#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 1.99 0.41 1.12 2.01 -1.26 -4.92 115.64 114.99 2k5g s THR 2 Ca 0.00 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 2k5g s THR 2 Cb 0.00 -2.05 -0.10 0.00 0.01 0.00 0.00 72.50 70.35 2k5g s THR 2 CO 0.00 0.00 1.32 -1.20 -0.69 0.00 0.00 174.62 174.05 2k5g n SER 3 N -5.00 2.81 -4.73 3.53 7.64 -1.26 -4.32 113.62 112.29 2k5g n SER 3 Ca 0.02 1.14 -0.42 0.00 1.01 0.00 0.00 58.87 60.63 2k5g n SER 3 Cb 0.54 -1.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.19 2k5g n SER 3 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2k5g s PRO 4 N -2.17 4.26 0.45 1.43 0.02 -1.26 -0.32 135.00 137.41 2k5g s PRO 4 Ca 0.59 2.27 -0.22 0.00 0.02 0.00 0.00 61.00 63.66 2k5g s PRO 4 Cb -0.51 -3.16 -0.08 0.00 0.02 0.00 0.00 34.50 30.78 2k5g s PRO 4 CO 0.59 -0.49 1.08 0.45 -0.33 0.00 0.00 177.00 178.30 2k5g s SER 5 N 0.80 6.41 -0.78 2.53 0.15 -0.90 -4.86 113.70 117.04 2k5g s SER 5 Ca 0.64 2.07 -0.26 0.00 0.70 0.00 0.00 55.95 59.10 2k5g s SER 5 Cb -0.41 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.34 2k5g s SER 5 CO 0.36 -0.74 1.38 -0.44 1.20 0.00 0.00 173.24 175.01 2k5g s SER 6 N -1.68 6.10 -0.24 5.45 0.01 -1.26 -4.61 113.70 117.47 2k5g s SER 6 Ca 0.63 -0.55 -0.29 0.00 1.31 0.00 0.00 55.95 57.05 2k5g s SER 6 Cb -0.22 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.44 2k5g s SER 6 CO 0.26 -1.86 1.49 0.00 0.41 0.00 0.00 173.24 173.54 2k5g s ALA 7 N 6.05 3.33 -0.05 1.44 0.00 -1.26 -5.00 121.76 126.27 2k5g s ALA 7 Ca 0.41 0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.52 2k5g s ALA 7 Cb -0.07 -3.81 -0.05 0.00 0.00 0.00 0.00 23.12 19.19 2k5g s ALA 7 CO 0.11 -1.84 0.55 -0.59 0.00 0.00 0.00 175.76 173.98 2k5g s PHE 8 N 4.81 3.61 -0.58 0.00 -0.71 -1.26 -5.03 117.98 118.82 2k5g s PHE 8 Ca 0.65 1.08 -0.27 0.00 -1.04 0.00 0.00 56.93 57.35 2k5g s PHE 8 Cb -0.22 -2.58 0.03 0.00 -1.21 0.00 0.00 43.02 39.04 2k5g s PHE 8 CO 0.26 0.28 1.12 -1.25 -1.34 0.00 0.00 175.22 174.30 2k5g s PRO 9 N 0.13 3.44 0.82 1.99 0.05 -1.26 -4.84 135.00 135.33 2k5g s PRO 9 Ca 0.29 0.06 -0.10 0.00 0.05 0.00 0.00 61.00 61.30 2k5g s PRO 9 Cb -0.17 -4.04 0.18 0.00 0.05 0.00 0.00 34.50 30.52 2k5g s PRO 9 CO 0.14 -1.66 1.11 -0.40 0.05 0.00 0.00 177.00 176.25 2k5g n ASP 10 N 8.21 0.48 0.00 6.66 5.75 -1.26 -4.93 116.55 131.46 2k5g n ASP 10 Ca 0.06 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 2k5g n ASP 10 Cb 0.49 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 2k5g n ASP 10 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k5g n GLY 11 N -2.63 0.66 0.21 6.12 0.00 -1.26 -4.86 105.19 103.43 2k5g n GLY 11 Ca 0.15 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.48 2k5g n GLY 11 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2k5g h HIS 12 N 0.00 0.00 0.00 1.61 2.76 -2.02 -3.47 115.15 114.03 2k5g h HIS 12 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k5g h HIS 12 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2k5g h HIS 12 CO 0.00 0.27 0.00 0.41 -1.30 0.00 0.00 177.93 177.31 2k5g n GLY 13 N -0.02 0.74 3.57 5.26 0.00 -1.26 -5.03 105.19 108.44 2k5g n GLY 13 Ca -0.01 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 2k5g n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g s ALA 14 N -1.25 2.57 -1.64 4.61 0.00 -1.26 -4.79 121.76 120.01 2k5g s ALA 14 Ca 0.00 -0.51 0.18 0.00 0.00 0.00 0.00 51.96 51.63 2k5g s ALA 14 Cb 0.00 -4.17 -0.01 0.00 0.00 0.00 0.00 23.12 18.95 2k5g s ALA 14 CO 0.00 -3.25 0.92 2.89 0.00 0.00 0.00 175.76 176.32 2k5g n ARG 15 N 8.84 1.55 0.00 0.00 1.85 -1.26 -4.95 116.66 122.68 2k5g n ARG 15 Ca 0.17 -0.87 0.00 0.00 -1.00 0.00 0.00 57.85 56.15 2k5g n ARG 15 Cb 0.50 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 30.57 2k5g n ARG 15 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2k5g n LEU 16 N -0.09 0.00 -4.56 2.89 4.77 -1.26 -5.02 117.00 113.73 2k5g n LEU 16 Ca 0.07 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.61 2k5g n LEU 16 Cb 0.38 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 2k5g n LEU 16 CO 0.22 0.00 1.86 -0.67 -1.33 0.00 0.00 177.39 177.48 2k5g n ASP 17 N 0.00 2.92 -1.10 -1.43 2.03 -1.26 -4.82 116.55 112.89 2k5g n ASP 17 Ca 0.00 0.18 -0.02 0.00 0.52 0.00 0.00 54.79 55.47 2k5g n ASP 17 Cb 0.00 -1.49 0.14 0.00 -0.72 0.00 0.00 41.12 39.05 2k5g n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5g n ALA 18 N 11.70 3.86 1.50 -1.67 0.00 -1.26 -4.70 120.51 129.95 2k5g n ALA 18 Ca 0.33 -3.33 0.13 0.00 0.00 0.00 0.00 53.44 50.57 2k5g n ALA 18 Cb 0.41 -0.39 0.74 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.87 0.67 -3.85 0.00 6.02 -1.26 -4.70 117.38 113.40 2k5g n GLN 19 Ca 0.24 0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 57.14 2k5g n GLN 19 Cb 0.80 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.48 2k5g n GLN 19 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2k5g s SER 20 N -2.19 0.02 -0.09 1.08 0.01 -1.26 -3.92 113.70 107.35 2k5g s SER 20 Ca 0.34 -0.33 -0.03 0.00 1.31 0.00 0.00 55.95 57.24 2k5g s SER 20 Cb 0.18 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 2k5g s SER 20 CO 0.33 -0.52 0.05 -0.51 0.41 0.00 0.00 173.24 173.00 2k5g s ILE 21 N -2.34 4.72 -0.02 1.44 2.07 -1.10 -4.94 121.20 121.03 2k5g s ILE 21 Ca -0.07 -0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.09 2k5g s ILE 21 Cb -0.02 -3.02 -0.00 0.00 0.13 0.00 0.00 42.46 39.55 2k5g s ILE 21 CO -0.03 0.60 -0.09 -0.13 -1.91 0.00 0.00 174.94 173.38 2k5g s ARG 22 N -0.98 0.87 0.01 3.50 3.00 -1.24 -1.56 118.95 122.55 2k5g s ARG 22 Ca 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 55.73 55.49 2k5g s ARG 22 Cb -0.12 -0.82 -0.00 0.00 0.00 0.00 0.00 34.95 34.01 2k5g s ARG 22 CO 0.03 0.16 0.10 -0.59 0.00 0.00 0.00 175.30 175.01 2k5g s PHE 23 N -0.03 0.11 -0.22 -0.53 -0.71 -1.12 -4.92 117.98 110.56 2k5g s PHE 23 Ca 0.01 -0.28 0.01 0.00 -1.04 0.00 0.00 56.93 55.63 2k5g s PHE 23 Cb -0.06 -0.09 0.05 0.00 -1.21 0.00 0.00 43.02 41.71 2k5g s PHE 23 CO 0.00 -0.29 -0.10 -1.21 -1.34 0.00 0.00 175.22 172.29 2k5g s GLU 24 N -1.65 2.02 -0.03 1.99 8.01 -1.26 -1.30 118.70 126.47 2k5g s GLU 24 Ca -0.13 -0.99 0.03 0.00 0.01 0.00 0.00 54.97 53.89 2k5g s GLU 24 Cb -0.07 -2.57 -0.03 0.00 -4.31 0.00 0.00 34.13 27.15 2k5g s GLU 24 CO -0.00 -0.49 -0.12 0.50 0.01 0.00 0.00 175.26 175.16 2k5g s ARG 25 N 1.32 2.51 -0.19 1.61 3.00 0.45 -4.98 118.95 122.68 2k5g s ARG 25 Ca -0.04 -0.70 -0.12 0.00 -1.00 0.00 0.00 55.73 