#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5g h THR 2 N 0.00 0.00 -5.94 2.03 2.02 -2.14 -3.49 112.91 105.39 2k5g h THR 2 Ca 0.00 -0.25 -0.20 0.00 0.77 0.00 0.00 66.41 66.72 2k5g h THR 2 Cb 0.00 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.42 2k5g h THR 2 CO 0.00 0.00 -0.70 -1.20 0.37 0.00 0.00 175.52 173.99 2k5g n SER 3 N -3.28 -6.64 -4.55 4.18 7.64 -1.26 -4.81 113.62 104.90 2k5g n SER 3 Ca -0.03 -0.10 -0.34 0.00 1.01 0.00 0.00 58.87 59.42 2k5g n SER 3 Cb 0.08 -3.63 -0.04 0.00 -1.01 0.00 0.00 64.21 59.62 2k5g n SER 3 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2k5g s PRO 4 N -3.15 2.69 -0.48 1.43 0.04 -1.26 -4.92 135.00 129.36 2k5g s PRO 4 Ca 0.18 0.05 -0.27 0.00 0.04 0.00 0.00 61.00 61.00 2k5g s PRO 4 Cb -0.03 -4.73 -0.03 0.00 0.04 0.00 0.00 34.50 29.75 2k5g s PRO 4 CO 0.82 -2.94 1.97 -1.12 0.04 0.00 0.00 177.00 175.76 2k5g s SER 5 N 7.60 5.31 -0.35 6.66 0.01 -1.26 -4.93 113.70 126.73 2k5g s SER 5 Ca 0.65 0.86 -0.29 0.00 1.31 0.00 0.00 55.95 58.48 2k5g s SER 5 Cb -0.09 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.63 2k5g s SER 5 CO 0.09 -2.25 1.19 -0.44 0.41 0.00 0.00 173.24 172.24 2k5g s SER 6 N 8.30 6.73 0.27 2.44 0.01 -1.26 -5.00 113.70 125.18 2k5g s SER 6 Ca 0.79 0.96 0.07 0.00 1.31 0.00 0.00 55.95 59.07 2k5g s SER 6 Cb -0.18 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.46 2k5g s SER 6 CO 0.26 -1.07 -0.07 0.00 0.41 0.00 0.00 173.24 172.77 2k5g s ALA 7 N 4.22 2.30 0.16 1.44 0.00 -1.26 -5.15 121.76 123.47 2k5g s ALA 7 Ca 0.51 -1.87 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 2k5g s ALA 7 Cb -0.13 0.15 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 2k5g s ALA 7 CO 0.23 -0.05 0.44 -0.06 0.00 0.00 0.00 175.76 176.33 2k5g s PHE 8 N -3.00 3.48 0.54 0.00 0.08 -1.26 -5.06 117.98 112.76 2k5g s PHE 8 Ca 0.29 0.72 -0.21 0.00 0.12 0.00 0.00 56.93 57.85 2k5g s PHE 8 Cb 0.03 -2.13 -0.07 0.00 -0.57 0.00 0.00 43.02 40.28 2k5g s PHE 8 CO 0.11 0.39 1.04 -2.30 -0.10 0.00 0.00 175.22 174.36 2k5g n PRO 9 N 0.17 1.17 -3.84 0.24 -0.02 -1.26 -5.02 135.00 126.45 2k5g n PRO 9 Ca -0.02 0.44 -0.08 0.00 -2.02 0.00 0.00 63.50 61.81 2k5g n PRO 9 Cb 0.52 -2.19 0.01 0.00 -0.02 0.00 0.00 33.50 31.81 2k5g n PRO 9 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2k5g s ASP 10 N -1.03 -0.05 0.57 2.55 2.15 -1.26 -5.03 116.67 114.57 2k5g s ASP 10 Ca 0.71 -0.99 0.30 0.00 0.43 0.00 0.00 52.55 53.00 2k5g s ASP 10 Cb -0.46 0.80 1.73 0.00 -0.30 0.00 0.00 42.92 44.69 2k5g s ASP 10 CO 0.51 -1.57 2.19 1.23 -0.17 0.00 0.00 175.17 177.36 2k5g h GLY 11 N 2.01 0.00 -4.14 2.66 0.00 -2.08 -3.42 103.07 98.10 2k5g h GLY 11 Ca -0.28 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.53 2k5g h GLY 11 CO 0.35 0.00 0.32 -2.38 0.00 0.00 0.00 176.54 174.83 2k5g s HIS 12 N -4.40 3.82 0.93 5.60 -3.43 -1.26 -5.05 115.29 111.51 2k5g s HIS 12 Ca -0.04 1.75 -0.14 0.00 -0.80 0.00 0.00 55.06 55.83 2k5g s HIS 12 Cb 0.14 -3.00 0.19 0.00 -1.43 0.00 0.00 32.58 28.48 2k5g s HIS 12 CO 0.55 0.26 1.29 0.20 -2.00 0.00 0.00 174.74 175.03 2k5g s GLY 13 N -0.18 1.77 0.30 -1.38 0.00 -1.26 -5.07 107.32 101.51 2k5g s GLY 13 Ca 0.44 -1.24 0.05 0.00 0.00 0.00 0.00 44.72 43.98 2k5g s GLY 13 CO 0.29 -0.49 0.20 0.00 0.00 0.00 0.00 173.10 173.09 2k5g n ALA 14 N -3.67 0.56 -2.61 3.20 0.00 -1.26 -5.10 120.51 111.64 2k5g n ALA 14 Ca 0.15 -1.69 -0.43 0.00 0.00 0.00 0.00 53.44 51.48 2k5g n ALA 14 Cb 0.60 1.28 -0.03 0.00 0.00 0.00 0.00 19.45 21.29 2k5g n ALA 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k5g s ARG 15 N -3.21 3.46 0.16 0.00 3.00 -1.26 -5.02 118.95 116.08 2k5g s ARG 15 Ca 0.28 0.04 -0.11 0.00 0.00 0.00 0.00 55.73 55.94 2k5g s ARG 15 Cb 0.01 -4.00 -0.07 0.00 0.00 0.00 0.00 34.95 30.90 2k5g s ARG 15 CO 0.20 -1.47 0.50 -0.51 0.00 0.00 0.00 175.30 174.02 2k5g s LEU 16 N 4.22 4.28 0.97 2.53 1.43 -1.26 -5.08 118.68 125.78 2k5g s LEU 16 Ca 0.37 0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 54.26 2k5g s LEU 16 Cb -0.10 -3.33 0.17 0.00 0.03 0.00 0.00 46.19 42.96 2k5g s LEU 16 CO 0.24 0.06 1.16 -1.81 0.23 0.00 0.00 176.35 176.23 2k5g s ASP 17 N -1.97 2.97 0.00 2.29 1.01 -1.26 -5.09 116.67 114.62 2k5g s ASP 17 Ca 0.40 0.81 0.00 0.00 0.71 0.00 0.00 52.55 54.47 2k5g s ASP 17 Cb -0.13 -1.25 0.00 0.00 1.01 0.00 0.00 42.92 42.54 2k5g s ASP 17 CO 0.20 -2.87 0.00 0.00 0.21 0.00 0.00 175.17 172.71 2k5g n ALA 18 N -3.95 0.00 -1.51 5.23 0.00 -1.26 -4.65 120.51 114.36 2k5g n ALA 18 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.35 2k5g n ALA 18 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 2k5g n ALA 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k5g n GLN 19 N -0.13 -1.33 -3.51 0.00 6.02 -1.26 -4.93 117.38 112.24 2k5g n GLN 19 Ca 0.00 1.12 -0.15 0.00 -0.01 0.00 0.00 57.00 57.95 2k5g n GLN 19 Cb 0.00 -5.41 -0.05 0.00 1.02 0.00 0.00 30.24 25.80 2k5g n GLN 19 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2k5g s SER 20 N -2.76 -0.58 -0.28 1.08 1.04 -1.26 -2.84 113.70 108.10 2k5g s SER 20 Ca 0.00 0.52 -0.10 0.00 0.48 0.00 0.00 55.95 56.85 2k5g s SER 20 Cb 0.00 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 2k5g s SER 20 CO 0.00 -0.62 0.15 -0.63 0.98 0.00 0.00 173.24 173.12 2k5g s ILE 21 N -1.67 4.85 -0.07 -1.02 -1.09 0.49 -4.95 121.20 117.74 2k5g s ILE 21 Ca -0.07 -0.08 -0.03 0.00 -2.23 0.00 0.00 60.65 58.24 2k5g s ILE 21 Cb -0.00 -3.34 0.04 0.00 -1.58 0.00 0.00 42.46 37.58 2k5g s ILE 21 CO 0.04 0.23 0.13 0.00 -1.23 0.00 0.00 174.94 174.10 2k5g s ARG 22 N 1.68 0.00 -0.09 2.79 3.03 -1.23 0.66 118.95 125.79 2k5g s ARG 22 Ca 0.06 0.50 -0.04 0.00 2.03 0.00 0.00 55.73 58.28 2k5g s ARG 22 Cb -0.16 -0.34 0.04 0.00 -1.03 0.00 0.00 34.95 33.46 2k5g s ARG 22 CO 0.08 -0.31 0.21 -0.06 -1.13 0.00 0.00 175.30 174.09 2k5g s PHE 23 N 2.21 -0.27 -0.24 5.89 0.08 -1.11 -4.97 117.98 119.58 2k5g s PHE 23 Ca 0.03 0.68 -0.10 0.00 0.12 0.00 0.00 56.93 57.66 2k5g s PHE 23 Cb -0.12 -0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.28 2k5g s PHE 23 CO -0.05 -0.21 0.15 -2.00 -0.10 0.00 0.00 175.22 173.01 2k5g s GLU 24 N 1.26 4.05 -0.02 0.44 2.12 -1.26 -1.37 118.70 123.92 2k5g s GLU 24 Ca -0.09 -0.28 0.06 0.00 0.36 0.00 0.00 54.97 55.02 2k5g s GLU 24 Cb -0.11 -3.51 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 2k5g s GLU 24 CO -0.08 0.07 -0.19 0.50 -0.54 0.00 0.00 175.26 175.03 2k5g s ARG 25 N 1.01 1.66 -0.08 4.30 3.52 0.50 -4.95 118.95 124.91 2k5g s ARG 25 Ca 