#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 4.15 0.25 -1.58 2.02 -1.26 -2.57 118.70 119.72 2kbs s GLU 10 Ca 0.00 2.53 0.11 0.00 0.02 0.00 0.00 54.97 57.63 2kbs s GLU 10 Cb 0.00 -3.56 -0.05 0.00 0.10 0.00 0.00 34.13 30.62 2kbs s GLU 10 CO 0.00 -0.81 -0.17 0.21 0.02 0.00 0.00 175.26 174.51 2kbs s LYS 11 N 2.60 1.76 -0.00 1.61 2.20 0.31 -4.93 119.74 123.29 2kbs s LYS 11 Ca 0.79 -1.63 0.08 0.00 -0.36 0.00 0.00 55.97 54.84 2kbs s LYS 11 Cb -0.45 -1.87 -0.02 0.00 -1.51 0.00 0.00 37.83 33.98 2kbs s LYS 11 CO 0.35 0.36 -0.25 0.15 -0.36 0.00 0.00 175.35 175.60 2kbs s LYS 12 N -3.31 1.92 0.02 4.03 1.02 -1.26 -0.92 119.74 121.23 2kbs s LYS 12 Ca 0.28 -0.93 -0.02 0.00 0.02 0.00 0.00 55.97 55.32 2kbs s LYS 12 Cb -0.06 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 2kbs s LYS 12 CO 0.15 0.52 0.02 0.08 -0.92 0.00 0.00 175.35 175.19 2kbs s VAL 13 N -0.64 0.10 -0.12 3.17 1.01 -0.44 -4.89 120.40 118.59 2kbs s VAL 13 Ca 0.10 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 2kbs s VAL 13 Cb -0.10 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 35.99 2kbs s VAL 13 CO -0.00 -0.47 -0.10 0.12 0.00 0.00 0.00 175.10 174.65 2kbs s PHE 14 N -1.46 1.67 -0.31 5.22 2.19 -1.26 -1.09 117.98 122.95 2kbs s PHE 14 Ca -0.16 -0.86 -0.06 0.00 0.33 0.00 0.00 56.93 56.19 2kbs s PHE 14 Cb -0.09 -1.33 0.03 0.00 -1.31 0.00 0.00 43.02 40.32 2kbs s PHE 14 CO -0.00 -0.55 0.07 0.42 1.83 0.00 0.00 175.22 176.98 2kbs s ILE 15 N 1.61 3.69 -0.01 3.12 -1.09 -0.91 -4.96 121.20 122.65 2kbs s ILE 15 Ca 0.04 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.53 2kbs s ILE 15 Cb -0.13 -2.98 -0.00 0.00 -1.58 0.00 0.00 42.46 37.77 2kbs s ILE 15 CO -0.08 -0.01 -0.07 -0.44 -1.23 0.00 0.00 174.94 173.10 2kbs s SER 16 N 1.42 0.83 -0.10 3.58 0.01 -1.25 -1.43 113.70 116.76 2kbs s SER 16 Ca 0.00 -0.13 -0.30 0.00 1.31 0.00 0.00 55.95 56.84 2kbs s SER 16 Cb -0.18 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.87 2kbs s SER 16 CO 0.01 0.07 1.32 -0.76 0.41 0.00 0.00 173.24 174.29 2kbs s LEU 17 N -0.01 4.24 -0.15 2.44 1.02 -1.25 -4.92 118.68 120.06 2kbs s LEU 17 Ca 0.01 1.86 -0.13 0.00 0.02 0.00 0.00 54.13 55.88 2kbs s LEU 17 Cb -0.04 -3.55 -0.23 0.00 0.02 0.00 0.00 46.19 42.39 2kbs s LEU 17 CO -0.00 -0.74 0.32 0.58 0.02 0.00 0.00 176.35 176.53 2kbs h VAL 18 N 5.30 0.76 0.00 -1.59 2.07 -1.93 -3.48 116.25 117.37 2kbs h VAL 18 Ca -0.32 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 64.92 2kbs h VAL 18 Cb 1.14 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 2kbs h VAL 18 CO 0.94 0.65 0.00 0.61 0.02 0.00 0.00 177.57 179.79 2kbs n GLY 19 N 1.75 -0.21 1.66 2.17 0.00 -1.26 -5.01 105.19 104.29 2kbs n GLY 19 Ca -0.32 0.01 0.01 0.00 0.00 0.00 0.00 46.02 45.72 2kbs n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kbs n SER 20 N -2.15 0.53 -4.15 1.61 7.64 -1.26 -5.08 113.62 110.76 2kbs n SER 20 Ca 0.00 -2.01 -0.33 0.00 1.01 0.00 0.00 58.87 57.54 2kbs n