#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5g s THR 2 N 0.00 2.88 -0.24 2.03 2.01 -1.26 -5.11 115.64 115.95 2k5g s THR 2 Ca 0.00 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 2k5g s THR 2 Cb 0.00 -2.12 0.12 0.00 0.01 0.00 0.00 72.50 70.51 2k5g s THR 2 CO 0.00 0.58 0.30 -0.44 -0.69 0.00 0.00 174.62 174.37 2k5g s SER 3 N -0.55 0.97 -0.15 3.53 0.01 -1.26 -5.12 113.70 111.13 2k5g s SER 3 Ca 0.08 -0.18 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 2k5g s SER 3 Cb -0.11 0.72 -0.01 0.00 0.21 0.00 0.00 66.02 66.82 2k5g s SER 3 CO 0.01 -0.33 1.10 -2.84 0.41 0.00 0.00 173.24 171.59 2k5g s PRO 4 N 2.43 4.32 0.05 12.44 0.02 -1.26 -4.99 135.00 148.01 2k5g s PRO 4 Ca 0.10 1.48 -0.04 0.00 0.02 0.00 0.00 61.00 62.56 2k5g s PRO 4 Cb -0.15 -3.61 -0.02 0.00 0.02 0.00 0.00 34.50 30.73 2k5g s PRO 4 CO -0.19 -0.51 0.06 -1.12 -0.33 0.00 0.00 177.00 174.92 2k5g s SER 5 N 1.35 0.28 -0.81 2.53 0.01 -1.26 -5.09 113.70 110.72 2k5g s SER 5 Ca 0.49 -0.73 -0.26 0.00 1.31 0.00 0.00 55.95 56.77 2k5g s SER 5 Cb -0.19 0.23 0.03 0.00 0.21 0.00 0.00 66.02 66.30 2k5g s SER 5 CO 0.14 -0.58 1.39 -0.44 0.41 0.00 0.00 173.24 174.17 2k5g s SER 6 N -2.53 6.15 -0.31 2.44 0.01 -1.26 -4.97 113.70 113.23 2k5g s SER 6 Ca 0.01 -0.66 -0.07 0.00 1.31 0.00 0.00 55.95 56.54 2k5g s SER 6 Cb 0.03 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.72 2k5g s SER 6 CO -0.08 -1.82 0.09 0.00 0.41 0.00 0.00 173.24 171.85 2k5g s ALA 7 N 5.92 3.07 -0.12 1.44 0.00 -1.26 -4.41 121.76 126.40 2k5g s ALA 7 Ca 0.41 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.85 2k5g s ALA 7 Cb -0.06 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.87 2k5g s ALA 7 CO 0.08 -1.05 -0.15 -0.06 0.00 0.00 0.00 175.76 174.59 2k5g s PHE 8 N 1.48 2.03 0.56 0.00 0.08 -1.24 -4.82 117.98 116.06 2k5g s PHE 8 Ca 0.02 -1.03 -0.17 0.00 0.12 0.00 0.00 56.93 55.87 2k5g s PHE 8 Cb -0.18 -1.48 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 2k5g s PHE 8 CO 0.03 -0.55 1.04 -2.14 -0.10 0.00 0.00 175.22 173.50 2k5g s PRO 9 N 1.19 3.52 -0.01 0.24 0.02 -1.26 -4.14 135.00 134.55 2k5g s PRO 9 Ca -0.02 1.22 -0.18 0.00 0.02 0.00 0.00 61.00 62.04 2k5g s PRO 9 Cb -0.14 -2.06 0.03 0.00 0.02 0.00 0.00 34.50 32.35 2k5g s PRO 9 CO -0.05 -0.65 0.38 0.34 -0.33 0.00 0.00 177.00 176.70 2k5g s ASP 10 N -2.60 -0.28 -1.13 2.53 2.15 -1.26 -4.97 116.67 111.11 2k5g s ASP 10 Ca 0.64 0.17 -0.06 0.00 0.43 0.00 0.00 52.55 53.74 2k5g s ASP 10 Cb -0.15 0.36 0.27 0.00 -0.30 0.00 0.00 42.92 43.10 2k5g s ASP 10 CO 0.32 -0.51 1.52 0.61 -0.17 0.00 0.00 175.17 176.94 2k5g n GLY 11 N 1.10 4.93 3.46 2.66 0.00 -1.26 -3.98 105.19 112.10 2k5g n GLY 11 Ca -0.21 -2.52 -0.43 0.00 0.00 0.00 0.00 46.02 42.86 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 -1.85 2.76 -0.38 1.61 2.46 -1.26 -4.93 115.29 113.70 2k5g s HIS 12 Ca 0.33 -0.50 0.03 0.00 0.47 0.00 0.00 55.06 55.38 2k5g s HIS 12 Cb 0.04 -4.16 0.16 0.00 -0.13 0.00 0.00 32.58 28.49 2k5g s HIS 12 CO 0.06 -1.51 0.34 0.20 -2.47 0.00 0.00 174.74 171.36 2k5g s GLY 13 N 3.44 0.44 0.00 1.59 0.00 -1.26 -3.63 107.32 107.91 2k5g s GLY 13 Ca 0.22 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.38 2k5g s GLY 13 CO 0.11 2.45 0.00 0.00 0.00 0.00 0.00 173.10 175.67 2k5g n ALA 14 N 3.79 0.00 -3.76 3.20 0.00 -1.26 -4.97 120.51 117.51 2k5g n ALA 14 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.36 2k5g n ALA 14 Cb 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.72 2k5g n ALA 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k5g s ARG 15 N 0.00 1.14 0.59 0.00 1.81 -1.26 -5.13 118.95 116.10 2k5g s ARG 15 Ca 0.00 -0.14 -0.17 0.00 -1.72 0.00 0.00 55.73 53.71 2k5g s ARG 15 Cb 0.00 -1.25 -0.04 0.00 -0.45 0.00 0.00 34.95 33.22 2k5g s ARG 15 CO 0.00 -0.21 1.09 -0.48 -0.68 0.00 0.00 175.30 175.02 2k5g s LEU 16 N 1.53 3.56 -0.16 2.53 0.05 -1.26 -4.97 118.68 119.96 2k5g s LEU 16 Ca -0.00 1.96 -0.18 0.00 0.05 0.00 0.00 54.13 55.96 2k5g s LEU 16 Cb -0.13 -4.55 -0.04 0.00 -2.05 0.00 0.00 46.19 39.42 2k5g s LEU 16 CO -0.04 -1.27 0.49 -0.62 -0.55 0.00 0.00 176.35 174.36 2k5g s ASP 17 N -2.41 6.62 0.84 1.48 -1.08 -1.24 -5.05 116.67 115.83 2k5g s ASP 17 Ca 0.67 0.74 -0.05 0.00 -0.52 0.00 0.00 52.55 53.39 2k5g s ASP 17 Cb -0.19 -2.29 0.09 0.00 -1.46 0.00 0.00 42.92 39.07 2k5g s ASP 17 CO 0.34 -0.08 0.56 0.00 0.52 0.00 0.00 175.17 176.51 2k5g n ALA 18 N 4.19 -0.42 -0.72 3.66 0.00 -1.26 -3.99 120.51 121.97 2k5g n ALA 18 Ca -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.54 2k5g n ALA 18 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.14 0.00 -2.86 0.00 6.02 -1.26 -4.85 117.38 112.29 2k5g n GLN 19 Ca 0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.05 2k5g n GLN 19 Cb 0.27 -3.04 0.01 0.00 1.02 0.00 0.00 30.24 28.50 2k5g n GLN 19 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2k5g n SER 20 N 0.00 -1.07 -4.48 1.08 7.64 -1.26 -4.96 113.62 110.57 2k5g n SER 20 Ca 0.00 -1.58 -0.42 0.00 1.01 0.00 0.00 58.87 57.87 2k5g n SER 20 Cb 0.00 1.74 -0.10 0.00 -1.01 0.00 0.00 64.21 64.84 2k5g n SER 20 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k5g s ILE 21 N -2.29 5.24 -0.24 0.44 1.01 -1.16 -4.90 121.20 119.29 2k5g s ILE 21 Ca 0.13 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 2k5g s ILE 21 Cb -0.02 -3.90 0.08 0.00 0.01 0.00 0.00 42.46 38.64 2k5g s ILE 21 CO 0.04 -0.25 0.09 -0.13 0.00 0.00 0.00 174.94 174.68 2k5g s ARG 22 N 1.77 0.39 -0.20 2.79 3.00 -1.24 0.02 118.95 125.48 2k5g s ARG 22 Ca 0.07 -0.52 0.01 0.00 0.00 0.00 0.00 55.73 55.29 2k5g s ARG 22 Cb -0.18 -1.71 0.04 0.00 0.00 0.00 0.00 34.95 33.09 2k5g s ARG 22 CO 0.11 -0.84 -0.13 -0.06 0.00 0.00 0.00 175.30 174.38 2k5g s PHE 23 N 1.95 2.56 -0.13 -0.53 0.40 -0.58 -3.66 117.98 118.00 2k5g s PHE 23 Ca 0.05 -1.65 -0.14 0.00 -0.60 0.00 0.00 56.93 54.59 2k5g s PHE 23 Cb -0.17 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.60 2k5g s PHE 23 CO -0.21 -0.76 0.31 -1.83 0.70 0.00 0.00 175.22 173.42 2k5g s GLU 24 N 1.35 4.13 0.03 0.44 4.04 -1.26 -0.09 118.70 127.34 2k5g s GLU 24 Ca -0.00 0.14 0.03 0.00 0.04 0.00 0.00 54.97 55.18 2k5g s GLU 24 Cb -0.16 -3.37 -0.02 0.00 0.02 0.00 0.00 34.13 30.60 2k5g s GLU 24 CO -0.09 0.36 -0.09 0.50 -1.84 0.00 0.00 175.26 174.10 2k5g s ARG 25 N 0.09 0.62 -0.15 -4.83 3.52 0.23 -4.47 118.95 113.96 2k5g s ARG 25 Ca 0.18 -0.61 -0.15 0.00 -0.13 0.00 0.00 55.73 55.02 2k5g s