0.07 -0.68 -0.22 0.00 -0.13 0.00 0.00 55.73 54.77 2k5g s ARG 25 Cb -0.13 -1.55 -0.04 0.00 -1.56 0.00 0.00 34.95 31.67 2k5g s ARG 25 CO 0.04 0.38 0.64 -1.17 -0.81 0.00 0.00 175.30 174.38 2k5g s LEU 26 N -0.33 4.30 0.12 -0.88 1.98 -1.26 -1.36 118.68 121.24 2k5g s LEU 26 Ca 0.05 1.08 0.07 0.00 -2.89 0.00 0.00 54.13 52.43 2k5g s LEU 26 Cb -0.09 -2.98 -0.04 0.00 0.66 0.00 0.00 46.19 43.75 2k5g s LEU 26 CO 0.00 -0.09 -0.16 -0.76 -1.89 0.00 0.00 176.35 173.45 2k5g s LEU 27 N 0.80 2.39 0.25 -0.68 1.43 0.89 -4.90 118.68 118.85 2k5g s LEU 27 Ca 0.34 -0.79 -0.25 0.00 -1.03 0.00 0.00 54.13 52.41 2k5g s LEU 27 Cb -0.17 -0.64 -0.09 0.00 0.03 0.00 0.00 46.19 45.33 2k5g s LEU 27 CO 0.16 -0.10 0.85 -2.16 0.23 0.00 0.00 176.35 175.33 2k5g s PRO 28 N -2.53 4.52 0.00 1.29 0.05 -1.26 0.16 135.00 137.23 2k5g s PRO 28 Ca 0.09 1.18 0.00 0.00 0.05 0.00 0.00 61.00 62.32 2k5g s PRO 28 Cb -0.06 -2.98 0.00 0.00 0.05 0.00 0.00 34.50 31.51 2k5g s PRO 28 CO 0.04 0.40 0.00 0.41 0.05 0.00 0.00 177.00 177.90 2k5g n GLY 29 N 0.94 3.18 0.08 0.56 0.00 -0.78 -4.29 105.19 104.87 2k5g n GLY 29 Ca -0.01 -1.99 -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 -0.09 0.00 1.61 0.13 -1.84 -1.90 132.00 129.91 2k5g h PRO 30 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2k5g h PRO 30 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2k5g h PRO 30 CO 0.00 -0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.28 2k5g n ILE 31 N -5.10 0.00 -0.23 -3.56 3.06 -1.26 -3.91 119.36 108.35 2k5g n ILE 31 Ca -0.08 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.12 2k5g n ILE 31 Cb 0.09 0.00 0.11 0.00 0.54 0.00 0.00 39.64 40.38 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 2k5g h GLU 32 N 0.00 1.07 0.44 9.51 4.81 -1.93 -2.68 114.58 125.80 2k5g h GLU 32 Ca 0.00 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2k5g h GLU 32 Cb 0.00 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 2k5g h GLU 32 CO 0.00 0.90 -0.26 -0.09 -0.73 0.00 0.00 179.01 178.84 2k5g h ARG 33 N 1.03 -0.64 -0.48 1.92 2.43 -1.92 -2.30 114.38 114.43 2k5g h ARG 33 Ca 0.23 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 2k5g h ARG 33 Cb 0.27 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2k5g h ARG 33 CO -0.01 -0.42 0.32 0.28 -1.51 0.00 0.00 179.97 178.62 2k5g h VAL 34 N -0.66 1.08 -0.82 0.20 2.07 -1.73 -1.97 116.25 114.42 2k5g h VAL 34 Ca -0.05 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 2k5g h VAL 34 Cb 0.53 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2k5g h VAL 34 CO 0.06 0.11 0.37 -0.25 0.02 0.00 0.00 177.57 177.88 2k5g h TRP 35 N 0.58 1.21 -0.68 1.57 2.91 -1.09 -2.94 115.95 117.51 2k5g h TRP 35 Ca 0.19 -0.07 0.13 0.00 1.13 0.00 0.00 58.89 60.27 2k5g h TRP 35 Cb 0.03 -0.37 -0.09 0.00 -0.51 0.00 0.00 29.16 28.22 2k5g h TRP 35 CO -0.00 0.89 0.21 0.00 -1.03 0.00 0.00 178.44 178.51 2k5g h ALA 36 N 1.22 0.89 0.00 2.65 0.00 -0.82 0.31 119.26 123.51 2k5g h ALA 36 Ca 0.28 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 2k5g h ALA 36 Cb 0.16 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2k5g h ALA 36 CO -0.03 -0.27 -0.38 -1.49 0.00 0.00 0.00 179.25 177.08 2k5g h TRP 37 N 0.34 0.00 0.00 0.00 6.55 -1.61 0.22 115.95 121.45 2k5g h TRP 37 Ca 0.37 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 60.06 2k5g h TRP 37 Cb 0.57 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.84 2k5g h TRP 37 CO -0.21 0.38 -0.72 -0.07 -1.05 0.00 0.00 178.44 176.76 2k5g h LEU 38 N 0.00 0.00 0.00 -4.49 3.38 -0.35 -3.37 115.31 110.48 2k5g h LEU 38 Ca -0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 2k5g h LEU 38 Cb 0.90 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 2k5g h LEU 38 CO 0.05 0.72 -2.43 0.00 0.09 0.00 0.00 178.44 176.87 2k5g n ALA 39 N -2.33 1.18 -2.70 1.53 0.00 0.28 -4.78 120.51 113.69 2k5g n ALA 39 Ca 0.00 -1.05 -0.42 0.00 0.00 0.00 0.00 53.44 51.97 2k5g n ALA 39 Cb 0.77 0.05 -0.02 0.00 0.00 0.00 0.00 19.45 20.24 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 -7.37 6.60 0.00 0.00 -1.08 0.75 -4.13 116.67 111.45 2k5g s ASP 40 Ca -0.38 -1.82 0.30 0.00 -0.52 0.00 0.00 52.55 50.13 2k5g s ASP 40 Cb 0.14 -2.51 1.62 0.00 -1.46 0.00 0.00 42.92 40.71 2k5g s ASP 40 CO 0.51 -1.30 2.07 0.00 0.52 0.00 0.00 175.17 176.98 2k5g n ALA 41 N 7.93 2.52 0.03 3.66 0.00 -1.26 -2.87 120.51 130.52 2k5g n ALA 41 Ca 0.32 -0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.43 2k5g n ALA 41 Cb 0.49 -1.48 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 2k5g n ALA 41 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k5g h ASP 42 N 0.00 0.33 -0.09 0.00 1.82 -1.85 -2.08 116.42 114.55 2k5g h ASP 42 Ca 0.00 -0.58 -0.00 0.00 -0.39 0.00 0.00 57.03 56.06 2k5g h ASP 42 Cb 0.15 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.05 2k5g h ASP 42 CO 0.00 1.51 0.06 0.50 -1.61 0.00 0.00 179.24 179.69 2k5g h LYS 43 N 0.06 0.13 -1.48 0.28 3.64 -1.91 -3.34 116.57 113.94 2k5g h LYS 43 Ca -0.32 -0.01 -0.45 0.00 -1.27 0.00 0.00 60.65 58.60 2k5g h LYS 43 Cb 2.03 -0.03 -0.41 0.00 -0.41 0.00 0.00 32.23 33.41 2k5g h LYS 43 CO 0.12 0.12 -1.07 0.54 -2.27 0.00 0.00 179.45 176.90 2k5g n ARG 44 N -5.00 1.69 0.28 1.90 3.00 -1.20 -4.79 116.66 112.53 2k5g n ARG 44 Ca -0.05 -3.66 0.18 0.00 -0.01 0.00 0.00 57.85 54.31 2k5g n ARG 44 Cb 0.05 -1.63 0.88 0.00 0.00 0.00 0.00 32.46 31.76 2k5g n ARG 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k5g h ALA 45 N 2.93 1.47 -0.33 7.54 0.00 -1.50 0.46 119.26 129.83 2k5g h ALA 45 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k5g h ALA 45 Cb 1.