SER 20 Cb 0.00 -0.15 -0.16 0.00 -1.01 0.00 0.00 64.21 62.89 2kbs n SER 20 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kbs s ARG 21 N -0.56 3.02 0.00 1.43 6.06 -1.26 -5.07 118.95 122.57 2kbs s ARG 21 Ca 0.24 -0.83 0.00 0.00 -2.50 0.00 0.00 55.73 52.64 2kbs s ARG 21 Cb 0.30 -2.51 0.00 0.00 0.06 0.00 0.00 34.95 32.80 2kbs s ARG 21 CO -0.11 -0.11 0.09 0.41 -2.50 0.00 0.00 175.30 173.09 2kbs n GLY 22 N 4.33 -1.16 1.67 8.12 0.00 -1.26 -4.46 105.19 112.43 2kbs n GLY 22 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2kbs n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kbs n LEU 23 N -0.14 0.16 0.00 0.99 7.94 -1.26 -4.66 117.00 120.03 2kbs n LEU 23 Ca 0.00 0.24 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 2kbs n LEU 23 Cb 0.00 0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2kbs n LEU 23 CO 0.00 -0.62 0.00 0.61 -1.11 0.00 0.00 177.39 176.27 2kbs n GLY 24 N 2.12 1.79 3.33 -3.96 0.00 -1.26 0.33 105.19 107.53 2kbs n GLY 24 Ca 0.00 0.00 -0.11 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 -2.69 4.39 -0.01 0.00 0.01 -1.12 -4.99 113.70 109.29 2kbs s SER 26 Ca 0.02 -1.25 0.01 0.00 1.31 0.00 0.00 55.95 56.04 2kbs s SER 26 Cb 0.01 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2kbs s SER 26 CO -0.11 -0.73 -0.05 0.27 0.41 0.00 0.00 173.24 173.03 2kbs s ILE 27 N -2.70 0.41 0.30 1.44 -4.36 -1.26 -0.02 121.20 115.01 2kbs s ILE 27 Ca 0.32 -0.20 0.10 0.00 -0.26 0.00 0.00 60.65 60.62 2kbs s ILE 27 Cb 0.02 -0.37 -0.05 0.00 1.25 0.00 0.00 42.46 43.32 2kbs s ILE 27 CO 0.18 0.13 -0.06 -0.94 0.24 0.00 0.00 174.94 174.49 2kbs s SER 28 N 0.04 4.12 -0.01 4.36 1.04 -0.55 -4.79 113.70 117.90 2kbs s SER 28 Ca -0.00 -0.89 -0.00 0.00 0.48 0.00 0.00 55.95 55.54 2kbs s SER 28 Cb -0.04 -0.57 -0.04 0.00 0.10 0.00 0.00 66.02 65.48 2kbs s SER 28 CO -0.00 -0.07 0.06 -0.55 0.98 0.00 0.00 173.24 173.66 2kbs s SER 29 N -3.64 5.55 0.62 7.02 0.15 -1.26 0.15 113.70 122.29 2kbs s SER 29 Ca 0.32 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 57.08 2kbs s SER 29 Cb -0.04 -1.57 0.06 0.00 -1.71 0.00 0.00 66.02 62.77 2kbs s SER 29 CO 0.18 0.28 0.87 -0.83 1.20 0.00 0.00 173.24 174.95 2kbs s GLY 30 N -1.64 1.79 0.00 9.45 0.00 -1.14 -4.96 107.32 110.82 2kbs s GLY 30 Ca 0.21 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.58 2kbs s GLY 30 CO 0.12 -0.97 0.00 -1.55 0.00 0.00 0.00 173.10 170.70 2kbs n PRO 31 N -2.57 -0.20 0.16 2.90 -0.04 -1.26 -4.52 135.00 129.46 2kbs n PRO 31 Ca 0.10 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.59 2kbs n PRO 31 Cb 0.60 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.19 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 -1.08 0.86 0.00 0.52 2.04 -1.99 -1.21 117.51 116.66 2kbs h ILE 32 Ca 0.00 -1.99 -0.07 0.00 1.00 0.00 0.00 64.86 63.80 2kbs h ILE 32 Cb 0.00 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2kbs h ILE 32 CO 0.00 0.45 -0.33 1.56 0.00 0.00 0.00 178.15 179.83 