ARG 25 Cb -0.14 -0.51 -0.04 0.00 -1.56 0.00 0.00 34.95 32.70 2k5g s ARG 25 CO 0.06 0.12 0.36 -1.17 -0.81 0.00 0.00 175.30 173.86 2k5g s LEU 26 N -1.07 4.25 0.23 -0.88 1.98 -1.24 -0.63 118.68 121.31 2k5g s LEU 26 Ca -0.03 0.61 0.07 0.00 -2.89 0.00 0.00 54.13 51.88 2k5g s LEU 26 Cb -0.07 -2.50 -0.05 0.00 0.66 0.00 0.00 46.19 44.23 2k5g s LEU 26 CO 0.01 0.05 -0.10 -0.76 -1.89 0.00 0.00 176.35 173.65 2k5g s LEU 27 N 0.60 2.50 0.19 -0.68 1.02 0.59 -4.08 118.68 118.82 2k5g s LEU 27 Ca 0.20 -1.09 -0.25 0.00 0.02 0.00 0.00 54.13 53.01 2k5g s LEU 27 Cb -0.14 -0.60 -0.08 0.00 0.02 0.00 0.00 46.19 45.39 2k5g s LEU 27 CO 0.06 -0.27 0.79 -2.16 0.02 0.00 0.00 176.35 174.80 2k5g s PRO 28 N -3.70 4.54 0.00 1.29 0.04 -1.26 -0.68 135.00 135.23 2k5g s PRO 28 Ca 0.25 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2k5g s PRO 28 Cb 0.01 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2k5g s PRO 28 CO 0.08 0.52 0.00 0.41 0.04 0.00 0.00 177.00 178.06 2k5g n GLY 29 N 1.39 3.83 0.24 0.56 0.00 -1.01 -4.79 105.19 105.41 2k5g n GLY 29 Ca -0.04 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.52 0.00 1.61 0.13 -1.77 -3.04 132.00 128.41 2k5g h PRO 30 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2k5g h PRO 30 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2k5g h PRO 30 CO 0.00 -0.21 0.00 1.51 -0.23 0.00 0.00 178.00 179.07 2k5g n ILE 31 N -5.20 0.00 -0.26 -3.56 3.06 -1.26 -3.95 119.36 108.18 2k5g n ILE 31 Ca -0.10 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.08 2k5g n ILE 31 Cb 0.29 0.00 0.06 0.00 0.54 0.00 0.00 39.64 40.52 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2k5g h GLU 32 N 0.00 1.16 -0.74 9.51 5.08 -1.93 -2.59 114.58 125.07 2k5g h GLU 32 Ca 0.00 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2k5g h GLU 32 Cb 0.00 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 2k5g h GLU 32 CO 0.00 0.99 0.49 -0.09 -1.00 0.00 0.00 179.01 179.40 2k5g h ARG 33 N 1.11 0.89 -0.20 2.33 2.43 -1.94 -2.24 114.38 116.75 2k5g h ARG 33 Ca 0.24 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 2k5g h ARG 33 Cb 0.33 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2k5g h ARG 33 CO -0.00 0.59 -0.26 0.28 -1.51 0.00 0.00 179.97 179.07 2k5g h VAL 34 N 0.91 1.26 -0.19 0.20 2.07 -1.78 -2.66 116.25 116.07 2k5g h VAL 34 Ca 0.29 -1.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 2k5g h VAL 34 Cb 0.03 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2k5g h VAL 34 CO -0.08 0.38 -0.14 -0.25 0.02 0.00 0.00 177.57 177.50 2k5g h TRP 35 N 0.34 0.33 -0.81 1.57 2.91 -1.36 -2.92 115.95 116.00 2k5g h TRP 35 Ca 0.05 -0.04 0.17 0.00 1.13 0.00 0.00 58.89 60.20 2k5g h TRP 35 Cb 0.63 -0.09 -0.10 0.00 -0.51 0.00 0.00 29.16 29.09 2k5g h TRP 35 CO 0.02 0.45 0.34 0.00 -1.03 0.00 0.00 178.44 178.21 2k5g h ALA 36 N 1.57 1.19 0.00 2.65 0.00 -1.46 0.36 119.26 123.56 2k5g h ALA 36 Ca 0.06 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2k5g h ALA 36 Cb 0.43 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k5g h ALA 36 CO 0.03 -0.24 -0.34 -1.49 0.00 0.00 0.00 179.25 177.21 2k5g h TRP 37 N 0.44 0.00 0.01 0.00 6.55 -1.66 0.29 115.95 121.58 2k5g h TRP 37 Ca 0.46 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 60.11 2k5g h TRP 37 Cb 0.76 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.04 2k5g h TRP 37 CO -0.16 0.34 -0.92 -0.07 -1.05 0.00 0.00 178.44 176.58 2k5g h LEU 38 N 0.00 0.08 0.00 -4.49 3.38 -0.45 -3.38 115.31 110.45 2k5g h LEU 38 Ca -0.00 -0.08 -0.36 0.00 0.09 0.00 0.00 57.88 57.53 2k5g h LEU 38 Cb 0.76 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 2k5g h LEU 38 CO 0.04 0.96 -2.35 0.00 0.09 0.00 0.00 178.44 177.18 2k5g n ALA 39 N -2.40 1.50 -1.94 1.53 0.00 0.11 -4.89 120.51 114.41 2k5g n ALA 39 Ca -0.02 -1.10 -0.42 0.00 0.00 0.00 0.00 53.44 51.90 2k5g n ALA 39 Cb 0.86 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.20 2k5g n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k5g s ASP 40 N -6.02 6.51 0.30 0.00 2.15 0.99 -3.97 116.67 116.64 2k5g s ASP 40 Ca -0.25 2.20 0.26 0.00 0.43 0.00 0.00 52.55 55.18 2k5g s ASP 40 Cb 0.07 -2.53 0.92 0.00 -0.30 0.00 0.00 42.92 41.08 2k5g s ASP 40 CO 0.62 -1.06 1.76 0.00 -0.17 0.00 0.00 175.17 176.32 2k5g h ALA 41 N 10.24 1.00 0.14 3.66 0.00 -1.83 -1.77 119.26 130.70 2k5g h ALA 41 Ca -0.40 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 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 0.96 0.00 -0.07 0.22 0.00 0.00 0.00 179.25 180.36 2k5g h ASP 42 N 0.00 -0.16 0.49 0.00 3.58 -1.89 -3.25 116.42 115.18 2k5g h ASP 42 Ca 0.00 -0.12 -0.24 0.00 0.42 0.00 0.00 57.03 57.09 2k5g h ASP 42 Cb 0.58 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2k5g h ASP 42 CO 0.00 0.37 -1.07 0.07 -2.88 0.00 0.00 179.24 175.73 2k5g h LYS 43 N -1.03 0.33 -0.30 0.28 2.10 -1.92 -3.30 116.57 112.73 2k5g h LYS 43 Ca -0.02 -0.43 -0.02 0.00 -2.00 0.00 0.00 60.65 58.17 2k5g h LYS 43 Cb 0.27 0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.73 2k5g h LYS 43 CO 0.03 1.14 0.08 -0.09 -2.00 0.00 0.00 179.45 178.62 2k5g h ARG 44 N 0.15 0.43 0.00 0.07 2.43 -1.49 -0.70 114.38 115.27 2k5g h ARG 44 Ca -0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2k5g h ARG 44 Cb 1.74 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 2k5g h ARG 44 CO 0.18 0.40 0.00 0.00 -1.51 0.00 0.00 179.97 179.03 2k5g n ALA 45 N -2.48 1.87 0.60 2.80 0.00 -0.95 0.69 120.51 123.04 2k5g n ALA 45 Ca 0.01 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.45 2k5g n ALA 45 Cb 0.16 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.11 1.67 0.00 0.00 3.00 -0.27 -3.94 116.66 116.01 2k5g n ARG 46 Ca 0.08 -0.85 0.00 0.00 -0.01 0.00 0.00 57.85 57.07 2k5g n ARG 46 Cb 0.06 -1.21 0.00 0.00 0.00 0.00 0.00 32.46 31.31 2k5g n ARG 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 2k5g n TRP 47 N 0.02 0.00 0.00 -1.55 4.27 -0.01 -4.79 117.44 115.38 2k5g n TRP 47 Ca 0.06 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.67 2k5g n TRP 47 Cb 0.30 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.25 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 -0.57 0.00 0.00 5.67 -0.00 0.22 -4.81 117.00 117.51 2k5g n LEU 48 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2k5g n LEU 48 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2k5g n LEU 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 2k5g n ALA 