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2k5g h ALA 45 CO 0.59 -0.31 0.00 0.54 0.00 0.00 0.00 179.25 180.07 2k5g n ARG 46 N -3.21 2.44 -0.02 0.00 1.74 -1.26 -2.52 116.66 113.83 2k5g n ARG 46 Ca -0.00 -1.46 -0.03 0.00 -0.77 0.00 0.00 57.85 55.59 2k5g n ARG 46 Cb 0.35 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 2k5g n ARG 46 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2k5g n TRP 47 N 0.44 0.00 0.00 -1.55 4.27 0.16 -4.95 117.44 115.81 2k5g n TRP 47 Ca 0.13 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.74 2k5g n TRP 47 Cb 0.53 -0.14 0.00 0.00 -1.36 0.00 0.00 31.31 30.34 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 -2.62 0.00 -3.73 5.67 -0.00 -0.75 -4.89 117.00 110.69 2k5g n LEU 48 Ca -0.07 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.97 2k5g n LEU 48 Cb 0.57 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2k5g n LEU 48 CO 0.04 -0.02 1.13 0.00 -0.00 0.00 0.00 177.39 178.53 2k5g s ALA 49 N -3.14 -2.41 -0.39 1.96 0.00 -1.05 -4.78 121.76 111.96 2k5g s ALA 49 Ca 0.00 0.56 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 2k5g s ALA 49 Cb 0.00 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.64 2k5g s ALA 49 CO 0.00 -1.09 0.78 0.20 0.00 0.00 0.00 175.76 175.65 2k5g s GLY 50 N -3.27 1.64 0.00 0.00 0.00 -0.70 -4.27 107.32 100.72 2k5g s GLY 50 Ca 0.20 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.17 2k5g s GLY 50 CO -0.04 1.76 0.00 0.61 0.00 0.00 0.00 173.10 175.43 2k5g n GLY 51 N 4.66 -0.69 3.75 0.20 0.00 -1.26 -0.67 105.19 111.18 2k5g n GLY 51 Ca 0.03 0.69 -0.33 0.00 0.00 0.00 0.00 46.02 46.41 2k5g n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5g s GLU 52 N 0.00 2.46 0.03 1.61 -6.30 -1.26 -4.66 118.70 110.58 2k5g s GLU 52 Ca 0.00 1.45 -0.09 0.00 -2.50 0.00 0.00 54.97 53.83 2k5g s GLU 52 Cb 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 34.13 32.17 2k5g s GLU 52 CO 0.00 -1.52 0.34 -0.51 0.02 0.00 0.00 175.26 173.59 2k5g s LEU 53 N -5.19 4.38 1.09 2.70 1.43 -1.26 -4.78 118.68 117.05 2k5g s LEU 53 Ca 0.68 0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 54.35 2k5g s LEU 53 Cb -0.22 -2.76 0.23 0.00 0.03 0.00 0.00 46.19 43.48 2k5g s LEU 53 CO 0.45 0.24 1.09 -2.84 0.23 0.00 0.00 176.35 175.52 2k5g s PRO 54 N -1.67 -0.33 -0.00 1.29 0.02 -1.26 -5.01 135.00 128.04 2k5g s PRO 54 Ca 0.29 0.32 0.06 0.00 0.02 0.00 0.00 61.00 61.68 2k5g s PRO 54 Cb -0.14 -1.67 -0.08 0.00 0.02 0.00 0.00 34.50 32.63 2k5g s PRO 54 CO 0.16 -3.20 0.20 0.54 -0.33 0.00 0.00 177.00 174.37 2k5g n ARG 55 N -4.47 2.50 -3.42 5.54 1.74 -1.26 -4.98 116.66 112.31 2k5g n ARG 55 Ca 0.08 -0.03 -0.36 0.00 -0.77 0.00 0.00 57.85 56.76 2k5g n ARG 55 Cb 0.58 -0.98 -0.06 0.00 -1.02 0.00 0.00 32.46 30.98 2k5g n ARG 55 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2k5g s GLN 56 N -2.03 3.95 0.17 5.56 -0.21 -1.26 -5.07 119.66 120.76 2k5g s GLN 56 Ca -0.00 0.44 -0.30 0.00 0.02 0.00 0.00 55.36 55.52 2k5g s GLN 56 Cb 0.04 -3.05 -0.07 0.00 1.00 0.00 0.00 33.01 30.93 2k5g s GLN 56 CO 0.26 0.56 0.99 -1.25 -2.12 0.00 0.00 175.29 173.73 2k5g s PRO 57 N -1.65 4.72 0.00 2.91 0.05 -1.26 -3.56 135.00 136.21 2k5g s PRO 57 Ca 0.33 1.53 0.00 0.00 0.05 0.00 0.00 61.00 62.90 2k5g s PRO 57 Cb -0.16 -3.32 0.00 0.00 0.05 0.00 0.00 34.50 31.07 2k5g s PRO 57 CO 0.18 0.28 0.00 0.41 0.05 0.00 0.00 177.00 177.92 2k5g n GLY 58 N 1.94 0.77 3.92 0.56 0.00 -0.03 -5.03 105.19 107.32 2k5g n GLY 58 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.72 2.93 -0.06 1.61 -0.21 -1.23 -4.75 119.66 117.23 2k5g s GLN 59 Ca 0.00 -0.09 0.04 0.00 0.02 0.00 0.00 55.36 55.32 2k5g s GLN 59 Cb 0.00 -2.32 -0.02 0.00 1.00 0.00 0.00 33.01 31.67 2k5g s GLN 59 CO 0.00 -0.64 -0.16 0.95 -2.12 0.00 0.00 175.29 173.32 2k5g s THR 60 N -2.92 2.91 0.34 -0.19 -4.23 -1.26 -0.70 115.64 109.59 2k5g s THR 60 Ca 0.53 -0.77 0.09 0.00 -1.18 0.00 0.00 61.69 60.36 2k5g s THR 60 Cb -0.10 -2.13 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 2k5g s THR 60 CO 0.44 0.58 0.07 0.72 -0.54 0.00 0.00 174.62 175.89 2k5g s PHE 61 N -0.57 2.63 -0.11 3.99 -0.71 -0.12 -4.91 117.98 118.17 2k5g s PHE 61 Ca 0.08 -0.40 0.01 0.00 -1.04 0.00 0.00 56.93 55.58 2k5g s PHE 61 Cb -0.11 -1.54 -0.02 0.00 -1.21 0.00 0.00 43.02 40.14 2k5g s PHE 61 CO 0.01 0.42 -0.12 -1.83 -1.34 0.00 0.00 175.22 172.36 2k5g s GLU 62 N -3.77 3.15 0.26 1.99 4.04 -1.26 -0.53 118.70 122.58 2k5g s GLU 62 Ca 0.36 -0.67 0.07 0.00 0.04 0.00 0.00 54.97 54.77 2k5g s GLU 62 Cb -0.01 -2.58 -0.04 0.00 0.02 0.00 0.00 34.13 31.52 2k5g s GLU 62 CO 0.21 0.34 0.18 -0.51 -1.84 0.00 0.00 175.26 173.64 2k5g s LEU 63 N 0.02 3.70 -0.18 1.83 1.43 -0.61 -4.40 118.68 120.47 2k5g s LEU 63 Ca -0.04 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 2k5g s LEU 63 Cb -0.14 -2.24 0.06 0.00 0.03 0.00 0.00 46.19 43.90 2k5g s LEU 63 CO 0.04 -0.07 0.07 -1.00 0.23 0.00 0.00 176.35 175.62 2k5g s HIS 64 N -2.18 0.54 -0.94 0.29 3.76 0.15 -1.90 115.29 115.01 2k5g s HIS 64 Ca 0.34 -0.53 -0.20 0.00 -0.15 0.00 0.00 55.06 54.51 2k5g s HIS 64 Cb -0.07 -0.83 -0.11 0.00 1.11 0.00 0.00 32.58 32.68 2k5g s HIS 64 CO 0.24 -0.55 2.00 0.34 -0.85 0.00 0.00 174.74 175.93 2k5g n PHE 65 N 5.18 2.29 -4.03 1.40 7.35 -0.35 -1.72 117.46 127.58 2k5g n PHE 65 Ca -0.08 -2.09 0.00 0.00 -0.76 0.00 0.00 57.45 54.52 2k5g n PHE 65 Cb 0.48 -1.92 0.00 0.00 0.35 0.00 0.00 39.48 38.39 2k5g n PHE 65 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k5g n ASN 66 N 7.23 -1.30 0.00 -2.13 4.05 -1.26 -4.00 115.26 117.84 2k5g n ASN 66 Ca 0.50 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.53 2k5g n ASN 66 Cb 0.40 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.41 2k5g n ASN 66 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k5g n HIS 67 N 0.00 0.00 0.00 1.20 1.44 -1.25 -3.19 115.22 113.42 2k5g n HIS 67 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2k5g n HIS 67 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 0.00 0.00 0.00 1.59 0.00 -1.26 -4.68 120.51 116.16 2k5g n ALA 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k5g n ALA 68 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.31 0.00 0.00 -1.26 -5.15 120.51 112.79 2k5g n ALA 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k5g n ALA 69 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k5g n ALA 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k5g n LEU 70 N -1.28 0.00 0.00 0.00 4.77 -1.26 -5.10 117.00 114.13 2k5g n LEU 70 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2k5g n LEU 70 Cb 0.00 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2k5g n LEU 70 CO 0.00 -0.00 0.43 0.35 -1.33 0.00 0.00 177.39 176.84 2k5g n THR 71 N -0.01 0.00 -0.98 -5.08 -2.24 -1.26 -4.35 114.28 100.36 2k5g n THR 71 Ca 0.00 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2k5g n THR 71 Cb 0.00 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 66.60 2k5g n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k5g n ALA 72 N -3.36 0.00 -0.26 6.98 0.00 -1.26 -4.66 120.51 117.94 2k5g n ALA 72 Ca -0.11 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.39 2k5g n ALA 72 Cb 0.31 -0.59 0.29 0.00 0.00 0.00 0.00 19.45 19.45 2k5g n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k5g h GLU 73 N 0.70 0.88 -5.03 0.00 4.81 -1.92 -3.35 114.58 110.68 