#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 -0.01 -0.64 1.12 2.01 -1.26 -4.90 115.64 111.97 2k5g s THR 2 Ca 0.00 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.08 2k5g s THR 2 Cb 0.00 -0.58 0.20 0.00 0.01 0.00 0.00 72.50 72.13 2k5g s THR 2 CO 0.00 0.01 0.56 -0.24 -0.69 0.00 0.00 174.62 174.27 2k5g n SER 3 N 3.30 2.77 -4.41 3.53 2.88 -1.26 -5.05 113.62 115.38 2k5g n SER 3 Ca -0.16 -3.18 -0.43 0.00 -1.33 0.00 0.00 58.87 53.76 2k5g n SER 3 Cb 0.57 -0.70 -0.09 0.00 -0.75 0.00 0.00 64.21 63.23 2k5g n SER 3 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2k5g s PRO 4 N -1.64 2.94 0.05 -1.46 0.04 -1.26 -4.93 135.00 128.74 2k5g s PRO 4 Ca 0.31 -1.18 -0.13 0.00 0.04 0.00 0.00 61.00 60.05 2k5g s PRO 4 Cb 0.04 -4.00 -0.31 0.00 0.04 0.00 0.00 34.50 30.27 2k5g s PRO 4 CO -0.12 -0.86 1.08 0.77 0.04 0.00 0.00 177.00 177.90 2k5g h SER 5 N 8.64 0.76 -2.74 6.66 0.02 -1.96 -3.45 113.55 121.48 2k5g h SER 5 Ca -0.27 -0.77 -0.66 0.00 -0.84 0.00 0.00 61.79 59.26 2k5g h SER 5 Cb 1.11 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 63.34 2k5g h SER 5 CO 0.78 1.59 -0.43 -0.94 -1.14 0.00 0.00 176.83 176.69 2k5g s SER 6 N -7.43 6.45 -0.36 3.07 1.04 -1.26 -5.07 113.70 110.14 2k5g s SER 6 Ca -0.08 0.54 0.03 0.00 0.48 0.00 0.00 55.95 56.92 2k5g s SER 6 Cb 0.05 -2.10 0.11 0.00 0.10 0.00 0.00 66.02 64.18 2k5g s SER 6 CO 0.93 0.38 0.10 0.00 0.98 0.00 0.00 173.24 175.63 2k5g s ALA 7 N -0.95 2.58 0.02 5.32 0.00 -1.25 -3.29 121.76 124.19 2k5g s ALA 7 Ca 0.16 -2.43 -0.10 0.00 0.00 0.00 0.00 51.96 49.59 2k5g s ALA 7 Cb -0.13 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.09 2k5g s ALA 7 CO 0.05 -1.75 0.20 -0.59 0.00 0.00 0.00 175.76 173.67 2k5g s PHE 8 N 0.88 0.01 0.06 0.00 -0.71 -0.47 -4.98 117.98 112.77 2k5g s PHE 8 Ca 0.12 -0.15 -0.31 0.00 -1.04 0.00 0.00 56.93 55.56 2k5g s PHE 8 Cb -0.20 -0.02 -0.08 0.00 -1.21 0.00 0.00 43.02 41.52 2k5g s PHE 8 CO -0.10 -0.38 1.60 -1.25 -1.34 0.00 0.00 175.22 173.74 2k5g s PRO 9 N -2.00 4.22 0.14 1.99 0.04 -1.26 -4.68 135.00 133.44 2k5g s PRO 9 Ca -0.09 2.26 0.17 0.00 0.04 0.00 0.00 61.00 63.37 2k5g s PRO 9 Cb -0.04 -3.57 -0.07 0.00 0.04 0.00 0.00 34.50 30.87 2k5g s PRO 9 CO -0.01 -0.69 1.03 0.38 0.04 0.00 0.00 177.00 177.75 2k5g h ASP 10 N 8.14 0.00 -3.08 6.66 2.03 -1.92 -3.50 116.42 124.76 2k5g h ASP 10 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 2k5g h ASP 10 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2k5g h ASP 10 CO 0.92 0.52 0.00 0.61 -1.03 0.00 0.00 179.24 180.26 2k5g n GLY 11 N 1.33 3.20 2.89 7.15 0.00 -1.26 -4.77 105.19 113.73 2k5g n GLY 11 Ca -0.05 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 2k5g n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k5g s HIS 12 N -2.00 -0.90 0.06 1.61 2.46 -1.26 -5.13 115.29 110.13 2k5g s HIS 12 Ca 0.00 0.17 -0.05 0.00 0.47 0.00 0.00 55.06 55.65 2k5g s HIS 12 Cb 0.00 -0.21 -0.02 0.00 -0.13 0.00 0.00 32.58 32.23 2k5g s HIS 12 CO 0.00 -0.98 0.10 0.20 -2.47 0.00 0.00 174.74 171.58 2k5g s GLY 13 N 2.43 0.23 0.11 1.59 0.00 -1.26 -5.17 107.32 105.25 2k5g s GLY 13 Ca 0.10 -0.78 -0.05 0.00 0.00 0.00 0.00 44.72 44.00 2k5g s GLY 13 CO -0.28 -0.93 0.12 0.00 0.00 0.00 0.00 173.10 172.01 2k5g s ALA 14 N -3.53 0.33 0.06 3.20 0.00 -1.26 -5.17 121.76 115.39 2k5g s ALA 14 Ca 0.03 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 50.98 2k5g s ALA 14 Cb 0.04 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 2k5g s ALA 14 CO -0.09 -0.50 -0.19 1.03 0.00 0.00 0.00 175.76 176.01 2k5g s ARG 15 N -3.96 1.18 -0.26 0.00 0.52 -1.26 -5.07 118.95 110.11 2k5g s ARG 15 Ca 0.14 -0.94 -0.15 0.00 -0.52 0.00 0.00 55.73 54.26 2k5g s ARG 15 Cb 0.06 -1.30 -0.11 0.00 0.52 0.00 0.00 34.95 34.12 2k5g s ARG 15 CO -0.04 0.32 -0.31 -0.11 0.02 0.00 0.00 175.30 175.18 2k5g n LEU 16 N 1.67 1.95 -3.81 2.53 7.94 -1.26 -4.86 117.00 121.15 2k5g n LEU 16 Ca -0.18 0.35 -0.13 0.00 -1.11 0.00 0.00 56.01 54.94 2k5g n LEU 16 Cb 0.54 -0.82 -0.14 0.00 0.53 0.00 0.00 43.42 43.53 2k5g n LEU 16 CO 0.23 0.40 -0.30 -0.62 -1.11 0.00 0.00 177.39 175.99 2k5g s ASP 17 N -7.17 -0.04 0.17 1.96 2.15 -1.26 -4.38 116.67 108.10 2k5g s ASP 17 Ca -0.36 0.13 -0.24 0.00 0.43 0.00 0.00 52.55 52.51 2k5g s ASP 17 Cb 0.12 0.09 0.06 0.00 -0.30 0.00 0.00 42.92 42.89 2k5g s ASP 17 CO 0.48 -0.07 0.87 0.00 -0.17 0.00 0.00 175.17 176.28 2k5g s ALA 18 N 0.48 -1.57 -0.78 3.66 0.00 -1.26 -5.02 121.76 117.28 2k5g s ALA 18 Ca -0.04 0.15 0.26 0.00 0.00 0.00 0.00 51.96 52.34 2k5g s ALA 18 Cb -0.05 0.68 0.85 0.00 0.00 0.00 0.00 23.12 24.59 2k5g s ALA 18 CO -0.02 -0.98 1.76 1.04 0.00 0.00 0.00 175.76 177.56 2k5g n GLN 19 N -0.44 0.21 -3.86 0.00 6.02 -1.26 -4.90 117.38 113.16 2k5g n GLN 19 Ca -0.07 0.16 -0.14 0.00 -0.01 0.00 0.00 57.00 56.95 2k5g n GLN 19 Cb 0.61 -1.74 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 2k5g n GLN 19 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2k5g n SER 20 N -2.10 -1.23 -4.55 1.08 3.41 -1.26 -4.91 113.62 104.06 2k5g n SER 20 Ca 0.06 -2.81 -0.38 0.00 -0.26 0.00 0.00 58.87 55.48 2k5g n SER 20 Cb 0.41 2.32 -0.11 0.00 -0.26 0.00 0.00 64.21 66.57 2k5g n SER 20 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2k5g s ILE 21 N -2.83 5.10 -0.20 -1.33 -1.09 -1.19 -4.99 121.20 114.66 2k5g s ILE 21 Ca 0.28 0.06 -0.06 0.00 -2.23 0.00 0.00 60.65 58.71 2k5g s ILE 21 Cb -0.01 -3.44 0.10 0.00 -1.58 0.00 0.00 42.46 37.53 2k5g s ILE 21 CO 0.20 0.24 0.39 0.00 -1.23 0.00 0.00 174.94 174.55 2k5g s ARG 22 N 1.73 0.31 -0.12 2.79 1.70 -1.24 0.47 118.95 124.59 2k5g s ARG 22 Ca 0.07 0.89 -0.03 0.00 -0.47 0.00 0.00 55.73 56.19 2k5g s ARG 22 Cb -0.16 0.11 0.04 0.00 -0.57 0.00 0.00 34.95 34.37 2k5g s ARG 22 CO 0.09 -0.34 0.05 -0.06 -1.08 0.00 0.00 175.30 173.96 2k5g s PHE 23 N 2.58 0.49 -0.20 5.89 0.08 -0.82 -4.95 117.98 121.03 2k5g s PHE 23 Ca 0.02 -0.26 -0.09 0.00 0.12 0.00 0.00 56.93 56.72 2k5g s PHE 23 Cb -0.13 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.53 2k5g s PHE 23 CO -0.13 -0.41 0.10 -1.83 -0.10 0.00 0.00 175.22 172.85 2k5g s GLU 24 N 2.03 4.04 0.05 0.44 -1.05 -1.26 -0.54 118.70 122.42 2k5g s GLU 24 Ca 0.03 -0.30 0.03 0.00 -0.15 0.00 0.00 54.97 54.58 2k5g s GLU 24 Cb -0.14 -3.34 -0.03 0.00 -0.44 0.00 0.00 34.13 30.18 2k5g s GLU 24 CO -0.06 0.21 -0.10 0.50 0.95 0.00 0.00 175.26 176.76 2k5g s ARG 25 N 0.58 0.64 -0.13 -4.83 3.52 0.23 -4.96 118.95 114.00 2k5g s ARG 25 Ca 0.05 -0.81 -0.17 0.00 -0.13 