0.31 0.00 1.61 0.13 -1.77 -1.66 132.00 130.62 2k5g h PRO 30 Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2k5g h PRO 30 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2k5g h PRO 30 CO 0.00 0.56 0.00 1.51 -0.23 0.00 0.00 178.00 179.84 2k5g n ILE 31 N -4.70 0.00 0.08 -3.56 3.06 -1.26 -4.03 119.36 108.95 2k5g n ILE 31 Ca -0.05 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 2k5g n ILE 31 Cb 0.24 0.00 0.32 0.00 0.54 0.00 0.00 39.64 40.74 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 0.32 -0.50 9.51 5.08 -1.90 -0.66 114.58 126.44 2k5g h GLU 32 Ca 0.00 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2k5g h GLU 32 Cb 0.00 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2k5g h GLU 32 CO 0.00 0.50 0.33 0.00 -1.00 0.00 0.00 179.01 178.84 2k5g h ARG 33 N 0.30 0.66 0.06 2.33 2.47 -1.83 0.42 114.38 118.78 2k5g h ARG 33 Ca 0.06 -0.04 -0.24 0.00 -1.26 0.00 0.00 59.98 58.50 2k5g h ARG 33 Cb 0.48 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 2k5g h ARG 33 CO 0.03 0.43 -1.06 0.28 0.56 0.00 0.00 179.97 180.22 2k5g h VAL 34 N 0.68 1.51 -0.12 2.04 2.07 -1.69 -3.22 116.25 117.50 2k5g h VAL 34 Ca 0.18 -2.87 -0.09 0.00 0.82 0.00 0.00 66.70 64.75 2k5g h VAL 34 Cb -0.07 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2k5g h VAL 34 CO -0.04 0.84 -0.33 -0.25 0.02 0.00 0.00 177.57 177.81 2k5g h TRP 35 N 0.10 0.28 -0.79 1.57 2.91 -0.85 -3.28 115.95 115.88 2k5g h TRP 35 Ca -0.08 -0.06 0.19 0.00 1.13 0.00 0.00 58.89 60.06 2k5g h TRP 35 Cb 1.75 -0.07 -0.12 0.00 -0.51 0.00 0.00 29.16 30.21 2k5g h TRP 35 CO 0.05 0.55 0.21 0.00 -1.03 0.00 0.00 178.44 178.21 2k5g h ALA 36 N 1.45 1.08 0.00 2.65 0.00 -0.92 0.45 119.26 123.96 2k5g h ALA 36 Ca 0.03 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2k5g h ALA 36 Cb 0.69 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2k5g h ALA 36 CO 0.05 -0.37 -0.31 0.11 0.00 0.00 0.00 179.25 178.73 2k5g h TRP 37 N 0.26 0.00 0.00 0.00 5.08 -1.76 0.88 115.95 120.42 2k5g h TRP 37 Ca 0.47 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.34 2k5g h TRP 37 Cb 0.85 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.99 2k5g h TRP 37 CO -0.26 0.31 -0.47 -0.07 -1.28 0.00 0.00 178.44 176.67 2k5g h LEU 38 N 0.00 0.00 0.00 0.11 3.38 -0.35 -3.32 115.31 115.14 2k5g h LEU 38 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k5g h LEU 38 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2k5g h LEU 38 CO 0.04 0.47 -0.87 0.00 0.09 0.00 0.00 178.44 178.17 2k5g n ALA 39 N -2.36 0.76 -1.83 1.53 0.00 0.14 -4.89 120.51 113.86 2k5g n ALA 39 Ca -0.01 -0.72 -0.41 0.00 0.00 0.00 0.00 53.44 52.30 2k5g n ALA 39 Cb 0.54 0.03 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 2k5g n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k5g s ASP 40 N -5.81 6.57 0.24 0.00 2.15 0.28 -4.11 116.67 115.99 2k5g s ASP 40 Ca -0.25 2.77 0.05 0.00 0.43 0.00 0.00 52.55 55.55 2k5g s ASP 40 Cb 0.03 -2.63 0.26 0.00 -0.30 0.00 0.00 42.92 40.29 2k5g s ASP 40 CO 0.37 -0.76 1.57 0.00 -0.17 0.00 0.00 175.17 176.18 2k5g h ALA 41 N 4.73 0.87 0.17 3.66 0.00 -1.89 -0.74 119.26 126.07 2k5g h ALA 41 Ca -0.47 -0.54 -0.24 0.00 0.00 0.00 0.00 54.91 53.66 2k5g h ALA 41 Cb 1.22 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.95 2k5g h ALA 41 CO 0.76 0.72 -1.08 0.22 0.00 0.00 0.00 179.25 179.88 2k5g h ASP 42 N 0.17 0.57 0.59 0.00 3.58 -1.90 -1.37 116.42 118.06 2k5g h ASP 42 Ca -0.01 -0.94 -0.08 0.00 0.42 0.00 0.00 57.03 56.43 2k5g h ASP 42 Cb 1.09 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 2k5g h ASP 42 CO 0.09 1.51 -0.40 0.50 -2.88 0.00 0.00 179.24 178.07 2k5g h LYS 43 N -0.21 0.00 0.00 0.28 3.11 -1.90 -2.51 116.57 115.35 2k5g h LYS 43 Ca -0.19 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.51 2k5g h LYS 43 Cb 1.81 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.02 2k5g h LYS 43 CO 0.18 0.40 -0.63 -0.09 -2.81 0.00 0.00 179.45 176.49 2k5g h ARG 44 N 0.00 0.00 0.00 1.90 2.43 -1.14 -3.20 114.38 114.37 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 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2k5g h ARG 44 CO 0.05 0.63 0.00 0.00 -1.51 0.00 0.00 179.97 179.15 2k5g n ALA 45 N -2.27 1.95 -0.63 2.80 0.00 -0.52 -0.75 120.51 121.09 2k5g n ALA 45 Ca 0.01 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.43 2k5g n ALA 45 Cb 0.78 -1.24 0.11 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.12 2.21 0.00 0.00 1.74 -1.21 -4.56 116.66 113.73 2k5g n ARG 46 Ca 0.09 -2.22 0.00 0.00 -0.77 0.00 0.00 57.85 54.95 2k5g n ARG 46 Cb 0.08 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 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 -0.82 0.00 0.00 -1.55 4.27 -0.90 -5.02 117.44 113.42 2k5g n TRP 47 Ca 0.11 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.72 2k5g n TRP 47 Cb 0.53 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.48 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 -0.09 0.00 -3.52 5.67 -0.00 0.07 -4.82 117.00 114.31 2k5g n LEU 48 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 2k5g n LEU 48 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 2k5g n LEU 48 CO 0.00 -0.41 0.73 0.00 -0.00 0.00 0.00 177.39 177.71 2k5g s ALA 49 N -2.00 -1.86 -0.07 1.96 0.00 -0.53 -4.90 121.76 114.37 2k5g s ALA 49 Ca 0.00 1.10 -0.22 0.00 0.00 0.00 0.00 51.96 52.84 2k5g s ALA 49 Cb 0.00 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 2k5g s ALA 49 CO 0.00 -0.66 0.65 0.20 