2k5g h GLU 73 Ca 0.00 -0.05 -0.66 0.00 -0.13 0.00 0.00 59.36 58.51 2k5g h GLU 73 Cb 0.37 -0.20 -0.32 0.00 0.63 0.00 0.00 28.75 29.23 2k5g h GLU 73 CO 0.00 0.58 -0.80 0.99 -0.73 0.00 0.00 179.01 179.05 2k5g s THR 74 N -5.81 2.61 -0.15 0.32 2.01 -1.26 -5.06 115.64 108.30 2k5g s THR 74 Ca -0.11 -0.76 -0.31 0.00 0.31 0.00 0.00 61.69 60.83 2k5g s THR 74 Cb 0.20 -2.14 0.13 0.00 0.01 0.00 0.00 72.50 70.70 2k5g s THR 74 CO 0.79 0.49 1.06 0.00 -0.69 0.00 0.00 174.62 176.27 2k5g s ALA 75 N 1.37 -1.96 1.00 7.40 0.00 -1.25 -5.02 121.76 123.30 2k5g s ALA 75 Ca 0.05 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2k5g s ALA 75 Cb -0.14 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2k5g s ALA 75 CO -0.09 -0.43 0.00 -0.35 0.00 0.00 0.00 175.76 174.89 2k5g n PRO 76 N 0.35 0.02 -1.39 0.00 -0.04 -1.26 -4.36 135.00 128.32 2k5g n PRO 76 Ca -0.07 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.04 2k5g n PRO 76 Cb 0.59 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.14 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 -3.00 0.00 0.00 0.55 0.00 -1.26 -0.71 120.51 116.10 2k5g n ALA 77 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2k5g n ALA 77 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.29 2k5g n ALA 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2k5g n ARG 78 N -2.03 0.00 -0.06 0.00 0.63 -1.26 -4.45 116.66 109.50 2k5g n ARG 78 Ca 0.14 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.99 2k5g n ARG 78 Cb 0.49 -0.30 -0.15 0.00 0.45 0.00 0.00 32.46 32.96 2k5g n ARG 78 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2k5g n TYR 79 N 0.00 0.43 0.45 -0.14 4.01 -1.00 -3.74 117.16 117.17 2k5g n TYR 79 Ca 0.00 0.15 0.10 0.00 -0.16 0.00 0.00 57.90 57.99 2k5g n TYR 79 Cb 0.00 -1.04 0.41 0.00 -0.31 0.00 0.00 39.34 38.40 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k5g n ALA 80 N -2.62 1.67 0.37 -0.72 0.00 0.12 -1.86 120.51 117.47 2k5g n ALA 80 Ca -0.24 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.35 2k5g n ALA 80 Cb 1.06 -1.32 0.26 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 0.00 4.15 -1.83 -3.11 115.11 114.32 2k5g h GLN 81 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k5g h GLN 81 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 2k5g h GLN 81 CO 0.00 0.00 -0.16 0.66 -1.93 0.00 0.00 178.83 177.40 2k5g n TYR 82 N -2.80 0.78 1.26 3.99 4.01 -0.77 -3.06 117.16 120.57 2k5g n TYR 82 Ca 0.04 0.23 0.13 0.00 -0.16 0.00 0.00 57.90 58.14 2k5g n TYR 82 Cb 0.49 -0.84 0.43 0.00 -0.31 0.00 0.00 39.34 39.11 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 -2.17 0.83 -4.63 7.72 2.03 -1.18 -4.83 116.55 114.32 2k5g n ASP 83 Ca 0.05 -0.74 -0.32 0.00 0.52 0.00 0.00 54.79 54.30 2k5g n ASP 83 Cb 0.43 0.08 -0.10 0.00 -0.72 0.00 0.00 41.12 40.81 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 -2.54 2.61 -0.69 -0.67 0.52 -1.17 -3.81 118.95 113.20 2k5g s ARG 84 Ca 0.24 -0.70 -0.26 0.00 -0.52 0.00 0.00 55.73 54.50 2k5g s ARG 84 Cb 0.19 -2.55 -0.07 0.00 0.52 0.00 0.00 34.95 33.04 2k5g s ARG 84 CO 0.52 0.60 2.17 -1.25 0.02 0.00 0.00 175.30 177.37 2k5g s PRO 85 N -1.51 2.19 -0.44 3.54 0.04 -1.19 -4.65 135.00 132.98 2k5g s PRO 85 Ca 0.18 0.58 -0.24 0.00 0.04 0.00 0.00 61.00 61.56 2k5g s PRO 85 Cb -0.11 -4.70 0.02 0.00 0.04 0.00 0.00 34.50 29.75 2k5g s PRO 85 CO 0.09 -3.49 0.85 0.42 0.04 0.00 0.00 177.00 174.92 2k5g s ILE 86 N 11.68 4.58 -0.52 0.56 1.01 -1.26 -4.75 121.20 132.49 2k5g s ILE 86 Ca 0.83 0.69 -0.23 0.00 0.00 0.00 0.00 60.65 61.94 2k5g s ILE 86 Cb -0.12 -4.35 0.04 0.00 0.01 0.00 0.00 42.46 38.03 2k5g s ILE 86 CO 0.14 -0.71 0.85 0.54 0.00 0.00 0.00 174.94 175.75 2k5g s VAL 87 N 3.47 4.54 -0.19 2.92 0.11 -1.25 -1.22 120.40 128.78 2k5g s VAL 87 Ca 0.34 0.14 -0.00 0.00 -2.93 0.00 0.00 61.98 59.52 2k5g s VAL 87 Cb -0.11 -4.45 0.05 0.00 -1.53 0.00 0.00 36.38 30.34 2k5g s VAL 87 CO 0.23 -0.98 -0.05 0.00 -3.33 0.00 0.00 175.10 170.97 2k5g s ALA 88 N 3.55 1.63 0.31 1.54 0.00 -0.80 -4.92 121.76 123.07 2k5g s ALA 88 Ca 0.27 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 2k5g s ALA 88 Cb -0.14 -1.24 -0.09 0.00 0.00 0.00 0.00 23.12 21.65 2k5g s ALA 88 CO 0.18 -0.96 0.76 -0.98 0.00 0.00 0.00 175.76 174.76 2k5g s ARG 89 N 1.56 4.11 0.05 0.00 1.70 -1.26 -1.58 118.95 123.53 2k5g s ARG 89 Ca -0.02 0.78 -0.04 0.00 -0.47 0.00 0.00 55.73 55.98 2k5g s ARG 89 Cb -0.17 -2.54 -0.02 0.00 -0.57 0.00 0.00 34.95 31.66 2k5g s ARG 89 CO -0.07 0.21 0.07 -1.01 -1.08 0.00 0.00 175.30 173.41 2k5g s HIS 90 N -1.87 0.30 -0.04 5.89 3.76 0.31 -4.93 115.29 118.71 2k5g s HIS 90 Ca 0.52 -0.71 -0.13 0.00 -0.15 0.00 0.00 55.06 54.59 2k5g s HIS 90 Cb -0.12 -0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.31 2k5g s HIS 90 CO 0.18 -0.40 0.33 0.99 -0.85 0.00 0.00 174.74 174.99 2k5g s THR 91 N -3.25 5.17 -0.29 1.30 2.01 -1.26 -0.95 115.64 118.37 2k5g s THR 91 Ca 0.01 0.66 -0.28 0.00 0.31 0.00 0.00 61.69 62.38 2k5g s THR 91 Cb 0.03 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.93 2k5g s THR 91 CO -0.08 0.58 1.00 -0.76 -0.69 0.00 0.00 174.62 174.68 2k5g s LEU 92 N -1.01 4.01 0.00 4.42 1.02 0.13 -1.45 118.68 125.80 2k5g s LEU 92 Ca 0.21 1.07 0.00 0.00 0.02 0.00 0.00 54.13 55.43 2k5g s LEU 92 Cb -0.15 -3.44 0.00 0.00 0.02 0.00 0.00 46.19 42.62 2k5g s LEU 92 CO 0.10 -0.75 0.00 -0.11 0.02 0.00 0.00 176.35 175.61 2k5g n LEU 93 N 6.55 0.85 -3.94 1.79 7.94 0.62 -0.85 117.00 129.95 2k5g n LEU 93 Ca 0.10 0.14 -0.30 0.00 -1.11 0.00 0.00 56.01 54.84 2k5g n LEU 93 Cb 0.47 -0.25 -0.13 0.00 0.53 0.00 0.00 43.42 44.05 2k5g n LEU 93 CO 0.55 -0.25 -0.09 -0.60 -1.11 0.00 0.00 177.39 175.90 2k5g s ARG 94 N -0.49 2.26 -0.51 1.96 3.52 -1.21 -4.55 118.95 119.93 2k5g s ARG 94 Ca 0.00 -2.94 -0.13 0.00 -0.13 0.00 0.00 55.73 52.52 2k5g s ARG 94 Cb 0.00 -3.41 0.12 0.00 -1.56 0.00 0.00 34.95 30.10 2k5g s ARG 94 CO 0.00 -1.19 0.44 0.00 -0.81 0.00 0.00 175.30 173.74 2k5g s GLU 96 N 1.51 1.73 0.34 0.00 2.02 0.14 -4.88 118.70 119.56 2k5g s GLU 96 Ca 0.04 -2.53 -0.24 0.00 0.02 0.00 0.00 54.97 52.26 2k5g s GLU 96 Cb -0.28 -2.77 -0.10 0.00 0.10 0.00 0.00 34.13 31.08 2k5g s GLU 96 CO 0.02 -1.21 0.92 -2.14 0.02 0.00 0.00 175.26 172.87 2k5g s PRO 97 N -0.33 4.44 -0.48 0.39 0.02 -1.26 -1.90 135.00 135.89 2k5g s PRO 97 Ca 0.21 1.21 -0.14 0.00 0.02 0.00 0.00 61.00 62.30 2k5g s PRO 97 Cb -0.16 -2.64 0.09 0.00 0.02 0.00 0.00 34.50 31.81 2k5g s PRO 97 CO -0.07 0.21 0.39 -1.25 -0.33 