#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 1.96 -0.66 2.03 -4.23 -1.26 -5.01 115.64 108.47 2k5g s THR 2 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 2k5g s THR 2 Cb 0.00 -2.55 0.17 0.00 1.34 0.00 0.00 72.50 71.46 2k5g s THR 2 CO 0.00 0.00 0.47 -0.44 -0.54 0.00 0.00 174.62 174.11 2k5g s SER 3 N -3.63 5.22 0.69 3.99 0.01 -1.26 -5.08 113.70 113.64 2k5g s SER 3 Ca 0.66 -3.03 -0.11 0.00 1.31 0.00 0.00 55.95 54.77 2k5g s SER 3 Cb -0.17 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.23 2k5g s SER 3 CO 0.57 -0.32 1.08 -2.84 0.41 0.00 0.00 173.24 172.13 2k5g s PRO 4 N -0.32 2.99 -1.07 12.44 0.02 -1.26 -4.27 135.00 143.53 2k5g s PRO 4 Ca 0.19 0.60 -0.01 0.00 0.02 0.00 0.00 61.00 61.79 2k5g s PRO 4 Cb -0.19 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.31 2k5g s PRO 4 CO -0.05 -0.97 0.90 0.43 -0.33 0.00 0.00 177.00 176.98 2k5g n SER 5 N -2.99 -2.56 0.00 2.53 7.64 -1.26 -4.73 113.62 112.25 2k5g n SER 5 Ca 0.07 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.42 2k5g n SER 5 Cb 0.56 -4.55 0.02 0.00 -1.01 0.00 0.00 64.21 59.24 2k5g n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k5g n SER 6 N -2.81 0.00 -4.50 6.43 7.64 -1.26 -4.60 113.62 114.51 2k5g n SER 6 Ca -0.22 -1.27 -0.43 0.00 1.01 0.00 0.00 58.87 57.96 2k5g n SER 6 Cb 0.64 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.79 2k5g n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k5g s ALA 7 N -2.00 3.18 -0.05 -0.43 0.00 -1.26 -4.84 121.76 116.35 2k5g s ALA 7 Ca 0.01 -1.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.25 2k5g s ALA 7 Cb 0.01 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 2k5g s ALA 7 CO 0.01 -2.42 1.02 -0.59 0.00 0.00 0.00 175.76 173.77 2k5g s PHE 8 N 3.82 3.55 0.65 0.00 -0.71 -1.26 -4.95 117.98 119.08 2k5g s PHE 8 Ca 0.27 1.60 -0.01 0.00 -1.04 0.00 0.00 56.93 57.75 2k5g s PHE 8 Cb -0.14 -3.19 0.08 0.00 -1.21 0.00 0.00 43.02 38.56 2k5g s PHE 8 CO 0.16 -0.25 0.91 -1.25 -1.34 0.00 0.00 175.22 173.46 2k5g s PRO 9 N 1.60 2.11 -0.25 1.99 0.04 -1.26 -5.06 135.00 134.17 2k5g s PRO 9 Ca 0.51 -0.79 -0.08 0.00 0.04 0.00 0.00 61.00 60.67 2k5g s PRO 9 Cb -0.20 -2.35 -0.16 0.00 0.04 0.00 0.00 34.50 31.83 2k5g s PRO 9 CO 0.23 -1.12 -0.19 -0.25 0.04 0.00 0.00 177.00 175.70 2k5g n ASP 10 N -2.67 1.97 0.00 6.66 8.00 -1.26 -5.08 116.55 124.17 2k5g n ASP 10 Ca 0.11 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2k5g n ASP 10 Cb 0.60 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 2k5g n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k5g n GLY 11 N 1.70 -0.46 3.61 0.44 0.00 -1.26 -4.97 105.19 104.24 2k5g n GLY 11 Ca -0.47 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 2k5g n GLY 11 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k5g s HIS 12 N 0.00 -0.45 0.03 1.61 -3.43 -1.26 -5.17 115.29 106.61 2k5g s HIS 12 Ca 0.00 0.95 0.02 0.00 -0.80 0.00 0.00 55.06 55.23 2k5g s HIS 12 Cb 0.00 0.40 -0.02 0.00 -1.43 0.00 0.00 32.58 31.53 2k5g s HIS 12 CO 0.00 -0.30 -0.06 0.20 -2.00 0.00 0.00 174.74 172.58 2k5g s GLY 13 N -0.41 0.38 0.06 -1.38 0.00 -1.26 -5.07 107.32 99.63 2k5g s GLY 13 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 44.72 44.13 2k5g s GLY 13 CO -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 173.10 172.49 2k5g s ALA 14 N -1.02 0.39 -0.85 3.20 0.00 -1.26 -5.10 121.76 117.12 2k5g s ALA 14 Ca -0.08 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.64 2k5g s ALA 14 Cb -0.08 0.30 0.21 0.00 0.00 0.00 0.00 23.12 23.56 2k5g s ALA 14 CO 0.00 -0.39 0.82 1.03 0.00 0.00 0.00 175.76 177.22 2k5g s ARG 15 N -3.86 3.62 0.33 0.00 3.00 -1.26 -5.03 118.95 115.75 2k5g s ARG 15 Ca 0.06 -2.41 0.08 0.00 0.00 0.00 0.00 55.73 53.46 2k5g s ARG 15 Cb 0.07 -4.49 -0.04 0.00 0.00 0.00 0.00 34.95 30.49 2k5g s ARG 15 CO -0.10 -1.34 0.14 -0.51 0.00 0.00 0.00 175.30 173.49 2k5g s LEU 16 N 0.39 3.30 0.10 2.53 1.43 -1.26 -5.07 118.68 120.10 2k5g s LEU 16 Ca 0.20 -0.72 -0.31 0.00 -1.03 0.00 0.00 54.13 52.27 2k5g s LEU 16 Cb -0.09 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.24 2k5g s LEU 16 CO -0.09 -0.26 1.56 -0.62 0.23 0.00 0.00 176.35 177.17 2k5g s ASP 17 N -3.84 6.65 -0.19 2.29 2.15 -1.26 -4.98 116.67 117.50 2k5g s ASP 17 Ca 0.37 2.47 -0.00 0.00 0.43 0.00 0.00 52.55 55.82 2k5g s ASP 17 Cb -0.03 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 40.02 2k5g s ASP 17 CO 0.23 -0.82 -0.16 0.00 -0.17 0.00 0.00 175.17 174.25 2k5g s ALA 18 N 1.90 2.45 -0.11 3.66 0.00 -1.26 -4.93 121.76 123.47 2k5g s ALA 18 Ca 0.70 -1.20 0.20 0.00 0.00 0.00 0.00 51.96 51.66 2k5g s ALA 18 Cb -0.40 -1.30 -0.28 0.00 0.00 0.00 0.00 23.12 21.13 2k5g s ALA 18 CO 0.31 -0.36 0.36 1.04 0.00 0.00 0.00 175.76 177.11 2k5g n GLN 19 N 4.65 0.67 -4.20 0.00 6.02 -1.26 -4.97 117.38 118.29 2k5g n GLN 19 Ca -0.20 -0.09 -0.17 0.00 -0.01 0.00 0.00 57.00 56.52 2k5g n GLN 19 Cb 0.50 -1.55 -0.07 0.00 1.02 0.00 0.00 30.24 30.15 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 -4.99 1.28 -0.24 1.08 0.01 -1.26 -4.76 113.70 104.81 2k5g s SER 20 Ca -0.08 -1.62 -0.09 0.00 1.31 0.00 0.00 55.95 55.46 2k5g s SER 20 Cb 0.11 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.88 2k5g s SER 20 CO 0.87 -1.15 0.13 -0.63 0.41 0.00 0.00 173.24 172.87 2k5g s ILE 21 N -3.32 4.97 -0.19 1.44 -1.09 -0.95 -4.99 121.20 117.08 2k5g s ILE 21 Ca 0.36 0.05 -0.07 0.00 -2.23 0.00 0.00 60.65 58.76 2k5g s ILE 21 Cb 0.01 -3.32 0.09 0.00 -1.58 0.00 0.00 42.46 37.66 2k5g s ILE 21 CO 0.24 0.34 0.40 0.00 -1.23 0.00 0.00 174.94 174.69 2k5g s ARG 22 N 1.26 0.31 -0.15 2.79 3.03 -1.22 0.44 118.95 125.40 2k5g s ARG 22 Ca 0.06 0.98 -0.03 0.00 2.03 0.00 0.00 55.73 58.77 2k5g s ARG 22 Cb -0.14 0.26 0.05 0.00 -1.03 0.00 0.00 34.95 34.09 2k5g s ARG 22 CO 0.05 -0.25 0.05 -0.06 -1.13 0.00 0.00 175.30 173.97 2k5g s PHE 23 N 2.50 0.56 -0.27 5.89 0.08 -0.51 -4.95 117.98 121.28 2k5g s PHE 23 Ca -0.02 -0.43 -0.16 0.00 0.12 0.00 0.00 56.93 56.44 2k5g s PHE 23 Cb -0.12 -0.81 -0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2k5g s PHE 23 CO -0.12 -0.49 0.40 -2.00 -0.10 0.00 0.00 175.22 172.91 2k5g s GLU 24 N 2.01 4.01 -0.04 0.44 2.12 -1.26 -0.77 118.70 125.22 2k5g s GLU 24 Ca 0.02 0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.46 2k5g s GLU 24 Cb -0.15 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.58 2k5g s GLU 24 CO -0.07 -0.30 -0.12 0.50 -0.54 0.00 0.00 175.26 174.72 2k5g s ARG 25 N 2.12 1.41 -0.01 4.30 3.52 0.20 -4.95 118.95 125.55 2k5g s ARG 25 