#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbs n GLU 10 N 0.00 -3.72 -4.89 1.97 1.02 -1.26 -4.93 120.64 108.83 2kbs n GLU 10 Ca 0.00 2.94 -0.33 0.00 -0.02 0.00 0.00 57.16 59.76 2kbs n GLU 10 Cb 0.00 -3.84 -0.15 0.00 -0.02 0.00 0.00 31.44 27.43 2kbs n GLU 10 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2kbs s LYS 11 N -4.99 3.22 -0.04 3.49 2.20 0.23 -4.96 119.74 118.89 2kbs s LYS 11 Ca 0.00 -0.73 -0.17 0.00 -0.36 0.00 0.00 55.97 54.71 2kbs s LYS 11 Cb 0.00 -2.53 -0.05 0.00 -1.51 0.00 0.00 37.83 33.73 2kbs s LYS 11 CO 0.00 0.25 0.48 0.21 -0.36 0.00 0.00 175.35 175.92 2kbs s LYS 12 N 0.24 4.18 0.01 4.03 2.47 -1.26 -0.55 119.74 128.85 2kbs s LYS 12 Ca -0.10 0.50 0.01 0.00 -1.56 0.00 0.00 55.97 54.82 2kbs s LYS 12 Cb -0.16 -3.33 -0.01 0.00 -1.46 0.00 0.00 37.83 32.88 2kbs s LYS 12 CO 0.06 0.43 -0.04 0.08 0.16 0.00 0.00 175.35 176.04 2kbs s VAL 13 N -0.28 0.29 -0.08 4.02 1.01 -0.39 -4.93 120.40 120.04 2kbs s VAL 13 Ca 0.26 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2kbs s VAL 13 Cb -0.17 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 35.94 2kbs s VAL 13 CO 0.13 -0.04 -0.16 0.72 0.00 0.00 0.00 175.10 175.75 2kbs s PHE 14 N -0.37 1.82 -0.28 5.22 -0.71 -1.26 -0.62 117.98 121.77 2kbs s PHE 14 Ca -0.02 -0.70 0.03 0.00 -1.04 0.00 0.00 56.93 55.19 2kbs s PHE 14 Cb -0.03 -1.28 0.07 0.00 -1.21 0.00 0.00 43.02 40.57 2kbs s PHE 14 CO -0.00 -0.32 -0.04 0.42 -1.34 0.00 0.00 175.22 173.94 2kbs s ILE 15 N 0.56 1.98 -0.05 -4.49 -1.09 -0.91 -4.85 121.20 112.35 2kbs s ILE 15 Ca -0.16 -1.74 0.14 0.00 -2.23 0.00 0.00 60.65 56.67 2kbs s ILE 15 Cb -0.17 -2.25 -0.22 0.00 -1.58 0.00 0.00 42.46 38.25 2kbs s ILE 15 CO 0.05 -0.25 0.26 -0.24 -1.23 0.00 0.00 174.94 173.53 2kbs n SER 16 N 4.46 1.58 -0.89 3.58 2.88 -1.26 -1.65 113.62 122.31 2kbs n SER 16 Ca -0.08 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.57 2kbs n SER 16 Cb 0.42 1.47 -0.06 0.00 -0.75 0.00 0.00 64.21 65.29 2kbs n SER 16 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kbs n LEU 17 N -2.15 -0.64 -0.04 2.46 0.00 -1.26 -4.42 117.00 110.95 2kbs n LEU 17 Ca -0.08 1.50 -0.04 0.00 0.00 0.00 0.00 56.01 57.39 2kbs n LEU 17 Cb 0.53 -1.93 -0.01 0.00 0.00 0.00 0.00 43.42 42.01 2kbs n LEU 17 CO 0.31 -1.34 -0.31 0.52 0.00 0.00 0.00 177.39 176.57 2kbs n VAL 18 N -3.46 0.70 0.00 1.96 0.31 -1.26 -5.04 118.33 111.54 2kbs n VAL 18 Ca -0.06 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2kbs n VAL 18 Cb 0.43 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 2kbs n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kbs n GLY 19 N 1.49 0.12 1.16 2.92 0.00 -1.26 -5.03 105.19 104.59 2kbs n GLY 19 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 2kbs n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kbs n SER 20 N -1.48 -0.82 0.01 1.61 3.41 -1.26 -4.93 113.62 110.15 2kbs n SER 20 Ca 0.00 -2.01 -0.07 0.00 -0.26 0.00 0.00 58.87 56.53 2kbs n SER 20 Cb 0.00 0.26 -0.13 0.00 -0.26 0.00 0.00 64.21 64.09 2kbs n SER 20 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2kbs h ARG 21 N 0.17 0.00 0.00 4.33 -0.00 -2.00 -3.51 114.38 113.37 2kbs h ARG 21 Ca -0.53 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.45 2kbs h ARG 21 Cb 1.