#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbs s GLU 10 N 0.00 3.03 -0.27 1.64 8.01 -1.26 -4.65 118.70 125.19 2kbs s GLU 10 Ca 0.00 -0.49 -0.10 0.00 0.01 0.00 0.00 54.97 54.38 2kbs s GLU 10 Cb 0.00 -2.83 -0.05 0.00 -4.31 0.00 0.00 34.13 26.94 2kbs s GLU 10 CO 0.00 0.65 0.16 0.21 0.01 0.00 0.00 175.26 176.29 2kbs s LYS 11 N -1.66 3.89 0.19 1.61 2.20 0.42 -4.97 119.74 121.43 2kbs s LYS 11 Ca 0.22 -0.35 -0.20 0.00 -0.36 0.00 0.00 55.97 55.28 2kbs s LYS 11 Cb -0.12 -3.58 -0.08 0.00 -1.51 0.00 0.00 37.83 32.54 2kbs s LYS 11 CO 0.13 -0.17 0.70 0.21 -0.36 0.00 0.00 175.35 175.86 2kbs s LYS 12 N 1.68 4.27 0.01 4.03 2.47 -1.26 -0.08 119.74 130.85 2kbs s LYS 12 Ca 0.07 0.86 -0.17 0.00 -1.56 0.00 0.00 55.97 55.17 2kbs s LYS 12 Cb -0.16 -2.97 0.03 0.00 -1.46 0.00 0.00 37.83 33.27 2kbs s LYS 12 CO 0.09 0.45 0.36 0.08 0.16 0.00 0.00 175.35 176.50 2kbs s VAL 13 N -1.42 0.06 -0.04 4.02 1.01 -0.34 -4.89 120.40 118.79 2kbs s VAL 13 Ca 0.40 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2kbs s VAL 13 Cb -0.18 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.44 2kbs s VAL 13 CO 0.21 -0.26 -0.06 0.72 0.00 0.00 0.00 175.10 175.72 2kbs s PHE 14 N -1.79 0.84 -0.06 5.22 -0.71 -1.26 -0.80 117.98 119.42 2kbs s PHE 14 Ca -0.10 -0.24 0.06 0.00 -1.04 0.00 0.00 56.93 55.61 2kbs s PHE 14 Cb -0.03 -0.69 -0.01 0.00 -1.21 0.00 0.00 43.02 41.08 2kbs s PHE 14 CO 0.02 -0.18 -0.25 0.42 -1.34 0.00 0.00 175.22 173.89 2kbs s ILE 15 N 0.73 2.04 -0.04 -4.49 -1.09 -0.94 -4.89 121.20 112.52 2kbs s ILE 15 Ca -0.11 -1.06 -0.01 0.00 -2.23 0.00 0.00 60.65 57.24 2kbs s ILE 15 Cb -0.13 -1.73 0.03 0.00 -1.58 0.00 0.00 42.46 39.05 2kbs s ILE 15 CO 0.01 0.57 0.08 -0.55 -1.23 0.00 0.00 174.94 173.82 2kbs s SER 16 N -0.13 0.13 -0.57 3.58 0.15 -1.24 -1.49 113.70 114.14 2kbs s SER 16 Ca -0.05 0.16 -0.28 0.00 0.70 0.00 0.00 55.95 56.48 2kbs s SER 16 Cb -0.14 0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 2kbs s SER 16 CO 0.04 -0.15 1.49 -0.22 1.20 0.00 0.00 173.24 175.59 2kbs s LEU 17 N 1.28 3.38 -1.37 3.45 0.20 -0.83 -4.90 118.68 119.87 2kbs s LEU 17 Ca -0.07 0.30 -0.06 0.00 0.69 0.00 0.00 54.13 54.98 2kbs s LEU 17 Cb -0.12 -2.97 0.09 0.00 -0.43 0.00 0.00 46.19 42.75 2kbs s LEU 17 CO -0.04 -1.81 2.46 0.55 -0.29 0.00 0.00 176.35 177.22 2kbs n VAL 18 N 6.90 5.05 0.00 1.68 3.14 -1.26 -4.79 118.33 129.05 2kbs n VAL 18 Ca 0.13 -4.03 0.00 0.00 -2.96 0.00 0.00 64.34 57.48 2kbs n VAL 18 Cb 0.49 -2.18 0.00 0.00 -1.06 0.00 0.00 33.84 31.09 2kbs n VAL 18 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kbs n GLY 19 N 2.09 1.85 3.54 7.55 0.00 -1.26 -4.88 105.19 114.08 2kbs n GLY 19 Ca 0.64 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 2kbs n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kbs s SER 20 N 0.00 4.23 0.33 1.61 1.04 -1.26 -4.99 113.70 114.65 2kbs s SER 20 Ca 0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2kbs s SER 20 Cb 0.00 -0.81 0.00 0.00 0.10 0.00 0.00 66.02 65.31 2kbs s SER 20 CO 0.00 0.23 0.00 0.54 0.98 0.00 0.00 173.24 174.99 