Ca 0.16 -0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 55.04 2k5g s ARG 25 Cb -0.16 -1.24 -0.03 0.00 -1.56 0.00 0.00 34.95 31.96 2k5g s ARG 25 CO 0.10 0.13 0.98 -1.17 -0.81 0.00 0.00 175.30 174.52 2k5g s LEU 26 N 0.29 4.36 0.18 -0.88 1.98 -1.26 -0.80 118.68 122.55 2k5g s LEU 26 Ca -0.07 1.64 0.09 0.00 -2.89 0.00 0.00 54.13 52.91 2k5g s LEU 26 Cb -0.12 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.13 2k5g s LEU 26 CO 0.02 -0.27 -0.19 -0.76 -1.89 0.00 0.00 176.35 173.26 2k5g s LEU 27 N 1.05 2.45 0.40 -0.68 1.43 0.82 -4.97 118.68 119.18 2k5g s LEU 27 Ca 0.52 -0.88 -0.24 0.00 -1.03 0.00 0.00 54.13 52.50 2k5g s LEU 27 Cb -0.21 -0.89 -0.09 0.00 0.03 0.00 0.00 46.19 45.04 2k5g s LEU 27 CO 0.27 -0.01 1.04 -2.16 0.23 0.00 0.00 176.35 175.72 2k5g s PRO 28 N -2.84 4.19 0.00 1.29 0.04 -1.26 -1.48 135.00 134.94 2k5g s PRO 28 Ca 0.17 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2k5g s PRO 28 Cb -0.06 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.94 2k5g s PRO 28 CO 0.07 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.41 2k5g n GLY 29 N 0.31 0.67 0.11 0.56 0.00 -1.19 -4.50 105.19 101.14 2k5g n GLY 29 Ca 0.05 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 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 0.22 0.00 1.61 0.13 -1.75 -2.13 132.00 130.08 2k5g h PRO 30 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2k5g h PRO 30 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 2k5g h PRO 30 CO 0.00 0.15 0.00 1.51 -0.23 0.00 0.00 178.00 179.43 2k5g n ILE 31 N -4.99 0.00 0.01 -3.56 3.06 -1.26 -3.68 119.36 108.95 2k5g n ILE 31 Ca -0.03 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.14 2k5g n ILE 31 Cb 0.04 0.00 0.08 0.00 0.54 0.00 0.00 39.64 40.31 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2k5g h GLU 32 N 0.00 0.51 -0.75 9.51 5.08 -1.93 -1.15 114.58 125.86 2k5g h GLU 32 Ca 0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2k5g h GLU 32 Cb 0.00 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2k5g h GLU 32 CO 0.00 0.90 0.48 -0.09 -1.00 0.00 0.00 179.01 179.30 2k5g h ARG 33 N 0.40 0.99 -0.08 2.33 2.43 -1.90 -0.92 114.38 117.63 2k5g h ARG 33 Ca 0.02 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 2k5g h ARG 33 Cb 1.03 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2k5g h ARG 33 CO 0.09 0.67 -0.71 0.28 -1.51 0.00 0.00 179.97 178.80 2k5g h VAL 34 N 1.02 1.38 -0.27 0.20 2.07 -1.74 -3.05 116.25 115.85 2k5g h VAL 34 Ca 0.27 -2.11 -0.10 0.00 0.82 0.00 0.00 66.70 65.58 2k5g h VAL 34 Cb -0.09 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2k5g h VAL 34 CO -0.06 0.63 -0.27 -0.25 0.02 0.00 0.00 177.57 177.65 2k5g h TRP 35 N 0.27 0.61 -0.94 1.57 2.91 -0.87 -3.24 115.95 116.26 2k5g h TRP 35 Ca -0.03 -0.14 0.20 0.00 1.13 0.00 0.00 58.89 60.05 2k5g h TRP 35 Cb 1.27 -0.15 -0.11 0.00 -0.51 0.00 0.00 29.16 29.66 2k5g h TRP 35 CO 0.04 0.76 0.51 0.00 -1.03 0.00 0.00 178.44 178.72 2k5g h ALA 36 N 1.24 1.54 0.00 2.65 0.00 -1.05 0.41 119.26 124.05 2k5g h ALA 36 Ca 0.06 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2k5g h ALA 36 Cb 0.72 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2k5g h ALA 36 CO 0.05 -0.18 -0.51 -1.49 0.00 0.00 0.00 179.25 177.12 2k5g h TRP 37 N 0.60 0.00 -0.30 0.00 -0.00 -1.70 -1.00 115.95 113.55 2k5g h TRP 37 Ca 0.56 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 59.35 2k5g h TRP 37 Cb 0.95 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.10 2k5g h TRP 37 CO -0.06 0.51 -0.23 -0.07 -0.00 0.00 0.00 178.44 178.60 2k5g h LEU 38 N 0.00 0.57 0.00 -4.49 3.38 -0.34 -3.30 115.31 111.13 2k5g h LEU 38 Ca -0.01 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.58 2k5g h LEU 38 Cb 1.37 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2k5g h LEU 38 CO 0.07 0.80 -1.21 0.00 0.09 0.00 0.00 178.44 178.19 2k5g n ALA 39 N -2.49 0.75 -1.61 1.53 0.00 -0.18 -4.89 120.51 113.61 2k5g n ALA 39 Ca -0.00 -0.56 -0.45 0.00 0.00 0.00 0.00 53.44 52.43 2k5g n ALA 39 Cb 0.40 -0.29 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 2k5g n ALA 39 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k5g n ASP 40 N -4.46 3.37 0.30 0.00 2.03 -0.39 -4.83 116.55 112.58 2k5g n ASP 40 Ca -0.27 0.56 0.19 0.00 0.52 0.00 0.00 54.79 55.79 2k5g n ASP 40 Cb 0.59 -1.47 0.91 0.00 -0.72 0.00 0.00 41.12 40.43 2k5g n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5g h ALA 41 N 12.40 1.03 0.12 -1.67 0.00 -1.88 -1.13 119.26 128.14 2k5g h ALA 41 Ca -0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2k5g h ALA 41 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k5g h ALA 41 CO 0.96 0.02 -0.06 0.22 0.00 0.00 0.00 179.25 180.39 2k5g h ASP 42 N 0.00 -0.14 -0.11 0.00 3.58 -1.93 -2.57 116.42 115.25 2k5g h ASP 42 Ca -0.00 -0.36 -0.10 0.00 0.42 0.00 0.00 57.03 56.99 2k5g h ASP 42 Cb 0.28 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2k5g h ASP 42 CO 0.00 0.32 -0.32 0.11 -2.88 0.00 0.00 179.24 176.47 2k5g h LYS 43 N -0.64 0.41 -0.01 0.28 1.57 -1.83 -3.25 116.57 113.09 2k5g h LYS 43 Ca -0.02 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 2k5g h LYS 43 Cb 0.49 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 2k5g h LYS 43 CO 0.03 0.91 -0.04 0.07 -0.57 0.00 0.00 179.45 179.86 2k5g h ARG 44 N -0.03 0.02 -0.00 3.15 0.11 -1.28 0.31 114.38 116.65 2k5g h ARG 44 Ca -0.01 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2k5g h ARG 44 Cb 0.94 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.02 2k5g h ARG 44 CO 0.07 0.05 0.02 0.00 0.10 0.00 0.00 179.97 180.21 2k5g h ALA 45 N 1.95 1.13 0.00 0.08 0.00 -1.49 0.76 119.26 121.69 2k5g h ALA 45 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k5g h ALA 45 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2k5g h ALA 45 CO 0.00 -0.02 -0.24 2.89 0.00 0.00 0.00 179.25 181.89 2k5g n ARG 46 N -3.24 0.94 0.00 0.00 1.85 0.07 -4.27 116.66 112.01 2k5g n ARG 46 Ca -0.03 -2.25 0.00 0.00 -1.00 0.00 0.00 57.85 54.57 2k5g n ARG 46 Cb 0.09 -1.19 0.00 0.00 -1.05 0.00 0.00 32.46 30.31 2k5g n ARG 46 CO 0.00 0.00 0.00 -2.67 -0.01 0.00 0.00 177.63 174.95 2k5g n TRP 47 N -0.95 0.00 0.00 2.89 4.27 -0.84 -5.02 117.44 117.80 2k5g n TRP 47 Ca 0.12 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.73 2k5g n TRP 47 Cb 0.69 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.64 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 -0.38 0.00 0.00 5.67 -0.00 0.85 -4.72 117.00 118.42 