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.42 2kbs h ARG 21 CO -0.24 0.60 0.00 0.41 -0.00 0.00 0.00 179.97 180.73 2kbs n GLY 22 N 1.48 1.00 0.35 0.08 0.00 -1.26 -4.67 105.19 102.18 2kbs n GLY 22 Ca -0.12 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.80 2kbs n GLY 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kbs h LEU 23 N 0.00 1.04 -0.05 0.99 5.85 -1.98 -3.39 115.31 117.78 2kbs h LEU 23 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2kbs h LEU 23 Cb 0.00 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 2kbs h LEU 23 CO 0.00 0.73 0.00 0.61 -0.34 0.00 0.00 178.44 179.44 2kbs n GLY 24 N -1.36 1.51 3.54 3.75 0.00 -1.26 0.13 105.19 111.50 2kbs n GLY 24 Ca 0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.00 4.36 -0.03 0.00 0.01 -1.05 -4.98 113.70 109.00 2kbs s SER 26 Ca 0.21 -1.20 -0.03 0.00 1.31 0.00 0.00 55.95 56.23 2kbs s SER 26 Cb -0.00 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 66.02 2kbs s SER 26 CO 0.07 -0.65 0.08 0.27 0.41 0.00 0.00 173.24 173.42 2kbs s ILE 27 N -2.67 0.00 0.27 1.44 -4.36 -1.26 -0.16 121.20 114.46 2kbs s ILE 27 Ca 0.35 -0.03 0.10 0.00 -0.26 0.00 0.00 60.65 60.81 2kbs s ILE 27 Cb 0.03 -0.13 -0.05 0.00 1.25 0.00 0.00 42.46 43.56 2kbs s ILE 27 CO 0.19 -0.02 -0.14 -0.55 0.24 0.00 0.00 174.94 174.66 2kbs s SER 28 N -0.01 3.24 -0.10 4.36 0.15 -0.68 -4.81 113.70 115.85 2kbs s SER 28 Ca -0.01 -1.09 -0.03 0.00 0.70 0.00 0.00 55.95 55.52 2kbs s SER 28 Cb -0.01 -0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 2kbs s SER 28 CO 0.00 -0.12 0.03 -0.94 1.20 0.00 0.00 173.24 173.42 2kbs s SER 29 N -3.47 5.50 0.64 5.45 1.04 -1.26 0.14 113.70 121.74 2kbs s SER 29 Ca 0.29 0.20 -0.03 0.00 0.48 0.00 0.00 55.95 56.88 2kbs s SER 29 Cb -0.01 -1.65 0.05 0.00 0.10 0.00 0.00 66.02 64.51 2kbs s SER 29 CO 0.13 0.36 0.92 -0.83 0.98 0.00 0.00 173.24 174.79 2kbs s GLY 30 N -0.75 1.75 0.29 7.32 0.00 -1.20 -4.98 107.32 109.74 2kbs s GLY 30 Ca 0.12 -1.10 -0.05 0.00 0.00 0.00 0.00 44.72 43.69 2kbs s GLY 30 CO 0.02 -0.74 0.22 -1.55 0.00 0.00 0.00 173.10 171.06 2kbs n PRO 31 N -2.69 -1.86 0.22 2.90 -0.04 -1.26 -4.48 135.00 127.79 2kbs n PRO 31 Ca 0.08 -0.36 0.09 0.00 -0.04 0.00 0.00 63.50 63.27 2kbs n PRO 31 Cb 0.60 -0.38 0.47 0.00 -0.04 0.00 0.00 33.50 34.15 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 -1.97 0.70 0.00 0.52 2.04 -1.99 -1.66 117.51 115.15 2kbs h ILE 32 Ca -0.09 -1.14 -0.08 0.00 1.00 0.00 0.00 64.86 64.55 2kbs h ILE 32 Cb 0.28 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2kbs h ILE 32 CO 0.06 0.26 -0.38 1.56 0.00 0.00 0.00 178.15 179.64 2kbs h GLN 33 N 0.00 0.00 -1.23 2.37 4.20 -2.05 -3.36 115.11 115.04 2kbs h GLN 33 Ca -0.00 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.30 