0.00 0.00 177.00 175.95 2k5g s PRO 98 N -2.36 2.88 0.19 5.54 0.04 -1.26 -4.99 135.00 135.04 2k5g s PRO 98 Ca 0.53 -1.47 0.00 0.00 0.04 0.00 0.00 61.00 60.10 2k5g s PRO 98 Cb -0.16 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.29 2k5g s PRO 98 CO 0.20 -1.09 0.00 0.54 0.04 0.00 0.00 177.00 176.70 2k5g n ARG 99 N 5.14 0.00 -4.59 4.56 5.12 -0.96 -4.96 116.66 120.97 2k5g n ARG 99 Ca -0.12 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.56 2k5g n ARG 99 Cb 0.43 0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.56 2k5g n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2k5g s VAL 100 N -1.61 1.11 0.01 1.55 1.01 -0.80 -2.45 120.40 119.22 2k5g s VAL 100 Ca 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.52 2k5g s VAL 100 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2k5g s VAL 100 CO 0.00 0.34 -0.14 -1.48 0.00 0.00 0.00 175.10 173.82 2k5g s LEU 101 N 0.38 2.09 -0.03 3.92 0.05 -0.33 0.25 118.68 125.01 2k5g s LEU 101 Ca -0.09 -0.34 -0.01 0.00 0.05 0.00 0.00 54.13 53.74 2k5g s LEU 101 Cb -0.13 -0.69 0.03 0.00 -2.05 0.00 0.00 46.19 43.35 2k5g s LEU 101 CO 0.02 0.12 0.05 0.00 -0.55 0.00 0.00 176.35 176.00 2k5g s ALA 102 N -0.55 0.05 0.39 1.48 0.00 -0.23 0.03 121.76 122.94 2k5g s ALA 102 Ca 0.04 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.40 2k5g s ALA 102 Cb -0.06 -0.34 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 2k5g s ALA 102 CO 0.00 -0.18 0.03 -0.48 0.00 0.00 0.00 175.76 175.13 2k5g s LEU 103 N 1.27 2.57 0.08 0.00 2.34 -0.28 -0.27 118.68 124.38 2k5g s LEU 103 Ca -0.07 -1.41 0.01 0.00 0.06 0.00 0.00 54.13 52.72 2k5g s LEU 103 Cb -0.13 -0.69 -0.04 0.00 -0.56 0.00 0.00 46.19 44.77 2k5g s LEU 103 CO -0.03 -0.55 0.20 0.42 -1.06 0.00 0.00 176.35 175.33 2k5g s THR 104 N -2.93 5.26 -0.44 5.48 -4.23 -0.53 0.87 115.64 119.12 2k5g s THR 104 Ca 0.33 -0.49 0.03 0.00 -1.18 0.00 0.00 61.69 60.37 2k5g s THR 104 Cb 0.09 -3.58 0.13 0.00 1.34 0.00 0.00 72.50 70.47 2k5g s THR 104 CO 0.16 0.10 0.21 0.86 -0.54 0.00 0.00 174.62 175.41 2k5g s TRP 105 N -1.53 2.48 0.00 3.99 -0.11 0.22 -4.52 118.94 119.47 2k5g s TRP 105 Ca 0.34 -2.63 0.00 0.00 1.22 0.00 0.00 56.10 55.03 2k5g s TRP 105 Cb -0.13 -2.25 0.00 0.00 -1.50 0.00 0.00 33.47 29.59 2k5g s TRP 105 CO 0.27 -0.80 0.00 0.41 -4.62 0.00 0.00 176.95 172.22 2k5g n GLY 106 N 3.62 -0.52 0.00 5.86 0.00 -1.26 -3.31 105.19 109.58 2k5g n GLY 106 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.68 0.00 -0.02 0.00 -1.26 -4.94 105.19 99.64 2k5g n GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k5g n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 108 N -1.93 0.43 3.57 -0.02 0.00 -1.26 -5.07 105.19 100.90 2k5g n GLY 108 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2k5g n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g s ALA 109 N -3.90 -1.23 0.00 4.61 0.00 -1.26 -5.02 121.76 114.96 2k5g s ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2k5g s ALA 109 Cb 0.00 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.98 2k5g s ALA 109 CO 0.00 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.32 2k5g n GLY 110 N -0.38 2.91 0.58 0.00 0.00 -1.26 -4.99 105.19 102.05 2k5g n GLY 110 Ca -0.11 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.09 2k5g n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k5g n GLU 111 N 0.00 0.11 -1.64 1.61 4.07 -1.26 -5.15 120.64 118.38 2k5g n GLU 111 Ca 0.00 -0.24 -0.38 0.00 -0.06 0.00 0.00 57.16 56.47 2k5g n GLU 111 Cb 0.00 0.32 0.04 0.00 -0.06 0.00 0.00 31.44 31.75 2k5g n GLU 111 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k5g n ALA 112 N -2.66 0.48 -1.71 4.31 0.00 -1.26 -4.85 120.51 114.82 2k5g n ALA 112 Ca -0.02 0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 2k5g n ALA 112 Cb 0.09 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.36 2k5g n ALA 112 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2k5g n PRO 113 N -0.83 2.47 -0.98 0.00 -0.02 -1.26 -4.92 135.00 129.46 2k5g n PRO 113 Ca 0.12 0.88 -0.29 0.00 -2.02 0.00 0.00 63.50 62.20 2k5g n PRO 113 Cb 0.45 -2.63 0.21 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.54 1.67 0.05 2.55 0.01 -1.21 -4.82 113.70 112.49 2k5g s SER 114 Ca 0.68 1.10 0.00 0.00 1.31 0.00 0.00 55.95 59.03 2k5g s SER 114 Cb -0.56 -1.69 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 2k5g s SER 114 CO 0.46 -3.71 -0.05 -1.83 0.41 0.00 0.00 173.24 168.52 2k5g s GLU 115 N -4.96 0.59 -0.14 12.44 -1.05 -0.45 0.72 118.70 125.84 2k5g s GLU 115 Ca 0.67 -1.04 -0.00 0.00 -0.15 0.00 0.00 54.97 54.46 2k5g s GLU 115 Cb -0.18 0.00 0.03 0.00 -0.44 0.00 0.00 34.13 33.54 2k5g s GLU 115 CO 0.59 -0.05 -0.10 0.08 0.95 0.00 0.00 175.26 176.73 2k5g s VAL 116 N -2.89 1.30 -0.23 1.83 1.01 0.25 0.03 120.40 121.70 2k5g s VAL 116 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 2k5g s VAL 116 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2k5g s VAL 116 CO -0.05 0.36 0.12 -0.76 0.00 0.00 0.00 175.10 174.77 2k5g s LEU 117 N 1.59 3.90 -0.29 3.92 2.01 0.14 -1.13 118.68 128.82 2k5g s LEU 117 Ca 0.04 0.03 -0.09 0.00 0.01 0.00 0.00 54.13 54.12 2k5g s LEU 117 Cb -0.13 -2.04 -0.02 0.00 0.01 0.00 0.00 46.19 44.01 2k5g s LEU 117 CO -0.09 0.06 0.13 -0.36 1.01 0.00 0.00 176.35 177.10 2k5g s PHE 118 N 1.09 3.15 -0.22 0.29 0.08 0.11 -0.62 117.98 121.86 2k5g s PHE 118 Ca 0.06 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.70 2k5g s PHE 118 Cb -0.14 -2.32 0.06 0.00 -0.57 0.00 0.00 43.02 40.05 2k5g s PHE 118 CO 0.04 -0.38 -0.04 -1.21 -0.10 0.00 0.00 175.22 173.54 2k5g s GLU 119 N 1.64 1.46 -0.17 0.44 2.02 -1.05 -1.18 118.70 121.85 2k5g s GLU 119 Ca 0.06 -0.84 -0.10 0.00 0.02 0.00 0.00 54.97 54.11 2k5g s GLU 119 Cb -0.16 -2.44 -0.05 0.00 0.10 0.00 0.00 34.13 31.58 2k5g s GLU 119 CO 0.06 -0.58 0.15 -0.51 0.02 0.00 0.00 175.26 174.41 2k5g s LEU 120 N 1.50 4.26 -0.01 1.80 1.43 -1.03 -1.83 118.68 124.81 2k5g s LEU 120 Ca -0.04 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 2k5g s LEU 120 Cb -0.18 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 2k5g s LEU 120 CO -0.07 0.23 -0.11 -0.44 0.23 0.00 0.00 176.35 176.20 2k5g s SER 121 N -0.02 4.34 -0.19 2.29 0.01 0.26 -4.84 113.70 115.55 2k5g s SER 121 Ca 0.11 -0.19 -0.09 0.00 1.31 0.00 0.00 55.95 57.10 2k5g s SER 121 Cb -0.12 -0.95 -0.04 0.00 0.21 0.00 0.00 66.02 65.12 2k5g s SER 121 CO 0.00 0.31 0.09 -1.83 0.41 0.00 0.00 173.24 172.22 2k5g s GLU 122 N -1.16 4.07 0.00 12.44 -1.05 -1.26 -1.68 118.70 130.06 2k5g s GLU 122 Ca 0.15 -0.