0.00 0.00 55.73 54.67 2k5g s ARG 25 Cb -0.12 -0.50 -0.04 0.00 -1.56 0.00 0.00 34.95 32.72 2k5g s ARG 25 CO 0.01 0.10 0.42 -1.17 -0.81 0.00 0.00 175.30 173.85 2k5g s LEU 26 N -1.59 4.27 0.12 -0.88 1.98 -1.26 -1.26 118.68 120.07 2k5g s LEU 26 Ca -0.07 0.73 0.05 0.00 -2.89 0.00 0.00 54.13 51.95 2k5g s LEU 26 Cb -0.10 -2.60 -0.04 0.00 0.66 0.00 0.00 46.19 44.11 2k5g s LEU 26 CO 0.01 0.03 -0.12 -0.76 -1.89 0.00 0.00 176.35 173.62 2k5g s LEU 27 N 0.56 2.44 0.39 -0.68 1.43 0.60 -4.90 118.68 118.51 2k5g s LEU 27 Ca 0.23 -0.86 -0.22 0.00 -1.03 0.00 0.00 54.13 52.26 2k5g s LEU 27 Cb -0.14 -0.46 -0.10 0.00 0.03 0.00 0.00 46.19 45.51 2k5g s LEU 27 CO 0.08 -0.21 0.92 -2.16 0.23 0.00 0.00 176.35 175.21 2k5g s PRO 28 N -2.95 4.30 0.00 1.29 0.05 -1.26 0.14 135.00 136.57 2k5g s PRO 28 Ca 0.10 1.12 0.00 0.00 0.05 0.00 0.00 61.00 62.27 2k5g s PRO 28 Cb -0.03 -2.38 0.00 0.00 0.05 0.00 0.00 34.50 32.14 2k5g s PRO 28 CO 0.02 0.08 0.00 0.41 0.05 0.00 0.00 177.00 177.56 2k5g n GLY 29 N -0.27 2.54 0.24 0.56 0.00 -1.25 -4.22 105.19 102.80 2k5g n GLY 29 Ca 0.05 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.51 0.00 1.61 0.13 -1.85 -2.88 132.00 128.50 2k5g h PRO 30 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2k5g h PRO 30 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2k5g h PRO 30 CO 0.00 -0.20 0.00 1.51 -0.23 0.00 0.00 178.00 179.08 2k5g n ILE 31 N -5.19 0.00 0.23 -3.56 3.06 -1.26 -4.27 119.36 108.37 2k5g n ILE 31 Ca -0.10 0.00 0.08 0.00 -2.50 0.00 0.00 62.75 60.24 2k5g n ILE 31 Cb 0.28 0.00 0.54 0.00 0.54 0.00 0.00 39.64 41.00 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 0.00 0.56 9.51 3.07 -1.92 -2.69 114.58 123.10 2k5g h GLU 32 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 2k5g h GLU 32 Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2k5g h GLU 32 CO 0.00 0.23 -0.27 -0.09 -1.40 0.00 0.00 179.01 177.49 2k5g h ARG 33 N 0.00 -0.72 -0.32 2.33 9.65 -1.92 -2.33 114.38 121.08 2k5g h ARG 33 Ca -0.00 0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 2k5g h ARG 33 Cb 0.54 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.26 2k5g h ARG 33 CO 0.03 -0.47 -0.00 0.28 2.80 0.00 0.00 179.97 182.61 2k5g h VAL 34 N -0.77 1.19 -0.53 0.20 2.07 -1.71 -2.74 116.25 113.95 2k5g h VAL 34 Ca -0.08 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2k5g h VAL 34 Cb 0.58 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2k5g h VAL 34 CO 0.13 0.26 0.23 -0.25 0.02 0.00 0.00 177.57 177.95 2k5g h TRP 35 N 0.47 0.75 -0.80 1.57 2.91 -1.22 -2.87 115.95 116.76 2k5g h TRP 35 Ca 0.10 -0.03 0.15 0.00 1.13 0.00 0.00 58.89 60.24 2k5g h TRP 35 Cb 0.31 -0.24 -0.10 0.00 -0.51 0.00 0.00 29.16 28.63 2k5g h TRP 35 CO 0.01 0.57 0.37 0.00 -1.03 0.00 0.00 178.44 178.36 2k5g h ALA 36 N 1.50 1.17 0.00 2.65 0.00 -1.10 0.24 119.26 123.73 2k5g h ALA 36 Ca 0.19 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2k5g h ALA 36 Cb 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k5g h ALA 36 CO -0.02 -0.16 -0.25 -1.49 0.00 0.00 0.00 179.25 177.33 2k5g h TRP 37 N 0.53 0.00 0.05 0.00 6.55 -1.66 0.13 115.95 121.56 2k5g h TRP 37 Ca 0.44 0.00 -0.26 0.00 0.95 0.00 0.00 58.89 60.02 2k5g h TRP 37 Cb 0.65 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.93 2k5g h TRP 37 CO -0.13 0.25 -1.31 -0.07 -1.05 0.00 0.00 178.44 176.13 2k5g h LEU 38 N 0.00 0.18 0.00 -4.49 3.38 -0.69 -3.38 115.31 110.31 2k5g h LEU 38 Ca -0.00 -0.23 -0.35 0.00 0.09 0.00 0.00 57.88 57.39 2k5g h LEU 38 Cb 0.68 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 2k5g h LEU 38 CO 0.03 1.19 -1.89 0.00 0.09 0.00 0.00 178.44 177.86 2k5g n ALA 39 N -2.51 0.99 -1.72 1.53 0.00 0.25 -4.85 120.51 114.20 2k5g n ALA 39 Ca -0.09 -0.78 -0.41 0.00 0.00 0.00 0.00 53.44 52.16 2k5g n ALA 39 Cb 1.00 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 20.18 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 -7.14 5.31 0.47 0.00 2.15 0.44 -4.81 116.67 113.09 2k5g s ASP 40 Ca -0.33 1.46 0.32 0.00 0.43 0.00 0.00 52.55 54.42 2k5g s ASP 40 Cb 0.10 -2.51 1.58 0.00 -0.30 0.00 0.00 42.92 41.79 2k5g s ASP 40 CO 0.55 -2.14 1.97 0.00 -0.17 0.00 0.00 175.17 175.38 2k5g h ALA 41 N 15.55 1.00 0.00 3.66 0.00 -1.88 -0.85 119.26 136.74 2k5g h ALA 41 Ca -0.34 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k5g h ALA 41 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k5g h ALA 41 CO 1.04 0.00 -0.04 0.22 0.00 0.00 0.00 179.25 180.47 2k5g h ASP 42 N 0.00 0.00 0.36 0.00 3.58 -1.96 -2.22 116.42 116.17 2k5g h ASP 42 Ca 0.00 -0.33 -0.13 0.00 0.42 0.00 0.00 57.03 56.99 2k5g h ASP 42 Cb 0.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2k5g h ASP 42 CO 0.00 0.69 -0.53 0.07 -2.88 0.00 0.00 179.24 176.59 2k5g h LYS 43 N -1.00 0.19 -0.47 0.28 2.10 -1.89 -2.68 116.57 113.10 2k5g h LYS 43 Ca -0.01 -0.11 -0.06 0.00 -2.00 0.00 0.00 60.65 58.47 2k5g h LYS 43 Cb 0.36 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.68 2k5g h LYS 43 CO -0.00 0.67 0.04 -0.09 -2.00 0.00 0.00 179.45 178.07 2k5g h ARG 44 N 0.15 0.76 0.00 0.07 2.43 -1.28 -1.88 114.38 114.63 2k5g h ARG 44 Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2k5g h ARG 44 Cb 0.98 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2k5g h ARG 44 CO 0.08 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.28 2k5g n ALA 45 N -2.47 1.26 0.66 2.80 0.00 -0.83 0.82 120.51 122.74 2k5g n ALA 45 Ca 0.03 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.54 2k5g n ALA 45 Cb 0.27 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.47 0.71 0.00 0.00 5.12 -0.71 -3.88 116.66 116.43 2k5g n ARG 46 Ca 0.01 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2k5g n ARG 46 Cb 0.06 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 2k5g n ARG 46 CO 0.00 0.00 0.00 -2.67 -1.93 0.00 0.00 177.63 173.03 2k5g n TRP 47 N -1.64 0.00 0.00 -1.55 4.27 -0.41 -4.84 117.44 113.27 2k5g n TRP 47 Ca 0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.63 2k5g n TRP 47 Cb 0.35 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.30 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 -0.64 0.00 0.00 5.67 -0.00 0.24 -4.86 117.00 117.42 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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2k5g n LEU 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 2k5g n ALA 49 N -0.36 -0.40 -1.00 1.96 0.00 0.13 -4.92 120.51 115.92 2k5g n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k5g