2kbs n ARG 21 N 1.20 -4.90 -0.08 4.02 1.74 -1.26 -4.94 116.66 112.44 2kbs n ARG 21 Ca -0.15 3.53 -0.16 0.00 -0.77 0.00 0.00 57.85 60.30 2kbs n ARG 21 Cb 0.52 -3.86 -0.12 0.00 -1.02 0.00 0.00 32.46 27.98 2kbs n ARG 21 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2kbs h GLY 22 N 3.03 0.00 0.00 -0.13 0.00 -1.94 -3.37 103.07 100.66 2kbs h GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kbs h GLY 22 CO 0.00 0.00 -0.08 -0.10 0.00 0.00 0.00 176.54 176.36 2kbs n LEU 23 N -4.56 0.04 0.00 3.11 7.94 -1.26 -4.14 117.00 118.14 2kbs n LEU 23 Ca -0.16 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2kbs n LEU 23 Cb 0.53 0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.65 2kbs n LEU 23 CO 0.29 -0.64 0.00 0.61 -1.11 0.00 0.00 177.39 176.53 2kbs n GLY 24 N 1.86 1.23 3.25 -3.96 0.00 -1.26 -0.25 105.19 106.06 2kbs n GLY 24 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2kbs n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbs s SER 26 N -3.06 4.37 0.04 0.00 0.01 -1.10 -4.99 113.70 108.97 2kbs s SER 26 Ca 0.26 -1.09 -0.04 0.00 1.31 0.00 0.00 55.95 56.39 2kbs s SER 26 Cb 0.06 -0.49 -0.02 0.00 0.21 0.00 0.00 66.02 65.78 2kbs s SER 26 CO 0.05 -0.51 0.06 0.27 0.41 0.00 0.00 173.24 173.52 2kbs s ILE 27 N -2.60 0.15 0.12 1.44 -4.36 -1.26 -0.10 121.20 114.59 2kbs s ILE 27 Ca 0.40 -1.25 -0.08 0.00 -0.26 0.00 0.00 60.65 59.46 2kbs s ILE 27 Cb 0.04 -1.00 -0.01 0.00 1.25 0.00 0.00 42.46 42.74 2kbs s ILE 27 CO 0.22 -0.69 0.21 -0.44 0.24 0.00 0.00 174.94 174.48 2kbs s SER 28 N -2.29 0.11 0.09 4.36 0.01 -0.89 -4.84 113.70 110.27 2kbs s SER 28 Ca -0.03 -0.77 0.03 0.00 1.31 0.00 0.00 55.95 56.50 2kbs s SER 28 Cb 0.00 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 2kbs s SER 28 CO -0.06 -0.78 0.11 -0.55 0.41 0.00 0.00 173.24 172.36 2kbs s SER 29 N -2.91 5.63 0.59 2.44 0.15 -1.26 -0.14 113.70 118.20 2kbs s SER 29 Ca 0.10 0.00 -0.01 0.00 0.70 0.00 0.00 55.95 56.74 2kbs s SER 29 Cb 0.05 -1.53 0.05 0.00 -1.71 0.00 0.00 66.02 62.87 2kbs s SER 29 CO -0.07 0.15 0.32 0.61 1.20 0.00 0.00 173.24 175.46 2kbs n GLY 30 N 0.28 0.33 0.00 9.45 0.00 -0.68 -4.89 105.19 109.69 2kbs n GLY 30 Ca -0.08 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2kbs n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kbs n PRO 31 N -1.62 0.23 0.08 1.61 -0.04 -1.26 -4.60 135.00 129.41 2kbs n PRO 31 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2kbs n PRO 31 Cb 0.18 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.59 2kbs n PRO 31 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2kbs h ILE 32 N -0.82 0.74 0.00 0.52 5.03 -1.99 -1.95 117.51 119.03 2kbs h ILE 32 Ca 0.00 -2.20 -0.07 0.00 -0.12 0.00 0.00 64.86 62.48 2kbs h ILE 32 Cb 0.00 2.25 -0.01 0.00 -3.03 0.00 0.00 36.82 36.03 2kbs h ILE 32 CO 0.00 0.42 -0.33 1.56 -0.68 0.00 0.00 178.15 179.12 2kbs h GLN 33 N 0.00 0.00 -0.36 2.37 4.20 -2.06 -3.36 115.11 115.90 2kbs h GLN 33 Ca -0.09 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.34 2kbs h GLN 33 Cb 1.52 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 