#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 3.75 -0.04 1.97 8.01 -1.26 -3.18 118.70 127.95 2kbs s GLU 10 Ca 0.00 1.89 -0.02 0.00 0.01 0.00 0.00 54.97 56.85 2kbs s GLU 10 Cb 0.00 -4.11 -0.04 0.00 -4.31 0.00 0.00 34.13 25.67 2kbs s GLU 10 CO 0.00 -1.36 0.11 0.21 0.01 0.00 0.00 175.26 174.22 2kbs s LYS 11 N 4.91 3.23 -0.16 1.61 2.20 0.38 -4.97 119.74 126.93 2kbs s LYS 11 Ca 0.79 -0.36 -0.06 0.00 -0.36 0.00 0.00 55.97 55.98 2kbs s LYS 11 Cb -0.29 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 2kbs s LYS 11 CO 0.32 0.69 0.03 0.15 -0.36 0.00 0.00 175.35 176.18 2kbs s LYS 12 N -1.55 3.79 0.01 4.03 -0.14 -1.26 -0.80 119.74 123.82 2kbs s LYS 12 Ca 0.21 -0.38 0.01 0.00 -1.36 0.00 0.00 55.97 54.45 2kbs s LYS 12 Cb -0.12 -3.10 -0.01 0.00 -1.68 0.00 0.00 37.83 32.92 2kbs s LYS 12 CO 0.12 0.33 -0.04 0.08 -0.76 0.00 0.00 175.35 175.08 2kbs s VAL 13 N 0.18 0.26 -0.08 3.17 1.01 -0.56 -4.93 120.40 119.46 2kbs s VAL 13 Ca 0.03 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2kbs s VAL 13 Cb -0.13 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 35.98 2kbs s VAL 13 CO 0.01 -0.15 -0.09 -0.36 0.00 0.00 0.00 175.10 174.51 2kbs s PHE 14 N -0.64 1.34 -0.21 5.22 0.40 -1.26 -0.66 117.98 122.16 2kbs s PHE 14 Ca -0.05 -0.55 -0.03 0.00 -0.60 0.00 0.00 56.93 55.70 2kbs s PHE 14 Cb -0.05 -1.06 -0.00 0.00 0.51 0.00 0.00 43.02 42.42 2kbs s PHE 14 CO -0.00 -0.36 -0.08 0.42 0.70 0.00 0.00 175.22 175.91 2kbs s ILE 15 N 1.14 3.07 -0.01 0.64 -1.09 -0.90 -4.91 121.20 119.14 2kbs s ILE 15 Ca -0.06 -0.62 -0.00 0.00 -2.23 0.00 0.00 60.65 57.74 2kbs s ILE 15 Cb -0.14 -2.39 0.01 0.00 -1.58 0.00 0.00 42.46 38.36 2kbs s ILE 15 CO -0.02 0.43 0.02 -0.94 -1.23 0.00 0.00 174.94 173.21 2kbs s SER 16 N 1.43 0.02 -0.39 3.58 1.04 -1.22 -1.22 113.70 116.95 2kbs s SER 16 Ca 0.05 0.04 -0.27 0.00 0.48 0.00 0.00 55.95 56.25 2kbs s SER 16 Cb -0.14 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 2kbs s SER 16 CO -0.05 -0.06 2.08 -0.22 0.98 0.00 0.00 173.24 175.97 2kbs s LEU 17 N 0.51 3.42 0.14 2.42 1.98 -1.21 -4.82 118.68 121.12 2kbs s LEU 17 Ca -0.04 1.23 0.01 0.00 -2.89 0.00 0.00 54.13 52.44 2kbs s LEU 17 Cb -0.06 -3.07 -0.08 0.00 0.66 0.00 0.00 46.19 43.64 2kbs s LEU 17 CO -0.01 -2.21 1.32 -0.37 -1.89 0.00 0.00 176.35 173.19 2kbs h VAL 18 N 7.15 1.51 0.00 1.68 -1.51 -1.91 -3.48 116.25 119.69 2kbs h VAL 18 Ca -0.32 -2.76 0.00 0.00 -1.23 0.00 0.00 66.70 62.39 2kbs h VAL 18 Cb 1.21 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 32.95 2kbs h VAL 18 CO 1.08 0.80 0.00 0.61 -1.23 0.00 0.00 177.57 178.83 2kbs n GLY 19 N 1.03 -1.57 2.08 5.19 0.00 -1.26 -5.00 105.19 105.66 2kbs n GLY 19 Ca -0.04 0.63 -0.20 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.06 4.39 -3.81 1.61 7.64 -1.26 -4.99 113.62 117.13 2kbs n SER 20 Ca 0.00 -3.52 -0.25 0.00 1.01 0.00 0.00 58.87 56.11 2kbs n SER 20 Cb 0.00 -0.36 -0.17 0.00 -1.01 0.00 