53.87 2k5g s ARG 25 Cb -0.18 -2.42 -0.05 0.00 0.00 0.00 0.00 34.95 32.31 2k5g s ARG 25 CO -0.07 0.62 0.22 -1.17 0.00 0.00 0.00 175.30 174.90 2k5g s LEU 26 N -0.95 4.20 0.20 -0.88 1.98 -1.26 -0.77 118.68 121.20 2k5g s LEU 26 Ca 0.13 0.34 0.10 0.00 -2.89 0.00 0.00 54.13 51.82 2k5g s LEU 26 Cb -0.11 -2.24 -0.04 0.00 0.66 0.00 0.00 46.19 44.46 2k5g s LEU 26 CO 0.02 0.11 -0.21 -0.76 -1.89 0.00 0.00 176.35 173.62 2k5g s LEU 27 N 0.58 2.47 0.23 -0.68 2.01 0.68 -4.97 118.68 119.00 2k5g s LEU 27 Ca 0.12 -0.90 -0.17 0.00 0.01 0.00 0.00 54.13 53.19 2k5g s LEU 27 Cb -0.12 -1.02 -0.08 0.00 0.01 0.00 0.00 46.19 44.98 2k5g s LEU 27 CO 0.02 0.04 0.69 -2.16 1.01 0.00 0.00 176.35 175.95 2k5g s PRO 28 N -2.90 4.13 0.00 1.29 0.04 -1.26 -0.15 135.00 136.15 2k5g s PRO 28 Ca 0.21 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.98 2k5g s PRO 28 Cb -0.06 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2k5g s PRO 28 CO 0.10 0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.90 2k5g n GLY 29 N 0.48 3.32 0.14 0.56 0.00 -0.93 -4.58 105.19 104.17 2k5g n GLY 29 Ca -0.02 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.25 0.00 1.61 0.13 -1.85 -3.24 132.00 128.41 2k5g h PRO 30 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2k5g h PRO 30 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2k5g h PRO 30 CO 0.00 -0.16 0.00 1.51 -0.23 0.00 0.00 178.00 179.12 2k5g n ILE 31 N -5.21 0.00 -0.27 -3.56 3.06 -1.26 -4.24 119.36 107.87 2k5g n ILE 31 Ca -0.08 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.12 2k5g n ILE 31 Cb 0.14 0.00 0.06 0.00 0.54 0.00 0.00 39.64 40.38 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 1.00 -0.96 9.51 5.08 -1.95 -0.89 114.58 126.37 2k5g h GLU 32 Ca 0.00 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2k5g h GLU 32 Cb 0.00 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 28.98 2k5g h GLU 32 CO 0.00 0.68 0.63 -0.09 -1.00 0.00 0.00 179.01 179.23 2k5g h ARG 33 N 1.01 1.20 0.06 2.33 2.43 -1.92 0.27 114.38 119.76 2k5g h ARG 33 Ca 0.27 -0.07 -0.24 0.00 -0.81 0.00 0.00 59.98 59.13 2k5g h ARG 33 Cb -0.07 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.20 2k5g h ARG 33 CO -0.05 0.80 -1.07 0.28 -1.51 0.00 0.00 179.97 178.41 2k5g h VAL 34 N 1.24 1.52 -0.41 0.20 2.07 -1.73 -3.01 116.25 116.13 2k5g h VAL 34 Ca 0.37 -2.92 -0.08 0.00 0.82 0.00 0.00 66.70 64.89 2k5g h VAL 34 Cb -0.05 2.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 2k5g h VAL 34 CO -0.11 0.85 -0.06 -0.25 0.02 0.00 0.00 177.57 178.02 2k5g h TRP 35 N 0.09 0.74 -0.72 1.57 2.91 -0.67 -3.30 115.95 116.57 2k5g h TRP 35 Ca -0.09 -0.11 0.16 0.00 1.13 0.00 0.00 58.89 59.98 2k5g h TRP 35 Cb 1.77 -0.20 -0.12 0.00 -0.51 0.00 0.00 29.16 30.10 2k5g h TRP 35 CO 0.05 0.74 0.06 0.00 -1.03 0.00 0.00 178.44 178.25 2k5g h ALA 36 N 1.29 0.81 0.00 2.65 0.00 -0.34 0.38 119.26 124.05 2k5g h ALA 36 Ca 0.12 0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2k5g h ALA 36 Cb 0.49 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2k5g h ALA 36 CO 0.03 -0.40 -0.36 0.11 0.00 0.00 0.00 179.25 178.63 2k5g h TRP 37 N 0.15 0.00 -0.22 0.00 5.08 -1.68 0.87 115.95 120.16 2k5g h TRP 37 Ca 0.40 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.28 2k5g h TRP 37 Cb 0.69 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.84 2k5g h TRP 37 CO -0.36 0.36 -0.24 -0.07 -1.28 0.00 0.00 178.44 176.85 2k5g h LEU 38 N 0.00 0.40 0.03 0.11 3.38 -0.44 -3.32 115.31 115.48 2k5g h LEU 38 Ca -0.00 -0.13 -0.38 0.00 0.09 0.00 0.00 57.88 57.46 2k5g h LEU 38 Cb 1.04 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2k5g h LEU 38 CO 0.05 0.65 -2.23 0.00 0.09 0.00 0.00 178.44 177.00 2k5g n ALA 39 N -2.48 1.17 -2.14 1.53 0.00 -0.12 -4.55 120.51 113.92 2k5g n ALA 39 Ca -0.00 -0.90 -0.41 0.00 0.00 0.00 0.00 53.44 52.12 2k5g n ALA 39 Cb 0.38 -0.25 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 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 -6.90 7.40 0.30 0.00 2.15 0.30 -2.67 116.67 117.25 2k5g s ASP 40 Ca -0.32 1.94 0.17 0.00 0.43 0.00 0.00 52.55 54.77 2k5g s ASP 40 Cb 0.09 -2.60 0.11 0.00 -0.30 0.00 0.00 42.92 40.22 2k5g s ASP 40 CO 0.62 -0.12 1.43 0.00 -0.17 0.00 0.00 175.17 176.93 2k5g h ALA 41 N 5.27 0.74 -0.11 3.66 0.00 -1.85 -2.34 119.26 124.63 2k5g h ALA 41 Ca -0.44 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 2k5g h ALA 41 Cb 1.21 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k5g h ALA 41 CO 0.72 0.49 0.05 0.22 0.00 0.00 0.00 179.25 180.73 2k5g h ASP 42 N 0.00 0.14 0.52 0.00 3.58 -1.94 -0.45 116.42 118.28 2k5g h ASP 42 Ca -0.01 -0.15 -0.17 0.00 0.42 0.00 0.00 57.03 57.12 2k5g h ASP 42 Cb 1.30 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 2k5g h ASP 42 CO 0.05 0.25 -0.76 0.11 -2.88 0.00 0.00 179.24 176.01 2k5g h LYS 43 N 0.03 0.19 -0.45 0.28 1.57 -1.89 -3.27 116.57 113.03 2k5g h LYS 43 Ca 0.04 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2k5g h LYS 43 Cb 0.15 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2k5g h LYS 43 CO -0.00 0.86 0.17 -0.09 -0.57 0.00 0.00 179.45 179.81 2k5g h ARG 44 N 0.12 0.64 0.00 3.15 2.43 -0.95 0.24 114.38 120.01 2k5g h ARG 44 Ca -0.03 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2k5g h ARG 44 Cb 1.34 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2k5g h ARG 44 CO 0.11 0.54 0.00 0.00 -1.51 0.00 0.00 179.97 179.12 2k5g n ALA 45 N -2.47 2.08 0.11 2.80 0.00 -0.22 0.06 120.51 122.88 2k5g n ALA 45 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.38 2k5g n ALA 45 Cb 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.47 0.00 0.00 1.74 0.80 -3.79 116.66 115.77 2k5g n ARG 46 Ca 0.11 -0.46 0.00 0.00 -0.77 0.00 0.00 57.85 56.73 2k5g n ARG 46 Cb 0.09 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 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 -0.22 0.00 0.00 -1.55 4.27 -0.90 -4.86 117.44 114.19 2k5g n TRP 47 Ca 0.01 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.62 2k5g n TRP 47 Cb 0.06 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.01 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 -0.54 0.00 -3.67 5.67 -0.00 0.11 -4.79 117.00 113.77 2k5g n LEU 48 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 2k5g n LEU 48 Cb 0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 43.42 43.46 2k5g n LEU 48 CO 0.00 -0.09 0.76 0.00 -0.00 0.00 0.00 177.39 178.06 2k5g s ALA 49 N -1.43 -1.78 0.39 1.96 0.00 0.65 -4.83 121.76 