29.11 2kbs h GLN 33 CO 0.06 0.33 -0.59 1.17 -0.67 0.00 0.00 178.83 179.12 2kbs n LYS 34 N -4.13 0.86 -1.64 1.46 4.81 -1.25 -5.12 118.16 113.16 2kbs n LYS 34 Ca -0.02 -2.07 -0.43 0.00 -0.87 0.00 0.00 58.31 54.92 2kbs n LYS 34 Cb 0.37 -1.32 -0.03 0.00 0.02 0.00 0.00 35.03 34.07 2kbs n LYS 34 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2kbs n PRO 35 N 1.11 2.55 -3.67 1.64 -0.02 -0.73 -4.35 135.00 131.53 2kbs n PRO 35 Ca 0.10 0.87 -0.14 0.00 -2.02 0.00 0.00 63.50 62.31 2kbs n PRO 35 Cb 0.64 -3.08 -0.08 0.00 -0.02 0.00 0.00 33.50 30.96 2kbs n PRO 35 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2kbs s GLY 36 N 5.79 -0.42 -0.56 -1.23 0.00 -1.26 -4.63 107.32 105.00 2kbs s GLY 36 Ca 0.93 1.49 -0.27 0.00 0.00 0.00 0.00 44.72 46.87 2kbs s GLY 36 CO 0.40 1.25 1.08 -0.42 0.00 0.00 0.00 173.10 175.41 2kbs s ILE 37 N 0.03 4.20 0.38 0.90 -1.09 -1.26 -1.68 121.20 122.67 2kbs s ILE 37 Ca -0.02 0.67 0.06 0.00 -2.23 0.00 0.00 60.65 59.13 2kbs s ILE 37 Cb -0.04 -4.63 0.06 0.00 -1.58 0.00 0.00 42.46 36.27 2kbs s ILE 37 CO 0.02 -1.21 0.51 2.22 -1.23 0.00 0.00 174.94 175.26 2kbs n PHE 38 N 7.96 -2.44 -4.37 3.97 -1.74 0.81 -1.77 117.46 119.88 2kbs n PHE 38 Ca 0.06 -1.40 -0.35 0.00 -0.56 0.00 0.00 57.45 55.21 2kbs n PHE 38 Cb 0.48 -0.36 -0.09 0.00 1.52 0.00 0.00 39.48 41.03 2kbs n PHE 38 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 2kbs s ILE 39 N -1.38 4.29 0.00 1.97 -1.09 -0.34 -2.08 121.20 122.56 2kbs s ILE 39 Ca 0.39 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 2kbs s ILE 39 Cb -0.03 -2.81 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 2kbs s ILE 39 CO 0.25 0.58 0.00 -1.20 -1.23 0.00 0.00 174.94 173.34 2kbs n SER 40 N 2.06 0.51 -4.48 3.58 7.64 0.86 -2.80 113.62 120.98 2kbs n SER 40 Ca -0.18 -0.92 -0.43 0.00 1.01 0.00 0.00 58.87 58.35 2kbs n SER 40 Cb 0.53 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2kbs n SER 40 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2kbs n HIS 41 N -0.68 -0.07 -4.17 1.43 -0.00 -1.26 -3.92 115.22 106.55 2kbs n HIS 41 Ca 0.00 0.68 -0.29 0.00 -0.00 0.00 0.00 57.72 58.10 2kbs n HIS 41 Cb 0.00 -2.05 -0.08 0.00 -0.00 0.00 0.00 29.99 27.86 2kbs n HIS 41 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2kbs s VAL 42 N -1.31 3.78 -0.38 3.57 1.01 -1.26 -2.72 120.40 123.09 2kbs s VAL 42 Ca 0.62 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 2kbs s VAL 42 Cb -0.67 -2.81 0.04 0.00 0.00 0.00 0.00 36.38 32.94 2kbs s VAL 42 CO 0.58 0.07 0.19 -0.54 0.00 0.00 0.00 175.10 175.41 2kbs s LYS 43 N -2.40 2.71 0.44 2.72 1.02 0.29 -4.99 119.74 119.54 2kbs s LYS 43 Ca 0.25 -1.20 -0.23 0.00 0.02 0.00 0.00 55.97 54.81 2kbs s LYS 43 Cb -0.11 -3.67 -0.11 0.00 -0.52 0.00 0.00 37.83 33.42 2kbs s LYS 43 CO 0.17 -0.75 0.77 -2.30 -0.92 0.00 0.00 175.35 172.32 2kbs n PRO 44 N 4.93 0.91 -2.15 -1.68 -0.02 -1.26 -3.56 135.00 132.17 2kbs n PRO 44 Ca -0.12 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2kbs n PRO 44 Cb 0.45 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2kbs