n ALA 49 Cb 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2k5g n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 50 N -1.40 0.34 0.08 0.00 0.00 -1.26 -4.14 105.19 98.81 2k5g n GLY 50 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2k5g n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 51 N 4.40 0.76 3.70 -0.02 0.00 -1.26 -4.59 105.19 108.18 2k5g n GLY 51 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.04 -0.16 0.05 1.61 4.04 -1.26 -4.90 118.70 116.03 2k5g s GLU 52 Ca 0.00 0.06 -0.16 0.00 0.04 0.00 0.00 54.97 54.91 2k5g s GLU 52 Cb 0.00 -1.71 -0.06 0.00 0.02 0.00 0.00 34.13 32.38 2k5g s GLU 52 CO 0.00 -3.03 0.47 -0.51 -1.84 0.00 0.00 175.26 170.36 2k5g s LEU 53 N -6.51 4.47 0.95 1.83 1.43 -1.26 -4.80 118.68 114.79 2k5g s LEU 53 Ca 0.69 1.06 -0.15 0.00 -1.03 0.00 0.00 54.13 54.70 2k5g s LEU 53 Cb -0.12 -2.79 0.20 0.00 0.03 0.00 0.00 46.19 43.51 2k5g s LEU 53 CO 0.55 0.27 1.30 -2.16 0.23 0.00 0.00 176.35 176.55 2k5g s PRO 54 N -1.25 0.66 0.12 1.29 0.04 -1.26 -5.02 135.00 129.57 2k5g s PRO 54 Ca 0.28 -0.50 0.21 0.00 0.04 0.00 0.00 61.00 61.03 2k5g s PRO 54 Cb -0.17 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 2k5g s PRO 54 CO 0.16 -2.38 0.86 0.54 0.04 0.00 0.00 177.00 176.22 2k5g n ARG 55 N -3.71 0.62 -3.91 4.56 5.12 -1.26 -4.88 116.66 113.19 2k5g n ARG 55 Ca 0.16 0.06 -0.34 0.00 -1.93 0.00 0.00 57.85 55.80 2k5g n ARG 55 Cb 0.59 -1.75 -0.05 0.00 -1.16 0.00 0.00 32.46 30.09 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 -3.31 3.41 -0.38 5.56 -0.21 -1.26 -5.07 119.66 118.40 2k5g s GLN 56 Ca -0.03 -0.29 -0.28 0.00 0.02 0.00 0.00 55.36 54.78 2k5g s GLN 56 Cb 0.10 -3.10 0.02 0.00 1.00 0.00 0.00 33.01 31.03 2k5g s GLN 56 CO 0.82 0.70 1.06 -1.25 -2.12 0.00 0.00 175.29 174.50 2k5g s PRO 57 N -1.71 3.91 0.00 2.91 0.04 -1.26 -3.26 135.00 135.64 2k5g s PRO 57 Ca 0.24 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2k5g s PRO 57 Cb -0.12 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2k5g s PRO 57 CO 0.15 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.54 2k5g n GLY 58 N 4.28 1.03 3.82 0.56 0.00 -1.26 -5.10 105.19 108.52 2k5g n GLY 58 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.26 3.70 -0.03 1.61 -0.21 -1.20 -4.76 119.66 118.51 2k5g s GLN 59 Ca 0.00 1.07 -0.10 0.00 0.02 0.00 0.00 55.36 56.35 2k5g s GLN 59 Cb 0.00 -2.09 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 2k5g s GLN 59 CO 0.00 -0.49 0.29 0.95 -2.12 0.00 0.00 175.29 173.92 2k5g s THR 60 N -2.53 5.25 0.18 -0.19 -4.23 -1.26 -2.97 115.64 109.89 2k5g s THR 60 Ca 0.61 0.44 0.08 0.00 -1.18 0.00 0.00 61.69 61.64 2k5g s THR 60 Cb -0.13 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 2k5g s THR 60 CO 0.33 0.51 -0.04 0.72 -0.54 0.00 0.00 174.62 175.59 2k5g s PHE 61 N -1.15 2.75 -0.23 3.99 -0.12 -0.14 -4.79 117.98 118.29 2k5g s PHE 61 Ca 0.23 -0.18 -0.06 0.00 -0.05 0.00 0.00 56.93 56.87 2k5g s PHE 61 Cb -0.14 -1.33 -0.03 0.00 -0.63 0.00 0.00 43.02 40.89 2k5g s PHE 61 CO 0.12 0.52 0.04 -1.21 -0.05 0.00 0.00 175.22 174.63 2k5g s GLU 62 N -2.89 3.62 0.45 1.99 8.01 -1.26 -0.04 118.70 128.58 2k5g s GLU 62 Ca 0.26 -0.50 0.07 0.00 0.01 0.00 0.00 54.97 54.81 2k5g s GLU 62 Cb -0.09 -3.21 -0.00 0.00 -4.31 0.00 0.00 34.13 26.52 2k5g s GLU 62 CO 0.17 -0.11 0.41 -0.48 0.01 0.00 0.00 175.26 175.26 2k5g s LEU 63 N 1.37 3.22 -0.07 1.80 0.05 -1.05 -4.15 118.68 119.86 2k5g s LEU 63 Ca 0.05 -0.86 -0.03 0.00 0.05 0.00 0.00 54.13 53.34 2k5g s LEU 63 Cb -0.15 -1.83 0.04 0.00 -2.05 0.00 0.00 46.19 42.20 2k5g s LEU 63 CO 0.02 -0.79 0.09 -2.28 -0.55 0.00 0.00 176.35 172.84 2k5g s HIS 64 N -2.55 0.02 0.00 3.48 2.46 -1.26 -2.53 115.29 114.91 2k5g s HIS 64 Ca 0.46 0.26 0.00 0.00 0.47 0.00 0.00 55.06 56.25 2k5g s HIS 64 Cb -0.03 -0.46 0.00 0.00 -0.13 0.00 0.00 32.58 31.96 2k5g s HIS 64 CO 0.27 -0.26 0.00 1.19 -2.47 0.00 0.00 174.74 173.47 2k5g n PHE 65 N 5.30 -1.90 -1.37 3.88 3.01 -0.44 -4.47 117.46 121.47 2k5g n PHE 65 Ca -0.04 0.00 -0.54 0.00 1.01 0.00 0.00 57.45 57.88 2k5g n PHE 65 Cb 0.50 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.88 2k5g n PHE 65 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2k5g n ASN 66 N -2.66 1.62 -0.35 4.37 5.15 -0.91 -4.62 115.26 117.85 2k5g n ASN 66 Ca 0.00 0.52 0.05 0.00 -0.60 0.00 0.00 54.58 54.54 2k5g n ASN 66 Cb 0.00 -1.13 0.07 0.00 -0.53 0.00 0.00 39.78 38.19 2k5g n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k5g n HIS 67 N 8.95 0.00 -0.04 1.20 1.44 -1.26 -4.18 115.22 121.33 2k5g n HIS 67 Ca 0.46 -0.48 -0.06 0.00 -2.01 0.00 0.00 57.72 55.64 2k5g n HIS 67 Cb 0.13 -0.10 -0.04 0.00 0.12 0.00 0.00 29.99 30.10 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k5g n ALA 68 N -0.63 1.82 -2.57 1.59 0.00 -1.26 -5.03 120.51 114.43 2k5g n ALA 68 Ca 0.08 -0.38 -0.21 0.00 0.00 0.00 0.00 53.44 52.92 2k5g n ALA 68 Cb 0.69 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.41 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 -2.67 -0.71 0.11 0.00 0.00 -1.26 -4.86 120.51 111.13 2k5g n ALA 69 Ca -0.15 0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.53 2k5g n ALA 69 Cb 0.67 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.46 2k5g n ALA 69 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2k5g h LEU 70 N -0.40 0.00 -9.03 0.00 -0.00 -1.96 -3.44 115.31 100.49 2k5g h LEU 70 Ca -0.50 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 56.90 2k5g h LEU 70 Cb 1.36 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.88 2k5g h LEU 70 CO 0.57 0.45 -0.71 0.42 -0.00 0.00 0.00 178.44 179.17 2k5g s THR 71 N -3.00 1.77 0.00 0.15 -4.23 -1.26 -4.90 115.64 104.17 2k5g s THR 71 Ca 0.02 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 2k5g s THR 71 Cb 0.08 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.67 2k5g s THR 71 CO 0.76 -0.45 0.00 0.00 -0.54 0.00 0.00 174.62 174.40 2k5g n ALA 72 N -0.49 0.00 -0.65 3.99 0.00 -1.23 -4.86 120.51 117.27 2k5g n ALA 72 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k5g n ALA 72 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 0.00 -3.95 0.00 1.02 -1.26 -4.59 120.64 111.86 2k5g n GLU 73 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 2k5g n GLU 73 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 2k5g n GLU 73 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2k5g s THR 74 N 0.00 4.79 -0.01 2.62 2.01 -1.26 -5.08 115.64 118.71 2k5g s THR 74 Ca 0.00 -0.