49 N -0.15 -1.54 -0.50 1.96 0.00 0.79 -4.91 120.51 116.16 2k5g n ALA 49 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2k5g n ALA 49 Cb 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 2k5g n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 50 N -0.97 -1.64 1.66 0.00 0.00 -1.21 -4.55 105.19 98.48 2k5g n GLY 50 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2k5g n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 51 N -0.38 -1.81 3.74 -0.02 0.00 -1.26 -2.25 105.19 103.22 2k5g n GLY 51 Ca 0.00 0.46 -0.35 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.58 2.63 0.08 1.61 1.03 -1.25 -4.68 118.70 116.54 2k5g s GLU 52 Ca 0.00 1.74 0.07 0.00 0.03 0.00 0.00 54.97 56.81 2k5g s GLU 52 Cb 0.00 -1.90 -0.03 0.00 -0.80 0.00 0.00 34.13 31.40 2k5g s GLU 52 CO 0.00 -1.45 -0.19 -0.51 -1.33 0.00 0.00 175.26 171.78 2k5g s LEU 53 N -4.59 2.25 0.62 1.83 1.43 -1.26 -4.89 118.68 114.08 2k5g s LEU 53 Ca 0.75 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 53.06 2k5g s LEU 53 Cb -0.29 -0.80 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 2k5g s LEU 53 CO 0.39 0.05 1.18 -2.16 0.23 0.00 0.00 176.35 176.05 2k5g s PRO 54 N -1.62 2.83 0.12 1.29 0.04 -1.26 -4.96 135.00 131.43 2k5g s PRO 54 Ca 0.05 1.72 0.02 0.00 0.04 0.00 0.00 61.00 62.83 2k5g s PRO 54 Cb -0.09 -1.92 -0.18 0.00 0.04 0.00 0.00 34.50 32.34 2k5g s PRO 54 CO 0.03 -1.29 1.26 0.00 0.04 0.00 0.00 177.00 177.04 2k5g h ARG 55 N 0.57 0.15 -6.74 4.56 3.08 -2.00 -3.44 114.38 110.55 2k5g h ARG 55 Ca -0.49 -0.22 -0.49 0.00 0.07 0.00 0.00 59.98 58.84 2k5g h ARG 55 Cb 1.29 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.39 2k5g h ARG 55 CO 0.54 1.06 0.26 -0.65 -1.07 0.00 0.00 179.97 180.12 2k5g s GLN 56 N -2.83 4.53 0.04 0.04 -0.21 -1.26 -5.06 119.66 114.91 2k5g s GLN 56 Ca -0.02 1.20 -0.21 0.00 0.02 0.00 0.00 55.36 56.35 2k5g s GLN 56 Cb 0.09 -2.94 -0.06 0.00 1.00 0.00 0.00 33.01 31.10 2k5g s GLN 56 CO 0.84 0.38 0.63 -1.25 -2.12 0.00 0.00 175.29 173.77 2k5g s PRO 57 N -1.81 4.33 0.00 2.91 0.04 -1.26 -3.79 135.00 135.42 2k5g s PRO 57 Ca 0.45 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2k5g s PRO 57 Cb -0.20 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2k5g s PRO 57 CO 0.24 0.44 0.00 0.41 0.04 0.00 0.00 177.00 178.13 2k5g n GLY 58 N 2.19 3.16 3.81 0.56 0.00 -1.09 -5.05 105.19 108.77 2k5g n GLY 58 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.71 1.79 0.00 1.61 -0.21 -1.25 -4.83 119.66 116.07 2k5g s GLN 59 Ca 0.00 0.44 0.01 0.00 0.02 0.00 0.00 55.36 55.83 2k5g s GLN 59 Cb 0.00 -1.90 -0.04 0.00 1.00 0.00 0.00 33.01 32.07 2k5g s GLN 59 CO 0.00 -1.78 0.03 0.95 -2.12 0.00 0.00 175.29 172.37 2k5g s THR 60 N -3.26 4.34 0.28 -0.19 -4.23 -1.26 -2.63 115.64 108.69 2k5g s THR 60 Ca 0.62 -0.56 0.09 0.00 -1.18 0.00 0.00 61.69 60.66 2k5g s THR 60 Cb -0.14 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 2k5g s THR 60 CO 0.53 0.35 0.07 0.72 -0.54 0.00 0.00 174.62 175.76 2k5g s PHE 61 N -1.13 2.78 -0.32 3.99 -0.12 0.14 -4.83 117.98 118.49 2k5g s PHE 61 Ca 0.21 -0.25 -0.12 0.00 -0.05 0.00 0.00 56.93 56.73 2k5g s PHE 61 Cb -0.12 -1.36 -0.02 0.00 -0.63 0.00 0.00 43.02 40.89 2k5g s PHE 61 CO 0.12 0.52 0.21 -1.21 -0.05 0.00 0.00 175.22 174.81 2k5g s GLU 62 N -3.75 3.55 -0.07 1.99 2.02 -1.26 -0.68 118.70 120.50 2k5g s GLU 62 Ca 0.33 -0.59 -0.23 0.00 0.02 0.00 0.00 54.97 54.51 2k5g s GLU 62 Cb -0.06 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.43 2k5g s GLU 62 CO 0.22 -0.38 0.66 -1.17 0.02 0.00 0.00 175.26 174.61 2k5g s LEU 63 N 1.70 4.31 -0.21 1.80 2.96 0.10 -4.82 118.68 124.53 2k5g s LEU 63 Ca 0.06 1.13 -0.02 0.00 -0.22 0.00 0.00 54.13 55.09 2k5g s LEU 63 Cb -0.17 -3.02 0.06 0.00 0.50 0.00 0.00 46.19 43.56 2k5g s LEU 63 CO 0.09 -0.09 0.00 -2.28 -1.32 0.00 0.00 176.35 172.76 2k5g s HIS 64 N 0.73 1.50 0.17 5.38 5.65 -1.25 -0.54 115.29 126.94 2k5g s HIS 64 Ca 0.36 -1.17 -0.09 0.00 0.25 0.00 0.00 55.06 54.41 2k5g s HIS 64 Cb -0.17 -1.22 -0.01 0.00 -1.18 0.00 0.00 32.58 30.00 2k5g s HIS 64 CO 0.17 -0.67 0.30 -0.59 -0.65 0.00 0.00 174.74 173.30 2k5g s PHE 65 N 1.70 0.38 0.00 3.88 -0.71 -0.32 -3.30 117.98 119.61 2k5g s PHE 65 Ca -0.03 -0.75 -0.25 0.00 -1.04 0.00 0.00 56.93 54.86 2k5g s PHE 65 Cb -0.18 -0.04 0.08 0.00 -1.21 0.00 0.00 43.02 41.68 2k5g s PHE 65 CO -0.07 -0.73 1.15 0.27 -1.34 0.00 0.00 175.22 174.50 2k5g n ASN 66 N -0.22 -1.16 -4.65 1.98 2.04 -1.25 -0.21 115.26 111.78 2k5g n ASN 66 Ca -0.07 -1.30 -0.31 0.00 -0.44 0.00 0.00 54.58 52.46 2k5g n ASN 66 Cb 0.63 1.82 0.17 0.00 -2.53 0.00 0.00 39.78 39.86 2k5g n ASN 66 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k5g n HIS 67 N -0.83 0.73 0.00 -2.53 1.44 -0.93 -2.45 115.22 110.65 2k5g n HIS 67 Ca 0.03 0.39 0.00 0.00 -2.01 0.00 0.00 57.72 56.13 2k5g n HIS 67 Cb 0.53 -1.99 0.00 0.00 0.12 0.00 0.00 29.99 28.65 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k5g n ALA 68 N -4.20 0.00 -0.04 1.59 0.00 -1.26 -4.43 120.51 112.17 2k5g n ALA 68 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 2k5g n ALA 68 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 0.71 -3.00 0.00 0.00 -1.89 -3.45 119.26 111.63 2k5g h ALA 69 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2k5g h ALA 69 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2k5g h ALA 69 CO 0.00 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.20 2k5g n LEU 70 N -4.02 0.00 0.00 0.00 7.99 -1.02 -4.45 117.00 115.50 2k5g n LEU 70 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.97 2k5g n LEU 70 Cb 0.55 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.87 2k5g n LEU 70 CO 0.47 0.00 0.03 0.35 -1.51 0.00 0.00 177.39 176.73 2k5g n THR 71 N 0.00 0.00 -2.13 -5.08 -2.24 -1.26 -4.86 114.28 98.70 2k5g n THR 71 Ca 0.00 -0.03 -0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2k5g n THR 71 Cb 0.00 -1.71 -0.00 0.00 -2.10 0.00 0.00 70.33 66.51 2k5g n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k5g n ALA 72 N -3.04 -3.28 0.11 6.98 0.00 -1.26 -4.17 120.51 115.85 2k5g n ALA 72 Ca -0.01 0.43 -0.06 0.00 0.00 0.00 0.00 53.44 53.80 2k5g n ALA 72 Cb 0.02 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 1.71 -0.36 -3.89 0.00 4.22 -1.98 -3.37 114.58 110.90 2k5g h GLU 73 Ca -0.05 0.02 -0.53 0.00 0.08 0.00 0.00 59.36 58.88 2k5g h GLU 73 Cb 0.11 0.08 -0.39 0.00 0.50 0.00 0.00 28.75 29.06 2k5g h GLU 73 CO 0.05 -0.24 -0.78 0.95 -2.18 0.00 0.00 179.01 176.81 2k5g s THR 74 N -2.77 0.85 0.07 0.32 -4.23 -1.26 -4.93 115.64 103.67 2k5g s THR 74 Ca -0.06 -0.59 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 2k5g s THR 74 Cb 0.01 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.65 2k5g s THR 74 CO 0.17 -0.02 -0.13 0.00 -0.54 0.00 0.00 174.62 174.09 2k5g s ALA 75 N 1.73 1.11 0.88 3.99 0.00 -1.26 -5.13 121.76 123.07 2k5g s ALA 75 Ca -0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 2k5g s ALA 75 Cb -0.16 -0.09 0.13 0.00 0.00 0.00 0.00 23.12 23.00 2k5g s ALA 75 CO -0.07 0.15 1.14 -2.14 0.00 0.00 0.00 175.76 174.84 2k5g s PRO 76 N -1.68 1.27 0.30 0.00 0.02 -1.26 -4.54 135.00 129.11 2k5g s PRO 76 Ca -0.03 1.51 0.05 0.00 0.02 0.00 0.00 61.00 62.56 2k5g s PRO 76 Cb -0.10 -1.76 0.74 0.00 0.02 0.00 0.00 34.50 33.41 2k5g s PRO 76 CO 0.02 -2.44 1.75 0.00 -0.33 0.00 0.00 177.00 176.00 2k5g h ALA 77 N -1.66 1.61 0.00 -1.55 0.00 -2.01 0.39 119.26 116.04 2k5g h ALA 77 Ca -0.43 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k5g h ALA 77 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2k5g h ALA 77 CO 0.43 -0.16 0.00 2.89 0.00 0.00 0.00 179.25 182.42 2k5g n ARG 78 N -4.86 0.02 -0.05 0.00 1.85 -1.26 -1.51 116.66 110.85 2k5g n ARG 78 Ca 0.23 0.25 0.02 0.00 -1.00 0.00 0.00 57.85 57.34 2k5g n ARG 78 Cb 0.61 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.54 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 -1.48 0.00 -1.00 2.89 4.01 0.11 -4.70 117.16 116.98 2k5g n TYR 79 Ca 0.04 -0.42 0.09 0.00 -0.16 0.00 0.00 57.90 57.45 2k5g n TYR 79 Cb 0.16 -0.05 0.20 0.00 -0.31 0.00 0.00 39.34 39.34 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 -0.49 2.64 -0.07 -0.72 0.00 0.43 -4.61 120.51 117.69 2k5g n ALA 80 Ca 0.02 -2.42 -0.06 0.00 0.00 0.00 0.00 53.44 50.99 2k5g n ALA 80 Cb 0.40 -0.55 0.14 0.00 0.00 0.00 0.00 19.45 19.44 2k5g n ALA 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2k5g h GLN 81 N 0.97 0.71 -0.65 0.00 -0.00 -1.83 -2.10 115.11 112.22 2k5g h GLN 81 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 2k5g h GLN 81 Cb 1.22 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 2k5g h GLN 81 CO 0.12 0.83 0.00 2.48 -0.00 0.00 0.00 178.83 182.26 2k5g n TYR 82 N -4.15 1.31 1.25 0.06 4.11 -1.26 -4.09 117.16 114.38 2k5g n TYR 82 Ca 0.01 -0.53 0.14 0.00 -0.00 0.00 0.00 57.90 57.52 2k5g n TYR 82 Cb 0.38 -0.21 0.53 0.00 -0.00 0.00 0.00 39.34 40.05 2k5g n TYR 82 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 2k5g n ASP 83 N 1.04 0.42 -4.73 9.48 2.03 -0.79 -2.19 116.55 121.81 2k5g n ASP 83 Ca 0.23 -0.34 -0.27 0.00 0.52 0.00 0.00 54.79 54.93 2k5g n ASP 83 Cb 0.79 -0.08 -0.07 0.00 -0.72 0.00 0.00 41.12 41.05 2k5g n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5g s ARG 84 N -2.67 2.67 -0.57 -0.67 1.70 -1.26 -3.70 118.95 114.45 2k5g s ARG 84 Ca 0.23 -0.93 -0.26 0.00 -0.47 0.00 0.00 55.73 54.29 2k5g s ARG 84 Cb 0.19 -2.53 -0.08 0.00 -0.57 0.00 0.00 34.95 31.96 2k5g s ARG 84 CO 0.53 0.49 2.34 -1.25 -1.08 0.00 0.00 175.30 176.33 2k5g s PRO 85 N -2.86 2.07 -0.25 3.89 0.04 -1.26 -4.19 135.00 132.44 2k5g s PRO 85 Ca 0.29 1.11 -0.09 0.00 0.04 0.00 0.00 61.00 62.35 2k5g s PRO 85 Cb -0.10 -4.61 -0.04 0.00 0.04 0.00 0.00 34.50 29.79 2k5g s PRO 85 CO 0.21 -3.44 0.12 0.42 0.04 0.00 0.00 177.00 174.35 2k5g s ILE 86 N 12.29 4.82 -0.31 0.56 1.01 0.70 -4.98 121.20 135.29 2k5g s ILE 86 Ca 0.92 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 61.60 2k5g s ILE 86 Cb -0.15 -3.26 0.08 0.00 0.01 0.00 0.00 42.46 39.14 2k5g s ILE 86 CO 0.21 0.32 -0.01 0.54 0.00 0.00 0.00 174.94 176.01 2k5g s VAL 87 N 1.45 2.28 -0.10 2.92 0.11 -1.24 -1.17 120.40 124.65 2k5g s VAL 87 Ca 0.06 -2.03 0.04 0.00 -2.93 0.00 0.00 61.98 57.12 2k5g s VAL 87 Cb -0.15 -2.54 -0.00 0.00 -1.53 0.00 0.00 36.38 32.16 2k5g s VAL 87 CO 0.06 -0.36 -0.22 0.00 -3.33 0.00 0.00 175.10 171.25 2k5g s ALA 88 N 1.00 2.24 0.37 1.54 0.00 0.30 -4.86 121.76 122.35 2k5g s ALA 88 Ca 0.02 -0.97 -0.24 0.00 0.00 0.00 0.00 51.96 50.77 2k5g s ALA 88 Cb -0.20 -0.85 -0.10 0.00 0.00 0.00 0.00 23.12 21.97 2k5g s ALA 88 CO -0.07 0.31 1.00 -0.98 0.00 0.00 0.00 175.76 176.02 2k5g s ARG 89 N 0.26 4.34 -0.11 0.00 1.70 -1.25 0.00 118.95 123.89 2k5g s ARG 89 Ca -0.15 1.39 -0.09 0.00 -0.47 0.00 0.00 55.73 56.40 2k5g s ARG 89 Cb -0.17 -2.60 0.03 0.00 -0.57 0.00 0.00 34.95 31.64 2k5g s ARG 89 CO 0.08 0.04 0.29 -1.01 -1.08 0.00 0.00 175.30 173.61 2k5g s HIS 90 N -1.71 -0.33 -0.07 5.89 3.76 0.14 -4.33 115.29 118.65 2k5g s HIS 90 Ca 0.55 0.79 -0.23 0.00 -0.15 0.00 0.00 55.06 56.02 2k5g s HIS 90 Cb -0.19 0.11 -0.04 0.00 1.11 0.00 0.00 32.58 33.57 2k5g s HIS 90 CO 0.24 -0.17 0.67 0.99 -0.85 0.00 0.00 174.74 175.63 2k5g s THR 91 N 0.32 5.06 -0.04 1.30 2.01 -1.23 0.25 115.64 123.31 2k5g s THR 91 Ca -0.01 1.38 -0.25 0.00 0.31 0.00 0.00 61.69 63.12 2k5g s THR 91 Cb -0.03 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2k5g s THR 91 CO -0.01 0.26 0.77 -1.48 -0.69 0.00 0.00 174.62 173.47 2k5g s LEU 92 N 0.80 4.34 -0.07 4.42 2.34 -1.08 0.78 118.68 130.21 2k5g s LEU 92 Ca 0.36 1.32 -0.06 0.00 0.06 0.00 0.00 54.13 55.80 2k5g s LEU 92 Cb -0.17 -3.20 -0.02 0.00 -0.56 0.00 0.00 46.19 42.23 2k5g s LEU 92 CO 0.17 -0.14 -0.12 -0.11 -1.06 0.00 0.00 176.35 175.09 2k5g n LEU 93 N 3.73 0.78 -4.16 1.48 -0.00 -0.01 -2.66 117.00 116.15 2k5g n LEU 93 Ca 0.00 0.21 -0.26 0.00 -0.00 0.00 0.00 56.01 55.97 2k5g n LEU 93 Cb 0.51 -0.61 -0.16 0.00 -0.00 0.00 0.00 43.42 43.16 2k5g n LEU 93 CO 0.48 -0.43 -0.51 -0.60 -0.00 0.00 0.00 177.39 176.34 2k5g s ARG 94 N -1.70 1.61 -0.39 1.96 3.52 -0.65 -4.83 118.95 118.47 2k5g s ARG 94 Ca -0.10 -0.64 0.01 0.00 -0.13 0.00 0.00 55.73 54.87 2k5g s ARG 94 Cb 0.01 -1.49 0.14 0.00 -1.56 0.00 0.00 34.95 32.06 2k5g s ARG 94 CO 0.15 0.34 0.23 0.00 -0.81 0.00 0.00 175.30 175.22 2k5g s GLU 96 N 0.74 2.54 -0.00 0.00 2.02 -0.18 -5.04 118.70 118.78 2k5g s GLU 96 Ca 0.19 -2.74 -0.22 0.00 0.02 0.00 0.00 54.97 52.23 2k5g s GLU 96 Cb -0.20 -3.65 -0.05 0.00 0.10 0.00 0.00 34.13 30.32 2k5g s GLU 96 CO -0.02 -1.18 0.65 -1.25 0.02 0.00 0.00 175.26 173.48 2k5g s PRO 97 N -0.43 4.38 -0.45 0.39 0.04 -1.26 0.04 135.00 137.71 2k5g s PRO 97 Ca 0.19 0.84 -0.12 0.00 0.04 0.00 0.00 61.00 61.95 2k5g s PRO 97 Cb -0.18 -3.37 0.08 0.00 0.04 0.00 0.00 34.50 31.07 2k5g s PRO 97 CO -0.05 0.29 0.34 -1.25 0.04 0.00 0.00 177.00 