n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kbs n GLY 45 N 1.49 0.95 1.20 -1.23 0.00 -1.26 -5.06 105.19 101.29 2kbs n GLY 45 Ca 0.11 -0.58 -0.06 0.00 0.00 0.00 0.00 46.02 45.48 2kbs n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kbs n SER 46 N 1.25 -0.38 -0.03 1.61 7.64 -1.23 -5.05 113.62 117.43 2kbs n SER 46 Ca 0.00 -1.74 -0.13 0.00 1.01 0.00 0.00 58.87 58.01 2kbs n SER 46 Cb 0.43 0.77 -0.08 0.00 -1.01 0.00 0.00 64.21 64.33 2kbs n SER 46 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kbs h LEU 47 N 0.00 0.16 -0.61 -3.43 -0.00 -0.93 -1.99 115.31 108.51 2kbs h LEU 47 Ca -0.09 -0.39 0.10 0.00 -0.00 0.00 0.00 57.88 57.50 2kbs h LEU 47 Cb 0.43 -0.04 -0.08 0.00 -0.00 0.00 0.00 40.66 40.97 2kbs h LEU 47 CO 0.13 0.51 0.20 0.77 -0.00 0.00 0.00 178.44 180.05 2kbs h SER 48 N -0.20 0.16 -0.77 -0.43 4.64 -1.05 0.10 113.55 115.99 2kbs h SER 48 Ca 0.02 0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 2kbs h SER 48 Cb 0.45 0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 2kbs h SER 48 CO 0.01 0.09 0.29 0.00 -0.87 0.00 0.00 176.83 176.36 2kbs h ALA 49 N 1.44 1.00 0.28 5.18 0.00 -1.79 0.18 119.26 125.55 2kbs h ALA 49 Ca 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2kbs h ALA 49 Cb 0.42 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kbs h ALA 49 CO -0.34 0.63 -0.16 0.93 0.00 0.00 0.00 179.25 180.32 2kbs h GLU 50 N 1.12 -0.40 0.00 0.00 5.08 -0.35 -2.56 114.58 117.47 2kbs h GLU 50 Ca 0.25 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 2kbs h GLU 50 Cb 0.23 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2kbs h GLU 50 CO -0.02 -0.26 -0.33 -0.39 -1.00 0.00 0.00 179.01 177.01 2kbs h VAL 51 N -0.41 1.10 -0.07 3.13 -1.51 -0.92 -3.47 116.25 114.09 2kbs h VAL 51 Ca -0.03 -1.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 2kbs h VAL 51 Cb 0.34 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2kbs h VAL 51 CO 0.04 0.32 0.00 0.61 -1.23 0.00 0.00 177.57 177.31 2kbs n GLY 52 N -0.43 0.85 3.79 5.19 0.00 0.40 -5.06 105.19 109.93 2kbs n GLY 52 Ca -0.02 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 2kbs n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kbs s LEU 53 N -0.06 3.76 0.04 0.99 1.43 0.15 -5.00 118.68 119.99 2kbs s LEU 53 Ca 0.00 -0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 2kbs s LEU 53 Cb 0.00 -2.35 0.09 0.00 0.03 0.00 0.00 46.19 43.96 2kbs s LEU 53 CO 0.00 0.04 0.90 -1.61 0.23 0.00 0.00 176.35 175.91 2kbs s GLU 54 N -3.32 0.92 0.53 1.70 2.02 -1.26 -4.78 118.70 114.51 2kbs s GLU 54 Ca 0.31 -0.39 -0.21 0.00 0.02 0.00 0.00 54.97 54.70 2kbs s GLU 54 Cb -0.09 0.39 -0.06 0.00 0.10 0.00 0.00 34.13 34.46 2kbs s GLU 54 CO 0.23 -0.41 1.13 -0.89 0.02 0.00 0.00 175.26 175.34 2kbs n ILE 55 N -0.31 3.39 0.00 -1.63 5.41 -1.25 -2.84 119.36 122.12 2kbs n ILE 55 Ca -0.08 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.17 2kbs n ILE 55 Cb 0.62 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 2kbs n ILE 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kbs