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 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 2k5g n LEU 48 CO 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 177.39 176.95 2k5g n ALA 49 N -2.32 0.00 -2.38 1.96 0.00 0.23 -4.93 120.51 113.07 2k5g n ALA 49 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2k5g n ALA 49 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2k5g n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k5g s GLY 50 N 0.00 2.78 -0.30 0.00 0.00 0.11 -3.59 107.32 106.33 2k5g s GLY 50 Ca 0.00 0.26 -0.23 0.00 0.00 0.00 0.00 44.72 44.75 2k5g s GLY 50 CO 0.00 1.04 1.32 -0.32 0.00 0.00 0.00 173.10 175.14 2k5g s GLY 51 N -0.14 0.31 0.53 0.20 0.00 -1.25 -0.64 107.32 106.33 2k5g s GLY 51 Ca 0.38 3.43 -0.03 0.00 0.00 0.00 0.00 44.72 48.50 2k5g s GLY 51 CO 0.23 2.11 0.80 1.85 0.00 0.00 0.00 173.10 178.08 2k5g s GLU 52 N 0.31 2.98 0.02 2.90 -6.30 -1.26 -4.38 118.70 112.98 2k5g s GLU 52 Ca 0.03 -0.23 0.05 0.00 -2.50 0.00 0.00 54.97 52.33 2k5g s GLU 52 Cb -0.04 -2.40 -0.03 0.00 0.00 0.00 0.00 34.13 31.65 2k5g s GLU 52 CO -0.13 -0.51 -0.13 -0.51 0.02 0.00 0.00 175.26 174.00 2k5g s LEU 53 N -4.80 2.84 0.00 2.70 1.43 -1.26 -4.26 118.68 115.32 2k5g s LEU 53 Ca 0.51 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2k5g s LEU 53 Cb -0.10 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2k5g s LEU 53 CO 0.42 0.27 0.00 -0.81 0.23 0.00 0.00 176.35 176.46 2k5g n PRO 54 N 1.57 0.75 -0.12 1.29 -0.04 -1.26 -5.06 135.00 132.13 2k5g n PRO 54 Ca -0.16 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.08 2k5g n PRO 54 Cb 0.52 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.87 2k5g n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k5g n ARG 55 N -0.56 0.64 -2.89 0.54 5.12 -1.26 -4.99 116.66 113.26 2k5g n ARG 55 Ca 0.00 0.21 -0.37 0.00 -1.93 0.00 0.00 57.85 55.76 2k5g n ARG 55 Cb 0.00 -1.55 -0.06 0.00 -1.16 0.00 0.00 32.46 29.69 2k5g n ARG 55 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2k5g s GLN 56 N -2.51 4.52 -0.85 5.56 -0.21 -1.26 -4.99 119.66 119.93 2k5g s GLN 56 Ca -0.34 1.20 -0.23 0.00 0.02 0.00 0.00 55.36 56.01 2k5g s GLN 56 Cb 0.10 -2.94 0.07 0.00 1.00 0.00 0.00 33.01 31.24 2k5g s GLN 56 CO 0.59 0.38 1.23 -1.25 -2.12 0.00 0.00 175.29 174.11 2k5g s PRO 57 N -1.81 3.38 0.00 2.91 0.04 -1.26 -2.93 135.00 135.33 2k5g s PRO 57 Ca 0.45 -0.97 0.00 0.00 0.04 0.00 0.00 61.00 60.52 2k5g s PRO 57 Cb -0.20 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.64 2k5g s PRO 57 CO 0.24 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 175.68 2k5g n GLY 58 N 5.85 0.45 3.87 0.56 0.00 -0.96 -4.88 105.19 110.08 2k5g n GLY 58 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2k5g n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5g s GLN 59 N 0.00 3.28 -0.13 1.61 -0.21 -1.15 -4.60 119.66 118.46 2k5g s GLN 59 Ca 0.00 0.64 -0.11 0.00 0.02 0.00 0.00 55.36 55.91 2k5g s GLN 59 Cb 0.00 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 2k5g s GLN 59 CO 0.00 -0.78 0.24 0.95 -2.12 0.00 0.00 175.29 173.58 2k5g s THR 60 N -3.24 5.33 0.31 -0.19 -4.23 -1.26 -1.72 115.64 110.64 2k5g s THR 60 Ca 0.56 0.44 0.09 0.00 -1.18 0.00 0.00 61.69 61.60 2k5g s THR 60 Cb -0.11 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 2k5g s THR 60 CO 0.53 0.49 0.09 0.72 -0.54 0.00 0.00 174.62 175.91 2k5g s PHE 61 N -0.19 2.72 -0.33 3.99 -0.71 0.16 -4.85 117.98 118.78 2k5g s PHE 61 Ca 0.16 -0.32 -0.13 0.00 -1.04 0.00 0.00 56.93 55.60 2k5g s PHE 61 Cb -0.13 -1.48 -0.02 0.00 -1.21 0.00 0.00 43.02 40.18 2k5g s PHE 61 CO 0.04 0.45 0.25 -1.21 -1.34 0.00 0.00 175.22 173.41 2k5g s GLU 62 N -3.78 3.62 -0.35 1.99 2.02 -1.26 -0.18 118.70 120.75 2k5g s GLU 62 Ca 0.35 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.78 2k5g s GLU 62 Cb -0.04 -3.77 0.07 0.00 0.10 0.00 0.00 34.13 30.49 2k5g s GLU 62 CO 0.22 -0.39 0.11 -1.17 0.02 0.00 0.00 175.26 174.04 2k5g s LEU 63 N 1.78 4.53 0.03 1.80 1.98 -0.06 -3.92 118.68 124.83 2k5g s LEU 63 Ca 0.07 -1.51 0.08 0.00 -2.89 0.00 0.00 54.13 49.88 2k5g s LEU 63 Cb -0.17 -1.81 -0.03 0.00 0.66 0.00 0.00 46.19 44.85 2k5g s LEU 63 CO 0.11 -0.39 -0.24 -1.38 -1.89 0.00 0.00 176.35 172.56 2k5g s HIS 64 N 1.26 2.11 0.83 5.38 -3.43 0.19 -0.80 115.29 120.83 2k5g s HIS 64 Ca 0.01 -0.40 -0.12 0.00 -0.80 0.00 0.00 55.06 53.75 2k5g s HIS 64 Cb -0.21 -1.28 0.09 0.00 -1.43 0.00 0.00 32.58 29.75 2k5g s HIS 64 CO -0.01 0.08 1.16 -0.06 -2.00 0.00 0.00 174.74 173.90 2k5g s PHE 65 N -0.74 2.83 0.15 0.38 0.08 -0.28 0.07 117.98 120.47 2k5g s PHE 65 Ca 0.10 0.82 -0.30 0.00 0.12 0.00 0.00 56.93 57.67 2k5g s PHE 65 Cb -0.09 -3.41 -0.07 0.00 -0.57 0.00 0.00 43.02 38.87 2k5g s PHE 65 CO 0.01 -1.92 1.13 1.21 -0.10 0.00 0.00 175.22 175.55 2k5g s ASN 66 N -4.36 7.20 0.37 1.36 2.47 -1.26 -4.40 114.94 116.32 2k5g s ASN 66 Ca 0.62 2.08 0.07 0.00 0.42 0.00 0.00 52.86 56.05 2k5g s ASN 66 Cb -0.12 -2.60 0.77 0.00 -1.45 0.00 0.00 41.25 37.85 2k5g s ASN 66 CO 0.51 -0.30 1.96 1.12 -3.72 0.00 0.00 177.10 176.67 2k5g h HIS 67 N 5.53 0.74 0.00 0.43 2.07 -1.84 -3.10 115.15 118.98 2k5g h HIS 67 Ca -0.44 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 2k5g h HIS 67 Cb 1.21 -0.24 0.00 0.00 2.57 0.00 0.00 27.41 30.95 2k5g h HIS 67 CO 0.64 0.38 0.00 0.00 -3.07 0.00 0.00 177.93 175.88 2k5g n ALA 68 N -2.45 0.00 0.00 6.11 0.00 -1.22 -3.22 120.51 119.73 2k5g n ALA 68 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2k5g n ALA 68 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2k5g n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5g n ALA 69 N 0.00 0.00 -0.10 0.00 0.00 -1.26 -5.05 120.51 114.10 2k5g n ALA 69 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2k5g n ALA 69 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2k5g n ALA 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k5g n LEU 70 N 0.00 1.86 -3.60 0.00 -0.00 -1.26 -5.06 117.00 108.93 2k5g n LEU 70 Ca 0.00 0.47 0.01 0.00 -0.00 0.00 0.00 56.01 56.49 2k5g n LEU 70 Cb 0.00 -0.92 -0.01 0.00 -0.00 0.00 0.00 43.42 42.49 2k5g n LEU 70 CO 0.00 0.08 1.14 0.28 -0.00 0.00 0.00 177.39 178.88 2k5g s THR 71 N -2.36 0.00 -1.38 1.96 -1.32 -1.26 -4.93 115.64 106.34 2k5g s THR 71 Ca -0.26 -0.07 -0.08 0.00 -1.21 0.00 0.00 61.69 60.08 2k5g s THR 71 Cb 0.06 -1.64 0.01 0.00 -1.51 0.00 0.00 72.50 69.41 2k5g s THR 71 CO 0.48 0.00 1.02 0.00 -2.21 0.00 0.00 174.62 173.91 2k5g n ALA 72 N -0.33 -1.20 0.10 11.08 0.00 -1.26 -4.45 120.51 124.45 2k5g n ALA 72 Ca -0.05 