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.68 2k5g s GLU 122 Cb -0.11 -3.31 0.00 0.00 -0.44 0.00 0.00 34.13 30.27 2k5g s GLU 122 CO 0.04 0.28 0.00 0.00 0.95 0.00 0.00 175.26 176.53 2k5g n ALA 123 N 3.54 0.00 -1.90 -0.84 0.00 0.47 -4.97 120.51 116.81 2k5g n ALA 123 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.02 2k5g n ALA 123 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 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 3.89 0.70 2.48 0.00 0.00 -1.26 -3.38 105.19 107.63 2k5g n GLY 124 Ca 0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 2k5g n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5g n GLU 125 N 8.19 -1.36 -4.24 1.61 1.02 -1.26 -4.98 120.64 119.62 2k5g n GLU 125 Ca 0.44 1.08 -0.16 0.00 -0.02 0.00 0.00 57.16 58.49 2k5g n GLU 125 Cb 0.46 -5.45 -0.11 0.00 -0.02 0.00 0.00 31.44 26.33 2k5g n GLU 125 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2k5g s GLN 126 N -4.02 1.02 -0.10 3.49 -0.21 -0.72 -1.87 119.66 117.25 2k5g s GLN 126 Ca 0.00 -1.29 0.01 0.00 0.02 0.00 0.00 55.36 54.10 2k5g s GLN 126 Cb 0.00 -0.79 0.02 0.00 1.00 0.00 0.00 33.01 33.24 2k5g s GLN 126 CO 0.00 0.14 -0.12 0.08 -2.12 0.00 0.00 175.29 173.26 2k5g s VAL 127 N -2.50 1.28 -0.33 1.09 1.01 0.12 -0.39 120.40 120.68 2k5g s VAL 127 Ca 0.11 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 2k5g s VAL 127 Cb -0.03 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 2k5g s VAL 127 CO 0.02 0.40 0.51 -0.13 0.00 0.00 0.00 175.10 175.90 2k5g s ARG 128 N 1.17 3.72 -0.18 2.72 0.52 -0.68 -0.08 118.95 126.14 2k5g s ARG 128 Ca -0.04 -0.06 -0.04 0.00 -0.52 0.00 0.00 55.73 55.07 2k5g s ARG 128 Cb -0.14 -3.77 -0.02 0.00 0.52 0.00 0.00 34.95 31.53 2k5g s ARG 128 CO -0.03 -0.58 -0.04 -1.17 0.02 0.00 0.00 175.30 173.51 2k5g s LEU 129 N 2.37 3.11 -0.24 2.53 2.96 -0.47 -0.57 118.68 128.37 2k5g s LEU 129 Ca 0.19 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.82 2k5g s LEU 129 Cb -0.15 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 2k5g s LEU 129 CO 0.12 0.09 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.55 2k5g s VAL 130 N 0.83 3.57 -0.49 1.68 1.01 -0.76 -0.37 120.40 125.88 2k5g s VAL 130 Ca -0.01 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 2k5g s VAL 130 Cb -0.15 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.59 2k5g s VAL 130 CO 0.02 0.35 0.81 -0.22 0.00 0.00 0.00 175.10 176.05 2k5g s LEU 131 N 1.49 4.31 -0.64 3.92 0.20 -0.47 -2.52 118.68 124.98 2k5g s LEU 131 Ca 0.05 -0.30 -0.12 0.00 0.69 0.00 0.00 54.13 54.46 2k5g s LEU 131 Cb -0.15 -2.85 0.16 0.00 -0.43 0.00 0.00 46.19 42.93 2k5g s LEU 131 CO -0.01 -1.01 0.55 -0.89 -0.29 0.00 0.00 176.35 174.70 2k5g s THR 132 N 3.39 4.89 -0.44 3.68 2.01 0.21 -2.73 115.64 126.65 2k5g s THR 132 Ca 0.28 -2.12 -0.18 0.00 0.31 0.00 0.00 61.69 59.98 2k5g s THR 132 Cb -0.13 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.29 2k5g s THR 132 CO 0.20 -0.90 0.50 -2.28 -0.69 0.00 0.00 174.62 171.45 2k5g s HIS 133 N 0.80 3.14 0.36 4.92 5.04 0.21 0.25 115.29 130.01 2k5g s HIS 133 Ca 0.11 -0.37 0.07 0.00 -1.54 0.00 0.00 55.06 53.34 2k5g s HIS 133 Cb -0.21 -3.09 -0.02 0.00 0.04 0.00 0.00 32.58 29.30 2k5g s HIS 133 CO -0.03 -0.79 0.34 0.99 -2.34 0.00 0.00 174.74 172.92 2k5g s THR 134 N 2.31 3.27 -0.40 0.89 2.01 0.10 -0.38 115.64 123.45 2k5g s THR 134 Ca 0.14 -1.32 -0.00 0.00 0.31 0.00 0.00 61.69 60.82 2k5g s THR 134 Cb -0.17 -3.13 -0.00 0.00 0.01 0.00 0.00 72.50 69.20 2k5g s THR 134 CO 0.14 -0.11 0.34 0.54 -0.69 0.00 0.00 174.62 174.84 2k5g n ARG 135 N -1.47 -2.05 -3.54 4.92 5.12 -1.26 -1.34 116.66 117.04 2k5g n ARG 135 Ca 0.00 0.29 -0.41 0.00 -1.93 0.00 0.00 57.85 55.80 2k5g n ARG 135 Cb 0.60 -3.56 -0.08 0.00 -1.16 0.00 0.00 32.46 28.27 2k5g n ARG 135 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2k5g s LEU 136 N -3.52 5.77 0.19 0.55 1.43 -1.13 -4.40 118.68 117.57 2k5g s LEU 136 Ca 0.02 -2.02 0.23 0.00 -1.03 0.00 0.00 54.13 51.33 2k5g s LEU 136 Cb -0.00 -2.03 0.08 0.00 0.03 0.00 0.00 46.19 44.27 2k5g s LEU 136 CO 0.25 -0.68 1.12 0.00 0.23 0.00 0.00 176.35 177.27 2k5g h ALA 137 N 8.34 0.53 -2.53 4.21 0.00 -1.96 -3.42 119.26 124.42 2k5g h ALA 137 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2k5g h ALA 137 Cb 1.06 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.67 2k5g h ALA 137 CO 0.86 0.00 -0.27 0.34 0.00 0.00 0.00 179.25 180.17 2k5g s ASP 138 N -5.13 -0.15 0.40 0.00 -1.08 -1.26 -5.03 116.67 104.42 2k5g s ASP 138 Ca 0.01 -0.05 0.11 0.00 -0.52 0.00 0.00 52.55 52.11 2k5g s ASP 138 Cb 0.10 0.33 0.93 0.00 -1.46 0.00 0.00 42.92 42.82 2k5g s ASP 138 CO 0.77 -0.52 1.95 0.03 0.52 0.00 0.00 175.17 177.92 2k5g h ARG 139 N 3.60 0.53 0.00 4.34 2.47 -1.97 -0.04 114.38 123.31 2k5g h ARG 139 Ca -0.31 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.35 2k5g h ARG 139 Cb 1.19 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 2k5g h ARG 139 CO 0.43 0.35 -0.17 0.00 0.56 0.00 0.00 179.97 181.13 2k5g h ALA 140 N 1.65 1.70 0.11 0.04 0.00 -1.96 0.15 119.26 120.95 2k5g h ALA 140 Ca 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2k5g h ALA 140 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k5g h ALA 140 CO -0.11 0.22 -0.05 0.00 0.00 0.00 0.00 179.25 179.30 2k5g h ALA 141 N 1.83 -0.15 -0.90 0.00 0.00 -1.41 0.33 119.26 118.96 2k5g h ALA 141 Ca -0.00 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.85 2k5g h ALA 141 Cb 0.31 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 2k5g h ALA 141 CO 0.02 -0.35 0.48 1.98 0.00 0.00 0.00 179.25 181.38 2k5g h MET 142 N -0.61 0.63 0.00 0.00 -1.53 -1.34 0.20 114.93 112.27 2k5g h MET 142 Ca -0.02 -0.04 -0.08 0.00 -3.44 0.00 0.00 59.70 56.13 2k5g h MET 142 Cb 0.48 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.38 2k5g h MET 142 CO 0.03 0.42 -0.37 -0.07 0.14 0.00 0.00 176.91 177.05 2k5g h LEU 143 N 0.65 0.00 -0.15 3.39 3.38 -0.45 0.14 115.31 122.27 2k5g h LEU 143 Ca 0.50 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.43 2k5g h LEU 143 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2k5g h LEU 143 CO -0.38 0.37 -0.07 -0.78 0.09 0.00 0.00 178.44 177.67 2k5g h ASP 144 N 0.00 0.32 1.40 -0.43 3.58 0.27 -2.91 116.42 118.65 2k5g h ASP 144 Ca -0.00 -0.41 -0.07 0.00 0.42 0.00 0.00 57.03 56.97 2k5g h ASP 144 Cb 0.69 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 