#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 3.70 0.04 1.64 2.02 -1.26 -3.14 118.70 121.70 2kbs s GLU 10 Ca 0.00 2.16 0.02 0.00 0.02 0.00 0.00 54.97 57.16 2kbs s GLU 10 Cb 0.00 -4.20 -0.04 0.00 0.10 0.00 0.00 34.13 29.99 2kbs s GLU 10 CO 0.00 -1.45 0.08 0.21 0.02 0.00 0.00 175.26 174.12 2kbs s LYS 11 N 5.18 2.95 -0.09 1.61 2.20 0.34 -4.97 119.74 126.97 2kbs s LYS 11 Ca 0.88 -0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 55.89 2kbs s LYS 11 Cb -0.35 -2.78 -0.03 0.00 -1.51 0.00 0.00 37.83 33.17 2kbs s LYS 11 CO 0.36 0.60 -0.05 0.21 -0.36 0.00 0.00 175.35 176.11 2kbs s LYS 12 N -2.07 2.97 -0.06 4.03 2.47 -1.26 -0.67 119.74 125.15 2kbs s LYS 12 Ca 0.26 -0.51 -0.02 0.00 -1.56 0.00 0.00 55.97 54.13 2kbs s LYS 12 Cb -0.12 -2.69 0.04 0.00 -1.46 0.00 0.00 37.83 33.60 2kbs s LYS 12 CO 0.18 0.60 0.13 0.08 0.16 0.00 0.00 175.35 176.50 2kbs s VAL 13 N -0.62 -0.07 -0.24 4.02 1.01 -0.36 -4.90 120.40 119.24 2kbs s VAL 13 Ca 0.09 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 2kbs s VAL 13 Cb -0.12 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.06 2kbs s VAL 13 CO 0.02 0.09 -0.06 -0.36 0.00 0.00 0.00 175.10 174.78 2kbs s PHE 14 N 1.29 3.02 -0.22 5.22 0.40 -1.26 0.35 117.98 126.78 2kbs s PHE 14 Ca -0.08 -1.40 -0.08 0.00 -0.60 0.00 0.00 56.93 54.77 2kbs s PHE 14 Cb -0.12 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.31 2kbs s PHE 14 CO -0.06 -0.69 0.08 0.42 0.70 0.00 0.00 175.22 175.67 2kbs s ILE 15 N 1.36 4.65 -0.04 0.64 -1.09 -0.85 -4.98 121.20 120.90 2kbs s ILE 15 Ca 0.02 -0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.36 2kbs s ILE 15 Cb -0.16 -3.14 0.03 0.00 -1.58 0.00 0.00 42.46 37.61 2kbs s ILE 15 CO -0.05 0.38 0.02 -0.44 -1.23 0.00 0.00 174.94 173.63 2kbs s SER 16 N 1.05 0.83 -1.28 3.58 0.01 -1.26 -0.09 113.70 116.53 2kbs s SER 16 Ca 0.05 0.00 -0.19 0.00 1.31 0.00 0.00 55.95 57.12 2kbs s SER 16 Cb -0.14 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 65.89 2kbs s SER 16 CO 0.03 -0.17 1.85 -0.11 0.41 0.00 0.00 173.24 175.26 2kbs n LEU 17 N 4.69 4.82 0.15 2.44 0.00 -1.24 -4.71 117.00 123.14 2kbs n LEU 17 Ca -0.16 -3.76 0.00 0.00 0.00 0.00 0.00 56.01 52.09 2kbs n LEU 17 Cb 0.50 -1.71 0.28 0.00 0.00 0.00 0.00 43.42 42.49 2kbs n LEU 17 CO 0.15 -0.11 0.65 -0.37 0.00 0.00 0.00 177.39 177.70 2kbs h VAL 18 N 5.41 1.32 0.00 1.96 -1.51 -1.95 -3.44 116.25 118.03 2kbs h VAL 18 Ca 0.42 -1.54 0.00 0.00 -1.23 0.00 0.00 66.70 64.35 2kbs h VAL 18 Cb 0.84 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 2kbs h VAL 18 CO 1.50 0.45 0.00 0.61 -1.23 0.00 0.00 177.57 178.90 2kbs n GLY 19 N -0.22 0.80 2.76 5.19 0.00 -1.26 -5.06 105.19 107.40 2kbs n GLY 19 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.93 -3.99 1.61 3.41 -1.26 -5.10 113.62 109.22 2kbs n SER 20 Ca 0.00 -2.25 -0.09 0.00 -0.26 0.00 0.00 58.87 56.27 2kbs n SER 20 Cb 0.00 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 63.59 2kbs n SER 