0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.86 2k5g n ALA 72 Cb 0.61 -5.05 0.57 0.00 0.00 0.00 0.00 19.45 15.58 2k5g n ALA 72 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2k5g h GLU 73 N -2.34 0.20 -4.41 0.00 -0.00 -1.98 -3.21 114.58 102.85 2k5g h GLU 73 Ca -0.55 -0.01 -0.72 0.00 -0.00 0.00 0.00 59.36 58.07 2k5g h GLU 73 Cb 1.36 -0.05 -0.26 0.00 -0.00 0.00 0.00 28.75 29.81 2k5g h GLU 73 CO 0.55 0.13 -0.42 0.99 -0.00 0.00 0.00 179.01 180.27 2k5g s THR 74 N -5.22 4.64 -0.12 -1.06 2.01 -1.26 -5.05 115.64 109.58 2k5g s THR 74 Ca -0.06 -1.22 -0.30 0.00 0.31 0.00 0.00 61.69 60.41 2k5g s THR 74 Cb 0.18 -3.79 0.09 0.00 0.01 0.00 0.00 72.50 68.99 2k5g s THR 74 CO 0.71 -0.51 0.81 0.00 -0.69 0.00 0.00 174.62 174.94 2k5g s ALA 75 N 1.52 -1.84 -2.00 7.40 0.00 -1.21 -5.01 121.76 120.62 2k5g s ALA 75 Ca 0.03 1.50 0.05 0.00 0.00 0.00 0.00 51.96 53.55 2k5g s ALA 75 Cb -0.23 -0.43 0.30 0.00 0.00 0.00 0.00 23.12 22.76 2k5g s ALA 75 CO 0.04 -0.34 0.91 -0.35 0.00 0.00 0.00 175.76 176.02 2k5g n PRO 76 N 1.08 0.68 -0.18 0.00 -0.04 -1.26 -4.84 135.00 130.43 2k5g n PRO 76 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2k5g n PRO 76 Cb 0.57 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 2k5g n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k5g n ALA 77 N -0.61 0.00 0.14 0.55 0.00 -1.26 -4.82 120.51 114.51 2k5g n ALA 77 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.49 2k5g n ALA 77 Cb 0.02 -0.13 0.34 0.00 0.00 0.00 0.00 19.45 19.68 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 1.73 0.13 0.00 0.00 3.08 -2.01 -3.00 114.38 114.31 2k5g h ARG 78 Ca 0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2k5g h ARG 78 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2k5g h ARG 78 CO 0.00 0.43 -0.14 2.48 -1.07 0.00 0.00 179.97 181.67 2k5g n TYR 79 N -4.14 0.00 -0.61 3.04 0.18 -1.26 -4.68 117.16 109.69 2k5g n TYR 79 Ca -0.01 -0.72 -0.08 0.00 1.88 0.00 0.00 57.90 58.96 2k5g n TYR 79 Cb 0.38 -0.12 0.21 0.00 -0.38 0.00 0.00 39.34 39.43 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2k5g n ALA 80 N -1.03 4.34 0.32 -3.48 0.00 -1.13 -4.36 120.51 115.15 2k5g n ALA 80 Ca 0.12 -1.91 0.15 0.00 0.00 0.00 0.00 53.44 51.80 2k5g n ALA 80 Cb 0.66 -1.24 0.68 0.00 0.00 0.00 0.00 19.45 19.55 2k5g n ALA 80 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2k5g h GLN 81 N 1.73 0.00 -0.01 0.00 4.15 -1.84 -0.63 115.11 118.51 2k5g h GLN 81 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.71 2k5g h GLN 81 Cb 2.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.80 2k5g h GLN 81 CO 0.66 0.00 -0.27 0.66 -1.93 0.00 0.00 178.83 177.95 2k5g n TYR 82 N -2.69 0.00 -0.78 3.99 4.01 -1.26 -4.08 117.16 116.35 2k5g n TYR 82 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 2k5g n TYR 82 Cb 0.21 -0.06 0.17 0.00 -0.31 0.00 0.00 39.34 39.35 2k5g n TYR 82 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2k5g n ASP 83 N -0.23 2.98 -4.23 7.72 2.03 -0.25 -4.09 116.55 120.47 2k5g n ASP 83 Ca 0.12 -2.78 -0.19 0.00 0.52 0.00 0.00 54.79 52.47 2k5g n ASP 83 Cb 0.40 -0.39 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 2k5g n ASP 83 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2k5g s ARG 84 N -2.37 0.98 -0.64 -0.67 0.52 -1.17 -3.41 118.95 112.20 2k5g s ARG 84 Ca 0.31 -1.16 -0.26 0.00 -0.52 0.00 0.00 55.73 54.10 2k5g s ARG 84 Cb 0.25 -0.93 -0.06 0.00 0.52 0.00 0.00 34.95 34.72 2k5g s ARG 84 CO 0.07 0.19 2.16 -2.14 0.02 0.00 0.00 175.30 175.60 2k5g s PRO 85 N -2.37 2.25 -0.21 3.54 0.02 -1.20 -4.54 135.00 132.50 2k5g s PRO 85 Ca 0.06 0.73 -0.00 0.00 0.02 0.00 0.00 61.00 61.81 2k5g s PRO 85 Cb -0.07 -4.63 0.05 0.00 0.02 0.00 0.00 34.50 29.88 2k5g s PRO 85 CO 0.03 -3.32 -0.04 0.42 -0.33 0.00 0.00 177.00 173.76 2k5g s ILE 86 N 11.33 1.24 -0.29 2.83 1.01 -1.26 -5.01 121.20 131.06 2k5g s ILE 86 Ca 0.83 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 2k5g s ILE 86 Cb -0.13 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.83 2k5g s ILE 86 CO 0.17 -0.05 0.04 0.54 0.00 0.00 0.00 174.94 175.64 2k5g s VAL 87 N 1.54 3.60 -0.10 2.92 0.11 -1.26 -1.13 120.40 126.08 2k5g s VAL 87 Ca -0.03 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.18 2k5g s VAL 87 Cb -0.17 -2.88 0.02 0.00 -1.53 0.00 0.00 36.38 31.82 2k5g s VAL 87 CO -0.07 0.08 -0.13 0.00 -3.33 0.00 0.00 175.10 171.65 2k5g s ALA 88 N 1.43 1.56 0.42 1.54 0.00 0.01 -4.94 121.76 121.79 2k5g s ALA 88 Ca 0.01 -0.65 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 2k5g s ALA 88 Cb -0.17 -0.81 -0.10 0.00 0.00 0.00 0.00 23.12 22.03 2k5g s ALA 88 CO 0.00 -0.13 0.97 -0.98 0.00 0.00 0.00 175.76 175.63 2k5g s ARG 89 N 1.10 4.19 0.03 0.00 1.70 -1.26 -0.88 118.95 123.83 2k5g s ARG 89 Ca -0.05 1.22 0.02 0.00 -0.47 0.00 0.00 55.73 56.45 2k5g s ARG 89 Cb -0.14 -2.27 -0.02 0.00 -0.57 0.00 0.00 34.95 31.95 2k5g s ARG 89 CO -0.03 -0.07 -0.07 -1.01 -1.08 0.00 0.00 175.30 173.05 2k5g s HIS 90 N -2.03 0.58 0.14 5.89 3.76 0.75 -4.89 115.29 119.48 2k5g s HIS 90 Ca 0.61 -0.38 -0.26 0.00 -0.15 0.00 0.00 55.06 54.88 2k5g s HIS 90 Cb -0.12 -0.35 -0.07 0.00 1.11 0.00 0.00 32.58 33.14 2k5g s HIS 90 CO 0.17 -0.07 0.81 0.99 -0.85 0.00 0.00 174.74 175.78 2k5g s THR 91 N -1.03 4.45 0.20 1.30 2.01 -1.26 -0.66 115.64 120.64 2k5g s THR 91 Ca -0.07 1.76 -0.30 0.00 0.31 0.00 0.00 61.69 63.39 2k5g s THR 91 Cb -0.08 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.19 2k5g s THR 91 CO 0.00 0.46 0.94 -0.76 -0.69 0.00 0.00 174.62 174.57 2k5g s LEU 92 N -0.75 4.60 0.00 4.42 1.43 -0.70 -2.50 118.68 125.18 2k5g s LEU 92 Ca 0.38 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 2k5g s LEU 92 Cb -0.23 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.40 2k5g s LEU 92 CO 0.26 0.09 0.00 -0.11 0.23 0.00 0.00 176.35 176.82 2k5g n LEU 93 N 1.92 0.01 -3.87 1.79 7.94 0.66 -2.27 117.00 123.17 2k5g n LEU 93 Ca -0.01 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.59 2k5g n LEU 93 Cb 0.48 -0.02 -0.15 0.00 0.53 0.00 0.00 43.42 44.26 2k5g n LEU 93 CO 0.50 -0.02 -0.35 -0.60 -1.11 0.00 0.00 177.39 175.82 2k5g s ARG 94 N -0.03 1.14 -0.31 1.96 3.52 -1.23 -4.60 118.95 119.40 2k5g s ARG 94 Ca 0.00 -1.35 0.02 0.00 -0.13 0.00 0.00 55.73 54.27 2k5g s ARG 94 Cb 0.00 -2.54 0.08 0.00 -1.56 0.00 0.00 34.95 30.93 2k5g s ARG 94 CO 0.00 -0.90 -0.01 0.00 -0.81 0.00 0.00 175.30 173.58 2k5g s GLU 96 N 1.04 1.28 0.36 0.00 2.02 0.19 -4.97 118.70 118.62 2k5g s GLU 96 Ca 0.01 -2.08 -0.24 0.00 0.02 0.00 0.00 54.97 