0.00 0.00 0.00 175.76 175.94 2k5g s GLY 50 N -2.40 2.58 0.00 0.00 0.00 -1.26 -2.41 107.32 103.83 2k5g s GLY 50 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.84 2k5g s GLY 50 CO -0.08 1.06 0.00 0.61 0.00 0.00 0.00 173.10 174.69 2k5g n GLY 51 N 3.06 3.82 3.86 0.20 0.00 -1.25 -4.52 105.19 110.37 2k5g n GLY 51 Ca -0.03 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.96 0.86 0.23 1.61 -1.05 -1.26 -4.35 118.70 112.78 2k5g s GLU 52 Ca 0.00 -0.12 -0.23 0.00 -0.15 0.00 0.00 54.97 54.47 2k5g s GLU 52 Cb 0.00 -1.84 -0.09 0.00 -0.44 0.00 0.00 34.13 31.76 2k5g s GLU 52 CO 0.00 -2.31 0.79 -0.51 0.95 0.00 0.00 175.26 174.18 2k5g s LEU 53 N -5.95 4.40 1.12 1.83 1.43 -1.26 -4.93 118.68 115.33 2k5g s LEU 53 Ca 0.69 1.58 -0.15 0.00 -1.03 0.00 0.00 54.13 55.22 2k5g s LEU 53 Cb -0.08 -3.62 0.25 0.00 0.03 0.00 0.00 46.19 42.76 2k5g s LEU 53 CO 0.52 0.05 1.08 -2.84 0.23 0.00 0.00 176.35 175.39 2k5g s PRO 54 N -1.79 -0.59 -0.17 1.29 0.02 -1.26 -5.01 135.00 127.49 2k5g s PRO 54 Ca 0.43 0.32 0.11 0.00 0.02 0.00 0.00 61.00 61.88 2k5g s PRO 54 Cb -0.19 -1.64 -0.23 0.00 0.02 0.00 0.00 34.50 32.47 2k5g s PRO 54 CO 0.23 -3.37 0.15 0.54 -0.33 0.00 0.00 177.00 174.22 2k5g n ARG 55 N -4.59 0.68 -4.76 5.54 1.74 -1.26 -4.94 116.66 109.07 2k5g n ARG 55 Ca 0.08 0.12 -0.31 0.00 -0.77 0.00 0.00 57.85 56.96 2k5g n ARG 55 Cb 0.58 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.30 2k5g n ARG 55 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2k5g s GLN 56 N -2.53 2.18 -0.40 5.56 -0.21 -1.26 -5.08 119.66 117.92 2k5g s GLN 56 Ca -0.16 -0.91 -0.28 0.00 0.02 0.00 0.00 55.36 54.03 2k5g s GLN 56 Cb 0.07 -2.22 -0.02 0.00 1.00 0.00 0.00 33.01 31.84 2k5g s GLN 56 CO 0.77 0.56 1.82 -2.14 -2.12 0.00 0.00 175.29 174.18 2k5g s PRO 57 N -1.21 3.14 0.00 2.91 0.02 -1.26 -1.94 135.00 136.66 2k5g s PRO 57 Ca 0.14 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.38 2k5g s PRO 57 Cb -0.10 -4.25 0.00 0.00 0.02 0.00 0.00 34.50 30.17 2k5g s PRO 57 CO 0.04 -2.10 0.00 0.41 -0.33 0.00 0.00 177.00 175.02 2k5g n GLY 58 N 5.49 1.62 3.80 0.52 0.00 -0.18 -4.94 105.19 111.49 2k5g n GLY 58 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 4.07 -0.14 1.61 -0.21 -0.82 -4.68 119.66 119.49 2k5g s GLN 59 Ca 0.00 1.32 -0.09 0.00 0.02 0.00 0.00 55.36 56.61 2k5g s GLN 59 Cb 0.00 -2.27 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 2k5g s GLN 59 CO 0.00 -0.20 0.16 0.95 -2.12 0.00 0.00 175.29 174.08 2k5g s THR 60 N -1.94 5.44 0.39 -0.19 -4.23 -1.26 -0.89 115.64 112.96 2k5g s THR 60 Ca 0.62 0.26 0.08 0.00 -1.18 0.00 0.00 61.69 61.47 2k5g s THR 60 Cb -0.16 -3.45 -0.07 0.00 1.34 0.00 0.00 72.50 70.16 2k5g s THR 60 CO 0.20 0.55 -0.02 0.72 -0.54 0.00 0.00 174.62 175.53 2k5g s PHE 61 N -0.53 2.48 -0.34 3.99 -0.71 -0.21 -4.91 117.98 117.76 2k5g s PHE 61 Ca 0.13 -0.61 -0.13 0.00 -1.04 0.00 0.00 56.93 55.28 2k5g s PHE 61 Cb -0.12 -1.65 -0.02 0.00 -1.21 0.00 0.00 43.02 40.02 2k5g s PHE 61 CO 0.03 0.49 0.25 -1.21 -1.34 0.00 0.00 175.22 173.44 2k5g s GLU 62 N -3.68 3.54 -0.29 1.99 2.02 -1.26 -1.18 118.70 119.83 2k5g s GLU 62 Ca 0.34 -0.59 -0.05 0.00 0.02 0.00 0.00 54.97 54.69 2k5g s GLU 62 Cb 0.07 -3.80 0.02 0.00 0.10 0.00 0.00 34.13 30.53 2k5g s GLU 62 CO 0.18 -0.44 0.05 -1.17 0.02 0.00 0.00 175.26 173.90 2k5g s LEU 63 N 1.76 3.81 -0.55 1.80 1.98 -0.73 -4.68 118.68 122.06 2k5g s LEU 63 Ca 0.07 -0.89 -0.28 0.00 -2.89 0.00 0.00 54.13 50.14 2k5g s LEU 63 Cb -0.17 -1.81 0.01 0.00 0.66 0.00 0.00 46.19 44.88 2k5g s LEU 63 CO 0.11 -0.21 1.45 -1.00 -1.89 0.00 0.00 176.35 174.80 2k5g s HIS 64 N 1.42 2.25 -0.08 5.38 3.76 -1.26 -2.07 115.29 124.69 2k5g s HIS 64 Ca 0.00 0.50 0.04 0.00 -0.15 0.00 0.00 55.06 55.45 2k5g s HIS 64 Cb -0.18 -4.37 0.00 0.00 1.11 0.00 0.00 32.58 29.15 2k5g s HIS 64 CO 0.01 -2.02 -0.20 0.12 -0.85 0.00 0.00 174.74 171.79 2k5g s PHE 65 N 6.19 2.14 -0.31 1.40 5.36 0.86 -4.60 117.98 129.02 2k5g s PHE 65 Ca 0.54 -0.79 -0.11 0.00 -0.96 0.00 0.00 56.93 55.62 2k5g s PHE 65 Cb -0.11 -1.45 -0.02 0.00 -0.34 0.00 0.00 43.02 41.10 2k5g s PHE 65 CO 0.25 -0.31 0.18 1.21 -1.46 0.00 0.00 175.22 175.09 2k5g s ASN 66 N 0.28 5.75 0.01 6.13 2.47 -1.26 -0.78 114.94 127.54 2k5g s ASN 66 Ca -0.13 -0.37 0.14 0.00 0.42 0.00 0.00 52.86 52.92 2k5g s ASN 66 Cb -0.16 -2.06 0.60 0.00 -1.45 0.00 0.00 41.25 38.18 2k5g s ASN 66 CO 0.06 -0.17 1.45 1.57 -3.72 0.00 0.00 177.10 176.29 2k5g n HIS 67 N 5.03 0.02 -0.04 0.43 -0.00 -1.26 -1.66 115.22 117.74 2k5g n HIS 67 Ca -0.14 0.01 -0.15 0.00 -0.00 0.00 0.00 57.72 57.44 2k5g n HIS 67 Cb 0.50 -0.51 -0.13 0.00 -0.00 0.00 0.00 29.99 29.85 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2k5g h ALA 68 N 2.47 -0.01 -3.00 1.57 0.00 -1.93 -3.47 119.26 114.89 2k5g h ALA 68 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2k5g h ALA 68 Cb 0.