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kbs s ARG 21 N -2.88 0.36 0.00 4.33 3.03 -1.26 -5.16 118.95 117.37 2kbs s ARG 21 Ca 0.24 -0.67 0.00 0.00 2.03 0.00 0.00 55.73 57.33 2kbs s ARG 21 Cb 0.38 0.13 0.00 0.00 -1.03 0.00 0.00 34.95 34.43 2kbs s ARG 21 CO -0.03 -0.06 0.00 0.41 -1.13 0.00 0.00 175.30 174.48 2kbs n GLY 22 N 1.40 -3.57 0.17 3.88 0.00 -1.26 -4.85 105.19 100.95 2kbs n GLY 22 Ca -0.23 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 2kbs n GLY 22 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2kbs h LEU 23 N 0.00 0.81 0.00 0.99 8.10 -1.98 -3.38 115.31 119.85 2kbs h LEU 23 Ca 0.00 -0.82 0.00 0.00 0.11 0.00 0.00 57.88 57.17 2kbs h LEU 23 Cb 0.00 -0.25 0.00 0.00 -0.44 0.00 0.00 40.66 39.97 2kbs h LEU 23 CO 0.00 1.55 0.00 0.61 -4.11 0.00 0.00 178.44 176.49 2kbs n GLY 24 N 1.35 1.17 3.22 0.17 0.00 -1.26 0.11 105.19 109.94 2kbs n GLY 24 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.93 4.36 -0.02 0.00 0.01 -0.94 -4.97 113.70 109.21 2kbs s SER 26 Ca 0.13 -1.27 -0.05 0.00 1.31 0.00 0.00 55.95 56.07 2kbs s SER 26 Cb 0.01 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2kbs s SER 26 CO -0.00 -0.73 0.11 0.27 0.41 0.00 0.00 173.24 173.30 2kbs s ILE 27 N -2.71 0.05 0.21 1.44 -4.36 -1.26 -0.07 121.20 114.50 2kbs s ILE 27 Ca 0.31 -0.41 0.05 0.00 -0.26 0.00 0.00 60.65 60.34 2kbs s ILE 27 Cb 0.03 -0.30 -0.05 0.00 1.25 0.00 0.00 42.46 43.39 2kbs s ILE 27 CO 0.18 -0.23 -0.08 -0.55 0.24 0.00 0.00 174.94 174.50 2kbs s SER 28 N -0.75 2.19 -0.03 4.36 0.15 -0.75 -4.79 113.70 114.09 2kbs s SER 28 Ca -0.08 -1.11 -0.01 0.00 0.70 0.00 0.00 55.95 55.45 2kbs s SER 28 Cb -0.05 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 2kbs s SER 28 CO 0.01 -0.34 0.07 -0.44 1.20 0.00 0.00 173.24 173.74 2kbs s SER 29 N -3.30 5.67 0.74 5.45 0.01 -1.26 0.09 113.70 121.10 2kbs s SER 29 Ca 0.24 0.18 -0.04 0.00 1.31 0.00 0.00 55.95 57.64 2kbs s SER 29 Cb 0.03 -1.65 0.11 0.00 0.21 0.00 0.00 66.02 64.72 2kbs s SER 29 CO 0.07 0.31 1.03 -0.83 0.41 0.00 0.00 173.24 174.22 2kbs s GLY 30 N -1.50 1.76 0.00 3.44 0.00 -1.15 -4.95 107.32 104.91 2kbs s GLY 30 Ca 0.20 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.50 2kbs s GLY 30 CO 0.11 -0.89 0.00 -1.55 0.00 0.00 0.00 173.10 170.77 2kbs n PRO 31 N -2.95 0.90 0.05 2.90 -0.04 -1.26 -4.60 135.00 130.01 2kbs n PRO 31 Ca 0.13 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.57 2kbs n PRO 31 Cb 0.60 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.57 0.85 -0.16 0.52 2.04 -1.99 -2.50 117.51 115.71 2kbs h ILE 32 Ca 0.00 -2.41 -0.08 0.00 1.00 0.00 0.00 64.86 63.37 2kbs h ILE 32 Cb 0.00 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 2kbs h ILE 32 CO 0.00 0.49 -0.24 1.56 0.00 0.00 0.00 178.15 179.95 2kbs h GLN 33 N 0.00 0.29 -0.93 2.37 4.20 -2.06 -3.37 115.11 115.62 2kbs h GLN 33 Ca -0.12 -0.09 -0.37 0.00 0.06 0.00 0.00 58.65 58.13 2kbs h GLN 33 Cb 1.64 -0.02 -0.25 0.00 0.30 0.00 