2kbs h GLN 33 Cb 0.71 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.19 2kbs h GLN 33 CO 0.03 0.38 -0.89 1.63 -0.67 0.00 0.00 178.83 179.31 2kbs n LYS 34 N -3.72 0.89 -2.03 1.46 5.02 -1.05 -5.12 118.16 113.60 2kbs n LYS 34 Ca -0.01 -2.75 -0.42 0.00 -2.02 0.00 0.00 58.31 53.11 2kbs n LYS 34 Cb 0.47 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 2kbs n LYS 34 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2kbs s PRO 35 N -1.01 4.23 0.00 1.97 0.02 -0.65 -4.22 135.00 135.34 2kbs s PRO 35 Ca 0.33 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.56 2kbs s PRO 35 Cb 0.27 -3.50 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2kbs s PRO 35 CO -0.11 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 2kbs n GLY 36 N 3.82 -0.45 3.58 0.52 0.00 -1.26 -4.79 105.19 106.62 2kbs n GLY 36 Ca 0.14 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 2kbs n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kbs s ILE 37 N -2.00 4.87 0.45 -0.61 -1.09 -1.26 -3.24 121.20 118.32 2kbs s ILE 37 Ca 0.00 0.74 0.08 0.00 -2.23 0.00 0.00 60.65 59.24 2kbs s ILE 37 Cb 0.00 -4.08 0.01 0.00 -1.58 0.00 0.00 42.46 36.81 2kbs s ILE 37 CO 0.00 -0.28 0.51 -0.36 -1.23 0.00 0.00 174.94 173.57 2kbs s PHE 38 N 2.76 2.50 -0.12 3.97 0.40 0.12 -1.08 117.98 126.53 2kbs s PHE 38 Ca 0.26 -0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 56.05 2kbs s PHE 38 Cb -0.14 -2.24 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 2kbs s PHE 38 CO 0.14 -0.39 -0.01 0.42 0.70 0.00 0.00 175.22 176.08 2kbs s ILE 39 N -2.47 4.17 0.00 0.64 -1.09 -0.43 -1.68 121.20 120.34 2kbs s ILE 39 Ca 0.51 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 2kbs s ILE 39 Cb -0.06 -2.80 0.00 0.00 -1.58 0.00 0.00 42.46 38.02 2kbs s ILE 39 CO 0.31 0.54 0.00 -1.20 -1.23 0.00 0.00 174.94 173.36 2kbs n SER 40 N 2.88 0.61 -4.49 3.58 7.64 0.77 -3.09 113.62 121.52 2kbs n SER 40 Ca -0.18 -0.96 -0.42 0.00 1.01 0.00 0.00 58.87 58.32 2kbs n SER 40 Cb 0.53 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.74 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 -0.67 -0.04 -4.21 1.43 -0.00 -1.26 -3.82 115.22 106.65 2kbs n HIS 41 Ca 0.00 0.61 -0.24 0.00 -0.00 0.00 0.00 57.72 58.09 2kbs n HIS 41 Cb 0.00 -2.05 -0.07 0.00 -0.00 0.00 0.00 29.99 27.87 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 -1.39 3.82 -0.10 3.57 1.01 -1.26 -2.55 120.40 123.51 2kbs s VAL 42 Ca 0.63 -1.59 0.02 0.00 0.00 0.00 0.00 61.98 61.04 2kbs s VAL 42 Cb -0.61 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2kbs s VAL 42 CO 0.58 -0.27 -0.15 -0.54 0.00 0.00 0.00 175.10 174.72 2kbs s LYS 43 N -3.44 3.01 0.97 2.72 3.01 0.04 -4.99 119.74 121.06 2kbs s LYS 43 Ca 0.30 -0.72 -0.12 0.00 -1.01 0.00 0.00 55.97 54.42 2kbs s LYS 43 Cb -0.08 -2.48 0.10 0.00 -1.01 0.00 0.00 37.83 34.35 2kbs s LYS 43 CO 0.21 0.36 0.66 -2.30 0.51 0.00 0.00 175.35 174.78 2kbs n PRO 44 N 3.09 -0.63 -3.26 -1.68 -0.02 -1.26 -4.14 135.00 127.10 2kbs n PRO 44 