#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 2.61 -3.56 1.97 1.02 -1.26 -4.54 120.64 116.88 2kbs n GLU 10 Ca 0.00 0.94 -0.37 0.00 -0.02 0.00 0.00 57.16 57.71 2kbs n GLU 10 Cb 0.00 -2.74 -0.07 0.00 -0.02 0.00 0.00 31.44 28.61 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 0.53 4.06 0.02 3.49 2.20 0.34 -4.95 119.74 125.43 2kbs s LYS 11 Ca 0.72 0.17 -0.09 0.00 -0.36 0.00 0.00 55.97 56.41 2kbs s LYS 11 Cb -0.54 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.39 2kbs s LYS 11 CO 0.39 0.42 0.32 0.21 -0.36 0.00 0.00 175.35 176.33 2kbs s LYS 12 N -0.11 3.67 0.02 4.03 2.20 -1.26 0.25 119.74 128.54 2kbs s LYS 12 Ca 0.19 0.07 -0.14 0.00 -0.36 0.00 0.00 55.97 55.73 2kbs s LYS 12 Cb -0.14 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.13 2kbs s LYS 12 CO 0.07 0.63 0.30 0.08 -0.36 0.00 0.00 175.35 176.06 2kbs s VAL 13 N -1.29 0.08 -0.08 4.02 1.01 -0.11 -4.89 120.40 119.14 2kbs s VAL 13 Ca 0.28 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 2kbs s VAL 13 Cb -0.14 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.44 2kbs s VAL 13 CO 0.16 -0.35 -0.03 0.12 0.00 0.00 0.00 175.10 175.00 2kbs s PHE 14 N -2.14 0.96 -0.08 5.22 2.19 -1.26 -0.26 117.98 122.60 2kbs s PHE 14 Ca -0.08 -0.36 0.01 0.00 0.33 0.00 0.00 56.93 56.83 2kbs s PHE 14 Cb -0.02 -0.92 -0.02 0.00 -1.31 0.00 0.00 43.02 40.74 2kbs s PHE 14 CO -0.01 -0.36 -0.11 0.42 1.83 0.00 0.00 175.22 176.99 2kbs s ILE 15 N 1.69 3.33 0.25 3.12 -1.09 -0.86 -4.97 121.20 122.67 2kbs s ILE 15 Ca 0.02 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 2kbs s ILE 15 Cb -0.13 -2.36 -0.03 0.00 -1.58 0.00 0.00 42.46 38.36 2kbs s ILE 15 CO -0.05 0.57 0.23 -0.94 -1.23 0.00 0.00 174.94 173.51 2kbs s SER 16 N -0.39 0.64 -0.09 3.58 1.04 -1.26 -1.82 113.70 115.40 2kbs s SER 16 Ca 0.05 -1.47 -0.11 0.00 0.48 0.00 0.00 55.95 54.90 2kbs s SER 16 Cb -0.12 0.47 -0.09 0.00 0.10 0.00 0.00 66.02 66.38 2kbs s SER 16 CO 0.02 -0.96 0.38 0.25 0.98 0.00 0.00 173.24 173.91 2kbs h LEU 17 N 2.41 -0.10 -1.15 2.42 7.12 -1.80 -3.45 115.31 120.77 2kbs h LEU 17 Ca -0.31 -0.24 -0.59 0.00 0.13 0.00 0.00 57.88 56.87 2kbs h LEU 17 Cb 1.24 0.03 -0.29 0.00 -0.53 0.00 0.00 40.66 41.11 2kbs h LEU 17 CO 0.46 0.49 -0.87 0.55 -0.13 0.00 0.00 178.44 178.94 2kbs n VAL 18 N -4.82 -0.57 0.00 1.05 3.14 -1.26 -4.15 118.33 111.72 2kbs n VAL 18 Ca -0.04 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 2kbs n VAL 18 Cb 0.16 -1.15 0.00 0.00 -1.06 0.00 0.00 33.84 31.79 2kbs n VAL 18 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kbs n GLY 19 N -1.25 0.53 0.15 7.55 0.00 -1.26 -4.90 105.19 106.01 2kbs n GLY 19 Ca 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.08 -4.73 1.61 7.64 -1.26 -5.05 113.62 114.92 2kbs n SER 20 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2kbs n SER 20 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2kbs n SER 20 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2kbs