116.72 2k5g s ALA 49 Ca 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 51.96 52.20 2k5g s ALA 49 Cb 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 23.12 23.55 2k5g s ALA 49 CO 0.00 -0.94 0.99 0.20 0.00 0.00 0.00 175.76 176.01 2k5g s GLY 50 N -2.80 2.63 0.00 0.00 0.00 -1.25 -2.85 107.32 103.06 2k5g s GLY 50 Ca 0.11 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.38 2k5g s GLY 50 CO -0.02 0.93 0.00 0.61 0.00 0.00 0.00 173.10 174.63 2k5g n GLY 51 N 0.06 3.02 3.96 0.20 0.00 -1.26 -3.13 105.19 108.03 2k5g n GLY 51 Ca 0.05 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.96 1.58 0.19 1.61 -1.05 -1.26 -4.68 118.70 111.12 2k5g s GLU 52 Ca 0.00 -0.68 -0.18 0.00 -0.15 0.00 0.00 54.97 53.96 2k5g s GLU 52 Cb 0.00 -2.16 -0.08 0.00 -0.44 0.00 0.00 34.13 31.45 2k5g s GLU 52 CO 0.00 -1.62 0.66 -0.51 0.95 0.00 0.00 175.26 174.75 2k5g s LEU 53 N -5.35 4.36 0.46 1.83 1.43 -1.09 -4.87 118.68 115.44 2k5g s LEU 53 Ca 0.66 1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 54.88 2k5g s LEU 53 Cb -0.07 -3.44 -0.10 0.00 0.03 0.00 0.00 46.19 42.62 2k5g s LEU 53 CO 0.46 0.07 0.99 -2.84 0.23 0.00 0.00 176.35 175.27 2k5g s PRO 54 N -1.89 4.03 0.32 1.29 0.02 -1.26 -4.98 135.00 132.53 2k5g s PRO 54 Ca 0.40 1.21 0.23 0.00 0.02 0.00 0.00 61.00 62.86 2k5g s PRO 54 Cb -0.17 -2.14 0.22 0.00 0.02 0.00 0.00 34.50 32.43 2k5g s PRO 54 CO 0.20 -0.22 1.36 0.00 -0.33 0.00 0.00 177.00 178.02 2k5g h ARG 55 N 1.68 0.00 -6.58 5.54 3.08 -2.01 -3.45 114.38 112.65 2k5g h ARG 55 Ca -0.49 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.04 2k5g h ARG 55 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 2k5g h ARG 55 CO 0.60 0.00 0.17 -0.65 -1.07 0.00 0.00 179.97 179.03 2k5g s GLN 56 N -3.27 4.47 -0.14 0.04 -0.21 -1.26 -5.05 119.66 114.24 2k5g s GLN 56 Ca 0.04 1.08 -0.22 0.00 0.02 0.00 0.00 55.36 56.29 2k5g s GLN 56 Cb 0.08 -3.09 -0.03 0.00 1.00 0.00 0.00 33.01 30.97 2k5g s GLN 56 CO 0.72 0.48 0.65 -1.25 -2.12 0.00 0.00 175.29 173.77 2k5g s PRO 57 N -1.51 4.32 0.00 2.91 0.04 -1.26 -3.84 135.00 135.66 2k5g s PRO 57 Ca 0.40 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2k5g s PRO 57 Cb -0.21 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.83 2k5g s PRO 57 CO 0.24 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.62 2k5g n GLY 58 N 3.44 0.81 3.96 0.56 0.00 -0.48 -5.06 105.19 108.42 2k5g n GLY 58 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.73 2.04 -0.09 1.61 1.11 -1.25 -4.80 119.66 117.55 2k5g s GLN 59 Ca 0.00 -0.69 0.02 0.00 0.01 0.00 0.00 55.36 54.70 2k5g s GLN 59 Cb 0.00 -2.30 -0.02 0.00 -1.01 0.00 0.00 33.01 29.69 2k5g s GLN 59 CO 0.00 -1.22 -0.16 0.95 0.01 0.00 0.00 175.29 174.88 2k5g s THR 60 N -3.11 2.87 0.09 -0.19 -4.23 -1.26 -1.30 115.64 108.51 2k5g s THR 60 Ca 0.62 -0.76 0.10 0.00 -1.18 0.00 0.00 61.69 60.47 2k5g s THR 60 Cb -0.08 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 2k5g s THR 60 CO 0.43 0.56 -0.26 0.72 -0.54 0.00 0.00 174.62 175.53 2k5g s PHE 61 N -0.09 2.34 -0.18 3.99 -0.71 -0.40 -4.86 117.98 118.07 2k5g s PHE 61 Ca -0.03 -0.38 -0.05 0.00 -1.04 0.00 0.00 56.93 55.43 2k5g s PHE 61 Cb -0.14 -1.33 -0.03 0.00 -1.21 0.00 0.00 43.02 40.32 2k5g s PHE 61 CO 0.04 0.25 -0.00 -1.83 -1.34 0.00 0.00 175.22 172.34 2k5g s GLU 62 N -1.69 3.69 0.42 1.99 -1.05 -1.26 -0.54 118.70 120.26 2k5g s GLU 62 Ca 0.13 -0.49 0.08 0.00 -0.15 0.00 0.00 54.97 54.54 2k5g s GLU 62 Cb -0.10 -3.05 -0.02 0.00 -0.44 0.00 0.00 34.13 30.53 2k5g s GLU 62 CO 0.05 0.13 0.40 -0.51 0.95 0.00 0.00 175.26 176.28 2k5g s LEU 63 N 0.68 3.40 -0.18 1.83 1.43 -1.07 -4.67 118.68 120.11 2k5g s LEU 63 Ca -0.00 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.33 2k5g s LEU 63 Cb -0.14 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 44.08 2k5g s LEU 63 CO 0.02 -0.68 0.21 -1.38 0.23 0.00 0.00 176.35 174.75 2k5g s HIS 64 N -2.47 -0.26 -0.34 0.29 -3.43 -1.18 -2.04 115.29 105.86 2k5g s HIS 64 Ca 0.49 0.34 -0.17 0.00 -0.80 0.00 0.00 55.06 54.92 2k5g s HIS 64 Cb -0.04 -0.32 -0.01 0.00 -1.43 0.00 0.00 32.58 30.78 2k5g s HIS 64 CO 0.28 -0.53 0.46 -0.06 -2.00 0.00 0.00 174.74 172.90 2k5g s PHE 65 N 2.33 3.20 0.15 0.38 0.08 0.47 -3.76 117.98 120.83 2k5g s PHE 65 Ca 0.06 0.16 -0.15 0.00 0.12 0.00 0.00 56.93 57.12 2k5g s PHE 65 Cb -0.15 -2.81 0.02 0.00 -0.57 0.00 0.00 43.02 39.51 2k5g s PHE 65 CO -0.11 -0.47 0.40 0.54 -0.10 0.00 0.00 175.22 175.48 2k5g s ASN 66 N 1.73 -0.16 -1.27 1.36 4.22 -1.26 0.00 114.94 119.56 2k5g s ASN 66 Ca 0.16 -0.50 -0.09 0.00 -2.14 0.00 0.00 52.86 50.29 2k5g s ASN 66 Cb -0.16 0.49 -0.07 0.00 1.28 0.00 0.00 41.25 42.79 2k5g s ASN 66 CO 0.12 -0.92 2.49 1.57 -2.04 0.00 0.00 177.10 178.32 2k5g n HIS 67 N -0.25 2.05 -1.96 1.54 -0.00 -1.26 -2.22 115.22 113.13 2k5g n HIS 67 Ca -0.12 -2.54 0.00 0.00 -0.00 0.00 0.00 57.72 55.06 2k5g n HIS 67 Cb 0.63 -2.11 0.00 0.00 -0.00 0.00 0.00 29.99 28.51 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2k5g n ALA 68 N 4.31 1.05 -3.40 1.57 0.00 -1.26 -5.07 120.51 117.70 2k5g n ALA 68 Ca 0.61 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.93 2k5g n ALA 68 Cb 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.57 2k5g n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5g s ALA 69 N 0.00 -0.89 0.00 0.00 0.00 -0.94 -5.07 121.76 114.86 2k5g s ALA 69 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2k5g s ALA 69 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2k5g s ALA 69 CO 0.00 -1.21 0.00 1.28 0.00 0.00 0.00 175.76 175.83 2k5g n LEU 70 N 5.35 0.00 -3.46 0.00 7.99 -1.25 -4.65 117.00 120.98 2k5g n LEU 70 Ca -0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.84 2k5g n LEU 70 Cb 0.50 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.78 2k5g n LEU 70 CO 0.06 -0.91 0.51 0.28 -1.51 0.00 0.00 177.39 175.81 2k5g s THR 71 N 0.00 0.00 -1.21 -5.08 -1.32 -1.26 -4.93 115.64 101.83 2k5g s THR 71 Ca 0.00 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.60 2k5g s THR 71 Cb 0.00 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.21 2k5g s THR 71 CO 0.00 0.00 1.10 0.00 -2.21 0.00 0.00 174.62 173.51 2k5g n ALA 72 N -0.12 2.32 -0.85 11.08 0.00 -1.26 -4.88 120.51 126.80 2k5g n ALA 72 Ca -0.15 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2k5g n ALA 72 Cb 0.63 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2k5g n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k5g n GLU 73 N 0.62 0.00 -1.67 0.00 1.02 -1.26 -4.60 120.64 114.75 