2kbs h GLN 33 N 0.00 0.00 -0.28 2.37 1.08 -2.06 -3.37 115.11 112.86 2kbs h GLN 33 Ca -0.00 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.93 2kbs h GLN 33 Cb 1.23 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.48 2kbs h GLN 33 CO 0.06 0.33 -0.56 1.17 -0.95 0.00 0.00 178.83 178.88 2kbs n LYS 34 N -3.87 0.88 -2.00 1.46 4.81 -1.20 -5.15 118.16 113.09 2kbs n LYS 34 Ca -0.01 -2.02 -0.39 0.00 -0.87 0.00 0.00 58.31 55.02 2kbs n LYS 34 Cb 0.41 -1.30 0.01 0.00 0.02 0.00 0.00 35.03 34.17 2kbs n LYS 34 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2kbs s PRO 35 N 0.20 3.65 0.00 1.64 0.02 -0.46 -4.29 135.00 135.77 2kbs s PRO 35 Ca 0.29 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2kbs s PRO 35 Cb 0.26 -2.52 0.00 0.00 0.02 0.00 0.00 34.50 32.26 2kbs s PRO 35 CO -0.15 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.19 2kbs n GLY 36 N 0.62 1.88 3.61 0.52 0.00 -1.26 -4.84 105.19 105.71 2kbs n GLY 36 Ca 0.07 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 4.54 0.51 -0.61 -1.09 -1.26 -2.87 121.20 118.43 2kbs s ILE 37 Ca 0.00 1.32 0.07 0.00 -2.23 0.00 0.00 60.65 59.81 2kbs s ILE 37 Cb 0.00 -4.37 0.03 0.00 -1.58 0.00 0.00 42.46 36.54 2kbs s ILE 37 CO 0.00 -0.55 0.43 -0.36 -1.23 0.00 0.00 174.94 173.23 2kbs s PHE 38 N 3.58 1.90 -0.10 3.97 0.40 0.12 -1.60 117.98 126.25 2kbs s PHE 38 Ca 0.40 -0.73 -0.02 0.00 -0.60 0.00 0.00 56.93 55.98 2kbs s PHE 38 Cb -0.12 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 2kbs s PHE 38 CO 0.19 -0.44 -0.01 0.42 0.70 0.00 0.00 175.22 176.08 2kbs s ILE 39 N -2.68 4.17 0.00 0.64 -1.09 -0.13 -1.49 121.20 120.62 2kbs s ILE 39 Ca 0.41 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 2kbs s ILE 39 Cb -0.02 -2.76 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 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 2.45 0.63 -4.40 3.58 7.64 0.97 -3.26 113.62 121.23 2kbs n SER 40 Ca -0.18 -0.94 -0.38 0.00 1.01 0.00 0.00 58.87 58.37 2kbs n SER 40 Cb 0.53 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.65 -1.42 -4.32 1.43 -0.00 -1.26 -3.91 115.22 105.10 2kbs n HIS 41 Ca 0.00 0.44 -0.19 0.00 -0.00 0.00 0.00 57.72 57.97 2kbs n HIS 41 Cb 0.00 -1.87 -0.11 0.00 -0.00 0.00 0.00 29.99 28.02 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 -1.82 1.65 0.01 3.57 1.01 -1.26 -2.78 120.40 120.78 2kbs s VAL 42 Ca 0.65 -2.02 0.08 0.00 0.00 0.00 0.00 61.98 60.68 2kbs s VAL 42 Cb -0.46 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2kbs s VAL 42 CO 0.58 -0.49 -0.24 -1.59 0.00 0.00 0.00 175.10 173.37 2kbs s LYS 43 N -3.22 1.80 0.73 2.72 -2.85 -0.26 -5.01 119.74 113.66 2kbs s LYS 43 Ca 0.18 -0.91 -0.11 0.00 -1.00 0.00 0.00 55.97 54.12 2kbs s LYS 43 Cb -0.03 -1.82 0.03 0.00 -2.06 0.00 0.00 37.83 33.95 2kbs s LYS 43 CO 0.06 0.49 1.07 -1.25 0.10 0.00 0.00 175.35 175.82 2kbs s PRO 44 N -0.80 2.64 0.00 1.78 0.04 -1.26 -3.80 135.00 133.60 2kbs s PRO 44 Ca 0.09 