176.37 2k5g s PRO 98 N 0.01 2.77 0.00 0.56 0.04 -1.26 -5.03 135.00 132.10 2k5g s PRO 98 Ca 0.34 -1.45 0.00 0.00 0.04 0.00 0.00 61.00 59.93 2k5g s PRO 98 Cb -0.19 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2k5g s PRO 98 CO 0.19 -1.02 0.00 -2.13 0.04 0.00 0.00 177.00 174.07 2k5g n ARG 99 N 5.05 0.00 -4.03 4.56 3.00 0.11 -4.81 116.66 120.53 2k5g n ARG 99 Ca -0.11 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.40 2k5g n ARG 99 Cb 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.74 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 -0.61 2.58 -0.23 5.15 1.01 -0.63 -0.87 120.40 126.80 2k5g s VAL 100 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2k5g s VAL 100 Cb 0.00 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.25 2k5g s VAL 100 CO 0.00 0.46 -0.08 -0.22 0.00 0.00 0.00 175.10 175.26 2k5g s LEU 101 N 1.35 2.97 -0.06 3.92 2.96 0.63 -1.01 118.68 129.44 2k5g s LEU 101 Ca 0.05 -0.73 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 2k5g s LEU 101 Cb -0.14 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.92 2k5g s LEU 101 CO -0.09 -0.08 -0.09 0.00 -1.32 0.00 0.00 176.35 174.77 2k5g s ALA 102 N 1.35 1.04 0.19 5.97 0.00 0.11 0.29 121.76 130.71 2k5g s ALA 102 Ca 0.02 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.70 2k5g s ALA 102 Cb -0.16 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 2k5g s ALA 102 CO -0.05 -0.00 0.05 -0.48 0.00 0.00 0.00 175.76 175.28 2k5g s LEU 103 N 0.90 1.80 0.04 0.00 2.34 -0.46 -0.83 118.68 122.46 2k5g s LEU 103 Ca -0.11 -1.26 0.03 0.00 0.06 0.00 0.00 54.13 52.85 2k5g s LEU 103 Cb -0.15 0.09 -0.04 0.00 -0.56 0.00 0.00 46.19 45.54 2k5g s LEU 103 CO 0.01 -0.68 0.01 0.42 -1.06 0.00 0.00 176.35 175.05 2k5g s THR 104 N -3.83 4.16 -1.09 5.48 -4.23 0.23 0.91 115.64 117.27 2k5g s THR 104 Ca 0.29 -0.75 -0.10 0.00 -1.18 0.00 0.00 61.69 59.95 2k5g s THR 104 Cb 0.07 -2.92 0.26 0.00 1.34 0.00 0.00 72.50 71.26 2k5g s THR 104 CO 0.07 0.26 1.11 0.86 -0.54 0.00 0.00 174.62 176.38 2k5g s TRP 105 N -1.20 4.15 -2.81 3.99 -0.00 0.20 -3.57 118.94 119.70 2k5g s TRP 105 Ca 0.23 -2.57 0.00 0.00 -0.00 0.00 0.00 56.10 53.76 2k5g s TRP 105 Cb -0.12 -3.88 0.00 0.00 -0.00 0.00 0.00 33.47 29.47 2k5g s TRP 105 CO 0.14 -1.00 0.00 0.41 -0.00 0.00 0.00 176.95 176.50 2k5g n GLY 106 N 2.97 0.72 0.00 5.86 0.00 -1.26 -2.47 105.19 111.01 2k5g n GLY 106 Ca 0.24 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.22 1.75 -0.02 0.00 -1.26 -3.93 105.19 101.51 2k5g n GLY 107 Ca 0.00 0.56 -0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -2.71 0.20 -0.02 0.00 -1.26 -5.01 105.19 96.39 2k5g n GLY 108 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2k5g n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g n ALA 109 N 0.03 1.39 -0.11 4.61 0.00 -1.26 -4.96 120.51 120.21 2k5g n ALA 109 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2k5g n ALA 109 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 0.94 3.55 0.00 0.00 -1.26 -5.06 105.19 103.36 2k5g n GLY 110 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2k5g n GLY 110 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5g s GLU 111 N -0.49 0.61 0.36 1.61 2.56 -1.26 -5.15 118.70 116.93 2k5g s GLU 111 Ca 0.00 -0.13 -0.26 0.00 0.00 0.00 0.00 54.97 54.57 2k5g s GLU 111 Cb 0.00 0.28 -0.09 0.00 2.00 0.00 0.00 34.13 36.32 2k5g s GLU 111 CO 0.00 -0.25 1.10 0.00 -0.56 0.00 0.00 175.26 175.55 2k5g s ALA 112 N -2.38 3.22 0.21 6.30 0.00 -1.26 -4.22 121.76 123.63 2k5g s ALA 112 Ca 0.05 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 2k5g s ALA 112 Cb -0.01 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 2k5g s ALA 112 CO -0.05 -0.27 1.28 -1.25 0.00 0.00 0.00 175.76 175.46 2k5g s PRO 113 N -2.08 4.41 0.49 0.00 0.04 -1.26 -4.93 135.00 131.68 2k5g s PRO 113 Ca 0.53 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 63.51 2k5g s PRO 113 Cb -0.28 -3.19 0.12 0.00 0.04 0.00 0.00 34.50 31.19 2k5g s PRO 113 CO 0.35 -0.20 0.53 0.43 0.04 0.00 0.00 177.00 178.15 2k5g n SER 114 N 2.42 -0.75 -4.03 6.66 7.64 -1.03 -4.72 113.62 119.81 2k5g n SER 114 Ca 0.05 -0.99 -0.16 0.00 1.01 0.00 0.00 58.87 58.78 2k5g n SER 114 Cb 0.43 -0.45 -0.13 0.00 -1.01 0.00 0.00 64.21 63.05 2k5g n SER 114 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2k5g s GLU 115 N -4.19 0.56 -0.16 1.43 2.12 -0.20 0.59 118.70 118.87 2k5g s GLU 115 Ca 0.32 -0.52 -0.00 0.00 0.36 0.00 0.00 54.97 55.13 2k5g s GLU 115 Cb -0.02 -0.46 0.04 0.00 0.26 0.00 0.00 34.13 33.94 2k5g s GLU 115 CO 0.24 0.11 -0.08 0.08 -0.54 0.00 0.00 175.26 175.07 2k5g s VAL 116 N -0.75 1.25 -0.25 3.70 1.01 0.26 0.48 120.40 126.09 2k5g s VAL 116 Ca -0.03 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 2k5g s VAL 116 Cb -0.06 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2k5g s VAL 116 CO 0.00 0.23 0.09 -0.76 0.00 0.00 0.00 175.10 174.66 2k5g s LEU 117 N 1.59 3.56 -0.29 3.92 2.01 0.12 -1.36 118.68 128.22 2k5g s LEU 117 Ca 0.02 -0.16 -0.10 0.00 0.01 0.00 0.00 54.13 53.90 2k5g s LEU 117 Cb -0.15 -1.96 -0.03 0.00 0.01 0.00 0.00 46.19 44.06 2k5g s LEU 117 CO -0.08 -0.02 0.17 -0.36 1.01 0.00 0.00 176.35 177.06 2k5g s PHE 118 N 1.57 3.18 -0.26 0.29 0.08 0.14 -0.17 117.98 122.81 2k5g s PHE 118 Ca 0.06 -0.18 0.03 0.00 0.12 0.00 0.00 56.93 56.96 2k5g s PHE 118 Cb -0.15 -2.36 0.06 0.00 -0.57 0.00 0.00 43.02 40.00 2k5g s PHE 118 CO 0.05 -0.29 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.56 2k5g s GLU 119 N 1.70 2.27 -0.16 0.44 2.02 -1.15 -0.27 118.70 123.54 2k5g s GLU 119 Ca 0.06 -1.33 -0.14 0.00 0.02 0.00 0.00 54.97 53.58 2k5g s GLU 119 Cb -0.16 -2.88 -0.05 0.00 0.10 0.00 0.00 34.13 31.14 2k5g s GLU 119 CO 0.08 -0.56 0.31 -0.51 0.02 0.00 0.00 175.26 174.60 2k5g s LEU 120 N 1.11 4.24 0.22 1.80 1.43 -0.05 -2.79 118.68 124.63 2k5g s LEU 120 Ca -0.09 0.52 0.11 0.00 -1.03 0.00 0.00 54.13 53.64 2k5g s LEU 120 Cb -0.20 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 2k5g s LEU 120 CO -0.05 0.08 -0.17 -0.44 0.23 0.00 0.00 176.35 175.99 2k5g s SER 121 N 0.54 3.79 -0.17 2.29 0.01 -0.84 -4.73 113.70 114.59 2k5g s SER 121 Ca 0.17 -0.81 -0.06 0.00 1.31 0.00 0.00 55.95 56.56 2k5g s SER 121 Cb -0.13 -0.44 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 2k5g s SER 121 CO 0.04 0.09 0.01 -1.83 0.41 0.00 0.00 173.24 171.96 2k5g s GLU 122 N -3.01 3.82 -0.07 12.44 -1.05 -1.26 -2.78 118.70 126.79 2k5g