n GLY 56 N 1.05 2.70 3.53 7.39 0.00 -1.12 -4.93 105.19 113.81 2kbs n GLY 56 Ca 0.11 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2kbs n GLY 56 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kbs n ASP 57 N 0.20 -1.01 -3.52 1.61 8.00 -1.13 0.72 116.55 121.42 2kbs n ASP 57 Ca 0.00 0.10 -0.14 0.00 0.71 0.00 0.00 54.79 55.46 2kbs n ASP 57 Cb 0.00 -1.32 -0.12 0.00 -0.02 0.00 0.00 41.12 39.66 2kbs n ASP 57 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2kbs s GLN 58 N -4.37 0.22 -0.16 -1.24 0.74 -1.19 -1.20 119.66 112.46 2kbs s GLN 58 Ca 0.66 0.50 -0.29 0.00 0.05 0.00 0.00 55.36 56.28 2kbs s GLN 58 Cb -0.23 -0.58 -0.03 0.00 1.10 0.00 0.00 33.01 33.26 2kbs s GLN 58 CO 0.63 -0.52 1.59 0.42 -0.55 0.00 0.00 175.29 176.86 2kbs s ILE 59 N 2.42 3.72 -1.59 -2.34 1.01 -0.73 -1.14 121.20 122.55 2kbs s ILE 59 Ca 0.06 0.84 0.17 0.00 0.00 0.00 0.00 60.65 61.72 2kbs s ILE 59 Cb -0.14 -3.65 0.40 0.00 0.01 0.00 0.00 42.46 39.08 2kbs s ILE 59 CO -0.12 -0.20 1.32 1.33 0.00 0.00 0.00 174.94 177.27 2kbs n VAL 60 N 6.00 0.78 -3.64 2.92 0.24 0.20 -4.62 118.33 120.22 2kbs n VAL 60 Ca 0.18 -0.89 -0.04 0.00 -2.04 0.00 0.00 64.34 61.55 2kbs n VAL 60 Cb 0.44 0.68 -0.05 0.00 -1.47 0.00 0.00 33.84 33.44 2kbs n VAL 60 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2kbs s GLU 61 N -1.09 0.16 -0.30 7.34 2.56 -0.90 -3.60 118.70 122.87 2kbs s GLU 61 Ca 0.33 0.10 0.00 0.00 0.00 0.00 0.00 54.97 55.40 2kbs s GLU 61 Cb 0.18 0.08 0.14 0.00 2.00 0.00 0.00 34.13 36.53 2kbs s GLU 61 CO 0.24 -0.04 0.33 0.08 -0.56 0.00 0.00 175.26 175.31 2kbs s VAL 62 N -0.56 -0.45 -1.46 3.70 1.01 -0.55 0.22 120.40 122.31 2kbs s VAL 62 Ca 0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 2kbs s VAL 62 Cb -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2kbs s VAL 62 CO -0.09 -0.43 0.08 -3.20 0.00 0.00 0.00 175.10 171.45 2kbs n ASN 63 N 5.24 -5.15 0.00 3.32 2.85 0.21 -1.95 115.26 119.79 2kbs n ASN 63 Ca -0.00 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 2kbs n ASN 63 Cb 0.47 -4.19 0.00 0.00 1.24 0.00 0.00 39.78 37.30 2kbs n ASN 63 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kbs n GLY 64 N -1.08 3.04 3.71 8.20 0.00 -1.26 -5.01 105.19 112.79 2kbs n GLY 64 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2kbs n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kbs s VAL 65 N -2.89 2.77 -0.11 1.61 1.01 -0.82 -4.95 120.40 117.03 2kbs s VAL 65 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 2kbs s VAL 65 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2kbs s VAL 65 CO 0.00 0.04 1.31 -0.62 0.00 0.00 0.00 175.10 175.83 2kbs s ASP 66 N 1.26 6.93 -0.36 3.32 -1.08 -1.26 -1.48 116.67 123.99 2kbs s ASP 66 Ca 0.70 1.84 0.07 0.00 -0.52 0.00 0.00 52.55 54.63 2kbs s ASP 66 Cb -0.42 -2.55 0.69 0.00 -1.46 0.00 0.00 42.92 39.19 2kbs s ASP 66 CO 0.31 -0.73 1.82 0.49 0.52 0.00 0.00 175.17 177.58 2kbs n PHE 67 N 6.17 2.65 0.02 -5.34 3.01 -1.24 -4.39 117.46 118.35 2kbs n PHE 67 Ca 0.13 -1.43 -0.01 0.00 1.01 0.00 0.00 57.45 57.15 2kbs n PHE 