Ca -0.18 -0.14 -0.07 0.00 -2.02 0.00 0.00 63.50 61.09 2kbs n PRO 44 Cb 0.52 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.11 -1.25 0.00 -1.23 0.00 -1.26 -5.01 105.19 97.55 2kbs n GLY 45 Ca 0.08 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.95 0.00 0.00 1.61 7.64 -1.26 -5.00 113.62 114.66 2kbs n SER 46 Ca -0.09 -0.73 -0.21 0.00 1.01 0.00 0.00 58.87 58.85 2kbs n SER 46 Cb 0.55 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.35 -1.06 -3.43 -0.00 -0.51 -3.17 115.31 107.48 2kbs h LEU 47 Ca 0.00 -0.86 0.10 0.00 -0.00 0.00 0.00 57.88 57.12 2kbs h LEU 47 Cb 0.00 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 40.47 2kbs h LEU 47 CO 0.00 1.53 0.63 0.77 -0.00 0.00 0.00 178.44 181.37 2kbs h SER 48 N -0.41 0.93 -0.32 -0.43 4.64 -1.25 -0.30 113.55 116.42 2kbs h SER 48 Ca -0.26 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 2kbs h SER 48 Cb 1.66 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.58 2kbs h SER 48 CO 0.05 0.54 -0.08 0.00 -0.87 0.00 0.00 176.83 176.47 2kbs h ALA 49 N 1.52 0.45 -0.50 5.18 0.00 -1.81 0.25 119.26 124.34 2kbs h ALA 49 Ca 0.46 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2kbs h ALA 49 Cb 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2kbs h ALA 49 CO -0.22 0.29 0.28 0.93 0.00 0.00 0.00 179.25 180.53 2kbs h GLU 50 N 0.40 0.70 0.00 0.00 4.39 -1.32 -2.23 114.58 116.53 2kbs h GLU 50 Ca 0.08 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2kbs h GLU 50 Cb 0.58 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2kbs h GLU 50 CO 0.03 0.54 -0.29 -0.39 -1.16 0.00 0.00 179.01 177.75 2kbs h VAL 51 N 0.67 0.70 -0.95 3.13 -1.51 -1.03 -3.48 116.25 113.77 2kbs h VAL 51 Ca 0.18 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 2kbs h VAL 51 Cb 0.04 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2kbs h VAL 51 CO -0.03 0.28 0.00 0.61 -1.23 0.00 0.00 177.57 177.20 2kbs n GLY 52 N 0.18 0.74 3.86 5.19 0.00 -0.08 -4.99 105.19 110.09 2kbs n GLY 52 Ca -0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.83 3.64 -0.22 0.99 1.43 0.67 -5.01 118.68 119.36 2kbs s LEU 53 Ca 0.00 -0.46 -0.36 0.00 -1.03 0.00 0.00 54.13 52.27 2kbs s LEU 53 Cb 0.00 -2.26 0.15 0.00 0.03 0.00 0.00 46.19 44.11 2kbs s LEU 53 CO 0.00 -0.35 1.34 -0.70 0.23 0.00 0.00 176.35 176.87 2kbs s GLU 54 N -4.01 0.12 0.45 1.70 2.12 -1.26 -4.82 118.70 113.00 2kbs s GLU 54 Ca 0.41 -0.05 -0.25 0.00 0.36 0.00 0.00 54.97 55.44 2kbs s GLU 54 Cb -0.06 0.05 -0.09 0.00 0.26 0.00 0.00 34.13 34.29 2kbs s GLU 54 CO 0.27 -0.05 1.25 -0.89 -0.54 0.00 0.00 175.26 175.30 2kbs n ILE 55 N -0.14 2.78 0.00 -3.70 5.41 -1.25 -2.95 119.36 119.51 2kbs n ILE 55 Ca 0.01 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.26 2kbs n ILE 55 Cb 0.58 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 37.97 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 0.85 2.41 3.69 7.39 0.00 -1.18 -4.93 105.19 113.42 2kbs n GLY 56 Ca 0.08 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2kbs