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k5g h ALA 68 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2k5g n ALA 69 N -2.58 0.00 0.23 0.00 0.00 -0.66 -3.96 120.51 113.53 2k5g n ALA 69 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k5g n ALA 69 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2k5g n ALA 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k5g n LEU 70 N -0.22 -3.68 -4.58 0.00 7.94 -1.26 -4.28 117.00 110.92 2k5g n LEU 70 Ca 0.00 0.86 -0.42 0.00 -1.11 0.00 0.00 56.01 55.34 2k5g n LEU 70 Cb 0.00 3.44 -0.02 0.00 0.53 0.00 0.00 43.42 47.37 2k5g n LEU 70 CO 0.00 0.14 1.14 -0.89 -1.11 0.00 0.00 177.39 176.67 2k5g s THR 71 N -2.00 3.93 -0.01 1.96 2.01 -1.26 -4.67 115.64 115.60 2k5g s THR 71 Ca 0.00 0.81 0.02 0.00 0.31 0.00 0.00 61.69 62.83 2k5g s THR 71 Cb 0.00 -4.65 0.03 0.00 0.01 0.00 0.00 72.50 67.89 2k5g s THR 71 CO 0.00 -1.32 0.93 0.00 -0.69 0.00 0.00 174.62 173.54 2k5g n ALA 72 N 8.83 1.86 -0.11 7.40 0.00 -1.26 -4.83 120.51 132.40 2k5g n ALA 72 Ca 0.09 -1.07 0.12 0.00 0.00 0.00 0.00 53.44 52.59 2k5g n ALA 72 Cb 0.49 -0.39 0.49 0.00 0.00 0.00 0.00 19.45 20.04 2k5g n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k5g h GLU 73 N 0.00 0.42 -4.86 0.00 4.81 -1.91 -3.41 114.58 109.63 2k5g h GLU 73 Ca 0.00 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.86 2k5g h GLU 73 Cb 1.28 -0.09 -0.22 0.00 0.63 0.00 0.00 28.75 30.34 2k5g h GLU 73 CO 0.00 0.28 -0.76 -0.08 -0.73 0.00 0.00 179.01 177.72 2k5g s THR 74 N -5.41 0.76 0.00 0.32 -1.32 -1.26 -5.16 115.64 103.57 2k5g s THR 74 Ca -0.08 -1.05 -0.23 0.00 -1.21 0.00 0.00 61.69 59.12 2k5g s THR 74 Cb 0.20 -0.77 0.05 0.00 -1.51 0.00 0.00 72.50 70.47 2k5g s THR 74 CO 0.75 -0.24 0.52 0.00 -2.21 0.00 0.00 174.62 173.44 2k5g s ALA 75 N -1.16 -1.32 -2.00 11.08 0.00 -1.26 -5.02 121.76 122.08 2k5g s ALA 75 Ca -0.05 0.74 0.11 0.00 0.00 0.00 0.00 51.96 52.76 2k5g s ALA 75 Cb -0.09 0.20 0.65 0.00 0.00 0.00 0.00 23.12 23.87 2k5g s ALA 75 CO 0.01 -0.41 1.39 -0.35 0.00 0.00 0.00 175.76 176.40 2k5g n PRO 76 N 0.75 0.96 -0.81 0.00 -0.04 -1.26 -4.86 135.00 129.74 2k5g n PRO 76 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2k5g n PRO 76 Cb 0.58 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.68 0.00 1.49 0.55 0.00 -1.26 -4.80 120.51 115.81 2k5g n ALA 77 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.67 2k5g n ALA 77 Cb 0.04 -0.61 0.73 0.00 0.00 0.00 0.00 19.45 19.61 2k5g n ALA 77 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2k5g n ARG 78 N -1.68 0.60 -0.01 0.00 1.85 -1.26 -4.06 116.66 112.11 2k5g n ARG 78 Ca 0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 57.85 56.75 2k5g n ARG 78 Cb 0.08 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 29.99 2k5g n ARG 78 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2k5g n TYR 79 N -1.12 0.03 -0.80 2.89 4.01 -1.26 -5.11 117.16 115.79 2k5g n TYR 79 Ca 0.16 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 2k5g n TYR 79 Cb 0.24 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k5g n ALA 80 N -2.52 -1.54 0.00 -0.72 0.00 -1.26 -4.66 120.51 109.81 2k5g n ALA 80 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2k5g n ALA 80 Cb 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2k5g n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5g n GLN 81 N -1.35 0.00 -0.13 0.00 10.64 -1.26 -4.44 117.38 120.83 2k5g n GLN 81 Ca 0.00 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.23 2k5g n GLN 81 Cb 0.09 -1.22 0.21 0.00 -0.86 0.00 0.00 30.24 28.46 2k5g n GLN 81 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2k5g n TYR 82 N -0.22 0.34 1.53 2.61 4.01 -1.26 -4.03 117.16 120.14 2k5g n TYR 82 Ca 0.00 -0.17 0.10 0.00 -0.16 0.00 0.00 57.90 57.67 2k5g n TYR 82 Cb 0.00 0.00 0.44 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.32 1.01 -4.05 7.72 2.03 -1.26 -4.79 116.55 117.54 2k5g n ASP 83 Ca 0.12 -1.60 -0.14 0.00 0.52 0.00 0.00 54.79 53.68 2k5g n ASP 83 Cb 0.27 -0.06 -0.12 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.87 0.55 -0.27 -0.67 0.52 -1.26 -4.91 118.95 111.03 2k5g s ARG 84 Ca 0.30 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.59 2k5g s ARG 84 Cb 0.15 -0.39 -0.00 0.00 0.52 0.00 0.00 34.95 35.23 2k5g s ARG 84 CO 0.24 0.08 1.34 -2.14 0.02 0.00 0.00 175.30 174.84 2k5g s PRO 85 N -1.21 3.95 -0.32 3.54 0.02 -1.26 -4.80 135.00 134.91 2k5g s PRO 85 Ca -0.06 1.36 -0.24 0.00 0.02 0.00 0.00 61.00 62.08 2k5g s PRO 85 Cb -0.08 -3.88 0.01 0.00 0.02 0.00 0.00 34.50 30.56 2k5g s PRO 85 CO 0.00 -1.08 0.83 0.42 -0.33 0.00 0.00 177.00 176.84 2k5g s ILE 86 N 4.35 4.73 -0.59 2.83 1.09 0.04 -4.81 121.20 128.84 2k5g s ILE 86 Ca 0.58 1.20 -0.25 0.00 -1.10 0.00 0.00 60.65 61.08 2k5g s ILE 86 Cb -0.19 -4.20 0.04 0.00 -1.06 0.00 0.00 42.46 37.05 2k5g s ILE 86 CO 0.23 -0.33 1.03 -0.69 -0.10 0.00 0.00 174.94 175.08 2k5g s VAL 87 N 3.10 4.24 -0.06 2.92 1.01 -1.26 -0.10 120.40 130.25 2k5g s VAL 87 Ca 0.34 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.72 2k5g s VAL 87 Cb -0.14 -4.63 -0.00 0.00 0.00 0.00 0.00 36.38 31.61 2k5g s VAL 87 CO 0.14 -1.27 -0.19 0.00 0.00 0.00 0.00 175.10 173.78 2k5g s ALA 88 N 4.34 1.72 0.45 5.51 0.00 -0.88 -4.96 121.76 127.95 2k5g s ALA 88 Ca 0.33 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 51.32 2k5g s ALA 88 Cb -0.11 -0.60 -0.10 0.00 0.00 0.00 0.00 23.12 22.30 2k5g s ALA 88 CO 0.19 0.28 0.95 -0.98 0.00 0.00 0.00 175.76 176.21 2k5g s ARG 89 N 0.16 4.15 0.03 0.00 1.70 -1.26 -1.78 118.95 121.95 2k5g s ARG 89 Ca -0.08 1.06 -0.01 0.00 -0.47 0.00 0.00 55.73 56.23 2k5g s ARG 89 Cb -0.14 -2.17 -0.02 0.00 -0.57 0.00 0.00 34.95 32.04 2k5g s ARG 89 CO 0.04 -0.09 -0.00 -1.01 -1.08 0.00 0.00 175.30 173.16 2k5g s HIS 90 N -2.29 0.30 0.07 5.89 3.76 -0.33 -4.91 115.29 117.78 2k5g s HIS 90 Ca 0.61 -0.62 -0.21 0.00 -0.15 0.00 0.00 55.06 54.68 2k5g s HIS 90 Cb -0.09 -0.22 -0.06 0.00 1.11 0.00 0.00 32.58 33.31 2k5g s HIS 90 CO 0.18 -0.26 0.63 0.99 -0.85 0.00 0.00 174.74 175.42 2k5g s THR 91 N -2.17 4.71 0.32 1.30 2.01 -1.26 -1.04 115.64 119.51 2k5g s THR 91 Ca -0.09 1.34 -0.27 