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.91 2k5g s THR 74 Cb 0.00 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.34 2k5g s THR 74 CO 0.00 0.43 0.11 0.00 -0.69 0.00 0.00 174.62 174.48 2k5g s ALA 75 N 0.58 -0.27 0.03 7.40 0.00 -1.26 -5.03 121.76 123.21 2k5g s ALA 75 Ca 0.04 -0.06 -0.27 0.00 0.00 0.00 0.00 51.96 51.66 2k5g s ALA 75 Cb -0.13 0.03 -0.17 0.00 0.00 0.00 0.00 23.12 22.86 2k5g s ALA 75 CO 0.01 -0.16 1.30 -1.35 0.00 0.00 0.00 175.76 175.56 2k5g h PRO 76 N 4.75 -0.67 0.00 0.00 0.11 -1.98 -3.43 132.00 130.78 2k5g h PRO 76 Ca -0.29 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2k5g h PRO 76 Cb 1.20 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2k5g h PRO 76 CO 0.41 -0.36 0.00 0.00 -0.21 0.00 0.00 178.00 177.84 2k5g n ALA 77 N -2.54 0.00 0.22 -0.75 0.00 -1.26 -4.91 120.51 111.28 2k5g n ALA 77 Ca -0.11 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.41 2k5g n ALA 77 Cb 0.32 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.29 2k5g n ALA 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2k5g h ARG 78 N 0.00 0.00 0.00 0.00 2.43 -2.02 -1.67 114.38 113.12 2k5g h ARG 78 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k5g h ARG 78 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2k5g h ARG 78 CO 0.00 0.24 -1.11 0.66 -1.51 0.00 0.00 179.97 178.25 2k5g n TYR 79 N -3.78 0.42 0.39 2.20 4.02 -1.26 -3.31 117.16 115.83 2k5g n TYR 79 Ca -0.01 0.12 0.14 0.00 -0.01 0.00 0.00 57.90 58.13 2k5g n TYR 79 Cb 0.34 -0.58 0.45 0.00 -0.02 0.00 0.00 39.34 39.53 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k5g h ALA 80 N 2.35 1.00 -0.65 -0.72 0.00 -1.59 -2.90 119.26 116.75 2k5g h ALA 80 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2k5g h ALA 80 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2k5g h ALA 80 CO 0.00 0.00 0.23 0.37 0.00 0.00 0.00 179.25 179.85 2k5g h GLN 81 N 0.00 1.00 0.00 0.00 4.15 -1.49 -1.95 115.11 116.83 2k5g h GLN 81 Ca 0.00 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 2k5g h GLN 81 Cb 0.64 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 2k5g h GLN 81 CO 0.00 0.86 -0.05 1.88 -1.93 0.00 0.00 178.83 179.58 2k5g h TYR 82 N 0.93 0.00 -0.00 3.99 0.05 -1.70 -3.15 116.97 117.09 2k5g h TYR 82 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 2k5g h TYR 82 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2k5g h TYR 82 CO 0.02 0.05 -0.20 -3.47 -1.05 0.00 0.00 178.16 173.50 2k5g n ASP 83 N -3.13 0.66 -4.87 3.88 2.03 -0.79 -2.14 116.55 112.19 2k5g n ASP 83 Ca 0.02 -0.59 -0.35 0.00 0.52 0.00 0.00 54.79 54.39 2k5g n ASP 83 Cb 0.46 0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 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 -2.57 3.39 -0.76 -0.67 1.81 -0.86 -4.56 118.95 114.73 2k5g s ARG 84 Ca 0.24 -0.24 -0.25 0.00 -1.72 0.00 0.00 55.73 53.76 2k5g s ARG 84 Cb 0.19 -3.11 -0.04 0.00 -0.45 0.00 0.00 34.95 31.54 2k5g s ARG 84 CO 0.52 0.73 1.95 -1.25 -0.68 0.00 0.00 175.30 176.57 2k5g s PRO 85 N -1.39 2.53 -0.09 3.54 0.04 -1.26 -4.10 135.00 134.27 2k5g s PRO 85 Ca 0.20 0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.43 2k5g s PRO 85 Cb -0.12 -4.75 -0.03 0.00 0.04 0.00 0.00 34.50 29.65 2k5g s PRO 85 CO 0.10 -3.14 -0.09 0.42 0.04 0.00 0.00 177.00 174.32 2k5g s ILE 86 N 9.93 3.48 -0.18 0.56 1.01 -1.26 -4.84 121.20 129.90 2k5g s ILE 86 Ca 0.71 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.76 2k5g s ILE 86 Cb -0.10 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 2k5g s ILE 86 CO 0.10 0.57 0.00 0.54 0.00 0.00 0.00 174.94 176.15 2k5g s VAL 87 N -0.45 4.13 -0.08 2.92 0.11 -1.26 -1.33 120.40 124.44 2k5g s VAL 87 Ca 0.06 -0.27 -0.04 0.00 -2.93 0.00 0.00 61.98 58.81 2k5g s VAL 87 Cb -0.12 -2.84 0.04 0.00 -1.53 0.00 0.00 36.38 31.93 2k5g s VAL 87 CO 0.02 0.46 0.17 0.00 -3.33 0.00 0.00 175.10 172.42 2k5g s ALA 88 N 0.60 -0.35 0.38 1.54 0.00 -1.05 -4.97 121.76 117.91 2k5g s ALA 88 Ca -0.01 0.76 -0.24 0.00 0.00 0.00 0.00 51.96 52.47 2k5g s ALA 88 Cb -0.14 -0.50 -0.10 0.00 0.00 0.00 0.00 23.12 22.38 2k5g s ALA 88 CO 0.02 -0.16 0.96 -0.98 0.00 0.00 0.00 175.76 175.60 2k5g s ARG 89 N 1.15 4.38 -0.04 0.00 1.70 -1.26 -2.51 118.95 122.38 2k5g s ARG 89 Ca -0.09 1.28 -0.02 0.00 -0.47 0.00 0.00 55.73 56.43 2k5g s ARG 89 Cb -0.11 -2.52 0.02 0.00 -0.57 0.00 0.00 34.95 31.77 2k5g s ARG 89 CO -0.06 0.09 0.08 -1.01 -1.08 0.00 0.00 175.30 173.32 2k5g s HIS 90 N -1.83 -0.07 0.18 5.89 3.76 0.94 -4.88 115.29 119.28 2k5g s HIS 90 Ca 0.56 0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 55.42 2k5g s HIS 90 Cb -0.16 -0.09 -0.08 0.00 1.11 0.00 0.00 32.58 33.37 2k5g s HIS 90 CO 0.20 -0.09 1.11 0.99 -0.85 0.00 0.00 174.74 176.10 2k5g s THR 91 N 0.69 3.81 0.48 1.30 2.01 -1.26 -0.97 115.64 121.70 2k5g s THR 91 Ca -0.05 1.57 -0.18 0.00 0.31 0.00 0.00 61.69 63.33 2k5g s THR 91 Cb -0.08 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.34 2k5g s THR 91 CO -0.03 0.27 0.97 -1.48 -0.69 0.00 0.00 174.62 173.67 2k5g s LEU 92 N -0.41 3.74 0.00 4.42 0.05 -1.16 -1.06 118.68 124.27 2k5g s LEU 92 Ca 0.50 1.62 0.00 0.00 0.05 0.00 0.00 54.13 56.29 2k5g s LEU 92 Cb -0.30 -4.52 0.00 0.00 -2.05 0.00 0.00 46.19 39.32 2k5g s LEU 92 CO 0.35 -0.51 0.00 -0.11 -0.55 0.00 0.00 176.35 175.54 2k5g n LEU 93 N -1.23 0.00 -3.54 1.48 -0.00 0.95 -4.38 117.00 110.29 2k5g n LEU 93 Ca 0.07 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.85 2k5g n LEU 93 Cb 0.54 -0.25 -0.15 0.00 -0.00 0.00 0.00 43.42 43.57 2k5g n LEU 93 CO 0.43 -0.39 -0.27 -0.60 -0.00 0.00 0.00 177.39 176.56 2k5g s ARG 94 N -0.78 0.15 -0.28 1.96 3.52 -1.21 -4.89 118.95 117.43 2k5g s ARG 94 Ca 0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 55.73 55.58 2k5g s ARG 94 Cb 0.00 -1.40 0.06 0.00 -1.56 0.00 0.00 34.95 32.05 2k5g s ARG 94 CO 0.00 -0.75 -0.07 0.00 -0.81 0.00 0.00 175.30 173.68 2k5g s GLU 96 N 1.11 1.67 0.25 0.00 2.02 0.98 -4.98 118.70 119.75 2k5g s GLU 96 Ca -0.06 -2.43 -0.30 0.00 0.02 0.00 0.00 54.97 52.21 2k5g s GLU 96 Cb -0.20 -2.76 -0.09 0.00 0.10 0.00 0.00 34.13 31.18 2k5g s GLU 96 CO -0.05 -1.18 1.10 -1.25 0.02 0.00 0.00 175.26 173.91 2k5g s PRO 97 N -0.17 4.62 -0.47 0.39 0.04 -1.26 -1.16 135.00 137.00 2k5g s PRO 97 Ca 0.20 1.79 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 2k5g s PRO 97 Cb -0.20 -3.21 0.09 0.00 0.04 0.00 0.00 34.50 31.22 2k5g s PRO 97 CO -0.04 0.17 0.36 -1.25 0.04 0.00 