n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kbs s ASP 57 N 0.03 3.34 -0.12 1.61 1.01 -1.15 0.12 116.67 121.50 2kbs s ASP 57 Ca 0.00 1.81 -0.04 0.00 0.71 0.00 0.00 52.55 55.04 2kbs s ASP 57 Cb 0.00 -2.42 0.06 0.00 1.01 0.00 0.00 42.92 41.57 2kbs s ASP 57 CO 0.00 -2.77 0.20 -1.58 0.21 0.00 0.00 175.17 171.23 2kbs s GLN 58 N -4.78 0.10 -0.16 8.23 -0.44 -1.24 -1.31 119.66 120.06 2kbs s GLN 58 Ca 0.64 0.51 -0.29 0.00 -2.50 0.00 0.00 55.36 53.73 2kbs s GLN 58 Cb -0.20 -0.46 -0.04 0.00 -1.64 0.00 0.00 33.01 30.67 2kbs s GLN 58 CO 0.58 -0.39 1.60 0.42 0.50 0.00 0.00 175.29 178.00 2kbs s ILE 59 N 2.33 3.71 -0.16 -2.34 1.01 -0.24 -3.19 121.20 122.33 2kbs s ILE 59 Ca 0.03 0.83 0.21 0.00 0.00 0.00 0.00 60.65 61.73 2kbs s ILE 59 Cb -0.13 -3.64 -0.32 0.00 0.01 0.00 0.00 42.46 38.38 2kbs s ILE 59 CO -0.08 -0.19 0.52 1.33 0.00 0.00 0.00 174.94 176.52 2kbs n VAL 60 N 5.98 0.00 -3.66 2.92 0.24 -1.06 -4.32 118.33 118.43 2kbs n VAL 60 Ca 0.18 -0.42 -0.15 0.00 -2.04 0.00 0.00 64.34 61.90 2kbs n VAL 60 Cb 0.44 0.15 -0.08 0.00 -1.47 0.00 0.00 33.84 32.88 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 -3.41 0.83 -0.33 7.34 2.12 -1.09 -2.35 118.70 121.81 2kbs s GLU 61 Ca -0.06 0.03 -0.00 0.00 0.36 0.00 0.00 54.97 55.30 2kbs s GLU 61 Cb 0.14 0.38 0.13 0.00 0.26 0.00 0.00 34.13 35.04 2kbs s GLU 61 CO 0.88 -0.24 0.25 0.08 -0.54 0.00 0.00 175.26 175.70 2kbs s VAL 62 N -1.20 -0.17 -1.50 3.70 1.01 -0.71 -1.31 120.40 120.22 2kbs s VAL 62 Ca -0.12 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.81 2kbs s VAL 62 Cb -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.42 2kbs s VAL 62 CO 0.06 -0.69 0.81 -3.20 0.00 0.00 0.00 175.10 172.08 2kbs n ASN 63 N 4.71 -6.24 0.00 3.32 2.85 0.27 -1.67 115.26 118.50 2kbs n ASN 63 Ca 0.04 -0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.13 2kbs n ASN 63 Cb 0.43 -5.00 0.00 0.00 1.24 0.00 0.00 39.78 36.45 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 -1.70 2.92 3.64 8.20 0.00 -1.26 -4.99 105.19 112.00 2kbs n GLY 64 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.48 3.31 -0.04 1.61 1.01 -0.67 -4.92 120.40 118.22 2kbs s VAL 65 Ca 0.00 0.36 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 2kbs s VAL 65 Cb 0.00 -3.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 2kbs s VAL 65 CO 0.00 -0.09 1.75 -0.62 0.00 0.00 0.00 175.10 176.13 2kbs s ASP 66 N 4.95 6.58 -0.25 3.32 2.15 -1.26 -1.74 116.67 130.43 2kbs s ASP 66 Ca 0.83 2.32 0.10 0.00 0.43 0.00 0.00 52.55 56.23 2kbs s ASP 66 Cb -0.34 -2.53 0.66 0.00 -0.30 0.00 0.00 42.92 40.41 2kbs s ASP 66 CO 0.35 -0.99 1.61 0.49 -0.17 0.00 0.00 175.17 176.46 2kbs n PHE 67 N 7.36 1.99 -0.05 -5.34 3.01 -0.99 -4.25 117.46 119.19 2kbs n PHE 67 Ca 0.18 -0.88 -0.02 0.00 1.01 0.00 0.00 57.45 57.74 2kbs n PHE 67 Cb 0.42 -0.55 -0.02 0.00 -0.01 0.00 0.00 39.48 39.32 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 2.71 -0.00 -0.74 4.37 0.87 -1.88 -3.37 113.55 115.50 2kbs h SER 68 Ca 