0.00 0.31 0.00 0.00 61.69 62.98 2k5g s THR 91 Cb -0.05 -3.97 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 2k5g s THR 91 CO -0.03 0.50 1.01 -0.22 -0.69 0.00 0.00 174.62 175.19 2k5g s LEU 92 N -0.80 4.38 0.00 4.42 2.96 -0.07 -2.56 118.68 127.01 2k5g s LEU 92 Ca 0.31 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 2k5g s LEU 92 Cb -0.20 -3.91 0.00 0.00 0.50 0.00 0.00 46.19 42.58 2k5g s LEU 92 CO 0.20 -0.18 0.00 -0.11 -1.32 0.00 0.00 176.35 174.94 2k5g n LEU 93 N 0.65 0.00 -4.55 -0.68 7.94 0.13 -1.01 117.00 119.48 2k5g n LEU 93 Ca 0.02 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.61 2k5g n LEU 93 Cb 0.48 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.39 2k5g n LEU 93 CO 0.48 0.00 1.81 -0.60 -1.11 0.00 0.00 177.39 177.97 2k5g s ARG 94 N 2.02 1.97 -0.30 1.96 3.52 -1.26 -4.51 118.95 122.36 2k5g s ARG 94 Ca 0.00 1.16 -0.05 0.00 -0.13 0.00 0.00 55.73 56.71 2k5g s ARG 94 Cb 0.00 -4.64 0.03 0.00 -1.56 0.00 0.00 34.95 28.78 2k5g s ARG 94 CO 0.00 -3.58 0.04 0.00 -0.81 0.00 0.00 175.30 170.95 2k5g s GLU 96 N 1.38 1.99 0.17 0.00 0.41 0.14 -4.97 118.70 117.83 2k5g s GLU 96 Ca -0.01 -2.74 -0.30 0.00 -0.41 0.00 0.00 54.97 51.51 2k5g s GLU 96 Cb -0.18 -3.15 -0.07 0.00 -1.78 0.00 0.00 34.13 28.94 2k5g s GLU 96 CO 0.00 -1.18 0.96 -2.14 -0.49 0.00 0.00 175.26 172.42 2k5g s PRO 97 N -0.55 4.76 -0.46 0.39 0.02 -1.26 -0.68 135.00 137.22 2k5g s PRO 97 Ca 0.20 1.49 -0.13 0.00 0.02 0.00 0.00 61.00 62.58 2k5g s PRO 97 Cb -0.18 -3.33 0.08 0.00 0.02 0.00 0.00 34.50 31.09 2k5g s PRO 97 CO -0.06 0.33 0.36 -1.25 -0.33 0.00 0.00 177.00 176.05 2k5g s PRO 98 N -0.53 2.82 0.00 5.54 0.04 -1.26 -5.02 135.00 136.58 2k5g s PRO 98 Ca 0.45 -1.46 0.00 0.00 0.04 0.00 0.00 61.00 60.03 2k5g s PRO 98 Cb -0.25 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2k5g s PRO 98 CO 0.31 -1.05 0.00 -2.13 0.04 0.00 0.00 177.00 174.18 2k5g n ARG 99 N 5.09 0.00 -4.29 4.56 3.00 0.14 -5.00 116.66 120.16 2k5g n ARG 99 Ca -0.11 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.58 2k5g n ARG 99 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.79 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 -0.68 1.25 -0.04 5.15 -7.23 -0.85 -1.55 120.40 116.44 2k5g s VAL 100 Ca 0.00 -2.08 -0.15 0.00 -1.81 0.00 0.00 61.98 57.94 2k5g s VAL 100 Cb 0.00 -2.03 0.03 0.00 0.56 0.00 0.00 36.38 34.94 2k5g s VAL 100 CO 0.00 -0.60 0.34 -1.48 -0.31 0.00 0.00 175.10 173.05 2k5g s LEU 101 N -3.24 0.72 0.04 1.32 0.05 -0.14 0.24 118.68 117.67 2k5g s LEU 101 Ca 0.21 0.26 0.02 0.00 0.05 0.00 0.00 54.13 54.67 2k5g s LEU 101 Cb 0.03 1.33 -0.02 0.00 -2.05 0.00 0.00 46.19 45.48 2k5g s LEU 101 CO 0.04 -0.39 -0.07 0.00 -0.55 0.00 0.00 176.35 175.38 2k5g s ALA 102 N -0.99 0.57 0.22 1.48 0.00 0.12 -0.48 121.76 122.67 2k5g s ALA 102 Ca -0.10 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 2k5g s ALA 102 Cb -0.04 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2k5g s ALA 102 CO 0.04 -0.04 0.34 -0.48 0.00 0.00 0.00 175.76 175.62 2k5g s LEU 103 N -1.67 0.67 -0.00 0.00 2.34 -0.37 -0.69 118.68 118.95 2k5g s LEU 103 Ca -0.09 -1.04 0.00 0.00 0.06 0.00 0.00 54.13 53.06 2k5g s LEU 103 Cb -0.09 1.28 -0.04 0.00 -0.56 0.00 0.00 46.19 46.78 2k5g s LEU 103 CO -0.00 -1.01 0.04 0.28 -1.06 0.00 0.00 176.35 174.60 2k5g s THR 104 N -4.05 4.45 -0.09 5.48 -1.32 -1.06 0.75 115.64 119.80 2k5g s THR 104 Ca 0.26 -0.50 0.04 0.00 -1.21 0.00 0.00 61.69 60.28 2k5g s THR 104 Cb 0.02 -3.01 -0.00 0.00 -1.51 0.00 0.00 72.50 68.00 2k5g s THR 104 CO 0.08 0.36 -0.23 0.86 -2.21 0.00 0.00 174.62 173.48 2k5g s TRP 105 N -1.14 2.55 0.00 9.09 -0.11 0.19 -4.55 118.94 124.96 2k5g s TRP 105 Ca 0.21 -0.93 0.00 0.00 1.22 0.00 0.00 56.10 56.60 2k5g s TRP 105 Cb -0.12 -1.69 0.00 0.00 -1.50 0.00 0.00 33.47 30.16 2k5g s TRP 105 CO 0.12 -0.35 0.00 0.41 -4.62 0.00 0.00 176.95 172.51 2k5g n GLY 106 N 3.36 3.39 1.53 5.86 0.00 -1.26 -2.26 105.19 115.81 2k5g n GLY 106 Ca -0.19 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.92 5.36 -0.02 0.00 -1.26 -4.91 105.19 105.28 2k5g n GLY 107 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 2.22 2.47 -0.02 0.00 -1.26 -4.84 105.19 103.75 2k5g n GLY 108 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 1.05 -0.60 0.00 4.61 0.00 -1.26 -4.97 120.51 119.34 2k5g n ALA 109 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2k5g n ALA 109 Cb 0.00 0.85 0.00 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.40 2.26 1.20 0.00 0.00 -1.26 -4.86 105.19 102.13 2k5g n GLY 110 Ca -0.02 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 2k5g n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k5g n GLU 111 N 0.00 0.35 -2.17 1.61 0.00 -1.26 -5.15 120.64 114.03 2k5g n GLU 111 Ca 0.00 -0.73 -0.39 0.00 0.00 0.00 0.00 57.16 56.04 2k5g n GLU 111 Cb 0.00 0.89 -0.01 0.00 0.00 0.00 0.00 31.44 32.32 2k5g n GLU 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k5g s ALA 112 N -1.40 3.20 0.23 4.31 0.00 -1.26 -4.83 121.76 122.01 2k5g s ALA 112 Ca 0.05 1.