0.00 27.48 29.14 2kbs h GLN 33 CO 0.07 0.52 -0.76 1.63 -0.67 0.00 0.00 178.83 179.61 2kbs n LYS 34 N -4.16 0.73 -2.37 1.46 5.02 -1.25 -5.14 118.16 112.46 2kbs n LYS 34 Ca -0.01 -2.40 -0.41 0.00 -2.02 0.00 0.00 58.31 53.47 2kbs n LYS 34 Cb 0.36 -1.36 -0.04 0.00 -0.02 0.00 0.00 35.03 33.97 2kbs n LYS 34 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kbs s PRO 35 N -0.11 4.52 0.00 1.97 0.04 -0.94 -4.19 135.00 136.30 2kbs s PRO 35 Ca 0.33 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2kbs s PRO 35 Cb 0.19 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2kbs s PRO 35 CO -0.18 -0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2kbs n GLY 36 N 1.64 -1.48 3.58 0.56 0.00 -1.26 -4.57 105.19 103.66 2kbs n GLY 36 Ca 0.02 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.46 5.02 0.42 -0.61 -1.09 -1.26 -2.93 121.20 118.30 2kbs s ILE 37 Ca 0.00 0.55 0.08 0.00 -2.23 0.00 0.00 60.65 59.04 2kbs s ILE 37 Cb 0.00 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 2kbs s ILE 37 CO 0.00 -0.13 0.43 -0.36 -1.23 0.00 0.00 174.94 173.66 2kbs s PHE 38 N 2.41 2.68 -0.13 3.97 0.40 0.11 -1.85 117.98 125.57 2kbs s PHE 38 Ca 0.20 -0.48 -0.03 0.00 -0.60 0.00 0.00 56.93 56.02 2kbs s PHE 38 Cb -0.15 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.13 2kbs s PHE 38 CO 0.12 -0.22 -0.02 0.42 0.70 0.00 0.00 175.22 176.22 2kbs s ILE 39 N -2.45 4.12 0.00 0.64 -1.09 -0.76 -1.80 121.20 119.85 2kbs s ILE 39 Ca 0.50 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 2kbs s ILE 39 Cb -0.05 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 2kbs s ILE 39 CO 0.29 0.53 0.00 -1.20 -1.23 0.00 0.00 174.94 173.34 2kbs n SER 40 N 2.97 0.61 -4.54 3.58 7.64 0.89 -2.81 113.62 121.97 2kbs n SER 40 Ca -0.18 -0.97 -0.38 0.00 1.01 0.00 0.00 58.87 58.35 2kbs n SER 40 Cb 0.53 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.77 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 -4.23 1.43 -0.00 -1.26 -3.66 115.22 106.87 2kbs n HIS 41 Ca 0.00 0.45 -0.17 0.00 -0.00 0.00 0.00 57.72 58.00 2kbs n HIS 41 Cb 0.00 -2.05 -0.11 0.00 -0.00 0.00 0.00 29.99 27.83 2kbs n HIS 41 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2kbs s VAL 42 N -1.60 1.26 0.08 3.57 -7.23 -1.26 -2.22 120.40 113.00 2kbs s VAL 42 Ca 0.71 -1.75 -0.06 0.00 -1.81 0.00 0.00 61.98 59.07 2kbs s VAL 42 Cb -0.45 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 2kbs s VAL 42 CO 0.52 -0.48 0.35 -0.54 -0.31 0.00 0.00 175.10 174.63 2kbs s LYS 43 N -2.82 3.64 0.35 4.82 1.02 0.18 -4.98 119.74 121.94 2kbs s LYS 43 Ca 0.09 -0.03 -0.26 0.00 0.02 0.00 0.00 55.97 55.80 2kbs s LYS 43 Cb -0.04 -2.96 -0.09 0.00 -0.52 0.00 0.00 37.83 34.22 2kbs s LYS 43 CO 0.02 0.55 1.00 -1.25 -0.92 0.00 0.00 175.35 174.76 2kbs s PRO 44 N -2.19 4.42 0.00 -1.68 0.04 -1.26 -3.59 135.00 130.74 2kbs s PRO 44 Ca 0.35 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2kbs s PRO 44 Cb -0.13 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.68 