s GLU 122 Ca 0.25 -0.43 0.10 0.00 -0.15 0.00 0.00 54.97 54.74 2k5g s GLU 122 Cb -0.07 -3.07 0.18 0.00 -0.44 0.00 0.00 34.13 30.72 2k5g s GLU 122 CO 0.13 0.25 1.11 0.00 0.95 0.00 0.00 175.26 177.70 2k5g n ALA 123 N 3.57 2.19 0.00 -0.84 0.00 0.53 -4.96 120.51 120.99 2k5g n ALA 123 Ca -0.17 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 51.44 2k5g n ALA 123 Cb 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.87 2.06 0.07 0.00 0.00 -1.26 -3.76 105.19 101.43 2k5g n GLY 124 Ca 0.09 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2k5g n GLY 124 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k5g n GLU 125 N 0.00 0.64 -4.33 1.61 2.13 -1.26 -3.51 120.64 115.91 2k5g n GLU 125 Ca 0.00 -0.01 -0.17 0.00 0.66 0.00 0.00 57.16 57.64 2k5g n GLU 125 Cb 0.00 -1.66 -0.10 0.00 0.27 0.00 0.00 31.44 29.95 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 -3.26 1.35 -0.03 5.31 -0.21 -1.16 -2.41 119.66 119.26 2k5g s GLN 126 Ca -0.05 -1.69 0.02 0.00 0.02 0.00 0.00 55.36 53.65 2k5g s GLN 126 Cb 0.11 -0.58 0.01 0.00 1.00 0.00 0.00 33.01 33.55 2k5g s GLN 126 CO 0.85 -0.13 -0.07 0.14 -2.12 0.00 0.00 175.29 173.97 2k5g s VAL 127 N -3.46 0.64 -0.31 1.09 -7.23 0.14 -0.35 120.40 110.92 2k5g s VAL 127 Ca 0.30 -0.25 -0.12 0.00 -1.81 0.00 0.00 61.98 60.10 2k5g s VAL 127 Cb 0.06 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.37 2k5g s VAL 127 CO 0.09 0.22 0.23 0.00 -0.31 0.00 0.00 175.10 175.33 2k5g s ARG 128 N 0.45 3.73 -0.19 4.82 3.03 -1.12 -0.30 118.95 129.37 2k5g s ARG 128 Ca -0.06 -0.46 -0.06 0.00 2.03 0.00 0.00 55.73 57.18 2k5g s ARG 128 Cb -0.10 -3.73 -0.03 0.00 -1.03 0.00 0.00 34.95 30.05 2k5g s ARG 128 CO 0.00 -0.32 0.02 -1.17 -1.13 0.00 0.00 175.30 172.71 2k5g s LEU 129 N 1.76 3.46 -0.19 -1.89 0.20 0.20 -1.98 118.68 120.24 2k5g s LEU 129 Ca 0.07 -0.09 -0.02 0.00 0.69 0.00 0.00 54.13 54.78 2k5g s LEU 129 Cb -0.17 -1.87 -0.01 0.00 -0.43 0.00 0.00 46.19 43.71 2k5g s LEU 129 CO 0.11 0.11 -0.09 0.54 -0.29 0.00 0.00 176.35 176.73 2k5g s VAL 130 N 0.72 3.11 -0.52 1.68 0.11 -1.12 0.76 120.40 125.14 2k5g s VAL 130 Ca 0.01 -0.60 -0.23 0.00 -2.93 0.00 0.00 61.98 58.23 2k5g s VAL 130 Cb -0.14 -2.38 0.04 0.00 -1.53 0.00 0.00 36.38 32.37 2k5g s VAL 130 CO 0.02 0.47 0.87 -0.22 -3.33 0.00 0.00 175.10 172.90 2k5g s LEU 131 N 1.15 4.25 -0.73 2.54 0.20 0.87 -2.93 118.68 124.04 2k5g s LEU 131 Ca 0.01 -0.36 -0.06 0.00 0.69 0.00 0.00 54.13 54.41 2k5g s LEU 131 Cb -0.14 -2.82 0.19 0.00 -0.43 0.00 0.00 46.19 42.99 2k5g s LEU 131 CO -0.02 -1.11 0.59 -0.89 -0.29 0.00 0.00 176.35 174.63 2k5g s THR 132 N 3.62 4.43 -0.47 3.68 2.01 0.75 -1.53 115.64 128.15 2k5g s THR 132 Ca 0.28 -2.91 -0.23 0.00 0.31 0.00 0.00 61.69 59.15 2k5g s THR 132 Cb -0.13 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.60 2k5g s THR 132 CO 0.19 -0.95 0.79 -2.28 -0.69 0.00 0.00 174.62 171.68 2k5g s HIS 133 N -0.15 2.97 0.45 4.92 2.46 0.10 0.11 115.29 126.16 2k5g s HIS 133 Ca 0.19 0.10 0.02 0.00 0.47 0.00 0.00 55.06 55.83 2k5g s HIS 133 Cb -0.16 -3.70 0.02 0.00 -0.13 0.00 0.00 32.58 28.61 2k5g s HIS 133 CO -0.06 -1.03 0.13 0.25 -2.47 0.00 0.00 174.74 171.55 2k5g n THR 134 N 6.12 0.00 -2.14 0.89 -2.24 0.18 -3.00 114.28 114.08 2k5g n THR 134 Ca 0.02 -2.01 -0.16 0.00 -2.27 0.00 0.00 64.05 59.64 2k5g n THR 134 Cb 0.48 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.92 2k5g n THR 134 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2k5g n ARG 135 N -1.28 -1.22 -2.72 -0.78 0.63 -1.26 -1.03 116.66 109.00 2k5g n ARG 135 Ca -0.12 0.81 -0.40 0.00 -0.92 0.00 0.00 57.85 57.22 2k5g n ARG 135 Cb 0.55 -5.14 -0.06 0.00 0.45 0.00 0.00 32.46 28.26 2k5g n ARG 135 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2k5g s LEU 136 N -4.31 4.63 -0.12 6.15 1.43 -1.26 -4.15 118.68 121.04 2k5g s LEU 136 Ca 0.00 1.97 -0.28 0.00 -1.03 0.00 0.00 54.13 54.79 2k5g s LEU 136 Cb 0.00 -3.61 -0.25 0.00 0.03 0.00 0.00 46.19 42.36 2k5g s LEU 136 CO 0.00 0.12 0.83 0.00 0.23 0.00 0.00 176.35 177.53 2k5g h ALA 137 N 4.21 -0.00 -2.98 4.21 0.00 -1.93 -3.50 119.26 119.28 2k5g h ALA 137 Ca -0.45 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.02 2k5g h ALA 137 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k5g h ALA 137 CO 0.68 -0.04 0.27 0.34 0.00 0.00 0.00 179.25 180.51 2k5g s ASP 138 N -6.14 -0.07 0.47 0.00 2.15 -1.26 -5.00 116.67 106.82 2k5g s ASP 138 Ca -0.18 -0.97 0.13 0.00 0.43 0.00 0.00 52.55 51.95 2k5g s ASP 138 Cb -0.02 0.80 1.10 0.00 -0.30 0.00 0.00 42.92 44.50 2k5g s ASP 138 CO 0.68 -1.57 2.08 0.03 -0.17 0.00 0.00 175.17 176.22 2k5g h ARG 139 N 2.00 0.25 0.00 4.34 -0.00 -1.99 0.13 114.38 119.11 2k5g h ARG 139 Ca -0.28 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.98 59.15 2k5g h ARG 139 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 31.16 2k5g h ARG 139 CO 0.35 0.17 -0.17 0.00 0.00 0.00 0.00 179.97 180.32 2k5g h ALA 140 N 1.84 1.51 -0.11 0.04 0.00 -1.97 -1.42 119.26 119.15 2k5g h ALA 140 Ca 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k5g h ALA 140 Cb 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k5g h ALA 140 CO -0.02 0.21 -0.00 0.00 0.00 0.00 0.00 179.25 179.44 2k5g h ALA 141 N 1.83 0.15 -0.48 0.00 0.00 -1.13 0.39 119.26 120.01 2k5g h ALA 141 Ca -0.00 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.82 2k5g h ALA 141 Cb 0.35 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 2k5g h ALA 141 CO 0.02 -0.15 -0.12 0.52 0.00 0.00 0.00 179.25 179.52 2k5g h MET 142 N -0.08 0.00 0.00 0.00 2.86 -1.28 0.14 114.93 116.58 2k5g h MET 142 Ca 0.03 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2k5g h MET 142 Cb 0.37 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 2k5g h MET 142 CO 0.01 0.00 -0.13 -0.07 1.06 0.00 0.00 176.91 177.78 2k5g h LEU 143 N 0.00 0.00 0.03 1.22 3.38 -0.99 0.15 115.31 119.10 2k5g h LEU 143 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2k5g h LEU 143 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2k5g h LEU 143 CO -0.49 0.13 -0.01 -0.78 0.09 0.00 0.00 178.44 177.37 2k5g h ASP 144 N 0.00 -0.03 1.00 -0.43 3.58 0.24 -3.28 116.42 117.50 2k5g h ASP 144 Ca -0.00 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 56.87 2k5g h ASP 144 Cb 0.38 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2k5g h ASP 144 CO 0.02 0.58 -0.28 1.33 -2.88 0.00 0.00 179.24 178.01 2k5g n VAL 145 N -4.81 0.27 -0.18 2.25 0.24 -0.35 -3.54 118.33 112.21 2k5g n VAL 145 Ca -0.09 -0.16 0.18 0.00 -2.04 0.00 0.00 64.34 62.24 2k5g n VAL 145 Cb 0.30 -0.27 0.54 0.00 -1.47 0.00 0.00 33.84 32.94 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 2.72 2.24 0.00 2.33 0.00 -0.75 -2.63 119.26 123.18 2k5g h ALA 146 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2k5g h ALA 146 Cb 0.64 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.42 2k5g h ALA 146 CO 0.00 -0.47 2.77 0.41 0.00 0.00 0.00 179.25 181.96 2k5g n GLY 147 N -1.55 3.29 0.00 0.00 0.00 -1.23 -3.72 105.19 101.99 2k5g n GLY 147 Ca 0.16 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 4.03 1.87 0.05 -0.02 0.00 -1.22 -4.99 105.19 104.91 2k5g n GLY 148 Ca 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.35 2k5g n GLY 148 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2k5g h TRP 149 N 0.00 -0.14 -0.65 1.61 4.06 -1.55 -3.19 115.95 116.09 2k5g h TRP 149 Ca 0.00 0.00 0.14 0.00 2.06 0.00 0.00 58.89 61.09 2k5g h TRP 149 Cb 0.00 0.05 -0.10 0.00 -1.00 0.00 0.00 29.16 28.11 2k5g h TRP 149 CO 0.00 -0.07 0.09 1.12 -3.56 0.00 0.00 178.44 176.02 2k5g h HIS 150 N -0.11 0.13 -0.20 0.49 2.07 -1.83 -0.41 115.15 115.30 2k5g h HIS 150 Ca -0.01 0.04 0.01 0.00 -2.85 0.00 0.00 60.37 57.57 2k5g h HIS 150 Cb 0.09 0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.11 2k5g h HIS 150 CO -0.05 -0.10 0.13 0.00 -3.07 0.00 0.00 177.93 174.83 2k5g h ALA 151 N 1.56 1.91 0.00 6.11 0.00 -1.86 -1.32 119.26 125.66 2k5g h ALA 151 Ca 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2k5g h ALA 151 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k5g h ALA 151 CO -0.49 0.07 -0.03 1.12 0.00 0.00 0.00 179.25 179.92 2k5g h HIS 152 N 0.22 0.00 0.00 0.00 2.07 -1.05 -0.92 115.15 115.48 2k5g h HIS 152 Ca 0.08 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.56 2k5g h HIS 152 Cb 0.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.01 2k5g h HIS 152 CO -0.00 0.03 -0.18 -0.07 -3.07 0.00 0.00 177.93 174.64 2k5g h LEU 153 N 0.00 0.00 0.12 6.12 3.38 -1.33 -0.31 115.31 123.29 2k5g h LEU 153 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2k5g h LEU 153 Cb 0.30 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.07 2k5g h LEU 153 CO 0.00 0.18 -1.10 0.00 0.09 0.00 0.00 178.44 177.61 2k5g h ALA 154 N 1.82 -0.03 -0.73 1.53 0.00 -1.32 -3.13 119.26 117.40 2k5g h ALA 154 Ca -0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 2k5g h ALA 154 Cb 0.45 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2k5g h ALA 154 CO 0.02 0.58 0.40 0.28 0.00 0.00 0.00 179.25 180.53 2k5g h VAL 155 N 0.09 1.22 0.08 0.00 2.07 -1.40 -1.34 116.25 116.97 2k5g h VAL 155 Ca -0.17 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2k5g h VAL 155 Cb 1.81 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 2k5g h VAL 155 CO 0.21 0.25 -0.38 -0.07 0.02 0.00 0.00 177.57 177.60 2k5g h LEU 156 N 1.01 -1.12 -0.59 2.57 3.38 -1.13 0.12 115.31 119.55 2k5g h LEU 156 Ca 0.26 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.33 2k5g h LEU 156 Cb 0.04 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2k5g h LEU 156 CO -0.04 -0.45 0.25 0.00 0.09 0.00 0.00 178.44 178.29 2k5g h ALA 157 N -0.01 0.76 -0.33 1.53 0.00 -1.46 0.19 119.26 119.94 2k5g h ALA 157 Ca 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k5g h ALA 157 Cb 0.63 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k5g h ALA 157 CO -0.25 0.36 0.20 0.78 0.00 0.00 0.00 179.25 180.34 2k5g h GLY 158 N 0.81 0.47 0.54 0.00 0.00 -1.00 -0.34 103.07 103.54 2k5g h GLY 158 Ca 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k5g h GLY 158 CO -0.02 0.19 -0.01 1.70 0.00 0.00 0.00 176.54 178.40 2k5g h LYS 159 N 0.43 -0.02 -0.23 4.80 1.63 -0.52 -0.01 116.57 122.65 2k5g h LYS 159 Ca 0.12 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.89 2k5g h LYS 159 Cb -0.00 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2k5g h LYS 159 CO -0.02 0.43 0.02 -0.07 -3.45 0.00 0.00 179.45 176.36 2k5g h LEU 160 N -0.48 0.30 -0.00 5.20 3.38 -0.61 0.11 115.31 123.20 2k5g h LEU 160 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2k5g h LEU 160 Cb 0.46 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2k5g h LEU 160 CO 0.00 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.88 2k5g n ALA 161 N -2.49 2.29 -1.99 1.53 0.00 -0.14 -4.83 120.51 114.88 2k5g n ALA 161 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 2k5g n ALA 161 Cb 0.18 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 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 1.39 0.22 2.70 0.00 0.00 0.03 -5.03 105.19 104.50 2k5g n GLY 162 Ca 0.07 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 2k5g n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLN 163 N -1.75 0.94 -2.23 1.61 10.64 -0.05 -5.03 117.38 121.51 2k5g n GLN 163 Ca -0.07 -2.48 -0.38 0.00 -1.83 0.00 0.00 57.00 52.24 2k5g n GLN 163 Cb 0.51 0.32 -0.01 0.00 -0.86 0.00 0.00 30.24 30.19 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 -2.57 3.13 0.57 2.61 0.00 -1.26 -4.48 121.76 119.75 2k5g s ALA 164 Ca 0.19 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.99 2k5g s ALA 164 Cb -0.02 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2k5g s ALA 164 CO 0.12 -0.62 1.08 -1.25 0.00 0.00 0.00 175.76 175.10 2k5g s PRO 165 N -2.36 3.34 0.48 0.00 0.04 -1.26 -4.80 135.00 130.45 2k5g s PRO 165 Ca 0.58 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 2k5g s PRO 165 Cb -0.32 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 2k5g s PRO 165 CO 0.40 -0.82 0.77 -1.25 0.04 0.00 0.00 177.00 176.14 2k5g s PRO 166 N -3.64 3.38 -1.02 0.56 0.05 -1.26 -4.99 135.00 128.08 2k5g s PRO 166 Ca 0.68 0.05 -0.24 0.00 0.05 0.00 0.00 61.00 61.54 2k5g s PRO 166 Cb -0.19 -2.40 -0.05 0.00 0.05 0.00 0.00 34.50 31.91 2k5g s PRO 166 CO 0.31 -0.26 1.89 -2.14 0.05 0.00 0.00 177.00 176.85 2k5g s PRO 167 N -4.73 2.68 0.36 0.56 0.02 -1.26 -4.79 135.00 127.85 2k5g s PRO 167 Ca 0.48 -0.72 0.12 0.00 0.02 0.00 0.00 61.00 60.91 2k5g s PRO 167 Cb -0.10 -5.17 0.93 0.00 0.02 0.00 0.00 34.50 30.18 2k5g s PRO 167 CO 0.43 -3.43 1.80 0.35 -0.33 0.00 0.00 177.00 175.83 2k5g h PHE 168 N 10.50 0.81 -0.44 6.54 3.04 -1.94 -1.72 116.94 133.73 2k5g h PHE 168 Ca 0.16 0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.18 2k5g h PHE 168 Cb 0.98 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 