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.81 2k5g s ALA 112 Cb -0.01 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 2k5g s ALA 112 CO 0.04 -0.69 1.53 -1.25 0.00 0.00 0.00 175.76 175.40 2k5g s PRO 113 N -2.27 4.21 0.99 0.00 0.04 -1.26 -4.85 135.00 131.86 2k5g s PRO 113 Ca 0.57 2.40 -0.12 0.00 0.04 0.00 0.00 61.00 63.90 2k5g s PRO 113 Cb -0.34 -3.10 0.19 0.00 0.04 0.00 0.00 34.50 31.28 2k5g s PRO 113 CO 0.44 -0.55 1.08 -1.12 0.04 0.00 0.00 177.00 176.89 2k5g s SER 114 N 0.70 2.52 0.08 6.66 0.01 -0.96 -4.82 113.70 117.88 2k5g s SER 114 Ca 0.65 1.55 -0.01 0.00 1.31 0.00 0.00 55.95 59.45 2k5g s SER 114 Cb -0.44 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2k5g s SER 114 CO 0.40 -3.25 0.00 -1.83 0.41 0.00 0.00 173.24 168.97 2k5g s GLU 115 N -4.76 0.71 -0.10 12.44 -1.05 -0.32 0.53 118.70 126.15 2k5g s GLU 115 Ca 0.66 -1.28 0.00 0.00 -0.15 0.00 0.00 54.97 54.19 2k5g s GLU 115 Cb -0.21 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 33.73 2k5g s GLU 115 CO 0.59 -0.16 -0.07 0.08 0.95 0.00 0.00 175.26 176.65 2k5g s VAL 116 N -3.96 0.94 -0.27 1.83 1.01 0.23 -0.13 120.40 120.05 2k5g s VAL 116 Ca 0.12 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 2k5g s VAL 116 Cb 0.08 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2k5g s VAL 116 CO -0.06 0.34 0.03 -0.22 0.00 0.00 0.00 175.10 175.19 2k5g s LEU 117 N 1.49 3.48 -0.27 3.92 1.98 0.21 -1.24 118.68 128.25 2k5g s LEU 117 Ca 0.00 -0.62 -0.12 0.00 -2.89 0.00 0.00 54.13 50.50 2k5g s LEU 117 Cb -0.13 -1.81 -0.05 0.00 0.66 0.00 0.00 46.19 44.86 2k5g s LEU 117 CO -0.05 -0.13 0.24 -0.36 -1.89 0.00 0.00 176.35 174.17 2k5g s PHE 118 N 1.47 3.24 -0.20 5.38 0.08 0.37 -0.58 117.98 127.75 2k5g s PHE 118 Ca 0.03 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.31 2k5g s PHE 118 Cb -0.16 -2.43 0.04 0.00 -0.57 0.00 0.00 43.02 39.90 2k5g s PHE 118 CO 0.00 -0.16 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.65 2k5g s GLU 119 N 1.79 2.02 -0.14 0.44 2.02 -1.09 -0.97 118.70 122.77 2k5g s GLU 119 Ca 0.10 -0.83 -0.05 0.00 0.02 0.00 0.00 54.97 54.21 2k5g s GLU 119 Cb -0.16 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 2k5g s GLU 119 CO 0.10 -0.42 0.02 -0.51 0.02 0.00 0.00 175.26 174.47 2k5g s LEU 120 N 1.41 3.60 0.07 1.80 1.43 -0.59 -2.12 118.68 124.27 2k5g s LEU 120 Ca -0.01 0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 2k5g s LEU 120 Cb -0.16 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2k5g s LEU 120 CO -0.08 0.24 -0.15 -0.44 0.23 0.00 0.00 176.35 176.16 2k5g s SER 121 N -0.07 4.06 -0.24 2.29 0.01 0.89 -4.66 113.70 115.98 2k5g s SER 121 Ca 0.04 -0.41 -0.11 0.00 1.31 0.00 0.00 55.95 56.78 2k5g s SER 121 Cb -0.13 -0.71 -0.05 0.00 0.21 0.00 0.00 66.02 65.35 2k5g s SER 121 CO 0.02 0.22 0.18 -1.83 0.41 0.00 0.00 173.24 172.25 2k5g s GLU 122 N -1.76 4.06 -0.20 12.44 -1.05 -1.26 -0.97 118.70 129.96 2k5g s GLU 122 Ca 0.17 -0.24 0.12 0.00 -0.15 0.00 0.00 54.97 54.87 2k5g s GLU 122 Cb -0.11 -3.56 0.41 0.00 -0.44 0.00 0.00 34.13 30.44 2k5g s GLU 122 CO 0.09 0.02 1.21 0.00 0.95 0.00 0.00 175.26 177.53 2k5g n ALA 123 N 4.41 3.56 0.00 -0.84 0.00 0.84 -4.97 120.51 123.51 2k5g n ALA 123 Ca -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 53.44 50.04 2k5g n ALA 123 Cb 0.52 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2k5g n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 124 N -1.13 1.42 0.64 0.00 0.00 -1.26 -3.51 105.19 101.35 2k5g n GLY 124 Ca 0.19 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 2.58 -4.37 1.61 2.13 -1.26 -3.52 120.64 117.81 2k5g n GLU 125 Ca 0.00 -1.96 -0.19 0.00 0.66 0.00 0.00 57.16 55.67 2k5g n GLU 125 Cb 0.00 -1.27 -0.10 0.00 0.27 0.00 0.00 31.44 30.34 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 -1.00 1.38 -0.04 5.31 -0.21 -0.62 -0.73 119.66 123.75 2k5g s GLN 126 Ca 0.23 -1.64 -0.00 0.00 0.02 0.00 0.00 55.36 53.97 2k5g s GLN 126 Cb 0.12 -1.13 0.03 0.00 1.00 0.00 0.00 33.01 33.02 2k5g s GLN 126 CO 0.16 0.15 -0.01 0.08 -2.12 0.00 0.00 175.29 173.56 2k5g s VAL 127 N -2.98 0.31 -0.28 1.09 1.01 0.11 -0.11 120.40 119.55 2k5g s VAL 127 Ca 0.24 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 2k5g s VAL 127 Cb 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 2k5g s VAL 127 CO 0.08 0.20 0.60 -0.13 0.00 0.00 0.00 175.10 175.85 2k5g s ARG 128 N 1.31 4.01 -0.09 2.72 0.52 -0.14 -0.05 118.95 127.23 2k5g s ARG 128 Ca -0.05 0.39 0.03 0.00 -0.52 0.00 0.00 55.73 55.57 2k5g s ARG 128 Cb -0.13 -3.68 -0.01 0.00 0.52 0.00 0.00 34.95 31.64 2k5g s ARG 128 CO -0.02 -0.46 -0.19 -1.17 0.02 0.00 0.00 175.30 173.48 2k5g s LEU 129 N 2.49 2.42 -0.08 2.53 0.20 0.40 -0.08 118.68 126.56 2k5g s LEU 129 Ca 0.24 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.67 2k5g s LEU 129 Cb -0.15 -1.50 0.02 0.00 -0.43 0.00 0.00 46.19 44.13 2k5g s LEU 129 CO 0.10 0.22 -0.10 0.54 -0.29 0.00 0.00 176.35 176.81 2k5g s VAL 130 N 0.03 1.06 -0.54 1.68 0.11 -0.90 0.00 120.40 121.83 2k5g s VAL 130 Ca -0.07 -0.39 -0.23 0.00 -2.93 0.00 0.00 61.98 58.36 2k5g s VAL 130 Cb -0.15 -1.01 0.05 0.00 -1.53 0.00 0.00 36.38 33.74 2k5g s VAL 130 CO 0.05 0.35 0.88 -0.22 -3.33 0.00 0.00 175.10 172.83 2k5g s LEU 131 N 1.06 4.29 -0.45 2.54 2.96 0.92 -2.67 118.68 127.33 2k5g s LEU 131 Ca -0.07 -0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 53.27 2k5g s LEU 131 Cb -0.15 -2.74 0.11 0.00 0.50 0.00 0.00 46.19 43.91 2k5g s LEU 131 CO -0.01 -1.16 0.29 -0.89 -1.32 0.00 0.00 176.35 173.26 2k5g s THR 132 N 3.68 4.02 -0.42 3.68 2.01 0.26 -1.84 115.64 127.03 2k5g s THR 132 Ca 0.27 -1.75 -0.17 0.00 0.31 0.00 0.00 61.69 60.36 2k5g s THR 132 Cb -0.14 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.77 2k5g s THR 132 CO 0.17 -0.69 0.41 -2.28 -0.69 0.00 0.00 174.62 171.55 2k5g s HIS 133 N 1.33 3.18 0.45 4.92 2.46 0.99 0.67 115.29 129.29 2k5g s HIS 133 Ca 0.05 -0.41 0.08 0.00 0.47 0.00 0.00 55.06 55.25 2k5g s HIS 133 Cb -0.25 -2.84 0.02 0.00 -0.13 0.00 0.00 32.58 29.39 2k5g s HIS 133 CO -0.01 -0.68 0.59 0.99 -2.47 0.00 0.00 174.74 173.17 2k5g s THR 134 N 2.05 2.81 -0.65 0.89 2.01 0.81 -2.88 115.64 120.68 2k5g s THR 134 Ca 0.11 -1.