52.67 2k5g s GLU 96 Cb -0.20 -2.23 -0.10 0.00 0.10 0.00 0.00 34.13 31.70 2k5g s GLU 96 CO -0.06 -1.21 0.96 -1.25 0.02 0.00 0.00 175.26 173.73 2k5g s PRO 97 N 0.22 4.43 -0.52 0.39 0.04 -1.26 -1.99 135.00 136.31 2k5g s PRO 97 Ca 0.20 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 2k5g s PRO 97 Cb -0.19 -2.59 0.08 0.00 0.04 0.00 0.00 34.50 31.85 2k5g s PRO 97 CO -0.04 0.14 0.57 -1.25 0.04 0.00 0.00 177.00 176.46 2k5g s PRO 98 N -2.44 3.05 0.24 0.56 0.04 -1.26 -4.99 135.00 130.20 2k5g s PRO 98 Ca 0.55 -1.21 0.00 0.00 0.04 0.00 0.00 61.00 60.38 2k5g s PRO 98 Cb -0.16 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.21 2k5g s PRO 98 CO 0.21 -1.26 0.00 0.54 0.04 0.00 0.00 177.00 176.53 2k5g n ARG 99 N 5.84 0.00 -3.84 4.56 5.12 -0.84 -4.96 116.66 122.55 2k5g n ARG 99 Ca -0.10 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.70 2k5g n ARG 99 Cb 0.44 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.60 2k5g n ARG 99 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2k5g s VAL 100 N -1.57 -0.00 -0.01 1.55 0.11 -0.94 0.41 120.40 119.95 2k5g s VAL 100 Ca 0.00 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 2k5g s VAL 100 Cb 0.00 -0.12 -0.01 0.00 -1.53 0.00 0.00 36.38 34.72 2k5g s VAL 100 CO 0.00 0.01 -0.13 -1.48 -3.33 0.00 0.00 175.10 170.16 2k5g s LEU 101 N 0.14 2.00 -0.02 2.54 0.05 0.02 0.53 118.68 123.95 2k5g s LEU 101 Ca -0.01 -0.25 -0.04 0.00 0.05 0.00 0.00 54.13 53.88 2k5g s LEU 101 Cb -0.02 -0.70 0.00 0.00 -2.05 0.00 0.00 46.19 43.43 2k5g s LEU 101 CO -0.00 0.16 0.09 0.00 -0.55 0.00 0.00 176.35 176.05 2k5g s ALA 102 N -0.27 -0.22 0.39 1.48 0.00 -0.23 -0.63 121.76 122.30 2k5g s ALA 102 Ca 0.04 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.88 2k5g s ALA 102 Cb -0.06 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.08 2k5g s ALA 102 CO -0.00 -0.12 0.74 -0.48 0.00 0.00 0.00 175.76 175.90 2k5g s LEU 103 N -0.66 0.23 0.00 0.00 -0.00 -0.36 -0.24 118.68 117.65 2k5g s LEU 103 Ca -0.07 -1.27 0.04 0.00 -0.00 0.00 0.00 54.13 52.82 2k5g s LEU 103 Cb -0.05 2.61 -0.03 0.00 -0.00 0.00 0.00 46.19 48.72 2k5g s LEU 103 CO 0.00 -1.66 -0.09 0.28 -0.00 0.00 0.00 176.35 174.88 2k5g s THR 104 N -2.27 3.46 -0.05 5.48 -1.32 -1.04 0.79 115.64 120.68 2k5g s THR 104 Ca 0.19 -0.83 0.04 0.00 -1.21 0.00 0.00 61.69 59.88 2k5g s THR 104 Cb -0.04 -2.48 -0.02 0.00 -1.51 0.00 0.00 72.50 68.44 2k5g s THR 104 CO 0.14 0.41 -0.18 0.86 -2.21 0.00 0.00 174.62 173.64 2k5g s TRP 105 N -0.96 2.61 0.00 9.09 -0.11 0.18 -4.67 118.94 125.08 2k5g s TRP 105 Ca 0.16 -0.33 0.00 0.00 1.22 0.00 0.00 56.10 57.15 2k5g s TRP 105 Cb -0.11 -1.62 0.00 0.00 -1.50 0.00 0.00 33.47 30.24 2k5g s TRP 105 CO 0.06 0.05 0.00 0.41 -4.62 0.00 0.00 176.95 172.86 2k5g n GLY 106 N 2.53 1.36 0.00 5.86 0.00 -1.26 -2.06 105.19 111.62 2k5g n GLY 106 Ca -0.17 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.24 0.00 -0.02 0.00 -1.26 -4.93 105.19 98.74 2k5g n GLY 107 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.24 2.88 -0.02 0.00 -1.23 -4.88 105.19 102.18 2k5g n GLY 108 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.68 0.00 0.00 4.61 0.00 -1.26 -1.93 120.51 121.25 2k5g n ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k5g n ALA 109 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.75 2.83 0.00 0.00 -1.26 -4.78 105.19 101.71 2k5g n GLY 110 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2k5g n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k5g n GLU 111 N -1.00 0.41 -1.89 1.61 0.00 -0.81 -5.14 120.64 113.82 2k5g n GLU 111 Ca 0.00 -2.80 -0.33 0.00 0.00 0.00 0.00 57.16 54.03 2k5g n GLU 111 Cb 0.00 2.38 0.03 0.00 0.00 0.00 0.00 31.44 33.85 2k5g n GLU 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k5g s ALA 112 N -3.06 2.63 0.13 4.31 0.00 -1.26 -3.56 121.76 120.95 2k5g s ALA 112 Ca 0.33 0.43 -0.35 0.00 0.00 0.00 0.00 51.96 52.36 2k5g s ALA 112 Cb 0.01 -3.26 -0.15 0.00 0.00 0.00 0.00 23.12 19.72 2k5g s ALA 112 CO 0.23 -1.02 1.44 -2.30 0.00 0.00 0.00 175.76 174.11 2k5g n PRO 113 N -2.27 1.62 -0.83 0.00 -0.02 -1.26 -4.65 135.00 127.58 2k5g n PRO 113 Ca 0.09 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.86 2k5g n PRO 113 Cb 0.53 -2.28 0.24 0.00 -0.02 0.00 0.00 33.50 31.97 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 0.64 0.77 0.18 2.55 0.01 -0.87 -4.76 113.70 112.22 2k5g s SER 114 Ca 0.81 0.95 0.05 0.00 1.31 0.00 0.00 55.95 59.07 2k5g s SER 114 Cb -0.82 -1.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 2k5g s SER 114 CO 0.43 -4.25 -0.10 -1.83 0.41 0.00 0.00 173.24 167.90 2k5g s GLU 115 N -5.06 1.20 -0.06 12.44 -1.05 -0.43 0.49 118.70 126.23 2k5g s GLU 115 Ca 0.69 -1.54 0.02 0.00 -0.15 0.00 0.00 54.97 53.98 2k5g s GLU 115 Cb -0.15 -0.78 0.02 0.00 -0.44 0.00 0.00 34.13 32.78 2k5g s GLU 115 CO 0.58 0.08 -0.08 0.08 0.95 0.00 0.00 175.26 176.87 2k5g s VAL 116 N -3.23 0.81 -0.22 1.83 1.01 0.24 0.38 120.40 121.21 2k5g s VAL 116 Ca 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2k5g s VAL 116 Cb 0.02 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.63 2k5g s VAL 116 CO 0.04 0.29 -0.09 -0.76 0.00 0.00 0.00 175.10 174.58 2k5g s LEU 117 N 0.83 2.79 -0.27 3.92 2.01 0.23 -1.22 118.68 126.96 2k5g s LEU 117 Ca -0.12 -0.62 -0.08 0.00 0.01 0.00 0.00 54.13 53.32 2k5g s LEU 117 Cb -0.15 -1.65 -0.02 0.00 0.01 0.00 0.00 46.19 44.39 2k5g s LEU 117 CO 0.01 -0.05 0.10 -0.36 1.01 0.00 0.00 176.35 177.06 2k5g s PHE 118 N 1.38 3.12 -0.13 0.29 0.08 0.20 -0.52 117.98 122.40 2k5g s PHE 118 Ca 0.04 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.55 2k5g s PHE 118 Cb -0.15 -2.27 0.02 0.00 -0.57 0.00 0.00 43.02 40.05 2k5g s PHE 118 CO -0.06 -0.42 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.32 2k5g s GLU 119 N 1.60 1.95 -0.14 0.44 2.02 -1.15 -0.80 118.70 122.63 2k5g s GLU 119 Ca 0.05 -0.42 -0.03 0.00 0.02 0.00 0.00 54.97 54.59 2k5g s GLU 119 Cb -0.16 -1.87 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 2k5g s GLU 119 CO 0.04 -0.24 -0.03 -0.51 0.02 0.00 0.00 175.26 174.54 2k5g s LEU 120 N 1.57 3.33 -0.03 1.80 1.43 0.17 -2.12 118.68 124.82 2k5g s LEU 120 Ca 0.05 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 2k5g s LEU 120 Cb -0.13 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2k5g s LEU 120 CO -0.09 0.22 -0.26 -0.44 0.23 0.00 0.00 176.35 176.01 2k5g s SER 121 N 0.07 3.05 -0.22 2.29 0.01 0.03 -4.68 113.70 114.25 2k5g s SER 121 Ca 0.00 -0.48 -0.15 0.00 1.31 0.00 0.00 55.95 56.63 