2k5g n GLU 73 Ca 0.10 0.00 -0.54 0.00 -0.02 0.00 0.00 57.16 56.70 2k5g n GLU 73 Cb 0.38 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.73 2k5g n GLU 73 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2k5g n THR 74 N -0.35 0.26 -3.54 2.62 -1.04 -1.26 -4.93 114.28 106.03 2k5g n THR 74 Ca 0.00 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 2k5g n THR 74 Cb 0.00 -1.25 -0.12 0.00 -1.82 0.00 0.00 70.33 67.14 2k5g n THR 74 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k5g s ALA 75 N 2.71 1.42 -0.78 2.41 0.00 -1.26 -5.01 121.76 121.25 2k5g s ALA 75 Ca 0.93 -2.19 -0.21 0.00 0.00 0.00 0.00 51.96 50.49 2k5g s ALA 75 Cb -0.96 -1.70 -0.15 0.00 0.00 0.00 0.00 23.12 20.31 2k5g s ALA 75 CO 0.57 -2.08 1.93 -2.30 0.00 0.00 0.00 175.76 173.88 2k5g n PRO 76 N 3.72 1.53 0.00 0.00 -0.02 -1.26 -4.25 135.00 134.72 2k5g n PRO 76 Ca 0.13 -1.81 0.00 0.00 -2.02 0.00 0.00 63.50 59.79 2k5g n PRO 76 Cb 0.37 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 2k5g n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k5g n ALA 77 N 7.26 0.00 -0.05 3.55 0.00 -1.26 -4.36 120.51 125.66 2k5g n ALA 77 Ca 0.49 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.99 2k5g n ALA 77 Cb 0.39 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.26 2k5g n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5g h ARG 78 N 0.00 0.55 -0.21 0.00 3.08 -2.02 -1.19 114.38 114.59 2k5g h ARG 78 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2k5g h ARG 78 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2k5g h ARG 78 CO 0.00 0.36 0.00 0.66 -1.07 0.00 0.00 179.97 179.92 2k5g n TYR 79 N -4.47 0.26 1.21 3.04 4.02 -1.26 -4.07 117.16 115.89 2k5g n TYR 79 Ca 0.06 -0.17 0.13 0.00 -0.01 0.00 0.00 57.90 57.90 2k5g n TYR 79 Cb 0.14 -0.00 0.34 0.00 -0.02 0.00 0.00 39.34 39.79 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k5g n ALA 80 N 1.07 3.14 0.32 -0.72 0.00 -0.46 -3.74 120.51 120.12 2k5g n ALA 80 Ca 0.13 -0.43 0.15 0.00 0.00 0.00 0.00 53.44 53.30 2k5g n ALA 80 Cb 0.48 -1.10 0.58 0.00 0.00 0.00 0.00 19.45 19.42 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 1.29 0.00 -0.51 0.00 3.07 -1.69 -1.83 115.11 115.43 2k5g h GLN 81 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2k5g h GLN 81 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.09 2k5g h GLN 81 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 2k5g n TYR 82 N -2.83 0.68 0.67 0.06 4.01 -1.25 -4.19 117.16 114.30 2k5g n TYR 82 Ca 0.01 -0.38 0.12 0.00 -0.16 0.00 0.00 57.90 57.50 2k5g n TYR 82 Cb 0.31 -0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.57 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 1.41 2.97 -4.83 7.72 2.03 -0.69 -4.95 116.55 120.21 2k5g n ASP 83 Ca 0.20 -1.92 -0.33 0.00 0.52 0.00 0.00 54.79 53.25 2k5g n ASP 83 Cb 0.58 -0.16 -0.07 0.00 -0.72 0.00 0.00 41.12 40.75 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 -1.67 4.18 -0.38 -0.67 1.70 -1.25 -4.22 118.95 116.64 2k5g s ARG 84 Ca 0.35 0.97 -0.29 0.00 -0.47 0.00 0.00 55.73 56.29 2k5g s ARG 84 Cb 0.21 -2.36 0.00 0.00 -0.57 0.00 0.00 34.95 32.23 2k5g s ARG 84 CO 0.30 0.08 1.52 -1.25 -1.08 0.00 0.00 175.30 174.88 2k5g s PRO 85 N -2.95 3.53 -0.21 3.89 0.04 -1.24 -4.50 135.00 133.56 2k5g s PRO 85 Ca 0.57 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 2k5g s PRO 85 Cb -0.11 -4.07 0.01 0.00 0.04 0.00 0.00 34.50 30.38 2k5g s PRO 85 CO 0.16 -1.61 -0.12 0.42 0.04 0.00 0.00 177.00 175.88 2k5g s ILE 86 N 5.76 2.65 -0.37 0.56 1.01 0.10 -4.94 121.20 125.98 2k5g s ILE 86 Ca 0.66 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 2k5g s ILE 86 Cb -0.16 -2.21 0.04 0.00 0.01 0.00 0.00 42.46 40.14 2k5g s ILE 86 CO 0.32 0.42 0.17 -0.69 0.00 0.00 0.00 174.94 175.17 2k5g s VAL 87 N 1.36 4.15 -0.10 2.92 1.01 -1.26 -0.39 120.40 128.08 2k5g s VAL 87 Ca 0.04 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 2k5g s VAL 87 Cb -0.14 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.89 2k5g s VAL 87 CO -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 175.10 174.75 2k5g s ALA 88 N 1.46 0.91 0.42 5.51 0.00 -0.86 -4.96 121.76 124.23 2k5g s ALA 88 Ca 0.01 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.48 2k5g s ALA 88 Cb -0.20 -0.87 -0.08 0.00 0.00 0.00 0.00 23.12 21.97 2k5g s ALA 88 CO 0.04 -0.59 0.85 -0.98 0.00 0.00 0.00 175.76 175.09 2k5g s ARG 89 N 1.89 3.98 0.00 0.00 1.70 -1.26 -2.58 118.95 122.68 2k5g s ARG 89 Ca 0.04 0.78 -0.28 0.00 -0.47 0.00 0.00 55.73 55.80 2k5g s ARG 89 Cb -0.13 -2.29 0.08 0.00 -0.57 0.00 0.00 34.95 32.03 2k5g s ARG 89 CO -0.06 -0.04 0.70 -3.38 -1.08 0.00 0.00 175.30 171.43 2k5g s HIS 90 N -2.29 -0.57 0.46 5.89 -3.43 0.29 -4.94 115.29 110.70 2k5g s HIS 90 Ca 0.56 0.78 -0.21 0.00 -0.80 0.00 0.00 55.06 55.39 2k5g s HIS 90 Cb -0.10 0.47 -0.09 0.00 -1.43 0.00 0.00 32.58 31.43 2k5g s HIS 90 CO 0.24 -0.65 1.03 0.99 -2.00 0.00 0.00 174.74 174.34 2k5g s THR 91 N -2.08 3.85 -0.17 -5.38 2.01 -1.26 -1.27 115.64 111.34 2k5g s THR 91 Ca -0.05 1.20 -0.05 0.00 0.31 0.00 0.00 61.69 63.09 2k5g s THR 91 Cb -0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 2k5g s THR 91 CO 0.01 -0.21 0.01 -1.48 -0.69 0.00 0.00 174.62 172.26 2k5g s LEU 92 N -3.30 3.46 -0.16 4.42 2.34 -0.42 -2.77 118.68 122.24 2k5g s LEU 92 Ca 0.65 -0.07 -0.14 0.00 0.06 0.00 0.00 54.13 54.63 2k5g s LEU 92 Cb -0.16 -1.86 -0.10 0.00 -0.56 0.00 0.00 46.19 43.51 2k5g s LEU 92 CO 0.20 0.15 0.05 0.25 -1.06 0.00 0.00 176.35 175.94 2k5g h LEU 93 N 6.87 0.00 -8.54 1.48 7.12 -0.61 -1.28 115.31 120.35 2k5g h LEU 93 Ca -0.34 -0.25 -0.68 0.00 0.13 0.00 0.00 57.88 56.74 2k5g h LEU 93 Cb 1.18 0.00 -0.30 0.00 -0.53 0.00 0.00 40.66 41.01 2k5g h LEU 93 CO 0.65 1.01 -0.88 -0.60 -0.13 0.00 0.00 178.44 178.49 2k5g s ARG 94 N -2.21 2.13 -0.32 1.25 3.52 -0.90 -4.32 118.95 118.09 2k5g s ARG 94 Ca -0.19 -0.89 0.04 0.00 -0.13 0.00 0.00 55.73 54.56 2k5g s ARG 94 Cb 0.03 -1.99 0.17 0.00 -1.56 0.00 0.00 34.95 31.60 2k5g s ARG 94 CO 0.36 0.50 0.46 0.00 -0.81 0.00 0.00 175.30 175.81 2k5g s GLU 96 N 2.26 1.99 0.15 0.00 2.02 0.65 -4.99 118.70 120.77 2k5g s GLU 96 Ca 0.12 -2.74 -0.25 0.00 0.02 0.00 0.00 54.97 52.12 2k5g s GLU 96 Cb -0.11 -3.14 -0.08 0.00 0.10 0.00 0.00 34.13 30.91 2k5g s GLU 96 CO -0.21 -1.18 0.78 -1.25 0.02 0.00 0.00 175.26 173.42 2k5g s PRO 97 N -0.54 4.56 -0.48 0.39 0.05 -1.26 -0.75 135.00 136.97 2k5g s PRO 97 Ca 0.20 1.15 -0.16 0.00 0.05 0.00 0.00 61.00 62.25 2k5g s PRO 97 Cb -0.18 -3.28 0.08 0.00 0.05 0.00 0.00 34.50 31.17 2k5g s PRO 97 CO -0.06 0.52 0.41 -1.25 0.05 0.00 0.00 177.00 176.67 2k5g s PRO 98 N -0.94 2.98 0.00 0.56 0.04 -1.26 -5.04 135.00 131.34 2k5g s PRO 98 Ca 0.36 -1.42 0.00 0.00 0.04 0.00 0.00 61.00 59.98 2k5g s PRO 98 Cb -0.23 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2k5g s PRO 98 CO 0.26 -1.09 0.00 0.54 0.04 0.00 0.00 177.00 176.75 2k5g n ARG 99 N 5.21 0.00 -4.23 4.56 5.12 0.07 -5.01 116.66 122.39 2k5g n ARG 99 Ca -0.13 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.60 2k5g n ARG 99 Cb 0.43 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.61 2k5g n ARG 99 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2k5g s VAL 100 N -0.07 1.32 0.03 1.55 -7.23 -0.98 -0.84 120.40 114.18 2k5g s VAL 100 Ca 0.00 -1.57 -0.08 0.00 -1.81 0.00 0.00 61.98 58.52 2k5g s VAL 100 Cb 0.00 -1.40 -0.00 0.00 0.56 0.00 0.00 36.38 35.54 2k5g s VAL 100 CO 0.00 -0.31 0.15 -1.48 -0.31 0.00 0.00 175.10 173.15 2k5g s LEU 101 N -2.17 1.54 -0.12 1.32 0.05 -0.09 -0.25 118.68 118.96 2k5g s LEU 101 Ca 0.05 -0.36 -0.09 0.00 0.05 0.00 0.00 54.13 53.79 2k5g s LEU 101 Cb -0.07 0.78 0.04 0.00 -2.05 0.00 0.00 46.19 44.89 2k5g s LEU 101 CO 0.03 -0.49 0.30 0.00 -0.55 0.00 0.00 176.35 175.64 2k5g s ALA 102 N -2.21 -0.74 0.30 1.48 0.00 0.26 -0.12 121.76 120.74 2k5g s ALA 102 Ca -0.08 1.00 0.06 0.00 0.00 0.00 0.00 51.96 52.93 2k5g s ALA 102 Cb -0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 2k5g s ALA 102 CO -0.02 -0.18 0.28 1.47 0.00 0.00 0.00 175.76 177.31 2k5g n LEU 103 N 3.52 0.00 -4.44 0.00 -0.00 -0.34 0.15 117.00 115.89 2k5g n LEU 103 Ca -0.18 -2.76 -0.31 0.00 -0.00 0.00 0.00 56.01 52.76 2k5g n LEU 103 Cb 0.56 1.60 -0.13 0.00 -0.00 0.00 0.00 43.42 45.45 2k5g n LEU 103 CO 0.14 -0.48 -0.50 0.28 -0.00 0.00 0.00 177.39 176.83 2k5g s THR 104 N -3.13 2.72 -0.17 1.47 -1.32 -1.12 0.11 115.64 114.19 2k5g s THR 104 Ca 0.34 -1.19 -0.03 0.00 -1.21 0.00 0.00 61.69 59.60 2k5g s THR 104 Cb 0.01 -2.13 0.06 0.00 -1.51 0.00 0.00 72.50 68.93 2k5g s THR 104 CO 0.24 0.35 0.05 0.86 -2.21 0.00 0.00 174.62 173.91 2k5g s TRP 105 N -0.90 0.74 0.00 9.09 -0.11 0.29 -4.79 118.94 123.25 2k5g s TRP 105 Ca 0.14 -0.62 0.00 0.00 1.22 0.00 0.00 56.10 56.84 2k5g s TRP 105 Cb -0.10 -0.90 0.00 0.00 -1.50 0.00 0.00 33.47 30.97 2k5g s TRP 105 CO 0.05 -0.55 0.00 0.41 -4.62 0.00 0.00 176.95 172.24 2k5g n GLY 106 N 5.13 1.25 0.00 5.86 0.00 -1.26 -3.67 105.19 112.50 2k5g n GLY 106 Ca -0.08 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.39 0.00 -0.02 0.00 -1.26 -4.98 105.19 99.32 2k5g n GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.00 2.46 -0.02 0.00 -1.26 -4.77 105.19 102.60 2k5g n GLY 108 Ca 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.40 -0.22 0.00 4.61 0.00 -1.26 -3.52 120.51 119.72 2k5g n ALA 109 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2k5g n ALA 109 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 -1.02 3.23 1.29 0.00 0.00 -1.26 -4.81 105.19 102.61 2k5g n GLY 110 Ca -0.15 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 2k5g n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5g n GLU 111 N 0.00 0.93 -1.57 1.61 -0.58 -1.23 -5.08 120.64 114.71 2k5g n GLU 111 Ca 0.00 -1.05 -0.33 0.00 -0.42 0.00 0.00 57.16 55.36 2k5g n GLU 111 Cb 0.00 -0.05 0.07 0.00 -0.57 0.00 0.00 31.44 30.89 2k5g n GLU 111 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k5g s ALA 112 N -2.24 2.31 -0.19 0.62 0.00 -1.26 -4.02 121.76 116.98 2k5g s ALA 112 Ca 0.19 0.61 -0.39 0.00 0.00 0.00 0.00 51.96 52.36 2k5g s ALA 112 Cb -0.01 -3.36 -0.16 0.00 0.00 0.00 0.00 23.12 19.59 2k5g s ALA 112 CO 0.12 -1.55 1.67 -2.30 0.00 0.00 0.00 175.76 173.70 2k5g n PRO 113 N -2.69 1.24 -1.91 0.00 -0.02 -1.26 -4.44 135.00 125.93 2k5g n PRO 113 Ca 0.11 0.45 -0.38 0.00 -2.02 0.00 0.00 63.50 61.67 2k5g n PRO 113 Cb 0.52 -2.14 0.03 0.00 -0.02 0.00 0.00 33.50 31.89 2k5g n PRO 113 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2k5g s SER 114 N 2.94 5.34 0.28 2.55 0.01 -1.24 -4.79 113.70 118.80 2k5g s SER 114 Ca 0.95 2.60 0.10 0.00 1.31 0.00 0.00 55.95 60.91 2k5g s SER 114 Cb -1.02 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 62.55 2k5g s SER 114 CO 0.61 -1.51 -0.06 -1.83 0.41 0.00 0.00 173.24 170.85 2k5g s GLU 115 N -3.00 2.05 -0.11 12.44 -1.05 0.40 0.10 118.70 129.54 2k5g s GLU 115 Ca 0.72 -1.60 -0.00 0.00 -0.15 0.00 0.00 54.97 53.95 2k5g s GLU 115 Cb -0.36 -1.99 0.02 0.00 -0.44 0.00 0.00 34.13 31.36 2k5g s GLU 115 CO 0.42 0.31 -0.09 0.08 0.95 0.00 0.00 175.26 176.93 2k5g s VAL 116 N -2.42 1.10 -0.30 1.83 1.01 0.30 0.12 120.40 122.04 2k5g s VAL 116 Ca 0.32 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 2k5g s VAL 116 Cb -0.05 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 2k5g s VAL 116 CO 0.18 0.38 0.11 -0.22 0.00 0.00 0.00 175.10 175.55 2k5g s LEU 117 N 1.60 3.91 -0.26 3.92 1.98 0.17 -1.20 118.68 128.79 2k5g s LEU 117 Ca 0.03 -0.56 -0.10 0.00 -2.89 0.00 0.00 54.13 50.61 2k5g s LEU 117 Cb -0.13 -1.94 -0.05 0.00 0.66 0.00 0.00 46.19 44.73 2k5g s LEU 117 CO -0.08 -0.17 0.16 -0.36 -1.89 0.00 0.00 176.35 174.02 2k5g s PHE 118 N 1.57 3.23 -0.18 5.38 0.08 0.83 -0.93 117.98 127.96 2k5g s PHE 118 Ca 0.04 0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.19 2k5g s PHE 118 Cb -0.17 -2.32 0.03 0.00 -0.57 0.00 0.00 43.02 39.98 2k5g s PHE 118 CO 0.04 -0.11 -0.15 -1.21 -0.10 0.00 0.00 175.22 173.69 2k5g s GLU 119 N 1.50 2.51 -0.12 0.44 2.02 -1.08 -0.91 118.70 123.06 2k5g s GLU 119 Ca 0.07 -0.76 -0.03 0.00 0.02 0.00 0.00 54.97 54.27 2k5g s GLU 119 Cb -0.15 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 2k5g s GLU 119 CO 0.08 -0.28 0.00 -0.51 0.02 0.00 0.00 175.26 174.57 2k5g s LEU 120 N 1.37 3.52 0.04 1.80 1.43 -0.02 -2.13 118.68 124.69 2k5g s LEU 120 Ca 0.03 0.05 0.09 0.00 -1.03 0.00 0.00 54.13 53.27 2k5g s LEU 120 Cb -0.14 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2k5g s LEU 120 CO -0.11 0.28 -0.26 -0.44 0.23 0.00 0.00 176.35 176.05 2k5g s SER 121 N -0.28 3.21 -0.22 2.29 0.01 0.39 -4.68 113.70 114.42 2k5g s SER 121 Ca 0.06 -0.56 -0.09 0.00 1.31 0.00 0.00 55.95 56.67 2k5g s SER 121 Cb -0.12 -0.32 -0.05 0.00 0.21 0.00 0.00 66.02 65.74 2k5g s SER 121 CO 0.02 0.27 0.12 -1.83 0.41 0.00 0.00 173.24 172.23 2k5g s GLU 122 N -1.17 4.02 0.10 12.44 -1.05 -1.26 -0.99 118.70 130.80 2k5g s GLU 122 Ca 0.12 -0.30 0.01 0.00 -0.15 0.00 0.00 54.97 54.64 2k5g s GLU 122 Cb -0.10 -3.40 