0.00 64.21 62.66 2kbs n SER 20 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kbs s ARG 21 N -3.60 0.89 0.00 1.43 0.52 -1.26 -5.10 118.95 111.83 2kbs s ARG 21 Ca 0.47 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 2kbs s ARG 21 Cb 0.40 -1.28 0.00 0.00 0.52 0.00 0.00 34.95 34.59 2kbs s ARG 21 CO 0.03 -0.33 0.00 0.41 0.02 0.00 0.00 175.30 175.43 2kbs n GLY 22 N 5.07 -1.98 1.09 -3.53 0.00 -1.26 -4.47 105.19 100.11 2kbs n GLY 22 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.63 0.00 0.99 7.94 -1.26 -4.68 117.00 120.62 2kbs n LEU 23 Ca 0.00 0.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 2kbs n LEU 23 Cb 0.00 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 43.77 2kbs n LEU 23 CO 0.00 -0.48 0.00 0.61 -1.11 0.00 0.00 177.39 176.41 2kbs n GLY 24 N 3.19 0.89 3.18 -3.96 0.00 -1.26 0.62 105.19 107.85 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 -3.10 4.36 0.02 0.00 0.15 -1.09 -4.96 113.70 109.09 2kbs s SER 26 Ca 0.28 -1.27 -0.03 0.00 0.70 0.00 0.00 55.95 55.63 2kbs s SER 26 Cb 0.07 -0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 2kbs s SER 26 CO 0.05 -0.74 0.03 0.27 1.20 0.00 0.00 173.24 174.05 2kbs s ILE 27 N -2.71 0.12 0.11 6.45 -4.36 -1.26 0.12 121.20 119.66 2kbs s ILE 27 Ca 0.31 -0.96 -0.08 0.00 -0.26 0.00 0.00 60.65 59.65 2kbs s ILE 27 Cb 0.02 -0.51 -0.01 0.00 1.25 0.00 0.00 42.46 43.22 2kbs s ILE 27 CO 0.17 -0.53 0.20 -0.94 0.24 0.00 0.00 174.94 174.09 2kbs s SER 28 N -1.67 0.12 0.02 4.36 1.04 -0.81 -4.82 113.70 111.93 2kbs s SER 28 Ca -0.12 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.56 2kbs s SER 28 Cb -0.06 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 2kbs s SER 28 CO -0.02 -0.77 0.07 -0.55 0.98 0.00 0.00 173.24 172.95 2kbs s SER 29 N -2.90 5.57 0.23 7.02 0.15 -1.26 -0.93 113.70 121.58 2kbs s SER 29 Ca 0.10 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.83 2kbs s SER 29 Cb 0.05 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 2kbs s SER 29 CO -0.07 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2kbs n GLY 30 N 1.00 1.12 0.00 9.45 0.00 -1.13 -4.97 105.19 110.67 2kbs n GLY 30 Ca -0.12 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.85 0.21 0.07 1.61 -0.04 -1.26 -4.73 135.00 130.00 2kbs n PRO 31 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2kbs n PRO 31 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 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 -0.80 1.08 0.00 0.52 5.03 -1.99 -2.83 117.51 118.51 2kbs h ILE 32 Ca 0.00 -2.64 -0.03 0.00 -0.12 0.00 0.00 64.86 62.07 2kbs h ILE 32 Cb 0.00 2.49 -0.00 0.00 -3.03 0.00 0.00 36.82 36.28 2kbs h ILE 32 CO 0.00 0.61 -0.13 1.56 -0.68 0.00 0.00 178.15 179.52 2kbs h GLN 33 N 0.00 0.00 -1.08 2.37 4.20 -2.06 -3.35 115.11 115.19 2kbs h GLN 33 Ca -0.07 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.34 2kbs h GLN 33 Cb 1.63 