0.14 -0.11 -0.36 0.00 -1.23 0.00 0.00 61.79 60.22 2kbs h SER 68 Cb 1.98 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 63.72 2kbs h SER 68 CO 0.56 0.55 0.36 0.59 -0.53 0.00 0.00 176.83 178.36 2kbs n ASN 69 N -4.76 3.46 -4.85 6.23 3.02 -1.26 -4.46 115.26 112.63 2kbs n ASN 69 Ca -0.01 -3.61 -0.34 0.00 -0.03 0.00 0.00 54.58 50.59 2kbs n ASN 69 Cb 0.06 -0.76 -0.06 0.00 -0.61 0.00 0.00 39.78 38.41 2kbs n ASN 69 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2kbs s LEU 70 N -3.24 4.22 0.83 3.41 2.96 -1.26 -5.09 118.68 120.51 2kbs s LEU 70 Ca 0.52 1.10 -0.11 0.00 -0.22 0.00 0.00 54.13 55.42 2kbs s LEU 70 Cb 0.45 -3.61 0.12 0.00 0.50 0.00 0.00 46.19 43.65 2kbs s LEU 70 CO 0.08 -0.03 1.17 -0.62 -1.32 0.00 0.00 176.35 175.63 2kbs s ASP 71 N -2.06 4.06 -0.01 3.68 -1.08 -1.26 -4.75 116.67 115.25 2kbs s ASP 71 Ca 0.45 0.39 -0.24 0.00 -0.52 0.00 0.00 52.55 52.63 2kbs s ASP 71 Cb -0.13 -0.75 -0.16 0.00 -1.46 0.00 0.00 42.92 40.42 2kbs s ASP 71 CO 0.20 -2.12 1.14 -0.74 0.52 0.00 0.00 175.17 174.16 2kbs h HIS 72 N -1.10 -0.31 -0.95 -5.34 2.76 -1.98 -2.65 115.15 105.58 2kbs h HIS 72 Ca -0.44 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 57.80 2kbs h HIS 72 Cb 1.29 0.10 -0.07 0.00 1.55 0.00 0.00 27.41 30.28 2kbs h HIS 72 CO -0.27 0.06 0.61 0.87 -1.30 0.00 0.00 177.93 177.90 2kbs h LYS 73 N -0.76 1.01 -0.72 5.26 1.57 -1.99 -1.54 116.57 119.39 2kbs h LYS 73 Ca -0.03 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2kbs h LYS 73 Cb 0.50 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 2kbs h LYS 73 CO 0.06 0.67 0.48 0.93 -0.57 0.00 0.00 179.45 181.01 2kbs h GLU 74 N 1.04 0.95 -0.33 3.15 5.08 -1.94 0.33 114.58 122.86 2kbs h GLU 74 Ca 0.43 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2kbs h GLU 74 Cb 0.28 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2kbs h GLU 74 CO -0.18 0.63 0.19 0.00 -1.00 0.00 0.00 179.01 178.65 2kbs h ALA 75 N 1.26 0.42 -0.37 3.43 0.00 -0.92 -0.96 119.26 122.12 2kbs h ALA 75 Ca 0.26 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2kbs h ALA 75 Cb -0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2kbs h ALA 75 CO -0.06 -0.06 -0.36 0.28 0.00 0.00 0.00 179.25 179.06 2kbs h VAL 76 N 0.41 1.28 0.35 0.00 2.07 -1.09 -2.28 116.25 116.98 2kbs h VAL 76 Ca 0.12 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 2kbs h VAL 76 Cb 0.04 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2kbs h VAL 76 CO -0.02 0.51 -0.17 0.78 0.02 0.00 0.00 177.57 178.69 2kbs h ASN 77 N 0.71 -0.40 -0.66 0.57 2.35 -0.13 0.24 115.58 118.26 2kbs h ASN 77 Ca 0.07 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2kbs h ASN 77 Cb 0.92 0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.36 2kbs h ASN 77 CO 0.09 -0.25 0.42 -0.37 -1.65 0.00 0.00 177.43 175.67 2kbs h VAL 78 N -0.52 1.13 -0.38 2.81 -1.51 -1.22 0.92 116.25 117.49 2kbs h VAL 78 Ca -0.05 -0.29 -0.06 0.00 -1.23 0.00 0.00 66.70 65.07 2kbs h VAL 78 Cb 0.39 0.21 -0.02 0.00 -2.13 0.00 0.00 