0.01 0.00 -0.44 0.00 0.00 34.13 30.19 2k5g s GLU 122 CO 0.02 0.14 0.06 0.00 0.95 0.00 0.00 175.26 176.43 2k5g n ALA 123 N 3.99 0.14 0.03 -0.84 0.00 0.59 -4.97 120.51 119.45 2k5g n ALA 123 Ca -0.16 -0.43 -0.10 0.00 0.00 0.00 0.00 53.44 52.75 2k5g n ALA 123 Cb 0.52 0.19 -0.04 0.00 0.00 0.00 0.00 19.45 20.12 2k5g n ALA 123 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k5g h GLY 124 N 0.15 -0.27 0.00 0.00 0.00 -1.95 -3.35 103.07 97.65 2k5g h GLY 124 Ca -0.07 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2k5g h GLY 124 CO 0.11 -0.19 0.00 1.18 0.00 0.00 0.00 176.54 177.64 2k5g n GLU 125 N -5.35 -0.25 -4.51 4.80 1.02 -1.26 -4.95 120.64 110.14 2k5g n GLU 125 Ca -0.04 -0.17 -0.26 0.00 -0.02 0.00 0.00 57.16 56.68 2k5g n GLU 125 Cb 0.27 -0.65 -0.08 0.00 -0.02 0.00 0.00 31.44 30.97 2k5g n GLU 125 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2k5g s GLN 126 N -0.01 1.97 0.02 3.49 -0.21 -1.22 -2.19 119.66 121.50 2k5g s GLN 126 Ca 0.00 -2.21 0.01 0.00 0.02 0.00 0.00 55.36 53.18 2k5g s GLN 126 Cb 0.00 -0.51 -0.01 0.00 1.00 0.00 0.00 33.01 33.49 2k5g s GLN 126 CO 0.00 -0.54 -0.04 0.14 -2.12 0.00 0.00 175.29 172.73 2k5g s VAL 127 N -3.19 0.28 -0.22 1.09 -7.23 0.79 -0.30 120.40 111.61 2k5g s VAL 127 Ca 0.23 -0.59 -0.09 0.00 -1.81 0.00 0.00 61.98 59.72 2k5g s VAL 127 Cb 0.02 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.59 2k5g s VAL 127 CO 0.16 -0.21 0.11 -0.13 -0.31 0.00 0.00 175.10 174.72 2k5g s ARG 128 N -0.85 3.98 -0.11 4.82 3.00 -0.16 -0.23 118.95 129.41 2k5g s ARG 128 Ca -0.06 -0.32 0.04 0.00 0.00 0.00 0.00 55.73 55.38 2k5g s ARG 128 Cb -0.06 -3.40 0.00 0.00 0.00 0.00 0.00 34.95 31.49 2k5g s ARG 128 CO -0.00 0.10 -0.24 -1.17 0.00 0.00 0.00 175.30 173.99 2k5g s LEU 129 N 0.90 2.09 -0.05 2.53 2.96 0.05 -0.46 118.68 126.69 2k5g s LEU 129 Ca 0.06 -0.57 0.06 0.00 -0.22 0.00 0.00 54.13 53.46 2k5g s LEU 129 Cb -0.13 -1.41 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 2k5g s LEU 129 CO 0.03 0.15 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.29 2k5g s VAL 130 N 0.41 1.86 -0.27 1.68 1.01 -0.90 -0.41 120.40 123.78 2k5g s VAL 130 Ca -0.17 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.74 2k5g s VAL 130 Cb -0.18 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 2k5g s VAL 130 CO 0.07 0.52 0.17 -0.22 0.00 0.00 0.00 175.10 175.65 2k5g s LEU 131 N -0.12 3.99 -0.38 3.92 0.20 -0.42 -2.63 118.68 123.24 2k5g s LEU 131 Ca -0.03 0.00 0.01 0.00 0.69 0.00 0.00 54.13 54.80 2k5g s LEU 131 Cb -0.13 -2.10 0.11 0.00 -0.43 0.00 0.00 46.19 43.64 2k5g s LEU 131 CO 0.03 -0.02 0.14 -0.89 -0.29 0.00 0.00 176.35 175.32 2k5g s THR 132 N 1.57 2.80 -0.43 3.68 2.01 -0.11 -2.77 115.64 122.40 2k5g s THR 132 Ca 0.07 -2.23 -0.17 0.00 0.31 0.00 0.00 61.69 59.67 2k5g s THR 132 Cb -0.15 -2.98 0.03 0.00 0.01 0.00 0.00 72.50 69.40 2k5g s THR 132 CO 0.09 -0.65 0.41 -2.28 -0.69 0.00 0.00 174.62 171.50 2k5g s HIS 133 N 0.98 3.19 0.35 4.92 2.46 -0.60 0.45 115.29 127.03 2k5g s HIS 133 Ca 0.10 -0.50 0.08 0.00 0.47 0.00 0.00 55.06 55.21 2k5g s HIS 133 Cb -0.21 -2.90 -0.03 0.00 -0.13 0.00 0.00 32.58 29.31 2k5g s HIS 133 CO -0.06 -0.71 0.24 0.99 -2.47 0.00 0.00 174.74 172.73 2k5g s THR 134 N 2.01 3.25 -1.37 0.89 2.01 0.12 -2.73 115.64 119.83 2k5g s THR 134 Ca 0.10 -1.49 -0.03 0.00 0.31 0.00 0.00 61.69 60.58 2k5g s THR 134 Cb -0.18 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.24 2k5g s THR 134 CO 0.12 -0.16 0.36 -1.14 -0.69 0.00 0.00 174.62 173.11 2k5g n ARG 135 N -1.30 -3.32 -1.81 4.92 0.63 -1.26 -0.45 116.66 114.06 2k5g n ARG 135 Ca -0.02 0.79 -0.42 0.00 -0.92 0.00 0.00 57.85 57.29 2k5g n ARG 135 Cb 0.61 -5.33 -0.03 0.00 0.45 0.00 0.00 32.46 28.16 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 -5.49 4.37 0.22 6.15 1.43 -1.25 -3.59 118.68 120.52 2k5g s LEU 136 Ca 0.18 2.78 -0.03 0.00 -1.03 0.00 0.00 54.13 56.04 2k5g s LEU 136 Cb -0.08 -3.60 0.21 0.00 0.03 0.00 0.00 46.19 42.75 2k5g s LEU 136 CO 0.22 -0.91 1.61 0.00 0.23 0.00 0.00 176.35 177.50 2k5g h ALA 137 N 6.60 0.87 -2.88 4.21 0.00 -1.84 -3.47 119.26 122.76 2k5g h ALA 137 Ca -0.43 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.04 2k5g h ALA 137 Cb 1.20 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 2k5g h ALA 137 CO 0.93 0.63 0.08 0.34 0.00 0.00 0.00 179.25 181.23 2k5g s ASP 138 N -6.81 -0.41 0.49 0.00 -1.08 -1.26 -4.47 116.67 103.12 2k5g s ASP 138 Ca -0.08 -0.14 0.26 0.00 -0.52 0.00 0.00 52.55 52.06 2k5g s ASP 138 Cb 0.13 0.54 1.28 0.00 -1.46 0.00 0.00 42.92 43.41 2k5g s ASP 138 CO 0.83 -0.91 1.99 0.08 0.52 0.00 0.00 175.17 177.68 2k5g h ARG 139 N 2.18 0.00 0.00 4.34 0.11 -1.90 0.11 114.38 119.22 2k5g h ARG 139 Ca -0.34 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.70 2k5g h ARG 139 Cb 1.28 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 2k5g h ARG 139 CO 0.42 0.16 -0.22 0.00 0.10 0.00 0.00 179.97 180.44 2k5g h ALA 140 N 1.84 1.06 -0.49 0.08 0.00 -1.95 -2.79 119.26 117.01 2k5g h ALA 140 Ca -0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2k5g h ALA 140 Cb 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k5g h ALA 140 CO 0.02 0.27 -0.15 0.00 0.00 0.00 0.00 179.25 179.39 2k5g h ALA 141 N 1.78 0.68 -0.86 0.00 0.00 -1.16 0.44 119.26 120.14 2k5g h ALA 141 Ca -0.00 -0.36 0.13 0.00 0.00 0.00 0.00 54.91 54.67 2k5g h ALA 141 Cb 0.68 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 2k5g h ALA 141 CO 0.03 0.61 0.47 1.98 0.00 0.00 0.00 179.25 182.34 2k5g h MET 142 N 0.82 0.70 0.00 0.00 -1.53 -1.31 0.27 114.93 113.87 2k5g h MET 142 Ca 0.12 -0.04 -0.06 0.00 -3.44 0.00 0.00 59.70 56.28 2k5g h MET 142 Cb 0.72 -0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.60 2k5g h MET 142 CO 0.05 0.46 -0.27 -0.07 0.14 0.00 0.00 176.91 177.22 2k5g h LEU 143 N 0.72 0.00 -0.32 3.39 3.38 -1.07 0.21 115.31 121.62 2k5g h LEU 143 Ca 0.45 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.34 2k5g h LEU 143 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2k5g h LEU 143 CO -0.32 0.27 -0.12 -0.78 0.09 0.00 0.00 178.44 177.59 2k5g h ASP 144 N 0.00 0.66 1.08 -0.43 3.58 0.33 -2.80 116.42 118.85 2k5g h ASP 144 Ca -0.00 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2k5g h ASP 144 Cb 0.64 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2k5g h ASP 144 CO 0.04 0.90 -0.46 -0.37 -2.88 0.00 0.00 179.24 176.46 2k5g h VAL 145 N 0.42 0.00 -0.47 2.25 -1.51 -1.06 -3.33 116.25 112.56 2k5g h VAL 145 Ca 0.08 -0.55 0.04 