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.02 2k5g s THR 134 Cb -0.17 -2.84 0.01 0.00 0.01 0.00 0.00 72.50 69.51 2k5g s THR 134 CO 0.13 0.00 0.67 0.54 -0.69 0.00 0.00 174.62 175.26 2k5g n ARG 135 N -1.90 -1.65 -4.00 4.92 3.00 -1.26 -1.18 116.66 114.59 2k5g n ARG 135 Ca 0.09 1.62 -0.33 0.00 -0.01 0.00 0.00 57.85 59.22 2k5g n ARG 135 Cb 0.60 -5.41 -0.14 0.00 0.00 0.00 0.00 32.46 27.51 2k5g n ARG 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2k5g s LEU 136 N -3.64 3.76 0.35 0.55 1.43 -1.26 -3.94 118.68 115.93 2k5g s LEU 136 Ca 0.08 -1.43 0.10 0.00 -1.03 0.00 0.00 54.13 51.85 2k5g s LEU 136 Cb -0.02 -1.62 0.65 0.00 0.03 0.00 0.00 46.19 45.23 2k5g s LEU 136 CO 0.77 -0.24 1.81 0.00 0.23 0.00 0.00 176.35 178.92 2k5g h ALA 137 N 7.85 1.33 -2.45 4.21 0.00 -1.92 -3.46 119.26 124.81 2k5g h ALA 137 Ca -0.19 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.43 2k5g h ALA 137 Cb 1.05 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.61 2k5g h ALA 137 CO 0.50 0.47 0.34 0.34 0.00 0.00 0.00 179.25 180.89 2k5g s ASP 138 N -6.90 -0.50 0.63 0.00 2.15 -1.26 -5.02 116.67 105.77 2k5g s ASP 138 Ca -0.04 0.16 0.40 0.00 0.43 0.00 0.00 52.55 53.50 2k5g s ASP 138 Cb 0.14 0.49 2.09 0.00 -0.30 0.00 0.00 42.92 45.34 2k5g s ASP 138 CO 0.74 -0.73 2.26 0.03 -0.17 0.00 0.00 175.17 177.30 2k5g h ARG 139 N 2.22 0.00 -0.51 4.34 3.08 -1.90 0.14 114.38 121.75 2k5g h ARG 139 Ca -0.27 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 2k5g h ARG 139 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 2k5g h ARG 139 CO 0.35 0.01 0.13 0.00 -1.07 0.00 0.00 179.97 179.39 2k5g h ALA 140 N 1.99 1.27 -0.16 0.04 0.00 -1.87 0.14 119.26 120.67 2k5g h ALA 140 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2k5g h ALA 140 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k5g h ALA 140 CO 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 2k5g h ALA 141 N 1.39 0.22 -0.31 0.00 0.00 -1.09 0.39 119.26 119.87 2k5g h ALA 141 Ca 0.17 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2k5g h ALA 141 Cb 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 2k5g h ALA 141 CO -0.00 -0.05 -0.26 0.52 0.00 0.00 0.00 179.25 179.45 2k5g h MET 142 N 0.03 -0.23 0.00 0.00 2.07 -1.18 0.14 114.93 115.75 2k5g h MET 142 Ca 0.04 0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.67 2k5g h MET 142 Cb 0.42 0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 30.20 2k5g h MET 142 CO 0.01 -0.15 -0.09 -0.07 1.07 0.00 0.00 176.91 177.68 2k5g h LEU 143 N -0.24 0.00 0.13 1.22 3.38 -0.54 0.23 115.31 119.49 2k5g h LEU 143 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2k5g h LEU 143 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2k5g h LEU 143 CO -0.44 0.09 -0.06 -0.78 0.09 0.00 0.00 178.44 177.33 2k5g h ASP 144 N 0.00 -0.14 1.01 -0.43 3.58 0.25 -3.27 116.42 117.42 2k5g h ASP 144 Ca -0.00 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2k5g h ASP 144 Cb 0.28 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2k5g h ASP 144 CO 0.01 0.30 -0.53 -0.37 -2.88 0.00 0.00 179.24 175.77 2k5g h VAL 145 N -0.63 0.00 -0.77 2.25 -1.51 -1.15 -3.38 116.25 111.07 2k5g h VAL 145 Ca -0.02 -0.54 0.16 0.00 -1.23 0.00 0.00 66.70 65.07 2k5g h VAL 145 Cb 0.48 1.20 -0.11 0.00 -2.13 0.00 0.00 31.29 30.74 2k5g h VAL 145 CO 0.03 0.00 0.27 0.00 -1.23 0.00 0.00 177.57 176.63 2k5g h ALA 146 N 2.46 1.08 -0.82 5.19 0.00 -0.59 -1.22 119.26 125.35 2k5g h ALA 146 Ca 0.00 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2k5g h ALA 146 Cb 0.77 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 2k5g h ALA 146 CO 0.00 -0.28 0.48 0.78 0.00 0.00 0.00 179.25 180.22 2k5g h GLY 147 N 0.37 1.27 1.21 0.00 0.00 -1.74 -2.89 103.07 101.28 2k5g h GLY 147 Ca 0.44 -0.32 -0.25 0.00 0.00 0.00 0.00 47.33 47.20 2k5g h GLY 147 CO -0.47 0.15 -0.93 -1.33 0.00 0.00 0.00 176.54 173.96 2k5g h GLY 148 N 0.82 0.82 0.09 4.60 0.00 -1.36 -3.36 103.07 104.68 2k5g h GLY 148 Ca 0.39 -1.31 -0.00 0.00 0.00 0.00 0.00 47.33 46.40 2k5g h GLY 148 CO -0.23 1.17 -0.04 1.49 0.00 0.00 0.00 176.54 178.92 2k5g h TRP 149 N 0.46 -0.11 -0.73 5.60 4.06 -1.26 -3.31 115.95 120.66 2k5g h TRP 149 Ca -0.10 -0.00 0.15 0.00 2.06 0.00 0.00 58.89 61.00 2k5g h TRP 149 Cb 1.57 0.04 -0.10 0.00 -1.00 0.00 0.00 29.16 29.66 2k5g h TRP 149 CO 0.10 -0.07 0.21 1.12 -3.56 0.00 0.00 178.44 176.24 2k5g h HIS 150 N -0.14 0.34 -0.53 0.49 2.07 -1.71 -0.46 115.15 115.21 2k5g h HIS 150 Ca -0.01 0.04 0.09 0.00 -2.85 0.00 0.00 60.37 57.64 2k5g h HIS 150 Cb 0.09 -0.04 -0.07 0.00 2.57 0.00 0.00 27.41 29.96 2k5g h HIS 150 CO 0.17 -0.04 0.15 0.00 -3.07 0.00 0.00 177.93 175.13 2k5g h ALA 151 N 1.59 0.64 0.00 6.11 0.00 -1.71 0.76 119.26 126.64 2k5g h ALA 151 Ca 0.41 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2k5g h ALA 151 Cb 0.68 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2k5g h ALA 151 CO -0.47 -0.27 0.00 1.12 0.00 0.00 0.00 179.25 179.63 2k5g h HIS 152 N 0.30 0.00 0.00 0.00 2.07 -1.16 -1.18 115.15 115.18 2k5g h HIS 152 Ca 0.27 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.77 2k5g h HIS 152 Cb 0.