2kbs s PRO 44 CO 0.21 0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.75 2kbs n GLY 45 N 0.53 3.12 3.38 0.56 0.00 -1.26 -5.03 105.19 106.49 2kbs n GLY 45 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 0.14 -1.14 0.00 1.61 7.64 -1.24 -4.88 113.62 115.76 2kbs n SER 46 Ca 0.00 -1.26 -0.08 0.00 1.01 0.00 0.00 58.87 58.54 2kbs n SER 46 Cb 0.00 -0.94 0.08 0.00 -1.01 0.00 0.00 64.21 62.34 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 0.59 -0.28 -3.43 3.38 -0.35 -2.75 115.31 112.48 2kbs h LEU 47 Ca -0.39 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.35 2kbs h LEU 47 Cb 1.14 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 2kbs h LEU 47 CO 0.26 0.98 -0.14 -1.28 0.09 0.00 0.00 178.44 178.35 2kbs h SER 48 N 0.43 -0.48 0.04 -0.43 0.87 0.43 0.89 113.55 115.30 2kbs h SER 48 Ca 0.02 0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.60 2kbs h SER 48 Cb 1.01 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2kbs h SER 48 CO 0.09 -0.18 -0.30 0.00 -0.53 0.00 0.00 176.83 175.91 2kbs h ALA 49 N 1.10 1.13 -0.07 6.23 0.00 -1.74 0.18 119.26 126.09 2kbs h ALA 49 Ca 0.15 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2kbs h ALA 49 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kbs h ALA 49 CO -0.35 0.55 -0.27 0.93 0.00 0.00 0.00 179.25 180.12 2kbs h GLU 50 N 0.34 0.12 0.00 0.00 4.39 -0.92 -2.67 114.58 115.84 2kbs h GLU 50 Ca 0.05 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kbs h GLU 50 Cb 0.70 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2kbs h GLU 50 CO 0.05 0.39 -0.91 -0.39 -1.16 0.00 0.00 179.01 176.99 2kbs h VAL 51 N 0.11 0.08 0.00 3.13 -1.51 -0.56 -3.48 116.25 114.03 2kbs h VAL 51 Ca 0.02 -1.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.34 2kbs h VAL 51 Cb 0.54 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2kbs h VAL 51 CO 0.04 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 177.03 2kbs n GLY 52 N 1.20 1.10 3.92 5.19 0.00 -0.61 -5.02 105.19 110.97 2kbs n GLY 52 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 3.82 0.00 0.99 1.43 0.53 -5.01 118.68 120.45 2kbs s LEU 53 Ca 0.00 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 2kbs s LEU 53 Cb 0.00 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2kbs s LEU 53 CO 0.00 -0.43 0.00 -1.84 0.23 0.00 0.00 176.35 174.31 2kbs n GLU 54 N -1.92 -0.38 -1.76 1.70 0.28 -1.26 -4.65 120.64 112.65 2kbs n GLU 54 Ca -0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.61 2kbs n GLU 54 Cb 0.55 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.48 2kbs n GLU 54 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2kbs s ILE 55 N -2.00 2.04 0.00 3.84 1.01 -1.24 -3.18 121.20 121.67 2kbs s ILE 55 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2kbs s ILE 55 Cb 0.00 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.46 2kbs s ILE 55 CO 0.00 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2kbs