0.00 177.00 176.28 2k5g s PRO 98 N -1.13 2.80 0.00 0.56 0.04 -1.26 -5.03 135.00 130.97 2k5g s PRO 98 Ca 0.46 -1.50 0.00 0.00 0.04 0.00 0.00 61.00 60.00 2k5g s PRO 98 Cb -0.31 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.21 2k5g s PRO 98 CO 0.39 -1.07 0.00 -2.13 0.04 0.00 0.00 177.00 174.23 2k5g n ARG 99 N 5.08 0.00 -4.31 4.56 3.00 -0.31 -4.85 116.66 119.83 2k5g n ARG 99 Ca -0.11 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.53 2k5g n ARG 99 Cb 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.76 2k5g n ARG 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k5g s VAL 100 N -0.79 1.29 0.02 5.15 -7.23 -1.14 -0.99 120.40 116.71 2k5g s VAL 100 Ca 0.00 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 2k5g s VAL 100 Cb 0.00 -1.19 -0.01 0.00 0.56 0.00 0.00 36.38 35.74 2k5g s VAL 100 CO 0.00 -0.06 -0.06 -1.48 -0.31 0.00 0.00 175.10 173.18 2k5g s LEU 101 N -1.50 2.15 -0.03 1.32 0.05 -0.11 -0.01 118.68 120.54 2k5g s LEU 101 Ca 0.02 -0.34 -0.09 0.00 0.05 0.00 0.00 54.13 53.77 2k5g s LEU 101 Cb -0.09 -0.19 0.01 0.00 -2.05 0.00 0.00 46.19 43.87 2k5g s LEU 101 CO 0.02 -0.09 0.20 0.00 -0.55 0.00 0.00 176.35 175.93 2k5g s ALA 102 N -0.82 -0.48 0.34 1.48 0.00 0.13 -0.17 121.76 122.25 2k5g s ALA 102 Ca -0.05 0.20 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 2k5g s ALA 102 Cb -0.06 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.02 2k5g s ALA 102 CO 0.00 -0.18 0.58 -0.48 0.00 0.00 0.00 175.76 175.68 2k5g s LEU 103 N -0.87 0.59 0.05 0.00 2.34 -0.25 -0.03 118.68 120.50 2k5g s LEU 103 Ca -0.10 -1.30 0.02 0.00 0.06 0.00 0.00 54.13 52.81 2k5g s LEU 103 Cb -0.05 1.97 -0.04 0.00 -0.56 0.00 0.00 46.19 47.51 2k5g s LEU 103 CO 0.02 -1.41 0.08 0.28 -1.06 0.00 0.00 176.35 174.26 2k5g s THR 104 N -2.94 4.61 0.18 5.48 -1.32 -0.22 0.97 115.64 122.39 2k5g s THR 104 Ca 0.24 -0.62 0.10 0.00 -1.21 0.00 0.00 61.69 60.19 2k5g s THR 104 Cb -0.02 -3.18 -0.04 0.00 -1.51 0.00 0.00 72.50 67.75 2k5g s THR 104 CO 0.16 0.21 -0.14 0.86 -2.21 0.00 0.00 174.62 173.50 2k5g s TRP 105 N -1.31 2.53 0.00 9.09 -0.11 0.34 -4.58 118.94 124.90 2k5g s TRP 105 Ca 0.27 -0.26 0.00 0.00 1.22 0.00 0.00 56.10 57.33 2k5g s TRP 105 Cb -0.12 -1.25 0.00 0.00 -1.50 0.00 0.00 33.47 30.60 2k5g s TRP 105 CO 0.19 0.50 0.00 0.41 -4.62 0.00 0.00 176.95 173.43 2k5g n GLY 106 N 0.19 1.66 2.01 5.86 0.00 -1.26 -3.65 105.19 110.00 2k5g n GLY 106 Ca -0.12 0.28 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 0.51 3.83 -0.02 0.00 -1.26 -4.99 105.19 103.25 2k5g n GLY 107 Ca 0.00 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 2k5g n GLY 107 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5g s GLY 108 N -3.01 2.41 -0.69 -0.02 0.00 -1.26 -4.99 107.32 99.76 2k5g s GLY 108 Ca 0.11 0.28 -0.27 0.00 0.00 0.00 0.00 44.72 44.83 2k5g s GLY 108 CO 0.13 0.55 1.42 0.00 0.00 0.00 0.00 173.10 175.20 2k5g s ALA 109 N -2.05 2.63 0.00 3.20 0.00 -1.26 -4.74 121.76 119.54 2k5g s ALA 109 Ca 0.58 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2k5g s ALA 109 Cb -0.10 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.77 2k5g s ALA 109 CO 0.15 -3.37 0.00 0.41 0.00 0.00 0.00 175.76 172.96 2k5g n GLY 110 N 5.43 2.91 7.00 0.00 0.00 -1.26 -5.14 105.19 114.13 2k5g n GLY 110 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -3.45 1.61 -0.58 -1.26 -4.76 120.64 112.19 2k5g n GLU 111 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 2k5g n GLU 111 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 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 -1.80 3.66 -0.01 0.62 0.00 -1.26 -5.03 121.76 117.95 2k5g s ALA 112 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 2k5g s ALA 112 Cb 0.00 -2.43 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 2k5g s ALA 112 CO 0.00 0.48 1.31 -2.14 0.00 0.00 0.00 175.76 175.41 2k5g s PRO 113 N -1.46 4.32 0.43 0.00 0.02 -1.26 -4.76 135.00 132.29 2k5g s PRO 113 Ca 0.30 1.85 -0.24 0.00 0.02 0.00 0.00 61.00 62.92 2k5g s PRO 113 Cb -0.16 -3.52 -0.08 0.00 0.02 0.00 0.00 34.50 30.76 2k5g s PRO 113 CO 0.16 -0.49 1.19 -1.12 -0.33 0.00 0.00 177.00 176.41 2k5g s SER 114 N 1.61 6.33 0.22 2.53 0.01 -1.24 -4.75 113.70 118.40 2k5g s SER 114 Ca 0.61 2.38 0.07 0.00 1.31 0.00 0.00 55.95 60.32 2k5g s SER 114 Cb -0.29 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.29 2k5g s SER 114 CO 0.25 -0.81 0.11 -1.83 0.41 0.00 0.00 173.24 171.37 2k5g s GLU 115 N -2.46 2.71 -0.13 12.44 -1.05 0.26 0.13 118.70 130.59 2k5g s GLU 115 Ca 0.60 -1.08 0.01 0.00 -0.15 0.00 0.00 54.97 54.35 2k5g s GLU 115 Cb -0.31 -2.48 0.02 0.00 -0.44 0.00 0.00 34.13 30.92 2k5g s GLU 115 CO 0.39 0.43 -0.16 0.08 0.95 0.00 0.00 175.26 176.94 2k5g s VAL 116 N -1.98 1.64 -0.25 1.83 1.01 0.27 0.37 120.40 123.29 2k5g s VAL 116 Ca 0.31 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 2k5g s VAL 116 Cb -0.08 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.80 2k5g s VAL 116 CO 0.22 0.47 -0.01 -0.22 0.00 0.00 0.00 175.10 175.56 2k5g s LEU 117 N 1.15 3.22 -0.28 3.92 1.98 0.14 -1.09 118.68 127.73 2k5g s LEU 117 Ca -0.02 -0.58 -0.10 0.00 -2.89 0.00 0.00 54.13 50.54 2k5g s LEU 117 Cb -0.14 -1.76 -0.05 0.00 0.66 0.00 0.00 46.19 44.90 2k5g s LEU 117 CO -0.05 -0.09 0.17 -0.36 -1.89 0.00 0.00 176.35 174.13 2k5g s PHE 118 N 1.45 3.20 -0.23 5.38 0.08 0.77 -0.22 117.98 128.40 2k5g s PHE 118 Ca 0.04 0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.11 2k5g s PHE 118 Cb -0.16 -2.36 0.06 0.00 -0.57 0.00 0.00 43.02 39.99 2k5g s PHE 118 CO -0.02 -0.20 -0.06 -1.21 -0.10 0.00 0.00 175.22 173.63 2k5g s GLU 119 N 1.73 1.72 -0.15 0.44 2.02 -1.05 -0.93 118.70 122.48 2k5g s GLU 119 Ca 0.07 -1.01 -0.15 0.00 0.02 0.00 0.00 54.97 53.90 2k5g s GLU 119 Cb -0.16 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.42 2k5g s GLU 119 CO 0.10 -0.58 0.33 -0.51 0.02 0.00 0.00 175.26 174.62 2k5g s LEU 120 N 1.36 4.25 0.14 1.80 1.43 -0.16 -2.54 118.68 124.96 2k5g s LEU 120 Ca -0.06 0.57 0.06 0.00 -1.03 0.00 0.00 54.13 53.66 2k5g s LEU 120 Cb -0.19 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2k5g s LEU 120 CO -0.06 0.07 0.04 -0.44 0.23 0.00 0.00 176.35 176.19 2k5g s SER 121 N 0.53 5.07 -0.12 2.29 0.01 0.14 -4.69 113.70 116.93 2k5g s SER 121 Ca 0.18 -0.24 -0.03 0.00 1.31 0.00 0.00 55.95 57.17 2k5g s SER 121 Cb -0.13 -1.20 -0.03 0.00 0.21 0.00 0.00 66.02 64.86 2k5g s SER 121 CO 0.05 0.12 -0.00 -1.83 0.41 0.00 0.00 173.24 171.99 