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.32 2k5g h HIS 152 CO -0.20 0.00 -0.09 -0.07 -3.07 0.00 0.00 177.93 174.50 2k5g h LEU 153 N 0.00 0.00 0.18 6.12 -0.00 -0.66 0.12 115.31 121.07 2k5g h LEU 153 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.57 2k5g h LEU 153 Cb 0.68 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.36 2k5g h LEU 153 CO 0.00 0.09 -1.41 0.00 -0.00 0.00 0.00 178.44 177.12 2k5g h ALA 154 N 1.91 0.03 -0.47 1.53 0.00 -1.10 -3.23 119.26 117.93 2k5g h ALA 154 Ca -0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 54.91 53.89 2k5g h ALA 154 Cb 0.37 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2k5g h ALA 154 CO 0.01 0.90 -0.07 0.28 0.00 0.00 0.00 179.25 180.37 2k5g h VAL 155 N 0.10 1.26 0.16 0.00 2.07 -1.21 -1.47 116.25 117.16 2k5g h VAL 155 Ca -0.21 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.19 2k5g h VAL 155 Cb 2.06 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 2k5g h VAL 155 CO 0.22 0.39 -0.25 -0.07 0.02 0.00 0.00 177.57 177.88 2k5g h LEU 156 N 0.76 -0.71 -0.47 2.57 3.38 -0.87 0.20 115.31 120.17 2k5g h LEU 156 Ca 0.13 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2k5g h LEU 156 Cb 0.56 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2k5g h LEU 156 CO 0.03 -0.35 0.04 0.00 0.09 0.00 0.00 178.44 178.25 2k5g h ALA 157 N 0.23 0.63 -0.61 1.53 0.00 -1.55 0.31 119.26 119.80 2k5g h ALA 157 Ca 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2k5g h ALA 157 Cb 0.49 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2k5g h ALA 157 CO -0.12 0.39 0.39 0.78 0.00 0.00 0.00 179.25 180.70 2k5g h GLY 158 N 0.67 0.86 0.92 0.00 0.00 -1.05 -0.28 103.07 104.19 2k5g h GLY 158 Ca 0.14 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 2k5g h GLY 158 CO 0.02 0.29 -0.44 1.70 0.00 0.00 0.00 176.54 178.11 2k5g h LYS 159 N 0.80 0.59 -0.03 4.80 1.63 -0.42 -0.94 116.57 123.00 2k5g h LYS 159 Ca 0.23 -0.41 -0.05 0.00 -0.85 0.00 0.00 60.65 59.57 2k5g h LYS 159 Cb -0.06 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2k5g h LYS 159 CO -0.06 1.03 -0.21 -0.07 -3.45 0.00 0.00 179.45 176.69 2k5g h LEU 160 N 0.25 0.04 -0.27 5.20 3.38 -0.81 0.33 115.31 123.43 2k5g h LEU 160 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k5g h LEU 160 Cb 1.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2k5g h LEU 160 CO 0.09 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.88 2k5g h ALA 161 N 1.75 1.00 0.00 1.53 0.00 -0.97 -3.43 119.26 119.14 2k5g h ALA 161 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k5g h ALA 161 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k5g h ALA 161 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2k5g n GLY 162 N 0.88 0.50 1.27 0.00 0.00 0.11 -4.91 105.19 103.04 2k5g n GLY 162 Ca 0.04 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.87 0.99 -2.79 1.61 10.64 -0.40 -5.01 117.38 119.54 2k5g n GLN 163 Ca 0.00 -1.06 -0.37 0.00 -1.83 0.00 0.00 57.00 53.74 2k5g n GLN 163 Cb 0.00 -0.01 -0.06 0.00 -0.86 0.00 0.00 30.24 29.30 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 -2.24 3.23 0.50 2.61 0.00 -1.26 -4.42 121.76 120.17 2k5g s ALA 164 Ca 0.17 0.51 -0.18 0.00 0.00 0.00 0.00 51.96 52.46 2k5g s ALA 164 Cb -0.01 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 2k5g s ALA 164 CO 0.11 0.18 0.98 -1.25 0.00 0.00 0.00 175.76 175.78 2k5g s PRO 165 N -1.99 3.98 0.70 0.00 0.04 -1.26 -4.86 135.00 131.61 2k5g s PRO 165 Ca 0.49 1.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 2k5g s PRO 165 Cb -0.19 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.23 2k5g s PRO 165 CO 0.24 -0.24 1.08 -1.25 0.04 0.00 0.00 177.00 176.86 2k5g s PRO 166 N -3.84 2.76 -0.36 0.56 0.04 -1.26 -4.92 135.00 127.98 2k5g s PRO 166 Ca 0.60 1.14 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 2k5g s PRO 166 Cb -0.10 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 2k5g s PRO 166 CO 0.27 -1.25 2.31 -0.35 0.04 0.00 0.00 177.00 178.02 2k5g n PRO 167 N -2.95 1.47 0.10 0.56 -0.04 -1.26 -4.81 135.00 128.07 2k5g n PRO 167 Ca 0.09 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 2k5g n PRO 167 Cb 0.53 -3.21 0.31 0.00 -0.04 0.00 0.00 33.50 31.09 2k5g n PRO 167 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2k5g h PHE 168 N 16.60 0.28 -0.47 0.54 3.04 -1.95 -1.17 116.94 133.81 2k5g h PHE 168 Ca -0.32 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.57 2k5g h PHE 168 Cb 1.26 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.68 2k5g h PHE 168 CO 0.95 0.49 0.25 2.35 -2.02 0.00 0.00 178.31 180.33 2k5g h TRP 169 N 0.23 0.65 -0.03 0.41 7.01 -1.88 -1.94 115.95 120.40 2k5g h TRP 169 Ca 0.04 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 2k5g h TRP 169 Cb 0.57 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 2k5g h TRP 169 CO 0.01 0.49 -0.07 1.15 -2.79 0.00 0.00 178.44 177.24 2k5g h THR 170 N 0.61 1.44 -0.50 2.65 2.02 -1.80 -3.04 112.91 114.29 2k5g h THR 170 Ca 0.16 -1.40 0.02 0.00 0.77 0.00 0.00 66.41 65.96 2k5g h THR 170 Cb 0.07 2.