2k5g h ASP 144 CO 0.05 0.66 -0.32 -0.37 -2.88 0.00 0.00 179.24 176.38 2k5g h VAL 145 N -0.02 0.60 -0.63 2.25 -1.51 -1.21 -3.20 116.25 112.53 2k5g h VAL 145 Ca 0.03 -1.63 0.18 0.00 -1.23 0.00 0.00 66.70 64.05 2k5g h VAL 145 Cb 0.54 2.13 -0.03 0.00 -2.13 0.00 0.00 31.29 31.80 2k5g h VAL 145 CO 0.02 0.31 0.45 0.00 -1.23 0.00 0.00 177.57 177.12 2k5g h ALA 146 N 1.68 2.56 -0.11 5.19 0.00 -0.52 -2.10 119.26 125.96 2k5g h ALA 146 Ca -0.00 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.31 2k5g h ALA 146 Cb 1.10 0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.97 2k5g h ALA 146 CO 0.04 -0.74 1.96 0.41 0.00 0.00 0.00 179.25 180.92 2k5g n GLY 147 N -1.65 2.10 0.00 0.00 0.00 -1.21 -3.86 105.19 100.57 2k5g n GLY 147 Ca 0.12 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2k5g n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 148 N 4.86 3.16 0.47 -0.02 0.00 -1.24 -4.99 105.19 107.43 2k5g n GLY 148 Ca 0.48 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.19 -0.74 1.61 -0.00 -1.48 -3.04 115.95 111.12 2k5g h TRP 149 Ca 0.00 -0.01 0.12 0.00 -0.00 0.00 0.00 58.89 59.00 2k5g h TRP 149 Cb 0.00 0.43 -0.09 0.00 -0.00 0.00 0.00 29.16 29.51 2k5g h TRP 149 CO 0.00 -0.66 0.32 1.12 -0.00 0.00 0.00 178.44 179.22 2k5g h HIS 150 N -1.06 0.56 0.00 2.65 2.07 -1.78 -1.04 115.15 116.55 2k5g h HIS 150 Ca -0.08 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.46 2k5g h HIS 150 Cb 0.87 -0.14 -0.00 0.00 2.57 0.00 0.00 27.41 30.71 2k5g h HIS 150 CO -0.13 0.12 -0.02 0.00 -3.07 0.00 0.00 177.93 174.84 2k5g h ALA 151 N 1.50 1.19 0.00 6.11 0.00 -1.86 -1.46 119.26 124.75 2k5g h ALA 151 Ca 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2k5g h ALA 151 Cb 0.53 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k5g h ALA 151 CO -0.35 0.02 -0.04 1.12 0.00 0.00 0.00 179.25 180.00 2k5g h HIS 152 N 0.00 0.00 0.00 0.00 2.07 -1.22 -0.38 115.15 115.62 2k5g h HIS 152 Ca -0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 2k5g h HIS 152 Cb 0.10 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.07 2k5g h HIS 152 CO 0.00 0.04 -0.27 -0.07 -3.07 0.00 0.00 177.93 174.56 2k5g h LEU 153 N 0.00 0.00 0.08 6.12 3.38 -1.43 -1.02 115.31 122.44 2k5g h LEU 153 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 2k5g h LEU 153 Cb 0.25 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.03 2k5g h LEU 153 CO 0.00 0.27 -1.11 0.00 0.09 0.00 0.00 178.44 177.69 2k5g h ALA 154 N 1.73 0.03 -0.81 1.53 0.00 -1.24 -3.13 119.26 117.37 2k5g h ALA 154 Ca -0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 2k5g h ALA 154 Cb 0.60 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2k5g h ALA 154 CO 0.03 0.64 0.50 0.28 0.00 0.00 0.00 179.25 180.71 2k5g h VAL 155 N 0.25 1.22 -0.03 0.00 2.07 -1.36 -0.98 116.25 117.43 2k5g h VAL 155 Ca -0.16 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 66.91 2k5g h VAL 155 Cb 1.79 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2k5g h VAL 155 CO 0.22 0.23 -0.42 -0.07 0.02 0.00 0.00 177.57 177.55 2k5g h LEU 156 N 1.11 -1.30 -0.62 2.57 3.38 -1.21 -1.45 115.31 117.78 2k5g h LEU 156 Ca 0.29 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.34 2k5g h LEU 156 Cb -0.07 0.50 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2k5g h LEU 156 CO -0.06 -0.39 0.10 0.00 0.09 0.00 0.00 178.44 178.18 2k5g h ALA 157 N -0.64 0.83 0.29 1.53 0.00 -1.47 -0.68 119.26 119.12 2k5g h ALA 157 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2k5g h ALA 157 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k5g h ALA 157 CO -0.30 0.59 -0.21 0.78 0.00 0.00 0.00 179.25 180.12 2k5g h GLY 158 N 0.95 -0.52 1.29 0.00 0.00 -0.98 -0.63 103.07 103.18 2k5g h GLY 158 Ca 0.19 0.24 -0.29 0.00 0.00 0.00 0.00 47.33 47.46 2k5g h GLY 158 CO 0.01 -0.21 -1.23 0.50 0.00 0.00 0.00 176.54 175.62 2k5g h LYS 159 N -0.50 0.58 -0.25 4.80 1.57 -1.25 -0.08 116.57 121.43 2k5g h LYS 159 Ca -0.02 -0.78 -0.05 0.00 -1.87 0.00 0.00 60.65 57.93 2k5g h LYS 159 Cb 0.43 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2k5g h LYS 159 CO 0.00 1.35 -0.06 -0.07 -0.57 0.00 0.00 179.45 180.10 2k5g h LEU 160 N 0.26 0.36 0.00 2.94 3.38 -1.12 -0.32 115.31 120.82 2k5g h LEU 160 Ca -0.18 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2k5g h LEU 160 Cb 1.90 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.55 2k5g h LEU 160 CO 0.23 0.47 0.00 0.00 0.09 0.00 0.00 178.44 179.23 2k5g n ALA 161 N -2.48 2.43 -1.57 1.53 0.00 -0.25 -4.69 120.51 115.47 2k5g n ALA 161 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2k5g n ALA 161 Cb 0.26 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 0.90 0.45 1.49 0.00 0.00 -0.13 -5.06 105.19 102.84 2k5g n GLY 162 Ca 0.16 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.66 1.07 -2.89 1.61 6.02 -0.05 -5.03 117.38 116.46 2k5g n GLN 163 Ca 0.00 -1.30 -0.31 0.00 -0.01 0.00 0.00 57.00 55.38 2k5g n GLN 163 Cb 0.31 0.07 -0.05 0.00 1.02 0.00 0.00 30.24 31.60 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 -2.30 3.28 0.65 -1.58 0.00 -1.26 -4.32 121.76 116.23 2k5g s ALA 164 Ca 0.16 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 2k5g s ALA 164 Cb -0.01 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 2k5g s ALA 164 CO 0.10 0.09 1.19 -1.25 0.00 0.00 0.00 175.76 175.89 2k5g s PRO 165 N -3.53 2.68 0.86 0.00 0.04 -1.26 -4.63 135.00 129.17 2k5g s PRO 165 Ca 0.54 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 63.18 2k5g s PRO 165 Cb -0.10 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.64 2k5g s PRO 165 CO 0.25 -1.41 1.11 -2.14 0.04 0.00 0.00 177.00 174.86 2k5g s PRO 166 N -3.65 1.53 0.48 0.56 0.02 -1.26 -4.95 135.00 127.72 2k5g s PRO 166 Ca 0.74 0.50 0.15 0.00 0.02 0.00 0.00 61.00 62.41 2k5g s PRO 166 Cb -0.28 -1.87 1.14 0.00 0.02 0.00 0.00 34.50 33.52 2k5g s PRO 166 CO 0.38 -1.98 2.08 -1.00 -0.33 0.00 0.00 177.00 176.15 2k5g h PRO 167 N -1.35 0.21 0.00 5.54 0.13 -2.00 -3.46 132.00 131.08 2k5g h PRO 167 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k5g h PRO 167 Cb 1.30 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k5g h PRO 167 CO 0.60 0.14 0.00 0.34 -0.23 0.00 0.00 178.00 178.85 2k5g n PHE 168 N -4.49 0.00 -0.12 1.56 -0.00 -1.26 -4.39 117.46 108.77 2k5g n PHE 168 Ca 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.41 2k5g n PHE 168 Cb 0.20 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.70 2k5g n PHE 168 