2k5g s SER 121 Cb -0.13 -0.44 -0.04 0.00 0.21 0.00 0.00 66.02 65.62 2k5g s SER 121 CO 0.02 0.30 0.38 -1.83 0.41 0.00 0.00 173.24 172.53 2k5g s GLU 122 N -0.52 4.12 -0.44 12.44 -1.05 -1.26 -0.16 118.70 131.83 2k5g s GLU 122 Ca 0.07 0.13 0.04 0.00 -0.15 0.00 0.00 54.97 55.06 2k5g s GLU 122 Cb -0.11 -3.57 0.50 0.00 -0.44 0.00 0.00 34.13 30.51 2k5g s GLU 122 CO -0.00 -0.11 1.64 0.00 0.95 0.00 0.00 175.26 177.74 2k5g n ALA 123 N 4.73 5.35 0.00 -0.84 0.00 0.19 -4.96 120.51 124.98 2k5g n ALA 123 Ca -0.09 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 49.94 2k5g n ALA 123 Cb 0.51 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.95 2.42 0.08 0.00 0.00 -1.26 -3.55 105.19 101.94 2k5g n GLY 124 Ca 0.49 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.56 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 0.63 -3.76 1.61 2.13 -1.26 -4.45 120.64 115.54 2k5g n GLU 125 Ca 0.00 0.08 -0.18 0.00 0.66 0.00 0.00 57.16 57.72 2k5g n GLU 125 Cb 0.00 -1.72 -0.06 0.00 0.27 0.00 0.00 31.44 29.93 2k5g n GLU 125 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2k5g n GLN 126 N -2.67 0.56 -4.16 5.31 6.02 -1.23 -2.99 117.38 118.22 2k5g n GLN 126 Ca -0.08 -2.56 -0.15 0.00 -0.01 0.00 0.00 57.00 54.20 2k5g n GLN 126 Cb 0.73 1.59 -0.13 0.00 1.02 0.00 0.00 30.24 33.45 2k5g n GLN 126 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2k5g s VAL 127 N -2.79 0.59 -0.18 5.09 0.11 -0.55 0.56 120.40 123.24 2k5g s VAL 127 Ca 0.20 -0.72 -0.15 0.00 -2.93 0.00 0.00 61.98 58.37 2k5g s VAL 127 Cb 0.01 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 2k5g s VAL 127 CO 0.14 -0.11 0.35 -0.13 -3.33 0.00 0.00 175.10 172.02 2k5g s ARG 128 N -0.91 4.22 -0.17 1.54 0.52 0.77 -0.13 118.95 124.79 2k5g s ARG 128 Ca -0.03 0.16 -0.01 0.00 -0.52 0.00 0.00 55.73 55.33 2k5g s ARG 128 Cb -0.06 -3.48 -0.00 0.00 0.52 0.00 0.00 34.95 31.93 2k5g s ARG 128 CO 0.00 0.10 -0.13 -1.17 0.02 0.00 0.00 175.30 174.13 2k5g s LEU 129 N 0.87 2.55 -0.25 2.53 0.20 0.02 -0.79 118.68 123.81 2k5g s LEU 129 Ca 0.18 -0.47 -0.00 0.00 0.69 0.00 0.00 54.13 54.53 2k5g s LEU 129 Cb -0.14 -1.60 0.03 0.00 -0.43 0.00 0.00 46.19 44.06 2k5g s LEU 129 CO 0.06 0.05 -0.08 0.54 -0.29 0.00 0.00 176.35 176.63 2k5g s VAL 130 N 1.03 2.65 -0.48 1.68 0.11 -0.90 0.62 120.40 125.11 2k5g s VAL 130 Ca -0.01 -1.18 -0.23 0.00 -2.93 0.00 0.00 61.98 57.63 2k5g s VAL 130 Cb -0.15 -2.38 0.03 0.00 -1.53 0.00 0.00 36.38 32.36 2k5g s VAL 130 CO -0.03 0.16 0.82 -0.22 -3.33 0.00 0.00 175.10 172.50 2k5g s LEU 131 N 1.27 4.26 -0.37 2.54 0.20 0.05 -2.92 118.68 123.72 2k5g s LEU 131 Ca -0.02 -0.24 -0.05 0.00 0.69 0.00 0.00 54.13 54.52 2k5g s LEU 131 Cb -0.17 -2.89 0.07 0.00 -0.43 0.00 0.00 46.19 42.77 2k5g s LEU 131 CO -0.05 -1.01 0.14 -0.89 -0.29 0.00 0.00 176.35 174.25 2k5g s THR 132 N 3.44 3.49 -0.42 3.68 2.01 0.32 -1.42 115.64 126.74 2k5g s THR 132 Ca 0.29 -1.57 -0.16 0.00 0.31 0.00 0.00 61.69 60.56 2k5g s THR 132 Cb -0.13 -3.16 0.03 0.00 0.01 0.00 0.00 72.50 69.25 2k5g s THR 132 CO 0.21 -0.40 0.38 -2.28 -0.69 0.00 0.00 174.62 171.84 2k5g s HIS 133 N 1.28 3.20 0.33 4.92 5.04 0.17 0.74 115.29 130.97 2k5g s HIS 133 Ca 0.02 -0.51 0.07 0.00 -1.54 0.00 0.00 55.06 53.10 2k5g s HIS 133 Cb -0.21 -2.81 -0.03 0.00 0.04 0.00 0.00 32.58 29.57 2k5g s HIS 133 CO -0.01 -0.67 0.31 0.99 -2.34 0.00 0.00 174.74 173.02 2k5g s THR 134 N 1.93 3.69 -0.47 0.89 2.01 0.16 -2.23 115.64 121.61 2k5g s THR 134 Ca 0.09 -1.32 -0.07 0.00 0.31 0.00 0.00 61.69 60.70 2k5g s THR 134 Cb -0.18 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.10 2k5g s THR 134 CO 0.12 -0.19 0.53 -1.14 -0.69 0.00 0.00 174.62 173.25 2k5g n ARG 135 N -1.39 -1.52 -3.96 4.92 0.63 -1.26 -1.31 116.66 112.76 2k5g n ARG 135 Ca -0.02 1.57 -0.34 0.00 -0.92 0.00 0.00 57.85 58.15 2k5g n ARG 135 Cb 0.59 -4.94 -0.14 0.00 0.45 0.00 0.00 32.46 28.43 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 -2.95 3.87 0.28 6.15 1.43 -1.26 -4.41 118.68 121.79 2k5g s LEU 136 Ca 0.10 -1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 51.79 2k5g s LEU 136 Cb -0.03 -1.66 0.41 0.00 0.03 0.00 0.00 46.19 44.94 2k5g s LEU 136 CO 0.62 -0.26 1.81 0.00 0.23 0.00 0.00 176.35 178.75 2k5g h ALA 137 N 7.90 1.20 -2.47 4.21 0.00 -1.95 -3.46 119.26 124.69 2k5g h ALA 137 Ca -0.19 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2k5g h ALA 137 Cb 1.05 -0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.48 2k5g h ALA 137 CO 0.52 0.54 0.06 0.34 0.00 0.00 0.00 179.25 180.70 2k5g s ASP 138 N -6.63 -0.47 0.55 0.00 2.15 -1.26 -5.02 116.67 105.99 2k5g s ASP 138 Ca -0.09 0.24 0.33 0.00 0.43 0.00 0.00 52.55 53.45 2k5g s ASP 138 Cb 0.15 0.50 1.49 0.00 -0.30 0.00 0.00 42.92 44.76 2k5g s ASP 138 CO 0.80 -0.72 1.84 0.03 -0.17 0.00 0.00 175.17 176.96 2k5g h ARG 139 N 2.78 0.00 -0.46 4.34 2.47 -1.93 0.59 114.38 122.17 2k5g h ARG 139 Ca -0.30 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.45 2k5g h ARG 139 Cb 1.21 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.49 2k5g h ARG 139 CO 0.41 0.00 0.24 0.00 0.56 0.00 0.00 179.97 181.17 2k5g h ALA 140 N 1.45 0.57 -0.15 0.04 0.00 -1.89 0.23 119.26 119.52 2k5g h ALA 140 Ca 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 2k5g h ALA 140 Cb 1.84 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2k5g h ALA 140 CO -0.00 -0.11 0.02 0.00 0.00 0.00 0.00 179.25 179.16 2k5g h ALA 141 N 1.23 0.20 -0.40 0.00 0.00 -1.20 0.77 119.26 119.87 2k5g h ALA 141 Ca 0.19 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2k5g h ALA 141 Cb 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 2k5g h ALA 141 CO -0.13 -0.14 -0.19 0.52 0.00 0.00 0.00 179.25 179.32 2k5g h MET 142 N 0.02 -0.11 -0.89 0.00 2.07 -1.31 0.19 114.93 114.91 2k5g h MET 142 Ca 0.04 0.01 0.10 0.00 -2.07 0.00 0.00 59.70 57.78 2k5g h MET 142 Cb 0.31 0.02 -0.06 0.00 -1.87 0.00 0.00 31.60 30.00 2k5g h MET 142 CO 0.00 -0.07 0.57 1.25 1.07 0.00 0.00 176.91 179.74 2k5g h LEU 143 N -0.11 0.80 -0.30 1.22 6.46 -0.18 0.50 115.31 123.70 2k5g h LEU 143 Ca 0.20 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.93 2k5g h LEU 143 Cb 0.41 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 2k5g h LEU 143 CO -0.47 0.47 -0.01 -0.78 -0.62 0.00 0.00 178.44 177.03 2k5g h ASP 144 N 0.88 0.53 0.53 1.25 3.58 0.18 -2.32 116.42 121.06 2k5g h ASP 144 Ca 0.41 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2k5g h ASP 144 Cb 0.40 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2k5g h ASP 144 CO -0.17 