39.20 2k5g h PHE 168 CO 1.23 0.17 0.19 2.35 -2.02 0.00 0.00 178.31 180.22 2k5g h TRP 169 N 0.57 0.34 0.08 0.41 7.01 -1.99 0.32 115.95 122.68 2k5g h TRP 169 Ca 0.55 0.02 -0.25 0.00 2.11 0.00 0.00 58.89 61.31 2k5g h TRP 169 Cb 1.12 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 28.10 2k5g h TRP 169 CO -0.00 0.15 -1.11 0.00 -2.79 0.00 0.00 178.44 174.68 2k5g h THR 170 N 0.38 1.45 -0.50 2.65 1.03 -1.74 -3.03 112.91 113.14 2k5g h THR 170 Ca 0.20 -2.77 -0.05 0.00 -0.01 0.00 0.00 66.41 63.77 2k5g h THR 170 Cb 0.15 2.71 -0.02 0.00 -1.07 0.00 0.00 68.15 69.92 2k5g h THR 170 CO -0.17 0.82 0.10 0.74 -0.01 0.00 0.00 175.52 176.99 2k5g h THR 171 N 0.14 1.22 0.40 0.00 2.02 -1.16 0.27 112.91 115.80 2k5g h THR 171 Ca -0.11 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 2k5g h THR 171 Cb 1.80 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 2k5g h THR 171 CO 0.19 0.30 -0.35 0.25 0.37 0.00 0.00 175.52 176.28 2k5g h LEU 172 N 0.74 -0.94 -0.08 2.58 5.85 -0.88 -1.13 115.31 121.46 2k5g h LEU 172 Ca 0.16 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2k5g h LEU 172 Cb 0.31 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2k5g h LEU 172 CO 0.00 -0.48 0.03 0.00 -0.34 0.00 0.00 178.44 177.66 2k5g h ALA 173 N -1.23 0.10 -0.11 1.25 0.00 -1.41 -0.19 119.26 117.68 2k5g h ALA 173 Ca -0.05 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2k5g h ALA 173 Cb 0.62 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2k5g h ALA 173 CO -0.02 -0.33 -0.02 0.37 0.00 0.00 0.00 179.25 179.26 2k5g h GLN 174 N -0.01 0.01 0.00 0.00 -0.00 -0.99 0.20 115.11 114.32 2k5g h GLN 174 Ca 0.03 -0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.57 2k5g h GLN 174 Cb 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.60 2k5g h GLN 174 CO -0.00 0.01 -0.51 0.00 0.00 0.00 0.00 178.83 178.33 2k5g h ALA 175 N 1.10 1.08 -0.56 3.38 0.00 -1.17 -0.91 119.26 122.19 2k5g h ALA 175 Ca 0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2k5g h ALA 175 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2k5g h ALA 175 CO -0.10 0.63 0.21 0.93 0.00 0.00 0.00 179.25 180.93 2k5g h GLU 176 N 0.00 0.84 -0.56 0.00 5.08 -0.36 0.06 114.58 119.64 2k5g h GLU 176 Ca -0.01 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2k5g h GLU 176 Cb 0.94 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2k5g h GLU 176 CO 0.07 0.74 0.31 1.96 -1.00 0.00 0.00 179.01 181.08 2k5g h GLN 177 N 0.77 0.77 -0.03 2.33 1.08 -0.07 0.22 115.11 120.18 2k5g h GLN 177 Ca 0.19 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2k5g h GLN 177 Cb 0.22 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2k5g h GLN 177 CO -0.01 0.56 0.01 0.22 -0.95 0.00 0.00 178.83 178.66 2k5g h ASP 178 N 0.78 0.04 -0.50 1.46 3.58 -0.60 -1.84 116.42 119.33 2k5g h ASP 178 Ca 0.20 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 2k5g h ASP 178 Cb 0.02 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2k5g h ASP 178 CO -0.03 0.22 0.14 1.88 -2.88 0.00 0.00 179.24 178.57 2k5g h TYR 179 N -0.14 0.82 0.00 0.28 -1.99 -0.54 -1.41 116.97 114.00 2k5g h TYR 179 Ca 0.01 -0.09 -0.05 0.00 2.00 0.00 0.00 58.73 60.60 2k5g h TYR 179 Cb 0.19 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 2k5g h TYR 179 CO -0.01 0.72 -0.25 0.93 -0.00 0.00 0.00 178.16 179.55 2k5g h GLU 180 N 0.68 0.00 0.00 4.88 4.39 -0.59 -3.36 114.58 120.59 2k5g h GLU 180 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2k5g h GLU 180 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2k5g h GLU 180 CO -0.00 0.25 0.00 1.04 -1.16 0.00 0.00 179.01 179.14 2k5g n GLN 181 N -4.15 0.00 -1.59 2.33 1.13 -0.69 -4.92 117.38 109.49 2k5g n GLN 181 Ca -0.02 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.86 2k5g n GLN 181 Cb 0.31 -0.35 -0.07 0.00 0.11 0.00 0.00 30.24 30.24 2k5g n GLN 181 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2k5g n ARG 182 N -0.73 -1.43 -3.98 -1.09 5.12 -0.55 -4.91 116.66 109.08 2k5g n ARG 182 Ca 0.00 1.03 -0.10 0.00 -1.93 0.00 0.00 57.85 56.85 2k5g n ARG 182 Cb 0.00 -5.38 -0.04 0.00 -1.16 0.00 0.00 32.46 25.88 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 -4.47 0.36 0.25 0.55 1.43 -1.26 -5.03 118.68 110.51 2k5g s LEU 183 Ca 0.00 -1.04 0.09 0.00 -1.03 0.00 0.00 54.13 52.15 2k5g s LEU 183 Cb 0.00 1.95 0.26 0.00 0.03 0.00 0.00 46.19 48.43 2k5g s LEU 183 CO 0.00 -1.27 1.56 -0.07 0.23 0.00 0.00 176.35 176.80 2k5g h LEU 184 N 2.17 0.05 -7.00 1.79 -0.00 -2.03 -3.46 115.31 106.83 2k5g h LEU 184 Ca -0.27 -0.03 0.13 0.00 -0.00 0.00 0.00 57.88 57.71 2k5g h LEU 184 Cb 1.25 -0.01 -0.25 0.00 -0.00 0.00 0.00 40.66 41.64 2k5g h LEU 184 CO 0.36 0.71 0.67 -1.83 -0.00 0.00 0.00 178.44 178.34 2k5g s GLU 185 N -3.51 0.39 -0.46 1.13 -1.05 -1.26 -5.12 118.70 108.82 2k5g s GLU 185 Ca -0.01 0.16 0.07 0.00 -0.15 0.00 0.00 54.97 55.04 2k5g s GLU 185 Cb 0.12 0.19 0.18 0.00 -0.44 0.00 0.00 34.13 34.18 2k5g s GLU 185 CO 0.78 -0.11 0.64 -1.58 0.95 0.00 0.00 175.26 175.94 2k5g s HIS 186 N -0.81 -1.42 -0.72 4.83 2.46 -1.26 -5.11 115.29 113.26 2k5g s HIS 186 Ca 0.03 -0.35 -0.18 0.00 0.47 0.00 0.00 55.06 55.03 2k5g s HIS 186 Cb -0.02 0.20 0.14 0.00 -0.13 0.00 0.00 32.58 32.77 2k5g s HIS 186 CO -0.03 -1.19 0.80 -1.01 -2.47 0.00 0.00 174.74 170.84 2k5g s HIS 187 N 1.27 3.22 -0.36 3.88 3.76 -1.26 -5.00 115.29 120.80 2k5g s HIS 187 Ca 0.23 -1.32 -0.10 0.00 -0.15 0.00 0.00 55.06 53.72 2k5g s HIS 187 Cb -0.03 -4.02 0.02 0.00 1.11 0.00 0.00 32.58 29.67 2k5g s HIS 187 CO -0.06 -1.25 0.19 -1.58 -0.85 0.00 0.00 174.74 171.18 2k5g s HIS 188 N 2.02 3.23 0.20 1.40 2.46 -1.26 -5.06 115.29 118.28 2k5g s HIS 188 Ca 0.17 -0.89 -0.00 0.00 0.47 0.00 0.00 55.06 54.81 2k5g s HIS 188 Cb -0.17 -2.41 -0.04 0.00 -0.13 0.00 0.00 32.58 29.82 2k5g s HIS 188 CO -0.01 -0.61 0.09 -3.38 -2.47 0.00 0.00 174.74 168.37 2k5g s HIS 189 N 1.56 1.19 -0.25 3.88 -3.43 -1.26 -5.14 115.29 111.85 2k5g s HIS 189 Ca 0.02 -1.27 -0.03 0.00 -0.80 0.00 0.00 55.06 52.98 2k5g s HIS 189 Cb -0.19 -0.64 0.10 0.00 -1.43 0.00 0.00 32.58 30.43 2k5g s HIS 189 CO 0.06 -0.50 0.20 -3.38 -2.00 0.00 0.00 174.74 169.12 2k5g s HIS 190 N -3.99 -0.12 0.00 0.38 -3.43 -1.26 -5.34 115.29 101.52 2k5g s HIS 190 Ca 0.34 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.36 2k5g s HIS 190 Cb 0.07 -0.57 0.00 0.00 -1.43 0.00 0.00 32.58 30.65 2k5g s HIS 190 CO 0.10 -0.74 0.09 0.72 -2.00 0.00 0.00 174.74 172.90