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 29.18 2kbs h GLN 33 CO 0.08 0.13 -0.66 1.17 -0.67 0.00 0.00 178.83 178.89 2kbs n LYS 34 N -4.24 0.57 -2.29 1.46 4.81 -1.24 -5.13 118.16 112.09 2kbs n LYS 34 Ca -0.03 -2.30 -0.42 0.00 -0.87 0.00 0.00 58.31 54.69 2kbs n LYS 34 Cb 0.20 -1.47 -0.03 0.00 0.02 0.00 0.00 35.03 33.75 2kbs n LYS 34 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kbs s PRO 35 N 0.42 4.35 -0.09 1.64 0.04 -1.07 -4.25 135.00 136.04 2kbs s PRO 35 Ca 0.32 1.91 -0.33 0.00 0.04 0.00 0.00 61.00 62.94 2kbs s PRO 35 Cb 0.10 -3.40 0.14 0.00 0.04 0.00 0.00 34.50 31.37 2kbs s PRO 35 CO -0.14 -0.42 1.35 0.20 0.04 0.00 0.00 177.00 178.03 2kbs s GLY 36 N 1.34 -0.41 -0.44 0.56 0.00 -1.26 -4.66 107.32 102.45 2kbs s GLY 36 Ca 0.62 1.03 -0.13 0.00 0.00 0.00 0.00 44.72 46.23 2kbs s GLY 36 CO 0.28 0.24 0.32 -0.42 0.00 0.00 0.00 173.10 173.52 2kbs s ILE 37 N -2.22 4.86 0.40 0.90 -1.09 -1.26 -2.82 121.20 119.96 2kbs s ILE 37 Ca 0.14 -1.09 0.06 0.00 -2.23 0.00 0.00 60.65 57.53 2kbs s ILE 37 Cb 0.05 -3.88 0.06 0.00 -1.58 0.00 0.00 42.46 37.12 2kbs s ILE 37 CO -0.05 -0.49 0.54 2.22 -1.23 0.00 0.00 174.94 175.93 2kbs n PHE 38 N 5.09 -2.44 -4.29 3.97 1.16 -0.11 -1.78 117.46 119.06 2kbs n PHE 38 Ca -0.12 -1.46 -0.33 0.00 -1.87 0.00 0.00 57.45 53.68 2kbs n PHE 38 Cb 0.44 -0.37 -0.09 0.00 -1.61 0.00 0.00 39.48 37.85 2kbs n PHE 38 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2kbs s ILE 39 N -1.48 4.22 0.00 1.97 -1.09 -0.91 -1.93 121.20 121.98 2kbs s ILE 39 Ca 0.41 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 2kbs s ILE 39 Cb -0.03 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 2kbs s ILE 39 CO 0.26 0.41 0.00 -1.20 -1.23 0.00 0.00 174.94 173.18 2kbs n SER 40 N 1.49 0.61 -4.31 3.58 7.64 0.12 -2.70 113.62 120.04 2kbs n SER 40 Ca -0.15 -0.89 -0.39 0.00 1.01 0.00 0.00 58.87 58.45 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 -0.62 -2.27 -4.19 1.43 -0.00 -1.26 -3.63 115.22 104.68 2kbs n HIS 41 Ca 0.00 0.49 -0.15 0.00 -0.00 0.00 0.00 57.72 58.05 2kbs n HIS 41 Cb 0.00 -1.76 -0.11 0.00 -0.00 0.00 0.00 29.99 28.12 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 -1.88 1.04 0.04 3.57 1.01 -1.26 -2.68 120.40 120.23 2kbs s VAL 42 Ca 0.60 -1.64 0.07 0.00 0.00 0.00 0.00 61.98 61.02 2kbs s VAL 42 Cb -0.51 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2kbs s VAL 42 CO 0.63 -0.51 -0.20 -0.54 0.00 0.00 0.00 175.10 174.48 2kbs s LYS 43 N -2.70 2.03 0.70 2.72 3.01 0.27 -5.01 119.74 120.76 2kbs s LYS 43 Ca 0.06 -1.00 -0.12 0.00 -1.01 0.00 0.00 55.97 53.90 2kbs s LYS 43 Cb -0.04 -2.14 0.02 0.00 -1.01 0.00 0.00 37.83 34.66 2kbs s LYS 43 CO 0.01 0.54 1.08 -1.25 0.51 0.00 0.00 175.35 176.23 2kbs s PRO 44 N -1.33 2.75 -0.66 -1.68 0.04 -1.26 -4.10 135.00 128.77 2kbs s PRO 44 Ca 0.14 1.13 -0.04 0.00 0.04 0.00 0.00 61.00 62.27 2kbs s PRO 44 Cb -0.10 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2kbs s