n GLY 56 N 0.79 3.09 3.36 6.18 0.00 -1.12 -4.94 105.19 112.55 2kbs n GLY 56 Ca 0.12 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 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 0.97 -2.12 -3.45 1.61 8.00 -1.19 0.14 116.55 120.51 2kbs n ASP 57 Ca 0.00 -0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 2kbs n ASP 57 Cb 0.00 -1.08 -0.09 0.00 -0.02 0.00 0.00 41.12 39.93 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 -3.82 0.32 -0.05 -1.24 -0.44 -1.23 -1.84 119.66 111.36 2kbs s GLN 58 Ca 0.61 0.65 -0.30 0.00 -2.50 0.00 0.00 55.36 53.82 2kbs s GLN 58 Cb -0.17 -0.30 -0.05 0.00 -1.64 0.00 0.00 33.01 30.84 2kbs s GLN 58 CO 0.66 -0.53 1.51 0.42 0.50 0.00 0.00 175.29 177.86 2kbs s ILE 59 N 2.54 3.69 -0.91 -2.34 1.01 -0.77 -1.69 121.20 122.73 2kbs s ILE 59 Ca 0.08 0.94 0.10 0.00 0.00 0.00 0.00 60.65 61.77 2kbs s ILE 59 Cb -0.14 -3.60 0.25 0.00 0.01 0.00 0.00 42.46 38.97 2kbs s ILE 59 CO -0.14 -0.05 1.17 1.33 0.00 0.00 0.00 174.94 177.25 2kbs n VAL 60 N 5.16 0.85 -3.61 2.92 0.24 0.17 -4.43 118.33 119.64 2kbs n VAL 60 Ca 0.15 -0.93 -0.07 0.00 -2.04 0.00 0.00 64.34 61.45 2kbs n VAL 60 Cb 0.43 0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 33.35 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 -0.98 0.39 -0.29 7.34 2.12 -0.64 -1.86 118.70 124.78 2kbs s GLU 61 Ca 0.20 0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.72 2kbs s GLU 61 Cb 0.11 0.18 0.17 0.00 0.26 0.00 0.00 34.13 34.85 2kbs s GLU 61 CO 0.14 -0.11 0.44 0.08 -0.54 0.00 0.00 175.26 175.28 2kbs s VAL 62 N -0.80 -0.71 -1.47 3.70 1.01 0.02 0.00 120.40 122.15 2kbs s VAL 62 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 2kbs s VAL 62 Cb -0.02 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2kbs s VAL 62 CO -0.04 -0.22 0.04 -3.20 0.00 0.00 0.00 175.10 171.68 2kbs n ASN 63 N 5.37 -5.12 0.00 3.32 2.85 0.18 -2.05 115.26 119.81 2kbs n ASN 63 Ca 0.01 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2kbs n ASN 63 Cb 0.50 -4.19 0.00 0.00 1.24 0.00 0.00 39.78 37.33 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 -1.05 2.66 3.65 8.20 0.00 -1.26 -5.04 105.19 112.36 2kbs n GLY 64 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.72 3.76 -0.01 1.61 1.01 -0.87 -4.95 120.40 118.22 2kbs s VAL 65 Ca 0.00 0.90 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 2kbs s VAL 65 Cb 0.00 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 2kbs s VAL 65 CO 0.00 -0.14 1.52 -1.81 0.00 0.00 0.00 175.10 174.66 2kbs s ASP 66 N 3.34 6.75 -0.22 3.32 1.11 -1.26 -0.80 116.67 128.91 2kbs s ASP 66 Ca 0.69 2.19 0.13 0.00 0.18 0.00 0.00 52.55 55.75 2kbs s ASP 66 Cb -0.28 -2.55 0.78 0.00 1.07 0.00 0.00 42.92 41.93 2kbs s ASP 66 CO 0.26 -0.82 1.69 0.49 1.18 0.00 0.00 175.17 177.97 2kbs n PHE 67 N 6.02 1.97 -0.31 4.23 3.01 -0.78 -4.24 117.46 127.37 2kbs n PHE 67 Ca 0.15 -0.68 -0.04 0.00 1.01 0.00 0.00 57.45 57.88 2kbs n PHE 67 Cb 0.43 -0.49 0.08 0.00 -0.01 