n ARG 21 N -2.47 2.37 -0.04 1.43 0.63 -1.26 -4.96 116.66 112.36 2kbs n ARG 21 Ca 0.00 0.83 -0.01 0.00 -0.92 0.00 0.00 57.85 57.75 2kbs n ARG 21 Cb 0.45 -2.50 -0.00 0.00 0.45 0.00 0.00 32.46 30.86 2kbs n ARG 21 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2kbs h GLY 22 N 3.15 0.00 0.00 5.14 0.00 -1.87 -3.41 103.07 106.08 2kbs h GLY 22 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2kbs h GLY 22 CO 0.67 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 177.11 2kbs n LEU 23 N -4.07 -1.13 0.00 3.11 7.94 -1.26 -4.55 117.00 117.03 2kbs n LEU 23 Ca -0.01 0.49 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 2kbs n LEU 23 Cb 0.05 1.22 0.00 0.00 0.53 0.00 0.00 43.42 45.22 2kbs n LEU 23 CO 0.02 -0.46 0.00 0.61 -1.11 0.00 0.00 177.39 176.45 2kbs n GLY 24 N 0.59 1.58 3.24 -3.96 0.00 -1.26 0.50 105.19 105.89 2kbs n GLY 24 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2kbs n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbs s SER 26 N -2.70 4.39 0.03 0.00 0.01 -1.07 -5.00 113.70 109.37 2kbs s SER 26 Ca 0.02 -1.24 0.02 0.00 1.31 0.00 0.00 55.95 56.06 2kbs s SER 26 Cb 0.03 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 2kbs s SER 26 CO -0.10 -0.73 -0.06 0.27 0.41 0.00 0.00 173.24 173.03 2kbs s ILE 27 N -2.70 0.42 0.21 1.44 -4.36 -1.26 -0.07 121.20 114.89 2kbs s ILE 27 Ca 0.32 -0.98 0.06 0.00 -0.26 0.00 0.00 60.65 59.79 2kbs s ILE 27 Cb 0.02 -0.50 -0.05 0.00 1.25 0.00 0.00 42.46 43.18 2kbs s ILE 27 CO 0.18 -0.38 -0.09 -0.94 0.24 0.00 0.00 174.94 173.96 2kbs s SER 28 N -1.45 2.27 -0.10 4.36 1.04 -0.69 -4.76 113.70 114.36 2kbs s SER 28 Ca -0.11 -1.10 -0.04 0.00 0.48 0.00 0.00 55.95 55.19 2kbs s SER 28 Cb -0.09 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 2kbs s SER 28 CO 0.00 -0.32 0.05 -0.44 0.98 0.00 0.00 173.24 173.51 2kbs s SER 29 N -3.31 5.60 0.82 7.02 0.01 -1.26 0.03 113.70 122.61 2kbs s SER 29 Ca 0.24 0.24 -0.05 0.00 1.31 0.00 0.00 55.95 57.69 2kbs s SER 29 Cb 0.02 -1.68 0.17 0.00 0.21 0.00 0.00 66.02 64.75 2kbs s SER 29 CO 0.07 0.38 1.12 -0.83 0.41 0.00 0.00 173.24 174.39 2kbs s GLY 30 N -0.86 1.77 0.00 3.44 0.00 -1.21 -4.97 107.32 105.49 2kbs s GLY 30 Ca 0.13 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.15 2kbs s GLY 30 CO 0.03 -1.02 0.00 -1.55 0.00 0.00 0.00 173.10 170.56 2kbs n PRO 31 N -3.18 0.88 0.04 2.90 -0.04 -1.26 -4.76 135.00 129.58 2kbs n PRO 31 Ca 0.17 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.58 2kbs n PRO 31 Cb 0.60 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.56 0.99 -0.20 0.52 2.04 -2.00 -3.16 117.51 115.14 2kbs h ILE 32 Ca 0.00 -2.65 -0.05 0.00 1.00 0.00 0.00 64.86 63.16 2kbs h ILE 32 Cb 0.00 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2kbs h ILE 32 CO 0.00 0.57 -0.11 1.56 0.00 0.00 0.00 178.15 180.16 2kbs h GLN 33 N 0.00 0.32 -2.05 2.37 7.50 -2.06 -3.35 115.11 117.85 2kbs h GLN 33 Ca -0.14 -0.08 -0.53 