PRO 44 CO 0.04 -1.26 0.57 0.41 0.04 0.00 0.00 177.00 176.80 2kbs n GLY 45 N -1.36 0.20 2.86 0.56 0.00 -1.26 -5.02 105.19 101.17 2kbs n GLY 45 Ca 0.09 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.91 -0.82 0.04 1.61 7.64 -1.26 -5.03 113.62 114.90 2kbs n SER 46 Ca -0.02 -2.83 -0.13 0.00 1.01 0.00 0.00 58.87 56.90 2kbs n SER 46 Cb 0.54 1.73 -0.08 0.00 -1.01 0.00 0.00 64.21 65.39 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 -0.07 -1.25 -3.43 -0.00 -0.32 0.99 115.31 111.23 2kbs h LEU 47 Ca -0.22 -0.22 0.03 0.00 -0.00 0.00 0.00 57.88 57.47 2kbs h LEU 47 Cb 1.05 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.68 2kbs h LEU 47 CO 0.31 0.18 0.52 0.77 -0.00 0.00 0.00 178.44 180.22 2kbs h SER 48 N -0.33 0.85 -0.21 -0.43 4.64 -0.13 -0.43 113.55 117.51 2kbs h SER 48 Ca -0.01 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.12 2kbs h SER 48 Cb 0.29 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2kbs h SER 48 CO 0.01 0.59 -0.57 0.00 -0.87 0.00 0.00 176.83 176.00 2kbs h ALA 49 N 1.53 0.35 -0.24 5.18 0.00 -1.71 0.71 119.26 125.07 2kbs h ALA 49 Ca 0.30 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2kbs h ALA 49 Cb -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kbs h ALA 49 CO -0.08 0.58 0.10 0.93 0.00 0.00 0.00 179.25 180.77 2kbs h GLU 50 N 0.48 0.37 0.00 0.00 4.39 -0.29 -2.72 114.58 116.80 2kbs h GLU 50 Ca -0.01 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 2kbs h GLU 50 Cb 1.18 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2kbs h GLU 50 CO 0.12 0.41 -0.36 -0.39 -1.16 0.00 0.00 179.01 177.64 2kbs h VAL 51 N 0.24 1.14 0.00 3.13 -1.51 -1.14 -3.47 116.25 114.64 2kbs h VAL 51 Ca 0.08 -1.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.28 2kbs h VAL 51 Cb 0.18 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 2kbs h VAL 51 CO -0.01 0.35 0.00 0.61 -1.23 0.00 0.00 177.57 177.29 2kbs n GLY 52 N -0.35 0.70 3.95 5.19 0.00 -0.67 -5.02 105.19 109.00 2kbs n GLY 52 Ca -0.02 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 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 3.74 0.00 0.99 1.43 0.24 -5.01 118.68 120.07 2kbs s LEU 53 Ca 0.00 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2kbs s LEU 53 Cb 0.00 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.70 2kbs s LEU 53 CO 0.00 -0.52 0.00 -0.62 0.23 0.00 0.00 176.35 175.44 2kbs n GLU 54 N -1.62 0.00 -1.71 1.70 -0.58 -1.26 -4.75 120.64 112.41 2kbs n GLU 54 Ca 0.02 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.33 2kbs n GLU 54 Cb 0.59 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.44 2kbs n GLU 54 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2kbs n ILE 55 N -0.04 0.55 0.00 -3.67 5.41 -1.24 -2.69 119.36 117.68 2kbs n ILE 55 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.61 2kbs n ILE 55 Cb 0.00 -1.82 0.00 0.00 -0.71 0.00 0.00 39.64 37.11 