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2kbs s PRO 44 Cb -0.09 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2kbs s PRO 44 CO 0.00 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.13 2kbs n GLY 45 N -1.78 1.63 0.00 0.56 0.00 -1.26 -5.01 105.19 99.33 2kbs n GLY 45 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.39 0.07 1.61 7.64 -1.25 -5.02 113.62 117.06 2kbs n SER 46 Ca 0.00 -0.64 -0.21 0.00 1.01 0.00 0.00 58.87 59.03 2kbs n SER 46 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.55 -0.96 -3.43 -0.00 -0.41 -3.06 115.31 108.00 2kbs h LEU 47 Ca 0.00 -0.94 0.09 0.00 -0.00 0.00 0.00 57.88 57.02 2kbs h LEU 47 Cb 0.00 -0.18 -0.07 0.00 -0.00 0.00 0.00 40.66 40.41 2kbs h LEU 47 CO 0.00 1.48 0.60 -1.28 -0.00 0.00 0.00 178.44 179.24 2kbs h SER 48 N -0.25 0.93 -0.31 -0.43 0.87 -0.45 -0.61 113.55 113.30 2kbs h SER 48 Ca -0.18 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.27 2kbs h SER 48 Cb 1.77 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.56 2kbs h SER 48 CO 0.18 0.56 -0.32 0.00 -0.53 0.00 0.00 176.83 176.71 2kbs h ALA 49 N 1.47 0.72 -0.31 6.23 0.00 -1.72 0.46 119.26 126.12 2kbs h ALA 49 Ca 0.44 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2kbs h ALA 49 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kbs h ALA 49 CO -0.21 0.66 -0.15 0.93 0.00 0.00 0.00 179.25 180.48 2kbs h GLU 50 N 0.70 0.55 0.00 0.00 4.39 -1.20 -2.50 114.58 116.53 2kbs h GLU 50 Ca 0.07 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2kbs h GLU 50 Cb 0.87 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2kbs h GLU 50 CO 0.08 0.69 0.00 -0.39 -1.16 0.00 0.00 179.01 178.23 2kbs h VAL 51 N 0.50 0.00 -0.67 3.13 -1.51 -1.03 -3.47 116.25 113.20 2kbs h VAL 51 Ca 0.09 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2kbs h VAL 51 Cb 0.56 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2kbs h VAL 51 CO 0.04 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.99 2kbs n GLY 52 N 1.07 0.80 3.89 5.19 0.00 -0.88 -5.04 105.19 110.22 2kbs n GLY 52 Ca 0.04 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.67 3.92 0.01 0.99 1.43 0.10 -5.03 118.68 119.43 2kbs s LEU 53 Ca 0.00 0.93 -0.28 0.00 -1.03 0.00 0.00 54.13 53.75 2kbs s LEU 53 Cb 0.00 -3.79 0.10 0.00 0.03 0.00 0.00 46.19 42.53 2kbs s LEU 53 CO 0.00 -0.32 0.89 -1.61 0.23 0.00 0.00 176.35 175.54 2kbs s GLU 54 N -3.77 0.86 0.60 1.70 8.01 -1.26 -4.78 118.70 120.06 2kbs s GLU 54 Ca 0.48 -0.34 -0.19 0.00 0.01 0.00 0.00 54.97 54.93 2kbs s GLU 54 Cb -0.10 0.38 -0.05 0.00 -4.31 0.00 0.00 34.13 30.05 2kbs s GLU 54 CO 0.31 -0.38 1.03 -0.89 0.01 0.00 0.00 175.26 175.35 2kbs n ILE 55 N -0.27 3.83 0.00 -1.63 5.41 -1.25 -2.87 119.36 122.58 2kbs n ILE 55 Ca -0.09 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.16 2kbs n ILE 55 Cb 0.62 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 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 1.20 3.24 3.74 7.39 0.00 -1.20 -4.90 