0.72 -0.30 1.33 -2.88 0.00 0.00 179.24 177.93 2k5g n VAL 145 N -4.56 0.00 -0.15 2.25 0.24 -0.58 -4.01 118.33 111.54 2k5g n VAL 145 Ca -0.03 -0.03 0.02 0.00 -2.04 0.00 0.00 64.34 62.27 2k5g n VAL 145 Cb 0.27 0.07 0.31 0.00 -1.47 0.00 0.00 33.84 33.02 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 3.21 1.57 -0.41 2.33 0.00 0.60 0.42 119.26 126.98 2k5g h ALA 146 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k5g h ALA 146 Cb 0.48 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k5g h ALA 146 CO 0.00 0.39 0.27 0.78 0.00 0.00 0.00 179.25 180.69 2k5g h GLY 147 N 0.84 0.58 0.00 0.00 0.00 -1.69 -3.40 103.07 99.40 2k5g h GLY 147 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2k5g h GLY 147 CO -0.06 0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.31 2k5g n GLY 148 N -1.46 1.17 5.00 4.60 0.00 0.12 -4.36 105.19 110.26 2k5g n GLY 148 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2k5g n GLY 148 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2k5g n TRP 149 N 0.00 0.00 -0.23 1.61 7.02 -1.13 -3.79 117.44 120.92 2k5g n TRP 149 Ca 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.52 2k5g n TRP 149 Cb 0.00 0.00 0.15 0.00 -2.42 0.00 0.00 31.31 29.04 2k5g n TRP 149 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2k5g h HIS 150 N 0.00 0.21 -0.90 -5.99 3.86 -1.84 0.51 115.15 111.00 2k5g h HIS 150 Ca 0.00 0.04 0.14 0.00 -1.16 0.00 0.00 60.37 59.39 2k5g h HIS 150 Cb 0.00 0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.41 2k5g h HIS 150 CO 0.00 -0.09 0.58 0.00 0.86 0.00 0.00 177.93 179.28 2k5g h ALA 151 N 1.58 1.81 0.00 2.45 0.00 -1.84 0.31 119.26 123.57 2k5g h ALA 151 Ca 0.38 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 2k5g h ALA 151 Cb 0.63 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k5g h ALA 151 CO -0.49 -0.05 -0.15 0.45 0.00 0.00 0.00 179.25 179.00 2k5g h HIS 152 N 0.71 0.00 0.00 0.00 -0.00 -1.19 -0.30 115.15 114.37 2k5g h HIS 152 Ca 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.78 2k5g h HIS 152 Cb 0.70 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.11 2k5g h HIS 152 CO -0.00 0.15 -0.20 -0.07 -0.00 0.00 0.00 177.93 177.81 2k5g h LEU 153 N 0.00 0.00 -0.04 2.43 3.38 -0.97 -0.78 115.31 119.34 2k5g h LEU 153 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2k5g h LEU 153 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 2k5g h LEU 153 CO 0.02 0.20 -0.63 0.00 0.09 0.00 0.00 178.44 178.11 2k5g h ALA 154 N 1.80 0.13 -0.42 1.53 0.00 -0.98 -0.71 119.26 120.62 2k5g h ALA 154 Ca -0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 2k5g h ALA 154 Cb 0.91 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2k5g h ALA 154 CO 0.03 0.42 -0.12 0.28 0.00 0.00 0.00 179.25 179.85 2k5g h VAL 155 N 0.06 1.27 0.45 0.00 2.07 -1.44 -0.86 116.25 117.80 2k5g h VAL 155 Ca -0.07 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 2k5g h VAL 155 Cb 1.31 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2k5g h VAL 155 CO 0.13 0.42 -0.41 0.25 0.02 0.00 0.00 177.57 177.97 2k5g h LEU 156 N 0.64 -1.12 -0.53 2.57 7.12 -1.15 0.51 115.31 123.36 2k5g h LEU 156 Ca 0.10 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.20 2k5g h LEU 156 Cb 0.66 0.37 -0.03 0.00 -0.53 0.00 0.00 40.66 41.13 2k5g h LEU 156 CO 0.04 -0.58 0.30 0.00 -0.13 0.00 0.00 178.44 178.08 2k5g h ALA 157 N -0.55 0.68 -0.85 1.25 0.00 -1.13 -0.38 119.26 118.28 2k5g h ALA 157 Ca -0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k5g h ALA 157 Cb 0.76 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2k5g h ALA 157 CO -0.04 0.18 0.53 0.78 0.00 0.00 0.00 179.25 180.69 2k5g h GLY 158 N 0.71 1.23 0.95 0.00 0.00 -1.04 0.83 103.07 105.75 2k5g h GLY 158 Ca 0.19 -0.50 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 2k5g h GLY 158 CO -0.03 0.48 -0.60 1.70 0.00 0.00 0.00 176.54 178.09 2k5g h LYS 159 N 1.17 0.58 0.00 4.80 3.64 -0.51 -2.21 116.57 124.05 2k5g h LYS 159 Ca 0.31 -0.49 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 2k5g h LYS 159 Cb -0.07 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2k5g h LYS 159 CO -0.06 1.12 -0.11 -0.07 -2.27 0.00 0.00 179.45 178.06 2k5g h LEU 160 N 0.20 0.00 0.00 5.20 3.38 -0.85 -0.50 115.31 122.74 2k5g h LEU 160 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k5g h LEU 160 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2k5g h LEU 160 CO 0.12 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.76 2k5g n ALA 161 N -2.35 2.49 -0.99 1.53 0.00 0.27 -4.83 120.51 116.62 2k5g n ALA 161 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2k5g n ALA 161 Cb 0.20 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.05 0.81 3.48 0.00 0.00 -0.20 -4.26 105.19 106.07 2k5g n GLY 162 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2k5g n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLN 163 N -2.38 0.71 -2.50 1.61 10.64 -0.85 -5.00 117.38 119.61 2k5g n GLN 163 Ca 0.00 -2.99 -0.38 0.00 -1.83 0.00 0.00 57.00 51.80 2k5g n GLN 163 Cb 0.00 0.10 -0.04 0.00 -0.86 0.00 0.00 30.24 29.44 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 -2.68 3.20 0.56 2.61 0.00 -1.26 -4.14 121.76 120.05 2k5g s ALA 164 Ca 0.40 0.79 -0.17 0.00 0.00 0.00 0.00 51.96 52.98 2k5g s ALA 164 Cb -0.03 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2k5g s ALA 164 CO 0.25 -0.22 1.04 -2.14 0.00 0.00 0.00 175.76 174.70 2k5g s PRO 165 N -2.10 3.48 0.61 0.00 0.02 -1.26 -4.82 135.00 130.94 2k5g s PRO 165 Ca 0.53 1.20 -0.16 0.00 0.02 0.00 0.00 61.00 62.59 2k5g s PRO 165 Cb -0.26 -2.06 -0.03 0.00 0.02 0.00 0.00 34.50 32.18 2k5g s PRO 165 CO 0.33 -0.68 1.08 -1.25 -0.33 0.00 0.00 177.00 176.15 2k5g s PRO 166 N -3.93 3.16 -0.17 5.54 0.04 -1.26 -4.94 135.00 133.45 2k5g s PRO 166 Ca 0.64 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 2k5g s PRO 166 Cb -0.15 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 2k5g s PRO 166 CO 0.33 -0.95 2.12 -0.35 0.04 0.00 0.00 177.00 178.20 2k5g n PRO 167 N -2.13 2.05 0.29 0.56 -0.04 -1.26 -4.77 135.00 129.70 2k5g n PRO 167 Ca 0.09 0.64 0.14 0.00 -0.04 0.00 0.00 63.50 64.33 2k5g n PRO 167 Cb 0.52 -2.99 0.85 0.00 -0.04 0.00 0.00 33.50 31.84 2k5g n PRO 167 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2k5g h PHE 168 N 12.93 0.00 0.56 0.54 3.04 -1.91 -2.83 116.94 129.27 2k5g h PHE 168 Ca -0.42 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.51 2k5g h PHE 168 Cb 1.26 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.76 