0.00 0.50 0.00 0.00 58.65 58.40 2kbs h GLN 33 Cb 1.75 -0.04 -0.36 0.00 0.05 0.00 0.00 27.48 28.89 2kbs h GLN 33 CO 0.08 0.45 -0.96 1.63 -1.50 0.00 0.00 178.83 178.53 2kbs n LYS 34 N -4.26 0.39 -2.39 1.46 5.02 -1.25 -5.12 118.16 112.02 2kbs n LYS 34 Ca -0.00 -3.04 -0.42 0.00 -2.02 0.00 0.00 58.31 52.83 2kbs n LYS 34 Cb 0.28 -1.51 -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 -0.52 0.00 0.00 177.40 175.63 2kbs s PRO 35 N -0.23 4.35 0.00 1.97 0.04 -1.19 -4.19 135.00 135.75 2kbs s PRO 35 Ca 0.33 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2kbs s PRO 35 Cb 0.08 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2kbs s PRO 35 CO -0.16 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2kbs n GLY 36 N 3.40 0.02 3.60 0.56 0.00 -1.26 -4.38 105.19 107.13 2kbs n GLY 36 Ca 0.11 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 4.79 0.47 -0.61 -1.09 -1.24 -3.29 121.20 118.22 2kbs s ILE 37 Ca 0.00 1.00 0.08 0.00 -2.23 0.00 0.00 60.65 59.51 2kbs s ILE 37 Cb 0.00 -4.15 0.03 0.00 -1.58 0.00 0.00 42.46 36.76 2kbs s ILE 37 CO 0.00 -0.31 0.62 -0.36 -1.23 0.00 0.00 174.94 173.65 2kbs s PHE 38 N 2.97 2.39 -0.12 3.97 0.40 0.10 -1.05 117.98 126.64 2kbs s PHE 38 Ca 0.31 -0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 56.10 2kbs s PHE 38 Cb -0.14 -2.31 -0.03 0.00 0.51 0.00 0.00 43.02 41.05 2kbs s PHE 38 CO 0.14 -0.61 -0.01 0.42 0.70 0.00 0.00 175.22 175.86 2kbs s ILE 39 N -2.45 4.14 0.00 0.64 -1.09 0.12 -1.70 121.20 120.85 2kbs s ILE 39 Ca 0.56 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 2kbs s ILE 39 Cb -0.08 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.02 2kbs s ILE 39 CO 0.34 0.54 0.00 -1.20 -1.23 0.00 0.00 174.94 173.39 2kbs n SER 40 N 2.86 0.62 -4.50 3.58 7.64 0.90 -3.10 113.62 121.62 2kbs n SER 40 Ca -0.18 -0.93 -0.45 0.00 1.01 0.00 0.00 58.87 58.33 2kbs n SER 40 Cb 0.53 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.64 0.33 -4.23 1.43 -0.00 -1.26 -4.01 115.22 106.84 2kbs n HIS 41 Ca 0.00 0.75 -0.25 0.00 -0.00 0.00 0.00 57.72 58.23 2kbs n HIS 41 Cb 0.00 -2.10 -0.07 0.00 -0.00 0.00 0.00 29.99 27.82 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 -1.15 3.69 -0.32 3.57 1.01 -1.26 -2.58 120.40 123.36 2kbs s VAL 42 Ca 0.61 -1.60 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 2kbs s VAL 42 Cb -0.74 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 32.75 2kbs s VAL 42 CO 0.58 -0.23 0.10 -0.54 0.00 0.00 0.00 175.10 175.02 2kbs s LYS 43 N -3.30 2.89 0.78 2.72 1.02 0.26 -4.98 119.74 119.14 2kbs s LYS 43 Ca 0.29 -1.00 -0.15 0.00 0.02 0.00 0.00 55.97 55.13 2kbs s LYS 43 Cb -0.08 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.78 2kbs s LYS 43 CO 0.20 -0.55 0.56 -2.30 -0.92 0.00 0.00 175.35 172.33 2kbs n PRO 44 N 4.86 0.17 -2.20 -1.68 -0.02 -1.26 -3.01 135.00 131.86 2kbs n PRO 44 Ca -0.13 0.10 -0.14 0.00 -2.02 0.00 0.00 63.50 61.31 2kbs n PRO 44 Cb 0.46 