67 Cb 0.45 -0.78 -0.01 0.00 -0.01 0.00 0.00 39.48 39.13 2kbs n PHE 67 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2kbs h SER 68 N 1.93 -0.07 -0.83 4.37 0.87 -1.84 -3.38 113.55 114.59 2kbs h SER 68 Ca 0.41 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.53 2kbs h SER 68 Cb 2.52 0.02 -0.26 0.00 -0.44 0.00 0.00 62.40 64.23 2kbs h SER 68 CO 0.87 0.08 0.47 -0.46 -0.53 0.00 0.00 176.83 177.25 2kbs n ASN 69 N -2.89 3.66 -4.79 6.23 0.23 -1.26 -4.48 115.26 111.96 2kbs n ASN 69 Ca -0.01 -3.67 -0.36 0.00 -0.53 0.00 0.00 54.58 50.01 2kbs n ASN 69 Cb 0.03 -0.79 -0.06 0.00 -2.08 0.00 0.00 39.78 36.88 2kbs n ASN 69 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2kbs s LEU 70 N -3.32 4.25 0.67 -4.53 2.96 -1.26 -5.05 118.68 112.39 2kbs s LEU 70 Ca 0.54 1.83 -0.11 0.00 -0.22 0.00 0.00 54.13 56.17 2kbs s LEU 70 Cb 0.46 -4.13 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 2kbs s LEU 70 CO 0.07 -0.16 1.07 -0.62 -1.32 0.00 0.00 176.35 175.39 2kbs s ASP 71 N -1.71 5.73 0.07 3.68 2.15 -1.26 -4.73 116.67 120.60 2kbs s ASP 71 Ca 0.53 1.23 -0.29 0.00 0.43 0.00 0.00 52.55 54.45 2kbs s ASP 71 Cb -0.17 -2.12 -0.17 0.00 -0.30 0.00 0.00 42.92 40.15 2kbs s ASP 71 CO 0.22 -1.17 1.64 -0.74 -0.17 0.00 0.00 175.17 174.95 2kbs h HIS 72 N -0.53 -0.51 -0.91 -5.34 6.17 -1.96 -1.84 115.15 110.22 2kbs h HIS 72 Ca -0.45 -0.01 0.09 0.00 0.71 0.00 0.00 60.37 60.72 2kbs h HIS 72 Cb 1.23 0.17 -0.07 0.00 2.52 0.00 0.00 27.41 31.26 2kbs h HIS 72 CO 0.56 -0.30 0.59 0.87 0.71 0.00 0.00 177.93 180.35 2kbs h LYS 73 N -0.58 0.91 -0.26 5.26 1.79 -1.99 -1.92 116.57 119.78 2kbs h LYS 73 Ca -0.06 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2kbs h LYS 73 Cb 0.44 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2kbs h LYS 73 CO 0.09 0.60 0.14 0.93 -1.08 0.00 0.00 179.45 180.14 2kbs h GLU 74 N 0.93 0.35 -0.57 3.15 5.08 -1.88 0.25 114.58 121.89 2kbs h GLU 74 Ca 0.42 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.77 2kbs h GLU 74 Cb 0.38 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2kbs h GLU 74 CO -0.18 0.30 0.34 0.00 -1.00 0.00 0.00 179.01 178.47 2kbs h ALA 75 N 1.03 0.74 -0.18 3.43 0.00 -0.59 -1.15 119.26 122.54 2kbs h ALA 75 Ca 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2kbs h ALA 75 Cb 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2kbs h ALA 75 CO -0.02 0.05 -0.17 0.28 0.00 0.00 0.00 179.25 179.40 2kbs h VAL 76 N 0.66 1.33 0.03 0.00 2.07 -1.20 -2.24 116.25 116.90 2kbs h VAL 76 Ca 0.23 -1.33 0.03 0.00 0.82 0.00 0.00 66.70 66.46 2kbs h VAL 76 Cb 0.05 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2kbs h VAL 76 CO -0.11 0.40 -0.22 -1.13 0.02 0.00 0.00 177.57 176.52 2kbs h ASN 77 N 0.08 -0.65 -0.65 0.57 -0.00 -0.28 0.69 115.58 115.33 2kbs h ASN 77 Ca 0.03 0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.42 2kbs h ASN 77 Cb 0.71 0.26 -0.03 0.00 -0.00 0.00 0.00 38.32 39.26 2kbs h ASN 77 CO 0.04 -0.30 0.42 -0.37 -0.00 0.00 0.00 177.43 177.23 2kbs h VAL 78 N -0.37 1.17 -0.06 2.57 -1.51 -1.28 0.66 116.25 117.44 