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.76 179.11 2k5g h TRP 169 N 0.00 0.35 0.03 -5.13 7.01 -1.98 0.45 115.95 116.69 2k5g h TRP 169 Ca 0.00 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.03 2k5g h TRP 169 Cb 0.00 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 2k5g h TRP 169 CO 0.00 0.18 -0.10 1.15 -2.79 0.00 0.00 178.44 176.88 2k5g h THR 170 N 0.39 0.75 -0.89 2.65 2.02 -1.99 -0.95 112.91 114.89 2k5g h THR 170 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 2k5g h THR 170 Cb 0.07 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 2k5g h THR 170 CO -0.11 0.00 0.54 0.74 0.37 0.00 0.00 175.52 177.05 2k5g h THR 171 N -0.19 1.24 0.37 3.16 2.02 -1.77 -0.99 112.91 116.76 2k5g h THR 171 Ca 0.03 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 2k5g h THR 171 Cb 0.22 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2k5g h THR 171 CO -0.08 0.26 -0.30 0.25 0.37 0.00 0.00 175.52 176.02 2k5g h LEU 172 N 1.23 -0.80 -0.28 2.58 5.85 0.40 -1.40 115.31 122.89 2k5g h LEU 172 Ca 0.32 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 2k5g h LEU 172 Cb -0.05 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2k5g h LEU 172 CO -0.06 -0.42 0.08 0.00 -0.34 0.00 0.00 178.44 177.70 2k5g h ALA 173 N -1.34 0.36 -0.29 1.25 0.00 -1.12 -0.68 119.26 117.44 2k5g h ALA 173 Ca -0.05 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2k5g h ALA 173 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2k5g h ALA 173 CO 0.00 -0.00 0.15 0.37 0.00 0.00 0.00 179.25 179.77 2k5g h GLN 174 N 0.28 0.30 -0.22 0.00 4.15 -1.22 0.26 115.11 118.66 2k5g h GLN 174 Ca 0.09 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.34 2k5g h GLN 174 Cb 0.25 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2k5g h GLN 174 CO -0.00 0.20 -0.49 0.00 -1.93 0.00 0.00 178.83 176.61 2k5g h ALA 175 N 1.15 0.73 -0.52 3.38 0.00 -1.16 0.76 119.26 123.60 2k5g h ALA 175 Ca 0.12 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2k5g h ALA 175 Cb 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2k5g h ALA 175 CO -0.08 0.67 0.32 0.93 0.00 0.00 0.00 179.25 181.09 2k5g h GLU 176 N 0.48 0.70 -0.33 0.00 5.08 -0.69 -0.31 114.58 119.50 2k5g h GLU 176 Ca 0.02 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2k5g h GLU 176 Cb 1.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2k5g h GLU 176 CO 0.09 0.50 -0.07 1.96 -1.00 0.00 0.00 179.01 180.49 2k5g h GLN 177 N 0.70 0.55 -0.56 2.33 1.08 -0.28 0.81 115.11 119.74 2k5g h GLN 177 Ca 0.19 -0.15 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 2k5g h GLN 177 Cb -0.03 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 2k5g h GLN 177 CO -0.04 0.63 0.06 0.22 -0.95 0.00 0.00 178.83 178.75 2k5g h ASP 178 N 0.52 0.91 0.15 1.46 3.58 -0.09 -1.19 116.42 121.76 2k5g h ASP 178 Ca 0.10 -0.28 -0.26 0.00 0.42 0.00 0.00 57.03 57.01 2k5g h ASP 178 Cb 0.44 -0.24 0.02 0.00 1.72 0.00 0.00 39.33 41.27 2k5g h ASP 178 CO 0.02 0.96 -1.07 1.88 -2.88 0.00 0.00 179.24 178.16 2k5g h TYR 179 N 0.83 0.89 0.00 0.28 0.05 -0.89 -3.14 116.97 115.00 2k5g h TYR 179 Ca 0.17 -0.51 0.00 0.00 0.05 0.00 0.00 58.73 58.44 2k5g h TYR 179 Cb 0.46 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.10 2k5g h TYR 179 CO 0.03 1.34 0.00 0.93 -1.05 0.00 0.00 178.16 179.42 2k5g h GLU 180 N 0.31 0.00 0.00 4.88 4.39 -0.73 -1.97 114.58 121.46 2k5g h GLU 180 Ca -0.13 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 2k5g h GLU 180 Cb 1.72 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.36 2k5g h GLU 180 CO 0.20 0.00 -0.22 0.37 -1.16 0.00 0.00 179.01 178.20 2k5g h GLN 181 N 0.00 0.00 -0.02 2.33 5.75 -1.16 -3.05 115.11 118.96 2k5g h GLN 181 Ca 0.00 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 2k5g h GLN 181 Cb 0.25 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.81 2k5g h GLN 181 CO 0.00 0.22 -0.47 0.00 -2.65 0.00 0.00 178.83 175.93 2k5g h ARG 182 N 0.00 0.35 -2.43 1.69 2.47 -1.52 -3.45 114.38 111.49 2k5g h ARG 182 Ca -0.00 -0.35 -0.08 0.00 -1.26 0.00 0.00 59.98 58.28 2k5g h ARG 182 Cb 0.40 0.09 -0.27 0.00 -1.65 0.00 0.00 29.97 28.54 2k5g h ARG 182 CO 0.03 1.03 -0.36 -1.17 0.56 0.00 0.00 179.97 180.06 2k5g s LEU 183 N -8.45 -0.69 -0.26 3.04 1.98 -1.15 -5.13 118.68 108.02 2k5g s LEU 183 Ca -0.14 1.00 -0.15 0.00 -2.89 0.00 0.00 54.13 51.95 2k5g s LEU 183 Cb 0.03 1.42 -0.04 0.00 0.66 0.00 0.00 46.19 48.26 2k5g s LEU 183 CO 0.80 -0.23 0.38 -0.76 -1.89 0.00 0.00 176.35 174.64 2k5g s LEU 184 N 2.64 4.05 0.01 -0.68 1.02 -1.23 -4.64 118.68 119.84 2k5g s LEU 184 Ca -0.01 0.32 0.04 0.00 0.02 0.00 0.00 54.13 54.50 2k5g s LEU 184 Cb -0.12 -2.44 -0.03 0.00 0.02 0.00 0.00 46.19 43.61 2k5g s LEU 184 CO -0.13 -0.18 -0.07 -0.70 0.02 0.00 0.00 176.35 175.28 2k5g s GLU 185 N 2.02 2.50 -0.08 1.70 -6.30 -1.26 -5.00 118.70 112.28 2k5g s GLU 185 Ca 0.16 -0.76 0.14 0.00 -2.50 0.00 0.00 54.97 52.00 2k5g s GLU 185 Cb -0.16 -2.47 0.42 0.00 0.00 0.00 0.00 34.13 31.92 2k5g s GLU 185 CO 0.10 0.59 1.34 1.58 0.02 0.00 0.00 175.26 178.89 2k5g n HIS 186 N 1.49 0.72 -2.44 5.30 -0.00 -1.26 -5.00 115.22 114.03 2k5g n HIS 186 Ca -0.15 -0.67 -0.42 0.00 -0.00 0.00 0.00 57.72 56.48 2k5g n HIS 186 Cb 0.52 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.99 30.32 2k5g n HIS 186 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5g s HIS 187 N -1.84 3.42 -0.18 1.57 5.04 -1.26 -5.02 115.29 117.03 2k5g s HIS 187 Ca 0.32 1.31 -0.03 0.00 -1.54 0.00 0.00 55.06 55.12 2k5g s HIS 187 Cb 0.23 -3.41 0.06 0.00 0.04 0.00 0.00 32.58 29.49 2k5g s HIS 187 CO 0.13 -1.23 0.05 -1.01 -2.34 0.00 0.00 174.74 170.33 2k5g s HIS 188 N 1.16 0.75 -0.23 3.88 3.76 -1.26 -5.10 115.29 118.25 2k5g s HIS 188 Ca 0.58 -0.63 -0.03 0.00 -0.15 0.00 0.00 55.06 54.83 2k5g s HIS 188 Cb -0.29 -0.91 0.12 0.00 1.11 0.00 0.00 32.58 32.62 2k5g s HIS 188 CO 0.29 -0.55 0.34 -1.58 -0.85 0.00 0.00 174.74 172.39 2k5g s HIS 189 N 1.95 -0.69 0.27 1.40 5.04 -1.26 -5.14 115.29 116.86 2k5g s HIS 189 Ca 0.00 0.77 -0.20 0.00 -1.54 0.00 0.00 55.06 54.10 2k5g s HIS 189 Cb -0.16 -0.04 0.05 0.00 0.04 0.00 0.00 32.58 32.47 2k5g s HIS 189 CO -0.08 -0.66 0.85 -3.38 -2.34 0.00 0.00 174.74 169.13 2k5g s HIS 190 N 2.50 -0.03 -1.74 3.88 -3.43 -1.26 -4.96 115.29 110.25 2k5g s HIS 190 Ca 0.10 -0.46 0.14 0.00 -0.80 0.00 0.00 55.06 54.03 2k5g s HIS 190 Cb -0.15 0.74 0.11 0.00 -1.43 0.00 0.00 32.58 31.85 2k5g s HIS 190 CO -0.14 -1.22 0.94 0.72 -2.00 0.00 0.00 174.74 173.04