0.00 0.00 39.48 39.49 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 3.81 1.01 0.00 4.37 0.87 -1.81 -3.31 113.55 118.49 2kbs h SER 68 Ca 0.00 -0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.34 2kbs h SER 68 Cb 1.90 -0.26 -0.32 0.00 -0.44 0.00 0.00 62.40 63.28 2kbs h SER 68 CO 0.46 0.79 -0.94 -0.46 -0.53 0.00 0.00 176.83 176.15 2kbs n ASN 69 N -4.43 0.90 -4.76 6.23 6.94 -1.26 -4.56 115.26 114.31 2kbs n ASN 69 Ca 0.08 -2.08 -0.40 0.00 -0.02 0.00 0.00 54.58 52.17 2kbs n ASN 69 Cb 0.06 -0.30 -0.03 0.00 -2.36 0.00 0.00 39.78 37.16 2kbs n ASN 69 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2kbs s LEU 70 N -0.14 4.43 0.72 -4.53 2.96 -1.24 -4.97 118.68 115.91 2kbs s LEU 70 Ca 0.29 2.41 -0.15 0.00 -0.22 0.00 0.00 54.13 56.47 2kbs s LEU 70 Cb 0.33 -3.73 0.03 0.00 0.50 0.00 0.00 46.19 43.33 2kbs s LEU 70 CO -0.14 -0.38 1.17 -0.62 -1.32 0.00 0.00 176.35 175.06 2kbs s ASP 71 N -0.83 4.43 0.09 3.68 2.15 -1.26 -4.45 116.67 120.48 2kbs s ASP 71 Ca 0.49 2.23 -0.29 0.00 0.43 0.00 0.00 52.55 55.41 2kbs s ASP 71 Cb -0.34 -2.58 -0.14 0.00 -0.30 0.00 0.00 42.92 39.56 2kbs s ASP 71 CO 0.44 -2.10 1.65 -0.74 -0.17 0.00 0.00 175.17 174.26 2kbs h HIS 72 N -0.26 -0.64 -1.01 -5.34 6.17 -1.94 -1.64 115.15 110.49 2kbs h HIS 72 Ca -0.47 -0.00 0.07 0.00 0.71 0.00 0.00 60.37 60.67 2kbs h HIS 72 Cb 1.28 0.23 -0.07 0.00 2.52 0.00 0.00 27.41 31.37 2kbs h HIS 72 CO 0.50 -0.37 0.65 0.87 0.71 0.00 0.00 177.93 180.29 2kbs h LYS 73 N -0.58 1.14 -0.93 5.26 1.57 -1.99 -1.54 116.57 119.50 2kbs h LYS 73 Ca -0.03 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2kbs h LYS 73 Cb 0.49 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 2kbs h LYS 73 CO 0.01 0.76 0.62 0.93 -0.57 0.00 0.00 179.45 181.19 2kbs h GLU 74 N 1.18 1.20 -0.22 3.15 4.39 -1.84 0.27 114.58 122.70 2kbs h GLU 74 Ca 0.44 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 2kbs h GLU 74 Cb 0.18 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2kbs h GLU 74 CO -0.18 0.79 0.09 0.00 -1.16 0.00 0.00 179.01 178.56 2kbs h ALA 75 N 1.36 0.29 -0.28 3.43 0.00 -0.33 -1.52 119.26 122.20 2kbs h ALA 75 Ca 0.35 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 2kbs h ALA 75 Cb -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2kbs h ALA 75 CO -0.09 -0.12 -0.33 0.28 0.00 0.00 0.00 179.25 178.98 2kbs h VAL 76 N 0.21 1.29 0.80 0.00 2.07 -1.06 -2.21 116.25 117.34 2kbs h VAL 76 Ca 0.07 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 2kbs h VAL 76 Cb 0.17 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2kbs h VAL 76 CO -0.01 0.47 -0.39 -1.13 0.02 0.00 0.00 177.57 176.53 2kbs h ASN 77 N 0.52 -0.91 -0.97 0.57 -0.73 -0.28 0.12 115.58 113.90 2kbs h ASN 77 Ca 0.06 0.02 0.06 0.00 1.87 0.00 0.00 56.30 58.30 2kbs h ASN 77 Cb 0.82 0.24 -0.06 0.00 0.27 0.00 0.00 38.32 39.58 2kbs h ASN 77 CO 0.07 -0.59 0.62 -0.37 -0.37 0.00 0.00 177.43 176.80 2kbs h VAL 78 N -1.20 1.10 -0.11 2.57 -1.51 -1.34 