2kbs h VAL 78 Ca 0.05 -0.33 -0.08 0.00 -1.23 0.00 0.00 66.70 65.11 2kbs h VAL 78 Cb 0.43 0.22 -0.01 0.00 -2.13 0.00 0.00 31.29 29.81 2kbs h VAL 78 CO -0.19 0.17 -0.35 -0.07 -1.23 0.00 0.00 177.57 175.91 2kbs h LEU 79 N 0.89 0.12 0.00 4.19 -0.00 -0.94 -2.18 115.31 117.40 2kbs h LEU 79 Ca 0.24 -0.04 -0.23 0.00 -0.00 0.00 0.00 57.88 57.85 2kbs h LEU 79 Cb -0.08 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 40.51 2kbs h LEU 79 CO -0.05 0.47 -1.18 0.11 -0.00 0.00 0.00 178.44 177.79 2kbs h LYS 80 N 0.11 0.00 0.19 1.13 6.56 0.11 -3.39 116.57 121.29 2kbs h LYS 80 Ca 0.01 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 2kbs h LYS 80 Cb 0.67 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.33 2kbs h LYS 80 CO 0.05 0.88 -0.09 1.03 -2.06 0.00 0.00 179.45 179.25 2kbs h SER 81 N 0.00 -0.22 -3.21 0.86 0.87 0.57 -3.43 113.55 109.00 2kbs h SER 81 Ca -0.08 0.01 -0.58 0.00 -1.23 0.00 0.00 61.79 59.91 2kbs h SER 81 Cb 1.83 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 63.78 2kbs h SER 81 CO 0.12 -0.06 0.72 -0.44 -0.53 0.00 0.00 176.83 176.64 2kbs s SER 82 N -3.35 6.97 0.15 6.23 0.01 -0.84 -4.93 113.70 117.94 2kbs s SER 82 Ca -0.04 1.17 -0.11 0.00 1.31 0.00 0.00 55.95 58.28 2kbs s SER 82 Cb 0.00 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 2kbs s SER 82 CO 0.11 -0.70 1.51 0.03 0.41 0.00 0.00 173.24 174.61 2kbs h ARG 83 N 7.72 0.96 -4.58 12.44 3.08 -1.83 -3.40 114.38 128.77 2kbs h ARG 83 Ca -0.21 -0.44 -0.69 0.00 0.07 0.00 0.00 59.98 58.71 2kbs h ARG 83 Cb 1.07 -0.01 -0.35 0.00 0.08 0.00 0.00 29.97 30.76 2kbs h ARG 83 CO 0.97 1.11 -0.61 -1.54 -1.07 0.00 0.00 179.97 178.83 2kbs s SER 84 N -6.74 5.11 0.02 7.04 1.04 -1.26 -1.97 113.70 116.95 2kbs s SER 84 Ca -0.11 -1.84 0.01 0.00 0.48 0.00 0.00 55.95 54.49 2kbs s SER 84 Cb 0.12 -1.78 -0.01 0.00 0.10 0.00 0.00 66.02 64.44 2kbs s SER 84 CO 0.87 -0.45 -0.05 -1.48 0.98 0.00 0.00 173.24 173.11 2kbs s LEU 85 N 1.15 2.16 -0.31 2.42 0.05 -0.55 -5.00 118.68 118.59 2kbs s LEU 85 Ca 0.05 -0.35 -0.19 0.00 0.05 0.00 0.00 54.13 53.69 2kbs s LEU 85 Cb -0.22 -0.11 -0.01 0.00 -2.05 0.00 0.00 46.19 43.81 2kbs s LEU 85 CO -0.04 -0.13 0.58 -0.89 -0.55 0.00 0.00 176.35 175.32 2kbs s THR 86 N -0.90 4.97 -0.14 5.48 2.01 -1.26 -2.22 115.64 123.59 2kbs s THR 86 Ca -0.07 0.71 -0.02 0.00 0.31 0.00 0.00 61.69 62.63 2kbs s THR 86 Cb -0.07 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2kbs s THR 86 CO -0.00 -0.14 -0.08 0.27 -0.69 0.00 0.00 174.62 173.98 2kbs s ILE 87 N 2.52 3.51 -0.47 1.82 -4.36 0.02 0.67 121.20 124.91 2kbs s ILE 87 Ca 0.23 -0.50 -0.13 0.00 -0.26 0.00 0.00 60.65 59.99 2kbs s ILE 87 Cb -0.15 -2.50 0.09 0.00 1.25 0.00 0.00 42.46 41.15 2kbs s ILE 87 CO 0.12 0.52 0.36 -0.55 0.24 0.00 0.00 174.94 175.63 2kbs s SER 88 N 0.24 5.94 0.10 4.36 0.15 0.13 -1.19 113.70 123.42 2kbs s SER 88 Ca -0.05 -1.53 0.03 0.00 0.70 0.00 0.00 55.95 55.10 2kbs s SER 88 Cb -0.15 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 2kbs s SER 88 CO 0.04 -0.65 0.12 -0.51 1.20 0.00 0.00 173.24 173.44 