2k5g s GLU 122 N -2.73 3.35 0.00 12.44 -1.05 -1.26 -0.76 118.70 128.69 2k5g s GLU 122 Ca 0.28 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.66 2k5g s GLU 122 Cb -0.10 -2.89 0.00 0.00 -0.44 0.00 0.00 34.13 30.70 2k5g s GLU 122 CO 0.20 0.49 0.00 0.00 0.95 0.00 0.00 175.26 176.90 2k5g n ALA 123 N 2.80 0.00 1.97 -0.84 0.00 0.45 -4.92 120.51 119.97 2k5g n ALA 123 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.33 2k5g n ALA 123 Cb 0.53 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.37 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 5.00 -0.95 0.00 0.00 0.00 -1.26 -4.31 105.19 103.67 2k5g n GLY 124 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.67 0.00 -4.64 1.61 2.13 -1.26 -5.14 120.64 112.67 2k5g n GLU 125 Ca 0.10 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.63 2k5g n GLU 125 Cb 0.06 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.68 2k5g n GLU 125 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2k5g s GLN 126 N 0.00 2.02 -0.07 5.31 -0.21 -1.21 -3.83 119.66 121.67 2k5g s GLN 126 Ca 0.00 -2.23 0.02 0.00 0.02 0.00 0.00 55.36 53.18 2k5g s GLN 126 Cb 0.00 -1.30 -0.02 0.00 1.00 0.00 0.00 33.01 32.68 2k5g s GLN 126 CO 0.00 -0.28 -0.13 0.08 -2.12 0.00 0.00 175.29 172.84 2k5g s VAL 127 N -2.95 3.17 -0.32 1.09 1.01 0.12 -0.41 120.40 122.11 2k5g s VAL 127 Ca 0.20 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2k5g s VAL 127 Cb 0.05 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.19 2k5g s VAL 127 CO 0.10 0.58 0.08 -0.60 0.00 0.00 0.00 175.10 175.26 2k5g s ARG 128 N -0.54 2.76 -0.10 2.72 3.52 0.06 -0.29 118.95 127.07 2k5g s ARG 128 Ca 0.08 -1.08 -0.02 0.00 -0.13 0.00 0.00 55.73 54.58 2k5g s ARG 128 Cb -0.12 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 2k5g s ARG 128 CO 0.02 -0.58 -0.01 -1.17 -0.81 0.00 0.00 175.30 172.75 2k5g s LEU 129 N 1.41 3.47 -0.06 -0.88 0.20 -0.39 0.28 118.68 122.71 2k5g s LEU 129 Ca -0.01 0.06 0.00 0.00 0.69 0.00 0.00 54.13 54.88 2k5g s LEU 129 Cb -0.19 -1.80 0.02 0.00 -0.43 0.00 0.00 46.19 43.80 2k5g s LEU 129 CO 0.02 0.33 -0.04 0.54 -0.29 0.00 0.00 176.35 176.90 2k5g s VAL 130 N -0.57 0.61 -0.37 1.68 0.11 -1.05 0.76 120.40 121.56 2k5g s VAL 130 Ca 0.09 -0.10 -0.22 0.00 -2.93 0.00 0.00 61.98 58.83 2k5g s VAL 130 Cb -0.12 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.08 2k5g s VAL 130 CO 0.02 0.27 0.70 -0.22 -3.33 0.00 0.00 175.10 172.53 2k5g s LEU 131 N 1.34 4.24 -0.38 2.54 0.20 0.30 -2.52 118.68 124.39 2k5g s LEU 131 Ca -0.04 0.15 -0.07 0.00 0.69 0.00 0.00 54.13 54.86 2k5g s LEU 131 Cb -0.14 -2.87 0.07 0.00 -0.43 0.00 0.00 46.19 42.82 2k5g s LEU 131 CO -0.03 -0.68 0.19 -0.89 -0.29 0.00 0.00 176.35 174.65 2k5g s THR 132 N 2.89 3.86 -0.43 3.68 2.01 0.69 -1.95 115.64 126.39 2k5g s THR 132 Ca 0.27 -1.42 -0.16 0.00 0.31 0.00 0.00 61.69 60.68 2k5g s THR 132 Cb -0.14 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 69.06 2k5g s THR 132 CO 0.16 -0.41 0.40 -2.28 -0.69 0.00 0.00 174.62 171.81 2k5g s HIS 133 N 1.36 3.19 0.57 4.92 2.46 0.18 0.25 115.29 128.22 2k5g s HIS 133 Ca 0.02 -0.52 0.08 0.00 0.47 0.00 0.00 55.06 55.11 2k5g s HIS 133 Cb -0.22 -2.86 0.07 0.00 -0.13 0.00 0.00 32.58 29.44 2k5g s HIS 133 CO 0.01 -0.70 0.62 0.99 -2.47 0.00 0.00 174.74 173.19 2k5g s THR 134 N 1.96 1.86 -1.20 0.89 2.01 0.16 -3.18 115.64 118.14 2k5g s THR 134 Ca 0.09 -1.23 -0.02 0.00 0.31 0.00 0.00 61.69 60.84 2k5g s THR 134 Cb -0.19 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.23 2k5g s THR 134 CO 0.12 0.00 0.27 -1.14 -0.69 0.00 0.00 174.62 173.17 2k5g n ARG 135 N -2.04 -2.64 -2.70 4.92 3.00 -1.26 -0.58 116.66 115.36 2k5g n ARG 135 Ca 0.08 0.69 -0.43 0.00 -0.00 0.00 0.00 57.85 58.19 2k5g n ARG 135 Cb 0.63 -5.04 -0.03 0.00 0.00 0.00 0.00 32.46 28.02 2k5g n ARG 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2k5g s LEU 136 N -4.74 3.82 0.19 6.15 1.43 -1.26 -3.81 118.68 120.44 2k5g s LEU 136 Ca 0.13 0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 2k5g s LEU 136 Cb -0.06 -3.39 0.06 0.00 0.03 0.00 0.00 46.19 42.84 2k5g s LEU 136 CO 0.16 -1.14 1.43 0.00 0.23 0.00 0.00 176.35 177.04 2k5g h ALA 137 N 9.09 0.63 -2.73 4.21 0.00 -1.92 -3.47 119.26 125.07 2k5g h ALA 137 Ca -0.23 -0.72 -0.05 0.00 0.00 0.00 0.00 54.91 53.91 2k5g h ALA 137 Cb 1.07 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 2k5g h ALA 137 CO 1.08 0.95 -0.02 0.34 0.00 0.00 0.00 179.25 181.60 2k5g s ASP 138 N -6.84 -0.32 0.35 0.00 -1.08 -1.26 -5.01 116.67 102.50 2k5g s ASP 138 Ca -0.01 -0.16 0.08 0.00 -0.52 0.00 0.00 52.55 51.93 2k5g s ASP 138 Cb 0.11 0.49 0.78 0.00 -1.46 0.00 0.00 42.92 42.84 2k5g s ASP 138 CO 0.80 -0.83 1.87 0.03 0.52 0.00 0.00 175.17 177.57 2k5g h ARG 139 N 2.45 0.71 0.00 4.34 2.47 -1.97 0.57 114.38 122.95 2k5g h ARG 139 Ca -0.33 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.33 2k5g h ARG 139 Cb 1.25 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.41 2k5g h ARG 139 CO 0.44 0.47 -0.08 0.00 0.56 0.00 0.00 179.97 181.36 2k5g h ALA 140 N 1.59 1.82 -0.06 0.04 0.00 -1.97 -1.26 119.26 119.42 2k5g h ALA 140 Ca 0.44 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2k5g h ALA 140 Cb 0.66 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2k5g h ALA 140 CO -0.20 0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.08 2k5g h ALA 141 N 1.92 0.08 -0.71 0.00 0.00 -1.28 0.46 119.26 119.74 2k5g h ALA 141 Ca -0.00 -0.28 0.14 0.00 0.00 0.00 0.00 54.91 54.77 2k5g h ALA 141 Cb 0.14 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 2k5g h ALA 141 CO 0.01 -0.12 0.21 0.52 0.00 0.00 0.00 179.25 179.88 2k5g h MET 142 N -0.31 0.32 0.00 0.00 2.07 -1.23 0.24 114.93 116.03 2k5g h MET 142 Ca 0.01 -0.02 -0.08 0.00 -2.07 0.00 0.00 59.70 57.53 2k5g h MET 142 Cb 0.57 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.21 2k5g h MET 142 CO 0.01 0.21 -0.40 -0.07 1.07 0.00 0.00 176.91 177.74 2k5g h LEU 143 N 0.33 0.00 -0.61 1.22 3.38 -1.01 0.32 115.31 118.94 2k5g h LEU 143 Ca 0.39 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.22 2k5g h LEU 143 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2k5g h LEU 143 CO -0.44 0.40 -0.45 0.44 0.09 0.00 0.00 178.44 178.47 2k5g h ASP 144 N 0.00 0.62 0.87 -0.43 3.32 0.33 -2.59 116.42 118.54 2k5g h ASP 144 Ca -0.00 -0.29 -0.21 0.00 0.02 0.00 0.00 57.03 56.55 2k5g h ASP 144 Cb 0.73 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 2k5g h ASP 144 CO 0.05 