2k5g h PHE 168 CO 0.94 0.02 -0.34 2.35 -2.02 0.00 0.00 178.31 179.26 2k5g h TRP 169 N 0.00 -0.89 0.05 0.41 7.01 -1.95 -1.65 115.95 118.92 2k5g h TRP 169 Ca -0.00 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 2k5g h TRP 169 Cb 0.05 0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 2k5g h TRP 169 CO 0.00 -0.51 -0.02 1.15 -2.79 0.00 0.00 178.44 176.26 2k5g h THR 170 N -0.84 1.13 0.00 2.65 2.02 -1.90 -2.83 112.91 113.13 2k5g h THR 170 Ca -0.07 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 2k5g h THR 170 Cb 0.68 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 2k5g h THR 170 CO 0.07 0.14 -0.21 0.00 0.37 0.00 0.00 175.52 175.90 2k5g h THR 171 N -0.31 1.10 0.85 3.16 1.03 -1.59 -1.22 112.91 115.93 2k5g h THR 171 Ca -0.01 -0.72 -0.04 0.00 -0.01 0.00 0.00 66.41 65.64 2k5g h THR 171 Cb 0.28 1.39 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 2k5g h THR 171 CO 0.01 0.20 -0.45 0.25 -0.01 0.00 0.00 175.52 175.53 2k5g h LEU 172 N 0.00 -1.08 -0.62 0.00 5.85 -1.10 -0.47 115.31 117.90 2k5g h LEU 172 Ca -0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2k5g h LEU 172 Cb 0.38 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2k5g h LEU 172 CO 0.03 -0.73 0.25 0.00 -0.34 0.00 0.00 178.44 177.64 2k5g h ALA 173 N -1.07 0.80 -0.67 1.25 0.00 -1.26 -1.31 119.26 117.00 2k5g h ALA 173 Ca -0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2k5g h ALA 173 Cb 0.93 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2k5g h ALA 173 CO 0.17 0.41 0.25 0.37 0.00 0.00 0.00 179.25 180.45 2k5g h GLN 174 N 0.86 1.01 -0.18 0.00 5.75 -1.23 -0.10 115.11 121.21 2k5g h GLN 174 Ca 0.21 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 2k5g h GLN 174 Cb 0.20 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 2k5g h GLN 174 CO -0.02 0.85 -0.02 0.00 -2.65 0.00 0.00 178.83 176.99 2k5g h ALA 175 N 1.11 0.25 -0.30 3.38 0.00 -0.85 0.53 119.26 123.38 2k5g h ALA 175 Ca 0.22 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2k5g h ALA 175 Cb 0.23 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2k5g h ALA 175 CO -0.01 -0.01 -0.21 0.93 0.00 0.00 0.00 179.25 179.95 2k5g h GLU 176 N 0.07 -0.18 -0.25 0.00 4.39 -1.07 -1.40 114.58 116.15 2k5g h GLU 176 Ca 0.05 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 2k5g h GLU 176 Cb 0.44 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2k5g h GLU 176 CO 0.01 -0.12 -0.17 1.96 -1.16 0.00 0.00 179.01 179.54 2k5g h GLN 177 N -0.18 0.55 -0.34 2.33 1.08 -0.92 -0.17 115.11 117.45 2k5g h GLN 177 Ca 0.16 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 2k5g h GLN 177 Cb 0.42 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2k5g h GLN 177 CO -0.41 0.84 0.10 0.22 -0.95 0.00 0.00 178.83 178.63 2k5g h ASP 178 N 0.26 0.51 0.25 1.46 3.58 -0.74 0.68 116.42 122.42 2k5g h ASP 178 Ca 0.05 -0.22 -0.17 0.00 0.42 0.00 0.00 57.03 57.11 2k5g h ASP 178 Cb 0.70 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 2k5g h ASP 178 CO 0.05 0.59 -0.66 1.88 -2.88 0.00 0.00 179.24 178.22 2k5g h TYR 179 N 0.40 0.50 -0.88 0.28 0.05 -1.30 -1.69 116.97 114.33 2k5g h TYR 179 Ca 0.11 -0.20 0.04 0.00 0.05 0.00 0.00 58.73 58.73 2k5g h TYR 179 Cb 0.27 -0.08 -0.06 0.00 1.01 0.00 0.00 36.73 37.88 2k5g h TYR 179 CO 0.01 0.93 0.56 1.49 -1.05 0.00 0.00 178.16 180.10 2k5g h GLU 180 N 0.27 1.03 -0.51 4.88 4.22 -0.74 0.25 114.58 123.99 2k5g h GLU 180 Ca -0.02 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.28 2k5g h GLU 180 Cb 1.21 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2k5g h GLU 180 CO 0.11 0.68 -0.00 0.37 -2.18 0.00 0.00 179.01 177.99 2k5g h GLN 181 N 1.06 0.90 0.19 1.92 4.15 -0.61 -3.02 115.11 119.70 2k5g h GLN 181 Ca 0.36 -0.29 -0.31 0.00 0.77 0.00 0.00 58.65 59.18 2k5g h GLN 181 Cb 0.06 -0.08 0.03 0.00 0.21 0.00 0.00 27.48 27.70 2k5g h GLN 181 CO -0.14 0.92 -1.36 0.00 -1.93 0.00 0.00 178.83 176.33 2k5g h ARG 182 N 0.76 0.50 -0.07 1.69 2.47 -0.82 -3.36 114.38 115.54 2k5g h ARG 182 Ca 0.14 -0.79 -0.16 0.00 -1.26 0.00 0.00 59.98 57.92 2k5g h ARG 182 Cb 0.52 0.29 0.01 0.00 -1.65 0.00 0.00 29.97 29.14 2k5g h ARG 182 CO 0.03 1.37 -0.56 1.25 0.56 0.00 0.00 179.97 182.62 2k5g h LEU 183 N 0.16 0.62 -1.61 3.04 7.12 -0.59 -3.50 115.31 120.55 2k5g h LEU 183 Ca -0.21 -0.68 0.00 0.00 0.13 0.00 0.00 57.88 57.13 2k5g h LEU 183 Cb 2.05 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 42.00 2k5g h LEU 183 CO 0.25 1.20 -0.48 -0.11 -0.13 0.00 0.00 178.44 179.16 2k5g n LEU 184 N -4.20 -4.20 -0.33 2.25 7.94 -1.14 -5.03 117.00 112.28 2k5g n LEU 184 Ca -0.09 1.51 0.01 0.00 -1.11 0.00 0.00 56.01 56.34 2k5g n LEU 184 Cb 0.63 -2.10 -0.01 0.00 0.53 0.00 0.00 43.42 42.48 2k5g n LEU 184 CO 0.47 -1.21 -0.11 1.21 -1.11 0.00 0.00 177.39 176.63 2k5g n GLU 185 N 0.93 -0.83 0.00 1.96 0.00 -1.26 -5.04 120.64 116.39 2k5g n GLU 185 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 57.16 57.82 2k5g n GLU 185 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 31.44 30.59 2k5g n GLU 185 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2k5g n HIS 186 N -1.97 0.00 -1.01 4.31 -0.00 -1.26 -4.86 115.22 110.43 2k5g n HIS 186 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 2k5g n HIS 186 Cb 0.12 0.09 -0.04 0.00 -0.00 0.00 0.00 29.99 30.15 2k5g n HIS 186 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5g n HIS 187 N -1.93 -2.59 -3.70 1.57 8.25 -1.26 -4.65 115.22 110.91 2k5g n HIS 187 Ca 0.00 1.34 -0.14 0.00 -0.26 0.00 0.00 57.72 58.66 2k5g n HIS 187 Cb 0.11 -2.36 -0.09 0.00 1.12 0.00 0.00 29.99 28.78 2k5g n HIS 187 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k5g s HIS 188 N -2.51 -0.47 -0.10 4.41 -3.43 -1.26 -5.09 115.29 106.85 2k5g s HIS 188 Ca 0.00 1.06 0.04 0.00 -0.80 0.00 0.00 55.06 55.36 2k5g s HIS 188 Cb 0.00 0.19 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 2k5g s HIS 188 CO 0.00 -0.32 -0.22 -1.01 -2.00 0.00 0.00 174.74 171.19 2k5g s HIS 189 N -0.21 2.41 -0.09 0.38 3.76 -1.26 -5.11 115.29 115.16 2k5g s HIS 189 Ca -0.04 -1.00 0.04 0.00 -0.15 0.00 0.00 55.06 53.91 2k5g s HIS 189 Cb -0.03 -1.63 -0.00 0.00 1.11 0.00 0.00 32.58 32.03 2k5g s HIS 189 CO 0.02 -0.42 -0.24 -1.58 -0.85 0.00 0.00 174.74 171.68 2k5g s HIS 190 N 0.43 2.55 -2.02 1.40 5.04 -1.26 -4.81 115.29 116.61 2k5g s HIS 190 Ca -0.17 -0.95 0.32 0.00 -1.54 0.00 0.00 55.06 52.72 2k5g s HIS 190 Cb -0.17 -1.69 1.88 0.00 0.04 0.00 0.00 32.58 32.63 2k5g s HIS 190 CO 0.07 -0.36 2.21 -2.39 -2.34 0.00 0.00 174.74 171.94