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 2.88 0.93 3.42 7.39 0.00 -1.10 -4.92 105.19 113.79 2kbs n GLY 56 Ca 0.13 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.64 0.28 -0.25 1.61 1.11 -1.10 0.13 116.67 117.81 2kbs s ASP 57 Ca 0.00 1.42 -0.03 0.00 0.18 0.00 0.00 52.55 54.12 2kbs s ASP 57 Cb 0.00 -2.18 0.14 0.00 1.07 0.00 0.00 42.92 41.95 2kbs s ASP 57 CO 0.00 -4.62 0.40 -1.58 1.18 0.00 0.00 175.17 170.55 2kbs s GLN 58 N -4.48 0.37 -0.16 8.23 -0.44 -1.21 -2.13 119.66 119.84 2kbs s GLN 58 Ca 0.69 0.60 -0.29 0.00 -2.50 0.00 0.00 55.36 53.85 2kbs s GLN 58 Cb -0.24 -0.36 -0.03 0.00 -1.64 0.00 0.00 33.01 30.74 2kbs s GLN 58 CO 0.65 -0.63 1.59 0.42 0.50 0.00 0.00 175.29 177.82 2kbs s ILE 59 N 2.58 3.73 -2.39 -2.34 1.01 -0.73 -1.46 121.20 121.60 2kbs s ILE 59 Ca 0.13 0.85 0.22 0.00 0.00 0.00 0.00 60.65 61.85 2kbs s ILE 59 Cb -0.15 -3.66 0.36 0.00 0.01 0.00 0.00 42.46 39.01 2kbs s ILE 59 CO -0.16 -0.19 1.33 1.33 0.00 0.00 0.00 174.94 177.24 2kbs n VAL 60 N 5.97 0.41 -3.62 2.92 0.24 0.29 -4.58 118.33 119.97 2kbs n VAL 60 Ca 0.18 -0.71 -0.06 0.00 -2.04 0.00 0.00 64.34 61.71 2kbs n VAL 60 Cb 0.44 1.06 -0.05 0.00 -1.47 0.00 0.00 33.84 33.83 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 -1.50 0.29 -0.27 7.34 2.56 -0.84 -3.09 118.70 123.19 2kbs s GLU 61 Ca 0.34 0.11 -0.00 0.00 0.00 0.00 0.00 54.97 55.42 2kbs s GLU 61 Cb 0.21 0.14 0.15 0.00 2.00 0.00 0.00 34.13 36.62 2kbs s GLU 61 CO 0.29 -0.08 0.40 0.08 -0.56 0.00 0.00 175.26 175.39 2kbs s VAL 62 N -0.87 -0.62 -1.74 3.70 1.01 -0.40 -0.35 120.40 121.13 2kbs s VAL 62 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 2kbs s VAL 62 Cb -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2kbs s VAL 62 CO -0.05 -0.22 0.09 -3.20 0.00 0.00 0.00 175.10 171.73 2kbs n ASN 63 N 5.36 -5.91 0.00 3.32 2.85 0.53 -1.51 115.26 119.89 2kbs n ASN 63 Ca -0.01 -0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 2kbs n ASN 63 Cb 0.50 -4.89 0.00 0.00 1.24 0.00 0.00 39.78 36.62 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 -1.10 2.96 3.74 8.20 0.00 -1.26 -5.04 105.19 112.69 2kbs n GLY 64 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.93 2.43 -0.31 1.61 1.01 -0.57 -4.95 120.40 116.69 2kbs s VAL 65 Ca 0.00 0.34 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 2kbs s VAL 65 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.17 2kbs s VAL 65 CO 0.00 0.04 0.98 -0.62 0.00 0.00 0.00 175.10 175.50 2kbs s ASP 66 N 0.71 6.85 -0.05 3.32 -1.08 -1.26 -1.27 116.67 123.88 2kbs s ASP 66 Ca 0.65 0.92 0.12 0.00 -0.52 0.00 0.00 52.55 53.72 2kbs s ASP 66 Cb -0.45 -2.50 0.44 0.00 -1.46 0.00 0.00 42.92 38.95 2kbs s ASP 66 CO 0.40 -0.79 1.31 0.49 0.52 0.00 0.00 175.17 177.09 2kbs n PHE 67 N 6.64 0.86 0.05 -5.34 3.01 -1.18 -3.96 117.46 117.53 2kbs n PHE 67 Ca 0.09 -0.36 -0.02 0.00 1.01 0.00 0.00 57.45 58.18 2kbs n PHE 67 Cb 0.47 -0.13 0.23 0.00 -0.01 0.00 0.00 39.48 40.05 