31.29 29.74 2kbs h VAL 78 CO 0.08 0.16 0.00 -0.07 -1.23 0.00 0.00 177.57 176.51 2kbs h LEU 79 N 0.85 0.57 0.00 4.19 -0.00 -1.26 0.49 115.31 120.16 2kbs h LEU 79 Ca 0.25 -0.12 -0.15 0.00 -0.00 0.00 0.00 57.88 57.87 2kbs h LEU 79 Cb -0.05 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.43 2kbs h LEU 79 CO -0.07 0.64 -0.86 0.11 -0.00 0.00 0.00 178.44 178.26 2kbs h LYS 80 N 0.58 0.00 0.00 1.13 6.56 0.29 -3.14 116.57 121.99 2kbs h LYS 80 Ca 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2kbs h LYS 80 Cb 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 2kbs h LYS 80 CO 0.01 0.53 -0.06 1.03 -2.06 0.00 0.00 179.45 178.90 2kbs h SER 81 N 0.00 0.00 -0.93 0.86 0.87 0.12 -3.38 113.55 111.09 2kbs h SER 81 Ca -0.06 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.67 2kbs h SER 81 Cb 1.52 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.41 2kbs h SER 81 CO 0.07 0.15 0.59 0.28 -0.53 0.00 0.00 176.83 177.39 2kbs h SER 82 N -0.23 0.63 0.00 6.23 0.02 -1.12 -3.45 113.55 115.64 2kbs h SER 82 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2kbs h SER 82 Cb 0.06 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2kbs h SER 82 CO 0.00 0.28 0.00 -1.14 -1.14 0.00 0.00 176.83 174.83 2kbs n ARG 83 N -4.59 0.00 -2.96 3.45 0.63 -1.19 -4.52 116.66 107.48 2kbs n ARG 83 Ca 0.19 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.68 2kbs n ARG 83 Cb 0.55 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.44 2kbs n ARG 83 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2kbs s SER 84 N -0.95 6.82 0.04 6.15 1.04 -1.24 -4.23 113.70 121.33 2kbs s SER 84 Ca 0.00 -2.47 0.05 0.00 0.48 0.00 0.00 55.95 54.01 2kbs s SER 84 Cb 0.00 -2.39 -0.02 0.00 0.10 0.00 0.00 66.02 63.71 2kbs s SER 84 CO 0.00 -0.91 -0.13 -1.48 0.98 0.00 0.00 173.24 171.70 2kbs s LEU 85 N 2.08 2.18 -0.32 2.42 0.05 -0.66 -4.96 118.68 119.46 2kbs s LEU 85 Ca 0.36 -0.47 -0.17 0.00 0.05 0.00 0.00 54.13 53.91 2kbs s LEU 85 Cb -0.04 -0.55 -0.02 0.00 -2.05 0.00 0.00 46.19 43.53 2kbs s LEU 85 CO -0.06 0.01 0.46 -0.89 -0.55 0.00 0.00 176.35 175.32 2kbs s THR 86 N -0.90 5.08 -0.16 5.48 2.01 -1.26 -2.13 115.64 123.75 2kbs s THR 86 Ca 0.00 0.41 -0.03 0.00 0.31 0.00 0.00 61.69 62.39 2kbs s THR 86 Cb -0.08 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 2kbs s THR 86 CO 0.01 -0.08 -0.06 0.27 -0.69 0.00 0.00 174.62 174.08 2kbs s ILE 87 N 2.25 3.58 -0.44 1.82 -4.36 0.21 0.97 121.20 125.23 2kbs s ILE 87 Ca 0.17 -0.46 -0.16 0.00 -0.26 0.00 0.00 60.65 59.94 2kbs s ILE 87 Cb -0.16 -2.57 0.04 0.00 1.25 0.00 0.00 42.46 41.03 2kbs s ILE 87 CO 0.12 0.48 0.40 -0.55 0.24 0.00 0.00 174.94 175.63 2kbs s SER 88 N 0.62 6.15 0.04 4.36 0.15 -0.43 -1.27 113.70 123.33 2kbs s SER 88 Ca -0.04 -1.01 0.03 0.00 0.70 0.00 0.00 55.95 55.64 2kbs s SER 88 Cb -0.15 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 2kbs s SER 88 CO 0.03 -0.59 -0.02 -0.51 1.20 0.00 0.00 173.24 173.35 2kbs s ILE 89 N 1.86 3.98 -0.15 6.45 -1.16 0.29 -2.57 121.20 