105.19 114.66 2kbs n GLY 56 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.40 3.56 -0.21 1.61 1.01 -1.14 0.10 116.67 121.21 2kbs s ASP 57 Ca 0.00 1.29 -0.07 0.00 0.71 0.00 0.00 52.55 54.48 2kbs s ASP 57 Cb 0.00 -1.96 0.10 0.00 1.01 0.00 0.00 42.92 42.06 2kbs s ASP 57 CO 0.00 -2.56 0.43 -1.58 0.21 0.00 0.00 175.17 171.67 2kbs s GLN 58 N -5.06 0.34 -0.15 8.23 0.74 -1.25 -0.95 119.66 121.56 2kbs s GLN 58 Ca 0.63 1.02 -0.29 0.00 0.05 0.00 0.00 55.36 56.77 2kbs s GLN 58 Cb -0.17 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.21 2kbs s GLN 58 CO 0.56 -0.29 1.58 0.42 -0.55 0.00 0.00 175.29 177.02 2kbs s ILE 59 N 2.63 3.73 -0.17 -2.34 1.09 -0.63 -2.18 121.20 123.33 2kbs s ILE 59 Ca -0.00 0.86 0.22 0.00 -1.10 0.00 0.00 60.65 60.63 2kbs s ILE 59 Cb -0.12 -3.65 -0.13 0.00 -1.06 0.00 0.00 42.46 37.49 2kbs s ILE 59 CO -0.13 -0.18 0.83 1.33 -0.10 0.00 0.00 174.94 176.68 2kbs n VAL 60 N 5.93 0.37 -3.45 2.92 0.24 0.10 -4.52 118.33 119.93 2kbs n VAL 60 Ca 0.18 -0.52 -0.14 0.00 -2.04 0.00 0.00 64.34 61.82 2kbs n VAL 60 Cb 0.44 -0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 32.59 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 -3.42 1.22 -0.19 7.34 2.12 -0.87 -3.16 118.70 121.74 2kbs s GLU 61 Ca -0.03 -0.27 -0.05 0.00 0.36 0.00 0.00 54.97 54.97 2kbs s GLU 61 Cb 0.11 0.56 0.09 0.00 0.26 0.00 0.00 34.13 35.16 2kbs s GLU 61 CO 0.84 -0.50 0.36 0.08 -0.54 0.00 0.00 175.26 175.50 2kbs s VAL 62 N -3.05 -0.56 -1.52 3.70 1.01 -0.60 0.35 120.40 119.73 2kbs s VAL 62 Ca -0.02 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 2kbs s VAL 62 Cb -0.01 -0.64 0.04 0.00 0.00 0.00 0.00 36.38 35.77 2kbs s VAL 62 CO -0.07 0.02 0.38 -0.46 0.00 0.00 0.00 175.10 174.97 2kbs n ASN 63 N 5.37 -0.56 -1.10 3.32 0.23 0.22 0.12 115.26 122.86 2kbs n ASN 63 Ca -0.07 -1.09 -0.13 0.00 -0.53 0.00 0.00 54.58 52.76 2kbs n ASN 63 Cb 0.50 -2.53 -0.04 0.00 -2.08 0.00 0.00 39.78 35.62 2kbs n ASN 63 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kbs n GLY 64 N -2.00 1.02 3.46 4.83 0.00 -1.26 -4.99 105.19 106.25 2kbs n GLY 64 Ca -0.23 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.52 3.84 -0.16 1.61 1.01 0.31 -5.06 120.40 119.43 2kbs s VAL 65 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 2kbs s VAL 65 Cb 0.00 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 2kbs s VAL 65 CO 0.00 0.47 1.86 -1.81 0.00 0.00 0.00 175.10 175.62 2kbs s ASP 66 N 0.66 6.13 -0.04 3.32 1.11 -1.26 -1.55 116.67 125.04 2kbs s ASP 66 Ca -0.02 1.92 0.21 0.00 0.18 0.00 0.00 52.55 54.85 2kbs s ASP 66 Cb -0.14 -2.53 -0.31 0.00 1.07 0.00 0.00 42.92 41.01 2kbs s ASP 66 CO 0.02 -1.41 0.46 0.49 1.18 0.00 0.00 175.17 175.91 2kbs n PHE 67 N 9.15 0.07 -0.21 4.23 3.01 -1.19 -4.17 117.46 128.35 2kbs n PHE 67 Ca 0.22 0.02 0.01 0.00 1.01 0.00 0.00 57.45 58.71 2kbs n PHE 67 Cb 0.44 -0.60 0.12 0.00 -0.01 0.00 0.00 39.48 39.43 2kbs n PHE 67 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2kbs