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.53 -0.09 0.27 -1.23 0.00 -1.26 -5.00 105.19 99.40 2kbs n GLY 45 Ca 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 2kbs n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kbs n SER 46 N -0.57 1.61 -0.00 1.61 3.41 -1.16 -5.05 113.62 113.47 2kbs n SER 46 Ca -0.16 -1.17 -0.17 0.00 -0.26 0.00 0.00 58.87 57.11 2kbs n SER 46 Cb 0.61 0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 64.50 2kbs n SER 46 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2kbs h LEU 47 N 0.00 0.42 -1.28 1.04 3.38 -0.65 -2.24 115.31 115.98 2kbs h LEU 47 Ca -0.03 -0.79 0.17 0.00 0.09 0.00 0.00 57.88 57.32 2kbs h LEU 47 Cb 0.09 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 2kbs h LEU 47 CO 0.05 1.16 0.59 0.77 0.09 0.00 0.00 178.44 181.10 2kbs h SER 48 N -0.27 0.62 0.19 -0.43 4.64 -0.22 0.45 113.55 118.52 2kbs h SER 48 Ca -0.07 0.05 -0.26 0.00 -0.47 0.00 0.00 61.79 61.05 2kbs h SER 48 Cb 1.25 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2kbs h SER 48 CO 0.10 0.28 -1.04 0.00 -0.87 0.00 0.00 176.83 175.29 2kbs h ALA 49 N 1.61 0.20 -0.17 5.18 0.00 -1.80 -0.12 119.26 124.15 2kbs h ALA 49 Ca 0.48 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2kbs h ALA 49 Cb 0.88 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kbs h ALA 49 CO -0.24 0.75 0.12 0.93 0.00 0.00 0.00 179.25 180.81 2kbs h GLU 50 N 0.30 0.15 0.01 0.00 4.39 -0.33 -1.83 114.58 117.27 2kbs h GLU 50 Ca -0.12 -0.01 -0.27 0.00 0.34 0.00 0.00 59.36 59.30 2kbs h GLU 50 Cb 1.69 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 30.27 2kbs h GLU 50 CO 0.19 0.10 -1.48 -0.39 -1.16 0.00 0.00 179.01 176.28 2kbs h VAL 51 N 0.16 1.14 0.00 3.13 -1.51 -1.18 -3.49 116.25 114.50 2kbs h VAL 51 Ca 0.07 -2.93 0.00 0.00 -1.23 0.00 0.00 66.70 62.61 2kbs h VAL 51 Cb 0.09 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 2kbs h VAL 51 CO -0.01 0.67 0.00 0.61 -1.23 0.00 0.00 177.57 177.61 2kbs n GLY 52 N 1.51 0.72 3.85 5.19 0.00 -0.69 -5.06 105.19 110.70 2kbs n GLY 52 Ca -0.12 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 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 3.44 -0.25 0.99 1.43 -0.12 -5.01 118.68 119.17 2kbs s LEU 53 Ca 0.00 -0.67 -0.37 0.00 -1.03 0.00 0.00 54.13 52.05 2kbs s LEU 53 Cb 0.00 -2.06 0.16 0.00 0.03 0.00 0.00 46.19 44.31 2kbs s LEU 53 CO 0.00 -0.51 1.40 -0.70 0.23 0.00 0.00 176.35 176.77 2kbs s GLU 54 N -4.05 0.02 0.43 1.70 2.12 -1.26 -4.79 118.70 112.86 2kbs s GLU 54 Ca 0.44 -0.01 -0.25 0.00 0.36 0.00 0.00 54.97 55.52 2kbs s GLU 54 Cb -0.04 0.01 -0.09 0.00 0.26 0.00 0.00 34.13 34.27 2kbs s GLU 54 CO 0.27 -0.01 1.27 -0.89 -0.54 0.00 0.00 175.26 175.36 2kbs n ILE 55 N -0.12 2.63 0.00 -3.70 5.41 -1.26 -2.74 119.36 119.59 2kbs n ILE 55 Ca 0.02 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.27 2kbs n ILE 55 Cb 0.58 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.95 