129.90 2kbs s ILE 89 Ca 0.07 -0.81 -0.03 0.00 -0.51 0.00 0.00 60.65 59.37 2kbs s ILE 89 Cb -0.20 -2.82 -0.03 0.00 0.61 0.00 0.00 42.46 40.02 2kbs s ILE 89 CO 0.10 0.27 -0.05 0.54 -2.81 0.00 0.00 174.94 172.99 2kbs s VAL 90 N -1.16 3.81 0.12 4.00 0.11 -1.19 0.77 120.40 126.85 2kbs s VAL 90 Ca 0.22 -0.39 -0.31 0.00 -2.93 0.00 0.00 61.98 58.57 2kbs s VAL 90 Cb -0.11 -2.66 -0.08 0.00 -1.53 0.00 0.00 36.38 32.00 2kbs s VAL 90 CO 0.13 0.50 1.34 0.00 -3.33 0.00 0.00 175.10 173.74 2kbs s ALA 91 N 0.35 3.55 0.00 1.54 0.00 -1.26 -2.74 121.76 123.19 2kbs s ALA 91 Ca -0.05 1.07 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2kbs s ALA 91 Cb -0.14 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2kbs s ALA 91 CO 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 175.76 175.22 2kbs n ALA 92 N 3.76 0.00 0.29 0.00 0.00 -1.26 -4.87 120.51 118.43 2kbs n ALA 92 Ca 0.10 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.71 2kbs n ALA 92 Cb 0.43 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.75 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 1.44 0.00 0.00 0.00 -1.72 -2.35 119.26 116.63 2kbs h ALA 93 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2kbs h ALA 93 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kbs h ALA 93 CO 0.00 -0.32 -1.49 0.41 0.00 0.00 0.00 179.25 177.84 2kbs n GLY 94 N -1.25 -0.34 0.35 0.00 0.00 -0.41 -4.63 105.19 98.91 2kbs n GLY 94 Ca -0.01 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.00 2kbs n GLY 94 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kbs h ARG 95 N 0.00 0.52 -0.52 1.61 0.11 0.14 -2.16 114.38 114.08 2kbs h ARG 95 Ca -0.20 -0.03 0.10 0.00 0.10 0.00 0.00 59.98 59.96 2kbs h ARG 95 Cb 1.43 -0.12 -0.10 0.00 1.11 0.00 0.00 29.97 32.30 2kbs h ARG 95 CO 0.01 0.34 -0.14 1.49 0.10 0.00 0.00 179.97 181.77 2kbs h GLU 96 N 0.53 -0.01 -0.23 0.08 4.81 -1.76 0.02 114.58 118.02 2kbs h GLU 96 Ca 0.30 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.37 2kbs h GLU 96 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2kbs h GLU 96 CO -0.09 -0.01 -0.47 -0.07 -0.73 0.00 0.00 179.01 177.64 2kbs h LEU 97 N -0.01 0.81 -2.32 1.64 3.38 -1.72 -3.02 115.31 114.07 2kbs h LEU 97 Ca 0.25 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.70 2kbs h LEU 97 Cb 0.39 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2kbs h LEU 97 CO -0.54 1.21 0.21 -0.26 0.09 0.00 0.00 178.44 179.15 2kbs h PHE 98 N 0.44 0.00 -0.24 1.13 0.04 -0.69 -3.38 116.94 114.24 2kbs h PHE 98 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2kbs h PHE 98 Cb 1.08 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.23 2kbs h PHE 98 CO 0.08 0.00 0.07 -1.33 -0.60 0.00 0.00 178.31 176.54 2kbs n MET 99 N -3.37 0.38 0.00 1.51 2.81 -0.11 -5.07 117.12 113.27 2kbs n MET 99 Ca -0.00 -1.10 0.00 0.00 -1.81 0.00 0.00 57.70 54.78 2kbs n MET 99 Cb 0.30 -3.67 0.00 0.00 -0.71 0.00 0.00 33.22 29.14 2kbs n MET 99 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11