0.98 -1.21 -0.37 -1.72 0.00 0.00 179.24 176.97 2k5g h VAL 145 N 0.46 1.04 0.00 -1.35 -1.51 -1.21 -3.35 116.25 110.34 2k5g h VAL 145 Ca 0.03 -2.69 0.00 0.00 -1.23 0.00 0.00 66.70 62.81 2k5g h VAL 145 Cb 0.97 2.47 0.00 0.00 -2.13 0.00 0.00 31.29 32.60 2k5g h VAL 145 CO 0.09 0.59 0.02 0.00 -1.23 0.00 0.00 177.57 177.04 2k5g n ALA 146 N -2.40 1.02 0.38 5.19 0.00 0.09 -0.21 120.51 124.58 2k5g n ALA 146 Ca -0.07 0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.60 2k5g n ALA 146 Cb 0.92 -1.26 0.22 0.00 0.00 0.00 0.00 19.45 19.32 2k5g n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 147 N -1.31 -0.71 0.00 0.00 0.00 -1.16 -4.31 105.19 97.70 2k5g n GLY 147 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.52 0.00 0.32 -0.02 0.00 -0.81 -4.89 105.19 99.27 2k5g n GLY 148 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.84 -0.93 1.61 -0.00 -0.78 -2.96 115.95 112.05 2k5g h TRP 149 Ca 0.00 -0.00 0.14 0.00 -0.00 0.00 0.00 58.89 59.03 2k5g h TRP 149 Cb 0.00 0.31 -0.08 0.00 -0.00 0.00 0.00 29.16 29.39 2k5g h TRP 149 CO 0.00 -0.44 0.60 1.12 -0.00 0.00 0.00 178.44 179.72 2k5g h HIS 150 N -0.70 0.93 -0.07 2.65 2.07 -1.81 -0.71 115.15 117.51 2k5g h HIS 150 Ca -0.06 0.03 0.02 0.00 -2.85 0.00 0.00 60.37 57.51 2k5g h HIS 150 Cb 0.57 -0.29 -0.00 0.00 2.57 0.00 0.00 27.41 30.26 2k5g h HIS 150 CO -0.09 0.34 0.07 0.00 -3.07 0.00 0.00 177.93 175.18 2k5g h ALA 151 N 1.59 1.72 0.00 6.11 0.00 -1.83 -1.36 119.26 125.48 2k5g h ALA 151 Ca 0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 2k5g h ALA 151 Cb 0.68 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2k5g h ALA 151 CO -0.24 -0.11 -0.04 1.12 0.00 0.00 0.00 179.25 179.98 2k5g h HIS 152 N 0.00 0.00 0.00 0.00 2.07 -1.08 -0.08 115.15 116.06 2k5g h HIS 152 Ca 0.03 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.50 2k5g h HIS 152 Cb 0.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.15 2k5g h HIS 152 CO 0.00 0.04 -0.28 -0.07 -3.07 0.00 0.00 177.93 174.55 2k5g h LEU 153 N 0.00 0.00 0.00 6.12 3.38 -1.41 -1.39 115.31 122.01 2k5g h LEU 153 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2k5g h LEU 153 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2k5g h LEU 153 CO 0.00 0.28 -0.64 0.00 0.09 0.00 0.00 178.44 178.17 2k5g h ALA 154 N 1.72 0.62 0.02 1.53 0.00 -1.17 -2.80 119.26 119.18 2k5g h ALA 154 Ca -0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 2k5g h ALA 154 Cb 0.57 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k5g h ALA 154 CO 0.04 0.75 -0.32 0.28 0.00 0.00 0.00 179.25 180.00 2k5g h VAL 155 N 0.00 1.58 -0.42 0.00 2.07 -1.22 -0.20 116.25 118.06 2k5g h VAL 155 Ca -0.02 -2.14 -0.03 0.00 0.82 0.00 0.00 66.70 65.34 2k5g h VAL 155 Cb 1.47 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 34.17 2k5g h VAL 155 CO 0.08 0.58 0.15 0.17 0.02 0.00 0.00 177.57 178.57 2k5g h LEU 156 N -0.55 0.60 -0.69 2.57 8.10 -1.39 -1.05 115.31 122.89 2k5g h LEU 156 Ca -0.05 -0.19 -0.04 0.00 0.11 0.00 0.00 57.88 57.71 2k5g h LEU 156 Cb 1.13 -0.16 -0.03 0.00 -0.44 0.00 0.00 40.66 41.17 2k5g h LEU 156 CO 0.06 0.63 0.27 0.00 -4.11 0.00 0.00 178.44 175.29 2k5g h ALA 157 N 1.00 0.90 -0.57 0.17 0.00 -1.57 0.25 119.26 119.43 2k5g h ALA 157 Ca 0.14 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2k5g h ALA 157 Cb 0.23 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2k5g h ALA 157 CO -0.01 0.53 0.29 0.78 0.00 0.00 0.00 179.25 180.84 2k5g h GLY 158 N 0.99 0.81 0.51 0.00 0.00 -0.65 -0.18 103.07 104.56 2k5g h GLY 158 Ca 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2k5g h GLY 158 CO -0.02 0.11 -0.04 0.50 0.00 0.00 0.00 176.54 177.09 2k5g h LYS 159 N 0.54 0.06 -0.98 4.80 1.57 -0.80 0.57 116.57 122.34 2k5g h LYS 159 Ca 0.26 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.06 2k5g h LYS 159 Cb 0.19 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 2k5g h LYS 159 CO -0.19 0.59 0.64 -0.07 -0.57 0.00 0.00 179.45 179.85 2k5g h LEU 160 N -0.45 1.02 -1.47 2.94 3.38 -0.35 -1.23 115.31 119.14 2k5g h LEU 160 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k5g h LEU 160 Cb 0.58 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2k5g h LEU 160 CO 0.01 0.67 0.00 0.00 0.09 0.00 0.00 178.44 179.21 2k5g n ALA 161 N -2.38 2.45 -2.21 1.53 0.00 -0.09 -4.81 120.51 115.01 2k5g n ALA 161 Ca 0.14 -0.70 -0.13 0.00 0.00 0.00 0.00 53.44 52.75 2k5g n ALA 161 Cb 0.16 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 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 1.17 -0.09 0.00 0.00 0.00 -0.46 -1.37 105.19 104.44 2k5g n GLY 162 Ca 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2k5g n GLY 162 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k5g n GLN 163 N -2.31 0.73 -3.58 1.61 6.02 0.20 -4.55 117.38 115.49 2k5g n GLN 163 Ca -0.16 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.51 2k5g n GLN 163 Cb 0.61 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.82 2k5g n GLN 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k5g s ALA 164 N -2.59 3.71 0.62 -1.58 0.00 -1.26 -4.61 121.76 116.05 2k5g s ALA 164 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 2k5g s ALA 164 Cb 0.00 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 2k5g s ALA 164 CO 0.00 0.61 1.16 -2.14 0.00 0.00 0.00 175.76 175.39 2k5g s PRO 165 N -2.70 2.89 0.44 0.00 0.02 -1.26 -4.78 135.00 129.62 2k5g s PRO 165 Ca 0.43 1.64 -0.14 0.00 0.02 0.00 0.00 61.00 62.95 2k5g s PRO 165 Cb -0.12 -1.94 -0.08 0.00 0.02 0.00 0.00 34.50 32.39 2k5g s PRO 165 CO 0.23 -1.22 0.86 -1.25 -0.33 0.00 0.00 177.00 175.29 2k5g s PRO 166 N -3.62 3.90 0.63 5.54 0.05 -1.26 -4.95 135.00 135.28 2k5g s PRO 166 Ca 0.73 0.72 0.40 0.00 0.05 0.00 0.00 61.00 62.90 2k5g s PRO 166 Cb -0.26 -2.28 2.10 0.00 0.05 0.00 0.00 34.50 34.11 2k5g s PRO 166 CO 0.36 -0.11 2.26 -1.35 0.05 0.00 0.00 177.00 178.21 2k5g h PRO 167 N 1.26 0.00 -2.85 0.56 0.11 -1.95 -3.45 132.00 125.68 2k5g h PRO 167 Ca -0.47 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.33 2k5g h PRO 167 Cb 1.18 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.31 2k5g h PRO 167 CO 0.63 0.01 -0.43 0.34 -0.21 0.00 0.00 178.00 178.34 2k5g n PHE 168 N -3.17 -1.11 0.04 0.65 7.35 -1.26 -3.50 117.46 116.46 2k5g n PHE 168 Ca -0.02 0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 2k5g n PHE 168 Cb 0.14 -3.44 0.00 0.00 0.35 0.00 0.00 39.48 36.52 2k5g n PHE 168 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 