0.00 -1.23 0.00 0.00 66.70 65.04 2k5g h VAL 145 Cb 0.63 1.25 -0.04 0.00 -2.13 0.00 0.00 31.29 30.99 2k5g h VAL 145 CO 0.04 0.00 0.22 0.00 -1.23 0.00 0.00 177.57 176.60 2k5g h ALA 146 N 2.45 0.58 -0.02 5.19 0.00 -0.30 0.37 119.26 127.54 2k5g h ALA 146 Ca 0.00 0.03 -0.49 0.00 0.00 0.00 0.00 54.91 54.45 2k5g h ALA 146 Cb 0.77 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2k5g h ALA 146 CO 0.00 -0.14 2.19 0.41 0.00 0.00 0.00 179.25 181.71 2k5g n GLY 147 N -1.24 3.79 0.00 0.00 0.00 -1.17 -3.78 105.19 102.79 2k5g n GLY 147 Ca 0.04 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2k5g n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 148 N 3.11 0.29 0.05 -0.02 0.00 -1.18 -4.98 105.19 102.46 2k5g n GLY 148 Ca 0.65 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.70 2k5g n GLY 148 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2k5g h TRP 149 N 0.00 -0.00 -0.65 1.61 2.91 -0.52 -3.14 115.95 116.15 2k5g h TRP 149 Ca 0.00 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.15 2k5g h TRP 149 Cb 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 29.16 28.55 2k5g h TRP 149 CO 0.00 0.23 0.11 1.25 -1.03 0.00 0.00 178.44 179.00 2k5g h HIS 150 N -0.24 0.16 -0.06 2.65 2.76 -1.22 -0.91 115.15 118.29 2k5g h HIS 150 Ca -0.00 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 2k5g h HIS 150 Cb 0.23 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 2k5g h HIS 150 CO 0.00 -0.09 0.05 0.00 -1.30 0.00 0.00 177.93 176.60 2k5g h ALA 151 N 1.55 1.95 0.00 5.26 0.00 -1.72 -1.55 119.26 124.75 2k5g h ALA 151 Ca 0.35 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2k5g h ALA 151 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k5g h ALA 151 CO -0.47 -0.08 -0.03 1.12 0.00 0.00 0.00 179.25 179.79 2k5g h HIS 152 N 0.00 0.00 0.00 0.00 2.07 -1.21 -0.92 115.15 115.09 2k5g h HIS 152 Ca 0.03 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.52 2k5g h HIS 152 Cb 0.13 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.10 2k5g h HIS 152 CO 0.00 0.03 -0.13 -0.07 -3.07 0.00 0.00 177.93 174.69 2k5g h LEU 153 N 0.00 0.00 0.10 6.12 3.38 -1.40 0.85 115.31 124.36 2k5g h LEU 153 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 2k5g h LEU 153 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2k5g h LEU 153 CO 0.00 0.13 -1.26 0.00 0.09 0.00 0.00 178.44 177.40 2k5g h ALA 154 N 1.87 0.20 -0.13 1.53 0.00 -1.35 -3.27 119.26 118.11 2k5g h ALA 154 Ca -0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 54.91 53.85 2k5g h ALA 154 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k5g h ALA 154 CO 0.02 1.08 -0.38 0.28 0.00 0.00 0.00 179.25 180.25 2k5g h VAL 155 N 0.06 1.30 0.34 0.00 2.07 -1.20 -1.41 116.25 117.40 2k5g h VAL 155 Ca -0.13 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 65.93 2k5g h VAL 155 Cb 1.94 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 33.30 2k5g h VAL 155 CO 0.18 0.44 -0.43 -0.07 0.02 0.00 0.00 177.57 177.71 2k5g h LEU 156 N 0.23 -1.20 -0.60 2.57 3.38 -0.93 0.15 115.31 118.92 2k5g h LEU 156 Ca 0.02 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 2k5g h LEU 156 Cb 0.78 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2k5g h LEU 156 CO 0.06 -0.56 0.11 0.00 0.09 0.00 0.00 178.44 178.14 2k5g h ALA 157 N -0.46 0.79 0.01 1.53 0.00 -1.62 -1.21 119.26 118.31 2k5g h ALA 157 Ca -0.02 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2k5g h ALA 157 Cb 0.75 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2k5g h ALA 157 CO -0.12 0.54 -0.19 0.78 0.00 0.00 0.00 179.25 180.26 2k5g h GLY 158 N 0.89 -0.26 0.85 0.00 0.00 -1.03 0.72 103.07 104.24 2k5g h GLY 158 Ca 0.18 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 2k5g h GLY 158 CO 0.01 -0.17 -0.02 1.70 0.00 0.00 0.00 176.54 178.06 2k5g h LYS 159 N -0.31 -0.05 0.00 4.80 1.63 -0.59 -0.92 116.57 121.13 2k5g h LYS 159 Ca 0.05 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2k5g h LYS 159 Cb 0.38 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2k5g h LYS 159 CO -0.17 0.11 -0.13 -0.07 -3.45 0.00 0.00 179.45 175.75 2k5g h LEU 160 N -0.20 0.00 0.00 5.20 3.38 -1.09 -0.74 115.31 121.85 2k5g h LEU 160 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k5g h LEU 160 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2k5g h LEU 160 CO 0.01 0.13 -0.14 0.00 0.09 0.00 0.00 178.44 178.52 2k5g n ALA 161 N -2.38 2.48 -1.18 1.53 0.00 0.23 -4.85 120.51 116.34 2k5g n ALA 161 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k5g n ALA 161 Cb 0.22 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.36 1.06 3.55 0.00 0.00 -0.29 -5.08 105.19 105.79 2k5g n GLY 162 Ca 0.05 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 2k5g n GLY 162 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k5g s GLN 163 N -2.72 1.87 0.42 1.61 -2.07 -0.38 -4.83 119.66 113.56 2k5g s GLN 163 Ca 0.00 -2.10 -0.18 0.00 -1.82 0.00 0.00 55.36 51.27 2k5g s GLN 163 Cb 0.00 -1.06 -0.09 0.00 -1.09 0.00 0.00 33.01 30.76 2k5g s GLN 163 CO 0.00 -0.26 0.88 0.00 -1.32 0.00 0.00 175.29 174.59 2k5g s ALA 164 N -3.09 3.15 0.72 2.60 0.00 0.57 -3.89 121.76 121.81 2k5g s ALA 164 Ca 0.28 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 2k5g s ALA 164 Cb 0.06 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.21 2k5g s ALA 164 CO 0.14 0.09 1.20 -0.35 0.00 0.00 0.00 175.76 176.84 2k5g n PRO 165 N -0.82 0.65 -1.64 0.00 -0.04 -1.26 -2.13 135.00 129.76 2k5g n PRO 165 Ca 0.06 0.29 -0.29 0.00 -0.04 0.00 0.00 63.50 63.51 2k5g n PRO 165 Cb 0.54 -2.44 0.14 0.00 -0.04 0.00 0.00 33.50 31.70 2k5g n PRO 165 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2k5g s PRO 166 N -3.65 1.03 -0.26 0.54 0.04 -1.26 -4.25 135.00 127.19 2k5g s PRO 166 Ca 0.78 0.11 -0.33 0.00 0.04 0.00 0.00 61.00 61.60 2k5g s PRO 166 Cb -0.34 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 2k5g s PRO 166 CO 0.46 -2.24 2.15 -2.30 0.04 0.00 0.00 177.00 175.11 2k5g n PRO 167 N -3.76 1.55 -2.07 0.56 -0.02 -1.26 -4.84 135.00 125.16 2k5g n PRO 167 Ca 0.09 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 2k5g n PRO 167 Cb 0.60 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2k5g n PRO 167 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2k5g n PHE 168 N 9.88 3.58 0.00 6.00 -0.00 -1.26 -3.04 117.46 132.62 2k5g n PHE 168 Ca 0.34 -2.93 0.00 0.00 -0.00 0.00 0.00 57.45 54.86 2k5g n PHE 168 Cb 0.31 -2.38 0.00 0.00 -0.00 0.00 0.00 39.48 37.41 2k5g n PHE 168 