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 2k5g h THR 170 CO -0.02 0.38 0.33 0.00 0.37 0.00 0.00 175.52 176.58 2k5g h THR 171 N -0.43 1.10 0.35 3.16 1.03 -1.23 0.42 112.91 117.30 2k5g h THR 171 Ca 0.00 -0.22 -0.01 0.00 -0.01 0.00 0.00 66.41 66.17 2k5g h THR 171 Cb 0.65 0.41 -0.01 0.00 -1.07 0.00 0.00 68.15 68.13 2k5g h THR 171 CO 0.02 0.12 -0.26 0.25 -0.01 0.00 0.00 175.52 175.63 2k5g h LEU 172 N 0.63 -0.67 -0.63 0.00 5.85 -1.34 -1.25 115.31 117.90 2k5g h LEU 172 Ca 0.19 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.86 2k5g h LEU 172 Cb -0.00 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2k5g h LEU 172 CO -0.05 -0.37 -0.01 0.00 -0.34 0.00 0.00 178.44 177.67 2k5g h ALA 173 N -1.44 0.85 0.09 1.25 0.00 -1.37 0.11 119.26 118.75 2k5g h ALA 173 Ca -0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k5g h ALA 173 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k5g h ALA 173 CO 0.02 0.67 -0.04 1.96 0.00 0.00 0.00 179.25 181.85 2k5g h GLN 174 N 0.96 -0.12 0.00 0.00 1.08 -0.97 -1.12 115.11 114.94 2k5g h GLN 174 Ca 0.17 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.30 2k5g h GLN 174 Cb 0.57 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2k5g h GLN 174 CO 0.03 0.22 -0.36 0.00 -0.95 0.00 0.00 178.83 177.77 2k5g h ALA 175 N 0.40 0.86 0.10 3.87 0.00 -1.20 0.13 119.26 123.41 2k5g h ALA 175 Ca -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k5g h ALA 175 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k5g h ALA 175 CO 0.02 0.45 -0.05 0.93 0.00 0.00 0.00 179.25 180.61 2k5g h GLU 176 N 0.00 -0.13 -0.94 0.00 4.39 -0.92 0.15 114.58 117.14 2k5g h GLU 176 Ca -0.00 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2k5g h GLU 176 Cb 1.07 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.70 2k5g h GLU 176 CO 0.05 -0.08 0.62 1.96 -1.16 0.00 0.00 179.01 180.40 2k5g h GLN 177 N -0.14 1.23 -0.34 2.33 1.08 -0.89 0.22 115.11 118.61 2k5g h GLN 177 Ca -0.01 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2k5g h GLN 177 Cb 0.10 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 2k5g h GLN 177 CO 0.02 0.82 0.21 0.22 -0.95 0.00 0.00 178.83 179.15 2k5g h ASP 178 N 1.27 0.34 -0.23 1.46 1.82 -0.37 -1.50 116.42 119.21 2k5g h ASP 178 Ca 0.34 -0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.93 2k5g h ASP 178 Cb -0.15 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 39.78 2k5g h ASP 178 CO -0.07 0.25 -0.06 1.88 -1.61 0.00 0.00 179.24 179.63 2k5g h TYR 179 N 0.43 0.51 0.00 0.28 0.05 -0.30 -2.94 116.97 115.00 2k5g h TYR 179 Ca 0.13 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2k5g h TYR 179 Cb -0.01 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.60 2k5g h TYR 179 CO -0.07 0.68 0.00 0.39 -1.05 0.00 0.00 178.16 178.11 2k5g n GLU 180 N -4.58 0.10 -0.09 4.88 -0.58 0.75 0.55 120.64 121.68 2k5g n GLU 180 Ca -0.04 0.22 -0.16 0.00 -0.42 0.00 0.00 57.16 56.77 2k5g n GLU 180 Cb 0.29 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.57 2k5g n GLU 180 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2k5g h GLN 181 N 0.00 0.00 0.18 3.49 -0.00 -1.09 -3.42 115.11 114.27 2k5g h GLN 181 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.31 2k5g h GLN 181 Cb 0.08 0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.57 2k5g h GLN 181 CO 0.00 0.73 -1.71 0.00 0.00 0.00 0.00 178.83 177.86 2k5g h ARG 182 N -1.00 0.37 -6.42 1.69 2.47 -1.42 -3.46 114.38 106.61 2k5g h ARG 182 Ca -0.19 -0.64 -0.53 0.00 -1.26 0.00 0.00 59.98 57.36 2k5g h ARG 182 Cb 1.00 0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 29.54 2k5g h ARG 182 CO -0.12 1.28 -0.17 -1.17 0.56 0.00 0.00 179.97 180.36 2k5g s LEU 183 N -7.24 4.11 -0.11 3.04 2.96 0.19 -5.09 118.68 116.55 2k5g s LEU 183 Ca -0.14 0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 54.45 2k5g s LEU 183 Cb 0.06 -3.51 0.04 0.00 0.50 0.00 0.00 46.19 43.28 2k5g s LEU 183 CO 0.86 -0.13 0.06 -0.22 -1.32 0.00 0.00 176.35 175.60 2k5g s LEU 184 N -3.29 0.37 0.00 -0.68 0.20 -1.26 -4.34 118.68 109.68 2k5g s LEU 184 Ca 0.44 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.98 2k5g s LEU 184 Cb -0.11 -0.26 0.00 0.00 -0.43 0.00 0.00 46.19 45.39 2k5g s LEU 184 CO 0.28 -0.28 0.00 -0.62 -0.29 0.00 0.00 176.35 175.43 2k5g n GLU 185 N 5.25 0.00 -2.51 1.98 -0.58 -1.26 -4.80 120.64 118.72 2k5g n GLU 185 Ca -0.06 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.25 2k5g n GLU 185 Cb 0.49 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.34 2k5g n GLU 185 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2k5g s HIS 186 N 0.00 2.71 0.32 -0.32 5.65 -1.26 -4.56 115.29 117.83 2k5g s HIS 186 Ca 0.00 0.77 -0.29 0.00 0.25 0.00 0.00 55.06 55.79 2k5g s HIS 186 Cb 0.00 -4.26 -0.10 0.00 -1.18 0.00 0.00 32.58 27.03 2k5g s HIS 186 CO 0.00 -1.48 1.33 -3.38 -0.65 0.00 0.00 174.74 170.55 2k5g s HIS 187 N 4.66 3.03 1.03 3.88 -3.43 -1.26 -4.89 115.29 118.30 2k5g s HIS 187 Ca 0.53 1.37 -0.18 0.00 -0.80 0.00 0.00 55.06 55.98 2k5g s HIS 187 Cb -0.11 -3.70 0.24 0.00 -1.43 0.00 0.00 32.58 27.58 2k5g s HIS 187 CO 0.29 -1.97 1.33 -1.01 -2.00 0.00 0.00 174.74 171.38 2k5g s HIS 188 N -1.02 1.11 0.02 0.38 3.76 -1.26 -5.05 115.29 113.22 2k5g s HIS 188 Ca 0.50 0.23 0.02 0.00 -0.15 0.00 0.00 55.06 55.66 2k5g s HIS 188 Cb -0.40 -4.18 -0.01 0.00 1.11 0.00 0.00 32.58 29.09 2k5g s HIS 188 CO 0.52 -3.03 -0.08 -3.38 -0.85 0.00 0.00 174.74 167.92 2k5g s HIS 189 N -3.85 0.68 -0.10 1.40 -3.43 -1.26 -5.05 115.29 103.69 2k5g s HIS 189 Ca 0.76 -0.29 0.15 0.00 -0.80 0.00 0.00 55.06 54.88 2k5g s HIS 189 Cb -0.03 -0.42 -0.21 0.00 -1.43 0.00 0.00 32.58 30.49 2k5g s HIS 189 CO 0.54 -0.03 0.17 1.58 -2.00 0.00 0.00 174.74 175.01 2k5g n HIS 190 N 2.23 0.00 -0.84 0.38 -0.00 -1.26 -5.27 115.22 110.46 2k5g n HIS 190 Ca -0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.01 2k5g n HIS 190 Cb 0.56 -0.60 0.00 0.00 -0.12 0.00 0.00 29.99 29.83 2k5g n HIS 190 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52