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 0.82 2.78 3.76 7.39 0.00 -1.18 -4.92 105.19 113.84 2kbs n GLY 56 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.72 4.12 -0.19 1.61 1.01 -1.11 0.11 116.67 121.51 2kbs s ASP 57 Ca 0.00 1.52 -0.04 0.00 0.71 0.00 0.00 52.55 54.74 2kbs s ASP 57 Cb 0.00 -2.24 0.09 0.00 1.01 0.00 0.00 42.92 41.79 2kbs s ASP 57 CO 0.00 -2.23 0.31 -1.58 0.21 0.00 0.00 175.17 171.88 2kbs s GLN 58 N -5.00 0.24 -0.15 8.23 0.74 -1.25 0.13 119.66 122.60 2kbs s GLN 58 Ca 0.62 0.62 -0.29 0.00 0.05 0.00 0.00 55.36 56.36 2kbs s GLN 58 Cb -0.16 -0.35 -0.04 0.00 1.10 0.00 0.00 33.01 33.56 2kbs s GLN 58 CO 0.56 -0.46 1.59 0.42 -0.55 0.00 0.00 175.29 176.85 2kbs s ILE 59 N 2.47 3.73 -1.97 -2.34 1.01 -0.22 -2.43 121.20 121.43 2kbs s ILE 59 Ca 0.05 0.85 0.23 0.00 0.00 0.00 0.00 60.65 61.78 2kbs s ILE 59 Cb -0.14 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.73 2kbs s ILE 59 CO -0.12 -0.19 1.19 1.33 0.00 0.00 0.00 174.94 177.15 2kbs n VAL 60 N 5.96 0.00 -3.55 2.92 0.24 0.21 -4.27 118.33 119.83 2kbs n VAL 60 Ca 0.18 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 62.12 2kbs n VAL 60 Cb 0.44 1.07 -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 -2.49 0.76 -0.30 7.34 2.12 -0.94 -2.39 118.70 122.81 2kbs s GLU 61 Ca 0.20 0.15 0.01 0.00 0.36 0.00 0.00 54.97 55.68 2kbs s GLU 61 Cb 0.18 0.36 0.15 0.00 0.26 0.00 0.00 34.13 35.08 2kbs s GLU 61 CO 0.56 -0.25 0.36 0.08 -0.54 0.00 0.00 175.26 175.47 2kbs s VAL 62 N -1.29 -0.50 -1.35 3.70 1.01 -0.35 -0.32 120.40 121.31 2kbs s VAL 62 Ca -0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2kbs s VAL 62 Cb -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.44 2kbs s VAL 62 CO 0.03 -0.40 0.55 -3.20 0.00 0.00 0.00 175.10 172.09 2kbs n ASN 63 N 5.21 -5.57 0.00 3.32 2.85 0.26 -1.97 115.26 119.36 2kbs n ASN 63 Ca 0.01 -0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.22 2kbs n ASN 63 Cb 0.48 -4.39 0.00 0.00 1.24 0.00 0.00 39.78 37.10 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 -1.45 3.01 3.69 8.20 0.00 -1.26 -5.00 105.19 112.38 2kbs n GLY 64 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.50 3.29 -0.37 1.61 1.01 -0.83 -4.93 120.40 117.67 2kbs s VAL 65 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 2kbs s VAL 65 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 2kbs s VAL 65 CO 0.00 -0.01 1.63 -1.81 0.00 0.00 0.00 175.10 174.91 2kbs s ASP 66 N 2.39 6.08 0.00 3.32 1.11 -1.26 -1.20 116.67 127.10 2kbs s ASP 66 Ca 0.71 1.07 0.26 0.00 0.18 0.00 0.00 52.55 54.78 2kbs s ASP 66 Cb -0.37 -2.53 0.69 0.00 1.07 0.00 0.00 42.92 41.78 2kbs s ASP 66 CO 0.30 -1.60 1.54 0.49 1.18 0.00 0.00 175.17 177.09 2kbs n PHE 67 N 9.68 0.00 -0.00 4.23 3.01 -1.01 -3.64 117.46 129.73 2kbs n PHE 67 Ca 0.20 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.80 2kbs n PHE 67 Cb 0.47 -0.31 0.58 0.00 -0.01 0.00 0.00 39.48 40.21 2kbs n PHE 67 