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 2.58 0.40 -0.11 4.37 0.87 -1.84 -3.31 113.55 116.50 2kbs h SER 68 Ca 0.00 -0.13 -0.19 0.00 -1.23 0.00 0.00 61.79 60.24 2kbs h SER 68 Cb 0.90 -0.11 -0.38 0.00 -0.44 0.00 0.00 62.40 62.37 2kbs h SER 68 CO 0.11 0.66 -1.03 0.59 -0.53 0.00 0.00 176.83 176.63 2kbs n ASN 69 N -4.12 1.07 -4.81 6.23 3.02 -1.26 -4.68 115.26 110.71 2kbs n ASN 69 Ca -0.01 -2.01 -0.35 0.00 -0.03 0.00 0.00 54.58 52.19 2kbs n ASN 69 Cb 0.40 -0.32 -0.07 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.02 4.19 0.83 3.41 2.96 -1.25 -5.06 118.68 122.74 2kbs s LEU 70 Ca 0.31 1.65 -0.12 0.00 -0.22 0.00 0.00 54.13 55.75 2kbs s LEU 70 Cb 0.36 -4.10 0.09 0.00 0.50 0.00 0.00 46.19 43.04 2kbs s LEU 70 CO -0.13 -0.15 1.13 -0.62 -1.32 0.00 0.00 176.35 175.25 2kbs s ASP 71 N -1.87 4.25 0.02 3.68 -1.08 -1.26 -4.67 116.67 115.74 2kbs s ASP 71 Ca 0.53 1.05 -0.27 0.00 -0.52 0.00 0.00 52.55 53.34 2kbs s ASP 71 Cb -0.14 -1.69 -0.16 0.00 -1.46 0.00 0.00 42.92 39.46 2kbs s ASP 71 CO 0.19 -2.09 1.24 -0.74 0.52 0.00 0.00 175.17 174.29 2kbs h HIS 72 N -1.18 -0.68 -0.95 -5.34 6.17 -1.97 -2.28 115.15 108.92 2kbs h HIS 72 Ca -0.48 -0.02 0.08 0.00 0.71 0.00 0.00 60.37 60.67 2kbs h HIS 72 Cb 1.30 0.23 -0.07 0.00 2.52 0.00 0.00 27.41 31.39 2kbs h HIS 72 CO 0.38 -0.35 0.61 0.87 0.71 0.00 0.00 177.93 180.14 2kbs h LYS 73 N -1.00 1.00 -0.82 5.26 6.56 -1.99 -1.09 116.57 124.48 2kbs h LYS 73 Ca -0.08 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 2kbs h LYS 73 Cb 0.64 -0.23 -0.04 0.00 -0.57 0.00 0.00 32.23 32.03 2kbs h LYS 73 CO 0.12 0.66 0.51 0.93 -2.06 0.00 0.00 179.45 179.62 2kbs h GLU 74 N 1.03 1.10 -0.25 3.15 5.08 -1.93 0.23 114.58 122.99 2kbs h GLU 74 Ca 0.43 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 2kbs h GLU 74 Cb 0.29 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2kbs h GLU 74 CO -0.18 0.75 -0.01 0.00 -1.00 0.00 0.00 179.01 178.57 2kbs h ALA 75 N 1.44 0.34 -0.28 3.43 0.00 -0.61 -2.22 119.26 121.36 2kbs h ALA 75 Ca 0.30 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2kbs h ALA 75 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2kbs h ALA 75 CO -0.06 0.09 -0.15 0.28 0.00 0.00 0.00 179.25 179.41 2kbs h VAL 76 N 0.23 1.30 0.33 0.00 2.07 -1.08 -2.28 116.25 116.81 2kbs h VAL 76 Ca 0.07 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2kbs h VAL 76 Cb 0.43 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 2kbs h VAL 76 CO 0.01 0.40 -0.38 -1.13 0.02 0.00 0.00 177.57 176.49 2kbs h ASN 77 N 0.34 -1.06 -0.52 0.57 -0.73 -0.54 0.45 115.58 114.09 2kbs h ASN 77 Ca 0.06 0.10 0.04 0.00 1.87 0.00 0.00 56.30 58.37 2kbs h ASN 77 Cb 0.68 0.36 -0.04 0.00 0.27 0.00 0.00 38.32 39.59 2kbs h ASN 77 CO 0.04 -0.52 0.28 -0.37 -0.37 0.00 0.00 177.43 176.49 2kbs h VAL 78 N -0.75 0.98 -0.01 2.57 -1.51 -1.46 0.59 116.25 116.66 2kbs h VAL 78 Ca -0.02 -0.18 -0.06 0.00 -1.23 0.00 0.00 