h SER 68 N 0.00 0.18 -0.80 4.37 0.02 -1.79 -1.44 113.55 114.09 2kbs h SER 68 Ca -0.08 0.09 -0.50 0.00 -0.84 0.00 0.00 61.79 60.46 2kbs h SER 68 Cb 1.18 0.08 -0.28 0.00 0.14 0.00 0.00 62.40 63.52 2kbs h SER 68 CO 0.00 0.10 0.28 -0.46 -1.14 0.00 0.00 176.83 175.62 2kbs n ASN 69 N -5.03 5.07 -4.77 3.07 0.23 -1.26 -4.43 115.26 108.14 2kbs n ASN 69 Ca 0.09 -3.75 -0.31 0.00 -0.53 0.00 0.00 54.58 50.09 2kbs n ASN 69 Cb 0.30 -0.75 -0.07 0.00 -2.08 0.00 0.00 39.78 37.19 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 -3.54 3.79 0.66 -4.53 2.96 -0.54 -5.11 118.68 112.37 2kbs s LEU 70 Ca 0.56 -0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 54.38 2kbs s LEU 70 Cb 0.46 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.72 2kbs s LEU 70 CO 0.03 0.18 0.99 -1.81 -1.32 0.00 0.00 176.35 174.42 2kbs s ASP 71 N -2.34 5.33 0.08 3.68 1.01 -1.26 -4.51 116.67 118.66 2kbs s ASP 71 Ca 0.29 0.77 -0.29 0.00 0.71 0.00 0.00 52.55 54.03 2kbs s ASP 71 Cb -0.12 -1.62 -0.17 0.00 1.01 0.00 0.00 42.92 42.02 2kbs s ASP 71 CO 0.21 -1.29 1.66 -0.74 0.21 0.00 0.00 175.17 175.22 2kbs h HIS 72 N -0.44 -0.49 -0.98 4.23 2.76 -1.97 -0.93 115.15 117.33 2kbs h HIS 72 Ca -0.45 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 57.75 2kbs h HIS 72 Cb 1.27 0.16 -0.06 0.00 1.55 0.00 0.00 27.41 30.34 2kbs h HIS 72 CO 0.44 -0.30 0.64 1.57 -1.30 0.00 0.00 177.93 178.98 2kbs h LYS 73 N -0.54 1.16 -0.60 5.26 2.10 -1.99 -1.92 116.57 120.04 2kbs h LYS 73 Ca -0.05 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.52 2kbs h LYS 73 Cb 0.41 -0.26 -0.03 0.00 -0.90 0.00 0.00 32.23 31.45 2kbs h LYS 73 CO 0.09 0.77 0.34 0.93 -2.00 0.00 0.00 179.45 179.58 2kbs h GLU 74 N 1.20 0.82 -0.48 0.07 5.08 -1.88 0.14 114.58 119.53 2kbs h GLU 74 Ca 0.40 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.70 2kbs h GLU 74 Cb 0.07 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2kbs h GLU 74 CO -0.14 0.61 0.29 0.00 -1.00 0.00 0.00 179.01 178.77 2kbs h ALA 75 N 1.16 0.62 -0.45 3.43 0.00 -0.41 -1.88 119.26 121.72 2kbs h ALA 75 Ca 0.21 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2kbs h ALA 75 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2kbs h ALA 75 CO -0.04 -0.02 -0.27 0.28 0.00 0.00 0.00 179.25 179.20 2kbs h VAL 76 N 0.57 1.27 0.43 0.00 2.07 -1.11 -2.33 116.25 117.15 2kbs h VAL 76 Ca 0.19 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 2kbs h VAL 76 Cb 0.02 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2kbs h VAL 76 CO -0.09 0.49 -0.46 -1.13 0.02 0.00 0.00 177.57 176.41 2kbs h ASN 77 N 0.83 -1.26 -0.55 0.57 -0.00 -0.31 0.69 115.58 115.56 2kbs h ASN 77 Ca 0.09 0.11 0.02 0.00 -0.00 0.00 0.00 56.30 56.52 2kbs h ASN 77 Cb 0.86 0.42 -0.03 0.00 -0.00 0.00 0.00 38.32 39.57 2kbs h ASN 77 CO 0.08 -0.61 0.34 -0.37 -0.00 0.00 0.00 177.43 176.86 2kbs h VAL 78 N -0.91 1.08 -0.12 2.57 -1.51 -1.41 0.64 116.25 116.59 2kbs h VAL 78 Ca -0.04 -0.23 -0.04 0.00 -1.23 0.00 0.00 66.70 65.16 2kbs h VAL 78 Cb 0.81 0.