0.40 116.25 116.17 2kbs h VAL 78 Ca -0.11 -0.40 -0.08 0.00 -1.23 0.00 0.00 66.70 64.88 2kbs h VAL 78 Cb 0.84 -0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.83 2kbs h VAL 78 CO 0.18 0.21 -0.30 -0.07 -1.23 0.00 0.00 177.57 176.36 2kbs h LEU 79 N 1.15 0.21 0.11 4.19 -0.00 -1.33 -2.45 115.31 117.20 2kbs h LEU 79 Ca 0.41 -0.07 -0.27 0.00 -0.00 0.00 0.00 57.88 57.95 2kbs h LEU 79 Cb 0.12 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 2kbs h LEU 79 CO -0.16 0.51 -1.22 0.11 -0.00 0.00 0.00 178.44 177.67 2kbs h LYS 80 N 0.18 0.26 0.76 1.13 6.56 0.61 -3.36 116.57 122.72 2kbs h LYS 80 Ca 0.03 -0.45 -0.04 0.00 -1.06 0.00 0.00 60.65 59.13 2kbs h LYS 80 Cb 0.63 0.17 0.01 0.00 -0.57 0.00 0.00 32.23 32.46 2kbs h LYS 80 CO 0.05 1.21 -0.37 1.03 -2.06 0.00 0.00 179.45 179.31 2kbs h SER 81 N 0.07 -0.86 -3.79 0.86 0.87 -0.04 -3.41 113.55 107.25 2kbs h SER 81 Ca -0.13 0.01 -0.64 0.00 -1.23 0.00 0.00 61.79 59.81 2kbs h SER 81 Cb 1.95 0.22 -0.16 0.00 -0.44 0.00 0.00 62.40 63.98 2kbs h SER 81 CO 0.20 -0.55 -0.37 -0.44 -0.53 0.00 0.00 176.83 175.14 2kbs s SER 82 N -4.35 6.14 0.18 6.23 0.01 -0.94 -4.96 113.70 116.00 2kbs s SER 82 Ca -0.17 0.08 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 2kbs s SER 82 Cb 0.02 -2.17 0.06 0.00 0.21 0.00 0.00 66.02 64.14 2kbs s SER 82 CO 0.55 -0.15 1.60 0.08 0.41 0.00 0.00 173.24 175.74 2kbs h ARG 83 N 8.30 1.02 -4.68 12.44 0.11 -1.80 -3.40 114.38 126.38 2kbs h ARG 83 Ca -0.33 -0.38 -0.69 0.00 0.10 0.00 0.00 59.98 58.69 2kbs h ARG 83 Cb 1.17 -0.07 -0.33 0.00 1.11 0.00 0.00 29.97 31.86 2kbs h ARG 83 CO 0.61 1.07 -0.64 -1.54 0.10 0.00 0.00 179.97 179.56 2kbs s SER 84 N -6.66 5.07 -0.02 0.08 1.04 -1.26 -3.72 113.70 108.23 2kbs s SER 84 Ca -0.11 -1.46 -0.06 0.00 0.48 0.00 0.00 55.95 54.79 2kbs s SER 84 Cb 0.13 -1.77 0.01 0.00 0.10 0.00 0.00 66.02 64.48 2kbs s SER 84 CO 0.86 -0.35 0.13 -1.48 0.98 0.00 0.00 173.24 173.39 2kbs s LEU 85 N 1.25 1.54 -0.19 2.42 0.05 0.87 -4.94 118.68 119.68 2kbs s LEU 85 Ca -0.01 -0.04 -0.24 0.00 0.05 0.00 0.00 54.13 53.89 2kbs s LEU 85 Cb -0.21 0.59 -0.01 0.00 -2.05 0.00 0.00 46.19 44.51 2kbs s LEU 85 CO -0.01 -0.25 0.80 -0.89 -0.55 0.00 0.00 176.35 175.44 2kbs s THR 86 N -0.86 4.89 -0.14 5.48 2.01 -1.26 -2.00 115.64 123.77 2kbs s THR 86 Ca -0.09 1.55 0.02 0.00 0.31 0.00 0.00 61.69 63.48 2kbs s THR 86 Cb -0.05 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.35 2kbs s THR 86 CO 0.01 0.02 -0.19 0.27 -0.69 0.00 0.00 174.62 174.04 2kbs s ILE 87 N 2.22 2.35 -0.39 1.82 -4.36 0.15 0.50 121.20 123.50 2kbs s ILE 87 Ca 0.36 -0.89 -0.17 0.00 -0.26 0.00 0.00 60.65 59.69 2kbs s ILE 87 Cb -0.16 -1.96 0.01 0.00 1.25 0.00 0.00 42.46 41.60 2kbs s ILE 87 CO 0.11 0.54 0.47 -0.44 0.24 0.00 0.00 174.94 175.85 2kbs s SER 88 N 0.69 6.24 0.10 4.36 0.01 0.10 -1.23 113.70 123.96 2kbs s SER 88 Ca -0.09 -0.38 0.07 0.00 1.31 0.00 0.00 55.95 56.86 2kbs s SER 88 Cb -0.16 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2kbs