66.70 65.21 2kbs h VAL 78 Cb 0.69 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.24 2kbs h VAL 78 CO -0.10 0.10 -0.26 -0.07 -1.23 0.00 0.00 177.57 176.01 2kbs h LEU 79 N 0.54 0.02 0.04 4.19 -0.00 -1.12 -2.38 115.31 116.60 2kbs h LEU 79 Ca 0.22 -0.01 -0.25 0.00 -0.00 0.00 0.00 57.88 57.85 2kbs h LEU 79 Cb 0.11 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 2kbs h LEU 79 CO -0.14 0.28 -1.26 0.11 -0.00 0.00 0.00 178.44 177.43 2kbs h LYS 80 N 0.02 0.08 0.72 1.13 6.56 0.98 -3.37 116.57 122.70 2kbs h LYS 80 Ca 0.00 -0.14 -0.04 0.00 -1.06 0.00 0.00 60.65 59.41 2kbs h LYS 80 Cb 0.47 0.05 0.01 0.00 -0.57 0.00 0.00 32.23 32.19 2kbs h LYS 80 CO 0.03 0.96 -0.35 1.03 -2.06 0.00 0.00 179.45 179.07 2kbs h SER 81 N 0.02 -0.82 -3.11 0.86 0.87 0.52 -3.43 113.55 108.46 2kbs h SER 81 Ca -0.12 0.02 -0.60 0.00 -1.23 0.00 0.00 61.79 59.85 2kbs h SER 81 Cb 1.89 0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 63.98 2kbs h SER 81 CO 0.14 -0.45 -0.27 -0.55 -0.53 0.00 0.00 176.83 175.17 2kbs s SER 82 N -4.44 6.62 -0.06 6.23 0.15 -0.93 -4.99 113.70 116.28 2kbs s SER 82 Ca -0.15 0.73 -0.10 0.00 0.70 0.00 0.00 55.95 57.14 2kbs s SER 82 Cb 0.02 -2.21 -0.30 0.00 -1.71 0.00 0.00 66.02 61.82 2kbs s SER 82 CO 0.46 0.21 0.62 0.03 1.20 0.00 0.00 173.24 175.76 2kbs h ARG 83 N 5.70 0.36 -3.57 5.44 -0.00 -1.84 -3.42 114.38 117.06 2kbs h ARG 83 Ca -0.47 -0.62 -0.73 0.00 -0.50 0.00 0.00 59.98 57.66 2kbs h ARG 83 Cb 1.20 0.23 -0.33 0.00 0.00 0.00 0.00 29.97 31.07 2kbs h ARG 83 CO 0.68 1.28 -0.13 0.45 0.00 0.00 0.00 179.97 182.25 2kbs s SER 84 N -7.22 5.91 0.04 7.04 0.15 -1.25 -3.31 113.70 115.06 2kbs s SER 84 Ca -0.17 -3.08 0.06 0.00 0.70 0.00 0.00 55.95 53.47 2kbs s SER 84 Cb 0.06 -1.98 -0.02 0.00 -1.71 0.00 0.00 66.02 62.37 2kbs s SER 84 CO 0.84 -0.37 -0.18 -1.48 1.20 0.00 0.00 173.24 173.25 2kbs s LEU 85 N -0.40 2.17 -0.24 3.45 0.05 -0.35 -4.96 118.68 118.39 2kbs s LEU 85 Ca 0.21 -0.49 -0.20 0.00 0.05 0.00 0.00 54.13 53.70 2kbs s LEU 85 Cb -0.14 -0.81 -0.02 0.00 -2.05 0.00 0.00 46.19 43.17 2kbs s LEU 85 CO -0.07 0.10 0.59 -0.89 -0.55 0.00 0.00 176.35 175.53 2kbs s THR 86 N -0.82 5.03 -0.15 5.48 2.01 -1.26 -2.13 115.64 123.81 2kbs s THR 86 Ca 0.05 1.06 0.01 0.00 0.31 0.00 0.00 61.69 63.12 2kbs s THR 86 Cb -0.08 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.53 2kbs s THR 86 CO 0.02 0.08 -0.16 0.27 -0.69 0.00 0.00 174.62 174.13 2kbs s ILE 87 N 2.21 2.61 -0.43 1.82 -4.36 0.17 -0.35 121.20 122.87 2kbs s ILE 87 Ca 0.25 -0.80 -0.18 0.00 -0.26 0.00 0.00 60.65 59.67 2kbs s ILE 87 Cb -0.16 -2.09 0.03 0.00 1.25 0.00 0.00 42.46 41.49 2kbs s ILE 87 CO 0.09 0.52 0.49 -0.55 0.24 0.00 0.00 174.94 175.74 2kbs s SER 88 N 0.72 6.22 0.09 4.36 0.15 0.53 -1.50 113.70 124.27 2kbs s SER 88 Ca -0.07 -0.64 0.06 0.00 0.70 0.00 0.00 55.95 56.00 2kbs s SER 88 Cb -0.16 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 2kbs s SER 88 