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 2kbs h VAL 78 CO -0.08 0.12 -0.10 -0.07 -1.23 0.00 0.00 177.57 176.21 2kbs h LEU 79 N 0.68 0.17 0.04 4.19 -0.00 -1.14 -2.25 115.31 116.99 2kbs h LEU 79 Ca 0.21 -0.03 -0.25 0.00 -0.00 0.00 0.00 57.88 57.82 2kbs h LEU 79 Cb -0.01 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.58 2kbs h LEU 79 CO -0.08 0.30 -1.26 0.11 -0.00 0.00 0.00 178.44 177.51 2kbs h LYS 80 N 0.18 0.08 0.49 1.13 6.56 0.14 -3.38 116.57 121.76 2kbs h LYS 80 Ca 0.04 -0.13 -0.02 0.00 -1.06 0.00 0.00 60.65 59.47 2kbs h LYS 80 Cb 0.30 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 2kbs h LYS 80 CO 0.02 0.95 -0.24 1.03 -2.06 0.00 0.00 179.45 179.15 2kbs h SER 81 N 0.02 -0.56 -3.32 0.86 0.87 0.75 -3.43 113.55 108.74 2kbs h SER 81 Ca -0.12 0.02 -0.56 0.00 -1.23 0.00 0.00 61.79 59.90 2kbs h SER 81 Cb 1.88 0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 63.94 2kbs h SER 81 CO 0.14 -0.33 0.02 -0.55 -0.53 0.00 0.00 176.83 175.58 2kbs s SER 82 N -3.56 7.02 -0.12 6.23 0.15 -0.89 -4.99 113.70 117.54 2kbs s SER 82 Ca -0.10 1.22 -0.23 0.00 0.70 0.00 0.00 55.95 57.54 2kbs s SER 82 Cb 0.01 -2.38 -0.20 0.00 -1.71 0.00 0.00 66.02 61.73 2kbs s SER 82 CO 0.29 0.10 0.69 0.03 1.20 0.00 0.00 173.24 175.55 2kbs h ARG 83 N 5.55 -0.02 -3.65 5.44 2.47 -1.84 -3.40 114.38 118.93 2kbs h ARG 83 Ca -0.45 0.00 -0.78 0.00 -1.26 0.00 0.00 59.98 57.49 2kbs h ARG 83 Cb 1.20 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 29.24 2kbs h ARG 83 CO 0.69 0.72 0.17 -1.54 0.56 0.00 0.00 179.97 180.58 2kbs s SER 84 N -6.00 6.76 0.06 7.04 1.04 -1.25 -3.85 113.70 117.51 2kbs s SER 84 Ca -0.15 -3.18 0.08 0.00 0.48 0.00 0.00 55.95 53.18 2kbs s SER 84 Cb -0.02 -2.14 -0.03 0.00 0.10 0.00 0.00 66.02 63.92 2kbs s SER 84 CO 0.55 -0.40 -0.19 -1.48 0.98 0.00 0.00 173.24 172.70 2kbs s LEU 85 N -0.59 2.58 -0.31 2.42 0.05 -0.51 -4.95 118.68 117.38 2kbs s LEU 85 Ca 0.24 -0.48 -0.20 0.00 0.05 0.00 0.00 54.13 53.74 2kbs s LEU 85 Cb -0.11 -1.49 -0.01 0.00 -2.05 0.00 0.00 46.19 42.53 2kbs s LEU 85 CO -0.08 0.24 0.61 -0.89 -0.55 0.00 0.00 176.35 175.67 2kbs s THR 86 N -0.97 4.96 -0.19 5.48 2.01 -1.26 -2.14 115.64 123.53 2kbs s THR 86 Ca 0.15 0.80 -0.01 0.00 0.31 0.00 0.00 61.69 62.94 2kbs s THR 86 Cb -0.10 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.43 2kbs s THR 86 CO 0.06 -0.13 -0.11 0.27 -0.69 0.00 0.00 174.62 174.02 2kbs s ILE 87 N 2.56 2.85 -0.25 1.82 -4.36 -0.25 0.69 121.20 124.26 2kbs s ILE 87 Ca 0.24 -0.68 -0.17 0.00 -0.26 0.00 0.00 60.65 59.78 2kbs s ILE 87 Cb -0.15 -2.25 -0.03 0.00 1.25 0.00 0.00 42.46 41.28 2kbs s ILE 87 CO 0.12 0.48 0.47 -0.55 0.24 0.00 0.00 174.94 175.70 2kbs s SER 88 N 1.23 6.40 0.04 4.36 0.15 0.16 -1.33 113.70 124.70 2kbs s SER 88 Ca 0.03 0.47 0.08 0.00 0.70 0.00 0.00 55.95 57.23 2kbs s SER 88 Cb -0.14 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 