2k5g n TRP 169 N -4.11 -0.69 0.08 -5.13 5.03 -1.26 -4.51 117.44 106.85 2k5g n TRP 169 Ca -0.14 0.12 -0.12 0.00 3.03 0.00 0.00 57.50 60.40 2k5g n TRP 169 Cb 0.62 0.41 -0.05 0.00 -1.03 0.00 0.00 31.31 31.25 2k5g n TRP 169 CO 0.00 0.00 0.00 1.15 -0.03 0.00 0.00 177.69 178.81 2k5g h THR 170 N 0.00 0.50 -0.63 -0.99 2.02 -2.00 -1.56 112.91 110.25 2k5g h THR 170 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 2k5g h THR 170 Cb 0.16 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 2k5g h THR 170 CO 0.00 0.00 0.40 0.74 0.37 0.00 0.00 175.52 177.03 2k5g h THR 171 N -0.37 1.10 0.58 3.16 2.02 -1.98 -1.46 112.91 115.96 2k5g h THR 171 Ca 0.05 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 2k5g h THR 171 Cb 0.43 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2k5g h THR 171 CO -0.17 0.14 -0.28 -0.07 0.37 0.00 0.00 175.52 175.51 2k5g h LEU 172 N 0.79 -0.66 -0.97 2.58 -0.00 -1.77 -1.53 115.31 113.75 2k5g h LEU 172 Ca 0.25 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 2k5g h LEU 172 Cb -0.01 0.17 -0.05 0.00 -0.00 0.00 0.00 40.66 40.78 2k5g h LEU 172 CO -0.09 -0.47 0.62 0.00 -0.00 0.00 0.00 178.44 178.50 2k5g h ALA 173 N -1.62 1.23 0.40 1.53 0.00 -1.29 0.31 119.26 119.82 2k5g h ALA 173 Ca -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2k5g h ALA 173 Cb 0.60 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2k5g h ALA 173 CO 0.13 0.65 -0.19 0.37 0.00 0.00 0.00 179.25 180.21 2k5g h GLN 174 N 1.32 -0.52 -0.10 0.00 4.15 -1.28 0.26 115.11 118.94 2k5g h GLN 174 Ca 0.35 0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.68 2k5g h GLN 174 Cb -0.12 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2k5g h GLN 174 CO -0.07 -0.29 -0.51 0.00 -1.93 0.00 0.00 178.83 176.03 2k5g h ALA 175 N -0.09 0.96 -0.16 3.38 0.00 -1.01 -1.00 119.26 121.34 2k5g h ALA 175 Ca -0.06 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 2k5g h ALA 175 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2k5g h ALA 175 CO 0.09 0.66 -0.54 0.93 0.00 0.00 0.00 179.25 180.40 2k5g h GLU 176 N 0.21 0.47 -0.32 0.00 5.08 -0.32 -0.39 114.58 119.30 2k5g h GLU 176 Ca 0.01 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 2k5g h GLU 176 Cb 0.97 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2k5g h GLU 176 CO 0.08 0.88 0.01 1.96 -1.00 0.00 0.00 179.01 180.95 2k5g h GLN 177 N 0.36 0.49 -0.28 2.33 1.08 -0.13 0.31 115.11 119.27 2k5g h GLN 177 Ca 0.01 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2k5g h GLN 177 Cb 1.06 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 2k5g h GLN 177 CO 0.10 0.51 0.15 -0.44 -0.95 0.00 0.00 178.83 178.19 2k5g h ASP 178 N 0.48 0.36 -0.27 1.46 3.32 -0.48 -1.65 116.42 119.63 2k5g h ASP 178 Ca 0.11 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2k5g h ASP 178 Cb 0.29 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2k5g h ASP 178 CO 0.01 0.36 -0.14 1.88 -1.72 0.00 0.00 179.24 179.62 2k5g h TYR 179 N 0.33 0.66 0.00 4.55 0.05 -0.57 -2.89 116.97 119.10 2k5g h TYR 179 Ca 0.10 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.71 2k5g h TYR 179 Cb 0.09 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.67 2k5g h TYR 179 CO -0.03 0.83 0.00 0.93 -1.05 0.00 0.00 178.16 178.84 2k5g h GLU 180 N 0.31 0.00 0.00 4.88 4.39 -0.39 0.12 114.58 123.88 2k5g h GLU 180 Ca 0.06 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 2k5g h GLU 180 Cb 0.66 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2k5g h GLU 180 CO 0.04 0.00 -0.11 0.37 -1.16 0.00 0.00 179.01 178.15 2k5g h GLN 181 N 0.00 0.00 -0.84 2.33 4.15 -1.07 -2.63 115.11 117.05 2k5g h GLN 181 Ca 0.00 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.17 2k5g h GLN 181 Cb 0.27 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 27.81 2k5g h GLN 181 CO 0.00 0.11 0.32 0.54 -1.93 0.00 0.00 178.83 177.87 2k5g n ARG 182 N -3.23 3.12 -1.75 1.69 5.12 0.42 -4.99 116.66 117.04 2k5g n ARG 182 Ca 0.01 -2.68 -0.39 0.00 -1.93 0.00 0.00 57.85 52.85 2k5g n ARG 182 Cb 0.38 -2.09 0.03 0.00 -1.16 0.00 0.00 32.46 29.62 2k5g n ARG 182 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2k5g n LEU 183 N -0.28 5.31 -3.65 0.55 -0.00 -0.99 -5.02 117.00 112.91 2k5g n LEU 183 Ca 0.40 1.03 -0.20 0.00 -0.00 0.00 0.00 56.01 57.23 2k5g n LEU 183 Cb 1.33 -1.58 -0.17 0.00 -0.00 0.00 0.00 43.42 43.00 2k5g n LEU 183 CO 0.42 -0.47 -0.31 -0.22 -0.00 0.00 0.00 177.39 176.82 2k5g s LEU 184 N -3.10 0.11 -0.15 1.47 2.96 -1.26 -5.13 118.68 113.58 2k5g s LEU 184 Ca 0.68 0.00 -0.10 0.00 -0.22 0.00 0.00 54.13 54.49 2k5g s LEU 184 Cb -0.43 -0.03 0.05 0.00 0.50 0.00 0.00 46.19 46.28 2k5g s LEU 184 CO 0.52 -0.27 0.38 -0.70 -1.32 0.00 0.00 176.35 174.96 2k5g s GLU 185 N 2.20 0.39 -0.04 1.98 -6.30 -1.26 -5.05 118.70 110.62 2k5g s GLU 185 Ca 0.04 0.67 0.02 0.00 -2.50 0.00 0.00 54.97 53.20 2k5g s GLU 185 Cb -0.13 0.05 -0.04 0.00 0.00 0.00 0.00 34.13 34.01 2k5g s GLU 185 CO -0.05 -0.12 -0.02 1.58 0.02 0.00 0.00 175.26 176.67 2k5g n HIS 186 N 3.79 0.00 -1.22 5.30 -0.00 -1.26 -5.14 115.22 116.69 2k5g n HIS 186 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.52 2k5g n HIS 186 Cb 0.56 -0.19 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 2k5g n HIS 186 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5g n HIS 187 N -2.40 -3.36 -3.69 1.57 -0.00 -1.26 -5.04 115.22 101.04 2k5g n HIS 187 Ca -0.07 1.81 -0.14 0.00 0.46 0.00 0.00 57.72 59.78 2k5g n HIS 187 Cb 0.61 -2.92 -0.14 0.00 -0.12 0.00 0.00 29.99 27.42 2k5g n HIS 187 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k5g s HIS 188 N -4.25 -0.34 0.30 1.57 2.46 -1.26 -5.15 115.29 108.62 2k5g s HIS 188 Ca 0.00 0.83 -0.24 0.00 0.47 0.00 0.00 55.06 56.11 2k5g s HIS 188 Cb 0.00 -0.04 -0.09 0.00 -0.13 0.00 0.00 32.58 32.31 2k5g s HIS 188 CO 0.00 -0.29 0.89 -1.01 -2.47 0.00 0.00 174.74 171.86 2k5g s HIS 189 N 1.94 3.69 -0.16 3.88 3.76 -1.26 -4.98 115.29 122.16 2k5g s HIS 189 Ca -0.03 1.68 -0.23 0.00 -0.15 0.00 0.00 55.06 56.33 2k5g s HIS 189 Cb -0.11 -2.84 -0.23 0.00 1.11 0.00 0.00 32.58 30.50 2k5g s HIS 189 CO -0.08 0.25 0.50 0.45 -0.85 0.00 0.00 174.74 175.01 2k5g h HIS 190 N 3.25 0.09 0.00 1.40 3.86 -2.08 -3.57 115.15 118.10 2k5g h HIS 190 Ca -0.47 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 2k5g h HIS 190 Cb 1.19 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2k5g h HIS 190 CO 0.62 1.31 0.00 -2.39 0.86 0.00 0.00 177.93 178.33