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 2k5g n TRP 169 N 5.72 -0.85 0.26 -5.13 7.02 -1.26 -4.57 117.44 118.62 2k5g n TRP 169 Ca 0.47 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.79 2k5g n TRP 169 Cb 0.39 0.17 -0.08 0.00 -2.42 0.00 0.00 31.31 29.37 2k5g n TRP 169 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 2k5g h THR 170 N 0.00 0.50 0.00 -0.99 2.02 -1.95 0.40 112.91 112.88 2k5g h THR 170 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 2k5g h THR 170 Cb 0.00 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2k5g h THR 170 CO 0.00 0.00 -0.46 0.00 0.37 0.00 0.00 175.52 175.43 2k5g h THR 171 N -0.64 1.21 0.45 3.16 1.03 -1.89 -0.17 112.91 116.05 2k5g h THR 171 Ca -0.05 -1.65 -0.02 0.00 -0.01 0.00 0.00 66.41 64.68 2k5g h THR 171 Cb 0.51 1.92 0.00 0.00 -1.07 0.00 0.00 68.15 69.51 2k5g h THR 171 CO 0.07 0.45 -0.22 0.25 -0.01 0.00 0.00 175.52 176.07 2k5g h LEU 172 N 0.00 -0.51 -0.67 0.00 6.46 -1.73 -0.82 115.31 118.03 2k5g h LEU 172 Ca -0.00 -0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 57.54 2k5g h LEU 172 Cb 0.88 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 2k5g h LEU 172 CO 0.06 -0.21 -0.43 0.00 -0.62 0.00 0.00 178.44 177.24 2k5g h ALA 173 N -0.38 0.85 -0.52 1.25 0.00 -0.16 -0.15 119.26 120.16 2k5g h ALA 173 Ca -0.06 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2k5g h ALA 173 Cb 0.56 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2k5g h ALA 173 CO 0.10 0.65 0.10 1.96 0.00 0.00 0.00 179.25 182.06 2k5g h GLN 174 N 0.43 0.85 -0.27 0.00 7.50 -1.04 0.29 115.11 122.87 2k5g h GLN 174 Ca 0.03 -0.22 -0.03 0.00 0.50 0.00 0.00 58.65 58.94 2k5g h GLN 174 Cb 0.93 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.34 2k5g h GLN 174 CO 0.08 0.82 0.06 0.00 -1.50 0.00 0.00 178.83 178.29 2k5g h ALA 175 N 0.99 0.36 -0.32 3.87 0.00 -1.00 0.12 119.26 123.29 2k5g h ALA 175 Ca 0.16 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2k5g h ALA 175 Cb 0.37 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2k5g h ALA 175 CO 0.01 0.03 -0.21 0.93 0.00 0.00 0.00 179.25 180.00 2k5g h GLU 176 N 0.27 -0.17 -0.37 0.00 4.39 -0.73 0.11 114.58 118.08 2k5g h GLU 176 Ca 0.08 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 2k5g h GLU 176 Cb 0.30 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2k5g h GLU 176 CO 0.00 -0.11 0.06 1.96 -1.16 0.00 0.00 179.01 179.76 2k5g h GLN 177 N -0.18 0.61 0.16 2.33 1.08 -0.31 -0.96 115.11 117.85 2k5g h GLN 177 Ca 0.16 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2k5g h GLN 177 Cb 0.43 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2k5g h GLN 177 CO -0.42 0.67 -0.08 0.22 -0.95 0.00 0.00 178.83 178.27 2k5g h ASP 178 N 0.45 -0.18 -0.58 1.46 3.58 -0.63 -2.60 116.42 117.92 2k5g h ASP 178 Ca 0.11 -0.20 -0.06 0.00 0.42 0.00 0.00 57.03 57.30 2k5g h ASP 178 Cb 0.35 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 2k5g h ASP 178 CO 0.01 0.10 0.14 1.88 -2.88 0.00 0.00 179.24 178.49 2k5g h TYR 179 N -0.48 1.01 -1.00 0.28 0.05 -0.82 0.56 116.97 116.58 2k5g h TYR 179 Ca -0.02 -0.11 0.11 0.00 0.05 0.00 0.00 58.73 58.76 2k5g h TYR 179 Cb 0.37 -0.29 -0.08 0.00 1.01 0.00 0.00 36.73 37.74 2k5g h TYR 179 CO 0.01 0.84 0.63 0.93 -1.05 0.00 0.00 178.16 179.52 2k5g h GLU 180 N 0.93 1.00 -0.13 4.88 4.39 -1.14 0.24 114.58 124.74 2k5g h GLU 180 Ca 0.20 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.66 2k5g h GLU 180 Cb 0.34 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2k5g h GLU 180 CO 0.00 0.66 -0.61 0.37 -1.16 0.00 0.00 179.01 178.27 2k5g h GLN 181 N 1.03 0.64 0.00 2.33 5.75 -0.91 -2.70 115.11 121.25 2k5g h GLN 181 Ca 0.48 -0.52 -0.06 0.00 -0.15 0.00 0.00 58.65 58.41 2k5g h GLN 181 Cb 0.42 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 2k5g h GLN 181 CO -0.25 1.14 -0.26 0.00 -2.65 0.00 0.00 178.83 176.81 2k5g h ARG 182 N 0.30 0.00 0.23 1.69 2.47 -0.12 -3.15 114.38 115.79 2k5g h ARG 182 Ca -0.04 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2k5g h ARG 182 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2k5g h ARG 182 CO 0.13 0.26 -0.11 -0.07 0.56 0.00 0.00 179.97 180.74 2k5g h LEU 183 N 0.00 -0.26 0.00 3.04 4.07 -0.55 -3.46 115.31 118.15 2k5g h LEU 183 Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2k5g h LEU 183 Cb 0.53 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2k5g h LEU 183 CO 0.03 -0.06 0.00 -0.11 -1.08 0.00 0.00 178.44 177.22 2k5g n LEU 184 N -3.48 0.00 -4.60 1.67 7.94 -1.02 -4.60 117.00 112.91 2k5g n LEU 184 Ca -0.04 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.43 2k5g n LEU 184 Cb 0.12 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.05 2k5g n LEU 184 CO 0.09 0.00 1.03 -0.70 -1.11 0.00 0.00 177.39 176.70 2k5g s GLU 185 N 0.00 3.69 0.00 1.96 -6.30 -1.26 -4.97 118.70 111.81 2k5g s GLU 185 Ca 0.00 0.51 0.00 0.00 -2.50 0.00 0.00 54.97 52.98 2k5g s GLU 185 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 34.13 30.21 2k5g s GLU 185 CO 0.00 -1.42 0.00 0.72 0.02 0.00 0.00 175.26 174.58 2k5g n HIS 186 N 7.91 0.00 -2.86 5.30 8.25 -1.26 -4.83 115.22 127.74 2k5g n HIS 186 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 2k5g n HIS 186 Cb 0.49 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 2k5g n HIS 186 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k5g s HIS 187 N 0.00 3.31 0.09 4.41 5.65 -1.26 -4.55 115.29 122.95 2k5g s HIS 187 Ca 0.00 1.18 -0.23 0.00 0.25 0.00 0.00 55.06 56.26 2k5g s HIS 187 Cb 0.00 -3.09 -0.07 0.00 -1.18 0.00 0.00 32.58 28.24 2k5g s HIS 187 CO 0.00 -0.42 0.69 -3.38 -0.65 0.00 0.00 174.74 170.98 2k5g s HIS 188 N 2.90 3.81 0.15 3.88 -3.43 -1.26 -5.07 115.29 116.28 2k5g s HIS 188 Ca 0.36 1.44 0.10 0.00 -0.80 0.00 0.00 55.06 56.16 2k5g s HIS 188 Cb -0.15 -2.67 -0.04 0.00 -1.43 0.00 0.00 32.58 28.28 2k5g s HIS 188 CO 0.07 0.47 -0.19 -1.01 -2.00 0.00 0.00 174.74 172.08 2k5g s HIS 189 N -0.79 2.45 0.00 0.38 3.76 -1.26 -5.05 115.29 114.78 2k5g s HIS 189 Ca 0.34 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 2k5g s HIS 189 Cb -0.21 -1.26 0.00 0.00 1.11 0.00 0.00 32.58 32.22 2k5g s HIS 189 CO 0.22 0.44 0.00 1.58 -0.85 0.00 0.00 174.74 176.13 2k5g n HIS 190 N 0.50 0.00 0.00 1.40 -0.00 -1.26 -5.29 115.22 110.57 2k5g n HIS 190 Ca -0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.04 2k5g n HIS 190 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 2k5g n HIS 190 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38