2kbs s SER 88 CO -0.05 -0.23 -0.23 -0.51 1.20 0.00 0.00 173.24 173.41 2kbs s ILE 89 N 2.11 1.89 -0.27 6.45 -1.16 -0.10 0.03 121.20 130.15 2kbs s ILE 89 Ca 0.20 -1.27 -0.01 0.00 -0.51 0.00 0.00 60.65 59.06 2kbs s ILE 89 Cb -0.16 -1.62 0.04 0.00 0.61 0.00 0.00 42.46 41.33 2kbs s ILE 89 CO 0.09 0.30 -0.04 -0.69 -2.81 0.00 0.00 174.94 171.80 2kbs s VAL 90 N -0.78 2.89 0.34 4.00 1.01 -0.93 0.11 120.40 127.05 2kbs s VAL 90 Ca 0.09 -1.23 -0.28 0.00 0.00 0.00 0.00 61.98 60.56 2kbs s VAL 90 Cb -0.09 -2.57 -0.12 0.00 0.00 0.00 0.00 36.38 33.59 2kbs s VAL 90 CO 0.02 0.04 1.35 0.00 0.00 0.00 0.00 175.10 176.51 2kbs n ALA 91 N 4.63 1.54 0.00 5.51 0.00 -1.06 -1.67 120.51 129.47 2kbs n ALA 91 Ca -0.15 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2kbs n ALA 91 Cb 0.45 -2.30 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 0.56 0.00 0.32 0.00 0.00 -1.26 -4.84 120.51 115.29 2kbs n ALA 92 Ca 0.05 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.70 2kbs n ALA 92 Cb 0.36 0.00 1.13 0.00 0.00 0.00 0.00 19.45 20.94 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 1.01 0.00 0.00 0.00 -1.48 -2.87 119.26 115.92 2kbs h ALA 93 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2kbs h ALA 93 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kbs h ALA 93 CO 0.00 -0.01 -1.37 0.41 0.00 0.00 0.00 179.25 178.28 2kbs n GLY 94 N -1.11 -0.25 0.35 0.00 0.00 0.67 -4.65 105.19 100.19 2kbs n GLY 94 Ca -0.03 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 0.50 -0.28 1.61 3.08 0.92 -0.96 114.38 119.25 2kbs h ARG 95 Ca -0.15 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 59.93 2kbs h ARG 95 Cb 1.33 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.21 2kbs h ARG 95 CO 0.01 0.33 -0.06 1.05 -1.07 0.00 0.00 179.97 180.23 2kbs h GLU 96 N 0.52 0.01 -0.20 0.04 4.11 -1.79 -1.15 114.58 116.12 2kbs h GLU 96 Ca 0.30 -0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.59 2kbs h GLU 96 Cb 0.49 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kbs h GLU 96 CO -0.09 0.01 -0.41 -0.07 0.07 0.00 0.00 179.01 178.51 2kbs h LEU 97 N 0.01 0.70 -0.88 3.06 3.38 -1.68 -3.21 115.31 116.69 2kbs h LEU 97 Ca 0.13 -0.55 0.18 0.00 0.09 0.00 0.00 57.88 57.73 2kbs h LEU 97 Cb 0.20 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 2kbs h LEU 97 CO -0.28 1.12 0.43 -0.26 0.09 0.00 0.00 178.44 179.55 2kbs h PHE 98 N 0.30 0.74 -3.37 1.13 0.04 -0.81 -3.38 116.94 111.59 2kbs h PHE 98 Ca 0.00 0.04 -0.56 0.00 2.80 0.00 0.00 57.97 60.25 2kbs h PHE 98 Cb 1.01 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.92 2kbs h PHE 98 CO 0.09 0.08 0.14 0.00 -0.60 0.00 0.00 178.31 178.02 2kbs s MET 99 N -5.92 4.46 0.00 1.51 0.23 -0.47 -5.09 119.30 114.02 2kbs s MET 99 Ca -0.12 0.97 0.30 0.00 -1.03 0.00 0.00 55.69 55.82 2kbs s MET 99 Cb 0.24 -3.45 1.81 0.00 -1.53 0.00 0.00 34.83 31.89 2kbs s MET 99 CO 0.78 0.04 2.14 -2.37 -2.03 0.00 0.00 175.02 173.58