2kbs s ILE 89 N 1.53 4.66 -0.17 6.45 -1.16 0.89 0.62 121.20 134.02 2kbs s ILE 89 Ca 0.04 -0.80 -0.00 0.00 -0.51 0.00 0.00 60.65 59.38 2kbs s ILE 89 Cb -0.25 -3.29 0.04 0.00 0.61 0.00 0.00 42.46 39.57 2kbs s ILE 89 CO 0.04 0.06 -0.08 -0.69 -2.81 0.00 0.00 174.94 171.46 2kbs s VAL 90 N -1.51 1.31 0.36 4.00 1.01 -0.29 0.16 120.40 125.44 2kbs s VAL 90 Ca 0.31 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 2kbs s VAL 90 Cb -0.12 -1.41 -0.12 0.00 0.00 0.00 0.00 36.38 34.73 2kbs s VAL 90 CO 0.23 0.19 1.35 0.00 0.00 0.00 0.00 175.10 176.87 2kbs n ALA 91 N 4.81 1.61 0.00 5.51 0.00 -1.26 -1.87 120.51 129.31 2kbs n ALA 91 Ca -0.13 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2kbs n ALA 91 Cb 0.48 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2kbs n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kbs n ALA 92 N 0.28 0.00 0.33 0.00 0.00 -1.26 -4.81 120.51 115.05 2kbs n ALA 92 Ca 0.04 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.69 2kbs n ALA 92 Cb 0.37 0.00 1.17 0.00 0.00 0.00 0.00 19.45 20.99 2kbs n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kbs h ALA 93 N 0.00 1.10 0.00 0.00 0.00 -1.55 -2.68 119.26 116.13 2kbs h ALA 93 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2kbs h ALA 93 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2kbs h ALA 93 CO 0.00 -0.02 -1.77 0.41 0.00 0.00 0.00 179.25 177.88 2kbs n GLY 94 N -1.12 -0.51 0.35 0.00 0.00 0.19 -4.56 105.19 99.53 2kbs n GLY 94 Ca -0.03 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.92 2kbs n GLY 94 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kbs h ARG 95 N 0.00 0.51 -0.51 1.61 3.08 0.64 -2.18 114.38 117.53 2kbs h ARG 95 Ca -0.30 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 59.82 2kbs h ARG 95 Cb 1.66 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 31.50 2kbs h ARG 95 CO 0.01 0.34 -0.10 1.49 -1.07 0.00 0.00 179.97 180.64 2kbs h GLU 96 N 0.53 0.02 -0.30 0.04 4.81 -1.76 0.24 114.58 118.16 2kbs h GLU 96 Ca 0.29 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.34 2kbs h GLU 96 Cb 0.45 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2kbs h GLU 96 CO -0.09 0.02 -0.53 -0.07 -0.73 0.00 0.00 179.01 177.61 2kbs h LEU 97 N 0.02 0.98 -0.42 1.64 3.38 -1.70 -3.24 115.31 115.98 2kbs h LEU 97 Ca 0.25 -0.51 0.07 0.00 0.09 0.00 0.00 57.88 57.77 2kbs h LEU 97 Cb 0.38 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2kbs h LEU 97 CO -0.50 1.31 0.08 -0.26 0.09 0.00 0.00 178.44 179.16 2kbs h PHE 98 N 0.68 0.12 -3.39 1.13 0.04 -0.81 -3.40 116.94 111.32 2kbs h PHE 98 Ca 0.02 0.03 -0.55 0.00 2.80 0.00 0.00 57.97 60.26 2kbs h PHE 98 Cb 1.13 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.25 2kbs h PHE 98 CO 0.07 0.00 0.16 0.00 -0.60 0.00 0.00 178.31 177.95 2kbs s MET 99 N -6.16 4.48 0.00 1.51 0.23 -0.03 -5.10 119.30 114.23 2kbs s MET 99 Ca -0.13 1.03 0.00 0.00 -1.03 0.00 0.00 55.69 55.56 2kbs s MET 99 Cb 0.14 -3.43 0.00 0.00 -1.53 0.00 0.00 34.83 30.00 2kbs s MET 99 CO 0.72 0.08 0.00 2.41 -2.03 0.00 0.00 175.02 176.20