CO 0.01 -0.65 -0.07 -0.51 1.20 0.00 0.00 173.24 173.22 2kbs s ILE 89 N 2.31 3.58 -0.17 6.45 -1.16 0.01 0.11 121.20 132.33 2kbs s ILE 89 Ca 0.14 -1.15 0.01 0.00 -0.51 0.00 0.00 60.65 59.14 2kbs s ILE 89 Cb -0.17 -2.68 0.03 0.00 0.61 0.00 0.00 42.46 40.25 2kbs s ILE 89 CO 0.14 0.13 -0.14 -0.69 -2.81 0.00 0.00 174.94 171.58 2kbs s VAL 90 N -1.23 1.68 0.34 4.00 1.01 -0.53 0.14 120.40 125.81 2kbs s VAL 90 Ca 0.22 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 2kbs s VAL 90 Cb -0.11 -1.61 -0.11 0.00 0.00 0.00 0.00 36.38 34.54 2kbs s VAL 90 CO 0.15 0.39 1.49 0.00 0.00 0.00 0.00 175.10 177.12 2kbs n ALA 91 N 4.72 2.22 0.00 5.51 0.00 -1.19 -1.94 120.51 129.84 2kbs n ALA 91 Ca -0.17 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2kbs n ALA 91 Cb 0.49 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 0.95 0.00 0.30 0.00 0.00 -1.26 -4.83 120.51 115.67 2kbs n ALA 92 Ca 0.04 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.68 2kbs n ALA 92 Cb 0.38 0.00 1.02 0.00 0.00 0.00 0.00 19.45 20.85 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 1.00 0.00 0.00 0.00 -1.57 -2.89 119.26 115.80 2kbs h ALA 93 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2kbs h ALA 93 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2kbs h ALA 93 CO 0.00 0.00 -1.53 0.41 0.00 0.00 0.00 179.25 178.13 2kbs n GLY 94 N -0.95 -0.35 0.35 0.00 0.00 0.03 -4.62 105.19 99.66 2kbs n GLY 94 Ca -0.02 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 0.47 -0.75 1.61 3.08 0.12 -2.13 114.38 116.78 2kbs h ARG 95 Ca -0.21 -0.03 0.17 0.00 0.07 0.00 0.00 59.98 59.98 2kbs h ARG 95 Cb 1.46 -0.11 -0.12 0.00 0.08 0.00 0.00 29.97 31.29 2kbs h ARG 95 CO 0.01 0.31 0.14 1.49 -1.07 0.00 0.00 179.97 180.85 2kbs h GLU 96 N 0.48 0.21 -0.14 0.04 4.57 -1.79 0.34 114.58 118.29 2kbs h GLU 96 Ca 0.28 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.36 2kbs h GLU 96 Cb 0.47 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2kbs h GLU 96 CO -0.08 0.14 -0.26 -0.07 -1.18 0.00 0.00 179.01 177.55 2kbs h LEU 97 N 0.22 0.47 -2.13 1.64 3.38 -1.70 -3.10 115.31 114.09 2kbs h LEU 97 Ca 0.43 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2kbs h LEU 97 Cb 0.76 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2kbs h LEU 97 CO -0.56 0.93 0.10 -0.26 0.09 0.00 0.00 178.44 178.74 2kbs h PHE 98 N 0.03 0.00 -1.85 1.13 -1.00 -0.98 -3.42 116.94 110.85 2kbs h PHE 98 Ca 0.01 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 60.14 2kbs h PHE 98 Cb 0.85 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.42 2kbs h PHE 98 CO 0.10 0.00 1.11 -1.33 -1.61 0.00 0.00 178.31 176.58 2kbs n MET 99 N -4.26 1.87 0.00 1.51 2.81 0.10 -5.09 117.12 114.07 2kbs n MET 99 Ca -0.00 0.67 0.13 0.00 -1.81 0.00 0.00 57.70 56.69 2kbs n MET 99 Cb 0.21 -2.55 0.32 0.00 -0.71 0.00 0.00 33.22 30.50 2kbs n MET 99 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89