s SER 88 CO 0.01 -0.53 -0.10 -0.51 0.41 0.00 0.00 173.24 172.53 2kbs s ILE 89 N 2.26 3.39 -0.20 1.44 -1.16 0.16 0.46 121.20 127.55 2kbs s ILE 89 Ca 0.15 -1.23 0.01 0.00 -0.51 0.00 0.00 60.65 59.08 2kbs s ILE 89 Cb -0.16 -2.58 0.04 0.00 0.61 0.00 0.00 42.46 40.37 2kbs s ILE 89 CO 0.14 0.14 -0.13 -0.69 -2.81 0.00 0.00 174.94 171.58 2kbs s VAL 90 N -1.20 1.88 0.31 4.00 1.01 -0.68 0.13 120.40 125.85 2kbs s VAL 90 Ca 0.21 -1.11 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 2kbs s VAL 90 Cb -0.11 -1.87 -0.12 0.00 0.00 0.00 0.00 36.38 34.27 2kbs s VAL 90 CO 0.13 0.25 1.40 0.00 0.00 0.00 0.00 175.10 176.88 2kbs n ALA 91 N 4.61 1.62 0.00 5.51 0.00 -1.19 -1.60 120.51 129.47 2kbs n ALA 91 Ca -0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2kbs n ALA 91 Cb 0.47 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 1.08 0.00 0.30 0.00 0.00 -1.26 -4.29 120.51 116.34 2kbs n ALA 92 Ca 0.07 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.69 2kbs n ALA 92 Cb 0.35 0.00 1.00 0.00 0.00 0.00 0.00 19.45 20.80 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 1.35 0.00 0.00 0.00 -1.51 -2.86 119.26 116.25 2kbs h ALA 93 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kbs h ALA 93 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kbs h ALA 93 CO 0.00 -0.15 -1.20 0.41 0.00 0.00 0.00 179.25 178.31 2kbs n GLY 94 N -1.23 -0.14 0.36 0.00 0.00 -0.45 -4.67 105.19 99.06 2kbs n GLY 94 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 0.49 -0.83 1.61 3.08 0.14 -0.52 114.38 118.34 2kbs h ARG 95 Ca -0.08 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.01 2kbs h ARG 95 Cb 1.18 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.05 2kbs h ARG 95 CO 0.00 0.32 0.51 1.49 -1.07 0.00 0.00 179.97 181.22 2kbs h GLU 96 N 0.50 0.89 -0.04 0.04 4.57 -1.78 -1.71 114.58 117.05 2kbs h GLU 96 Ca 0.31 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.41 2kbs h GLU 96 Cb 0.54 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2kbs h GLU 96 CO -0.10 0.59 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.17 2kbs h LEU 97 N 0.92 0.14 -1.59 1.64 -0.00 -1.42 -3.17 115.31 111.82 2kbs h LEU 97 Ca 0.37 -0.56 0.25 0.00 -0.00 0.00 0.00 57.88 57.95 2kbs h LEU 97 Cb 0.20 -0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 40.75 2kbs h LEU 97 CO -0.19 0.67 0.66 -0.26 -0.00 0.00 0.00 178.44 179.33 2kbs h PHE 98 N -0.39 0.43 -0.11 1.13 -1.00 -0.95 -3.26 116.94 112.80 2kbs h PHE 98 Ca 0.00 0.01 -0.56 0.00 2.81 0.00 0.00 57.97 60.23 2kbs h PHE 98 Cb 0.65 -0.13 0.04 0.00 3.61 0.00 0.00 35.95 40.11 2kbs h PHE 98 CO 0.12 0.07 1.90 -1.33 -1.61 0.00 0.00 178.31 177.46 2kbs n MET 99 N -4.47 1.38 0.00 1.51 2.81 -0.68 -5.10 117.12 112.57 2kbs n MET 99 Ca 0.22 -1.92 0.13 0.00 -1.81 0.00 0.00 57.70 54.32 2kbs n MET 99 Cb 0.87 -3.09 0.24 0.00 -0.71 0.00 0.00 33.22 30.53 2kbs n MET 99 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89