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2kbs h SER 68 N 0.00 0.19 -0.11 4.37 4.64 -1.77 -2.71 113.55 118.16 2kbs h SER 68 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.16 2kbs h SER 68 Cb 0.50 -0.04 -0.29 0.00 -0.31 0.00 0.00 62.40 62.27 2kbs h SER 68 CO 0.00 0.12 -0.88 0.59 -0.87 0.00 0.00 176.83 175.78 2kbs n ASN 69 N -4.45 1.57 -4.87 4.97 3.02 -1.25 -4.16 115.26 110.08 2kbs n ASN 69 Ca 0.08 -2.67 -0.33 0.00 -0.03 0.00 0.00 54.58 51.63 2kbs n ASN 69 Cb 0.40 -0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.69 4.27 0.79 3.41 2.96 -1.02 -5.04 118.68 122.35 2kbs s LEU 70 Ca 0.35 0.89 -0.11 0.00 -0.22 0.00 0.00 54.13 55.04 2kbs s LEU 70 Cb 0.38 -3.37 0.06 0.00 0.50 0.00 0.00 46.19 43.76 2kbs s LEU 70 CO -0.11 0.04 1.08 -1.81 -1.32 0.00 0.00 176.35 174.24 2kbs s ASP 71 N -2.07 4.50 0.04 3.68 1.11 -1.26 -4.56 116.67 118.11 2kbs s ASP 71 Ca 0.41 1.58 -0.30 0.00 0.18 0.00 0.00 52.55 54.42 2kbs s ASP 71 Cb -0.13 -2.33 -0.17 0.00 1.07 0.00 0.00 42.92 41.35 2kbs s ASP 71 CO 0.20 -2.00 1.38 -0.74 1.18 0.00 0.00 175.17 175.19 2kbs h HIS 72 N -1.11 -0.82 -0.73 4.23 -0.00 -1.98 -1.48 115.15 113.26 2kbs h HIS 72 Ca -0.46 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 59.97 2kbs h HIS 72 Cb 1.25 0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 28.88 2kbs h HIS 72 CO 0.53 -0.47 0.48 1.57 -0.00 0.00 0.00 177.93 180.04 2kbs h LYS 73 N -1.04 0.70 -0.76 5.26 2.10 -1.99 -0.99 116.57 119.85 2kbs h LYS 73 Ca -0.09 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.47 2kbs h LYS 73 Cb 0.71 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 31.85 2kbs h LYS 73 CO 0.15 0.46 0.28 0.93 -2.00 0.00 0.00 179.45 179.27 2kbs h GLU 74 N 0.72 1.14 -0.27 0.07 3.07 -1.91 0.11 114.58 117.52 2kbs h GLU 74 Ca 0.32 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.95 2kbs h GLU 74 Cb 0.33 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2kbs h GLU 74 CO -0.11 0.94 0.10 0.00 -1.40 0.00 0.00 179.01 178.54 2kbs h ALA 75 N 1.19 0.35 -0.26 3.43 0.00 -0.10 -1.57 119.26 122.29 2kbs h ALA 75 Ca 0.25 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2kbs h ALA 75 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kbs h ALA 75 CO -0.02 -0.05 -0.31 0.28 0.00 0.00 0.00 179.25 179.15 2kbs h VAL 76 N 0.28 1.28 0.78 0.00 2.07 -1.21 -2.30 116.25 117.15 2kbs h VAL 76 Ca 0.09 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 2kbs h VAL 76 Cb 0.19 1.42 0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2kbs h VAL 76 CO -0.01 0.45 -0.38 -1.13 0.02 0.00 0.00 177.57 176.52 2kbs h ASN 77 N 0.47 -0.89 -0.90 0.57 -1.24 -0.55 0.11 115.58 113.15 2kbs h ASN 77 Ca 0.06 0.02 0.06 0.00 0.71 0.00 0.00 56.30 57.14 2kbs h ASN 77 Cb 0.77 0.23 -0.06 0.00 0.73 0.00 0.00 38.32 39.99 2kbs h ASN 77 CO 0.06 -0.57 0.57 -0.37 -1.29 0.00 0.00 177.43 175.83 2kbs h VAL 78 N -1.18 1.06 -0.12 2.57 -1.51 -1.34 0.60 116.25 116.34 2kbs h VAL 78 Ca -0.11 -0.36 -0.07 0.00 -1.23 0.00 0.00 66.70 64.93 2kbs h VAL 78 Cb 0.82 -0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 29.90 2kbs h VAL 78 CO 0.18 0.19 -0.26 -0.07 -1.23 0.00 0.00 177.57 176.37 2kbs h LEU 79 N 1.04 0.21 0.03 4.19 -0.00 -1.35 -1.33 115.31 118.10 2kbs h LEU 79 Ca 0.39 -0.06 -0.24 0.00 -0.00 0.00 0.00 57.88 57.96 2kbs h LEU 79 Cb 0.16 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.73 2kbs h LEU 79 CO -0.17 0.48 -1.23 0.11 -0.00 0.00 0.00 178.44 177.63 2kbs h LYS 80 N 0.19 0.06 0.02 1.13 6.56 0.66 -3.40 116.57 121.80 2kbs h LYS 80 Ca 0.03 -0.10 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 2kbs h LYS 80 Cb 0.57 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 2kbs h LYS 80 CO 0.04 0.93 -0.01 1.03 -2.06 0.00 0.00 179.45 179.38 2kbs h SER 81 N 0.02 -0.03 -2.59 0.86 0.87 0.39 -3.44 113.55 109.63 2kbs h SER 81 Ca -0.11 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.91 2kbs h SER 81 Cb 1.87 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.83 2kbs h SER 81 CO 0.13 0.01 1.12 -0.94 -0.53 0.00 0.00 176.83 176.63 2kbs s SER 82 N -2.97 6.56 0.02 6.23 1.04 -0.52 -4.91 113.70 119.15 2kbs s SER 82 Ca -0.00 2.16 -0.27 0.00 0.48 0.00 0.00 55.95 58.32 2kbs s SER 82 Cb 0.00 -2.53 -0.16 0.00 0.10 0.00 0.00 66.02 63.43 2kbs s SER 82 CO 0.01 -1.03 1.27 -0.09 0.98 0.00 0.00 173.24 174.39 2kbs h ARG 83 N 10.01 -0.69 -4.53 4.02 2.43 -1.85 -3.40 114.38 120.38 2kbs h ARG 83 Ca -0.39 0.05 -0.71 0.00 -0.81 0.00 0.00 59.98 58.12 2kbs h ARG 83 Cb 1.18 0.16 -0.29 0.00 -0.42 0.00 0.00 29.97 30.59 2kbs h ARG 83 CO 0.96 -0.38 -0.53 0.45 -1.51 0.00 0.00 179.97 178.96 2kbs s SER 84 N -4.71 5.45 0.03 -3.80 0.15 -1.26 -3.93 113.70 105.62 2kbs s SER 84 Ca -0.15 -1.49 0.04 0.00 0.70 0.00 0.00 55.95 55.05 2kbs s SER 84 Cb 0.02 -1.92 -0.02 0.00 -1.71 0.00 0.00 66.02 62.40 2kbs s SER 84 CO 0.51 -0.47 -0.12 -1.48 1.20 0.00 0.00 173.24 172.88 2kbs s LEU 85 N 1.36 2.14 -0.32 3.45 0.05 -0.76 -5.02 118.68 119.59 2kbs s LEU 85 Ca 0.02 -0.39 -0.18 0.00 0.05 0.00 0.00 54.13 53.64 2kbs s LEU 85 Cb -0.22 -0.53 -0.01 0.00 -2.05 0.00 0.00 46.19 43.37 2kbs s LEU 85 CO 0.01 0.04 0.51 -0.89 -0.55 0.00 0.00 176.35 175.47 2kbs s THR 86 N -0.73 5.04 -0.17 5.48 2.01 -1.26 -2.03 115.64 123.98 2kbs s THR 86 Ca 0.01 0.55 -0.04 0.00 0.31 0.00 0.00 61.69 62.52 2kbs s THR 86 Cb -0.07 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 2kbs s THR 86 CO 0.01 -0.10 -0.04 0.27 -0.69 0.00 0.00 174.62 174.07 2kbs s ILE 87 N 2.36 3.77 -0.50 1.82 -4.36 0.64 0.91 121.20 125.86 2kbs s ILE 87 Ca 0.20 -0.39 -0.16 0.00 -0.26 0.00 0.00 60.65 60.04 2kbs s ILE 87 Cb -0.15 -2.67 0.09 0.00 1.25 0.00 0.00 42.46 40.98 2kbs s ILE 87 CO 0.12 0.47 0.44 -0.55 0.24 0.00 0.00 174.94 175.66 2kbs s SER 88 N 0.67 6.16 0.00 4.36 0.15 0.57 -0.93 113.70 124.68 2kbs s SER 88 Ca -0.02 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.17 2kbs s SER 88 Cb -0.14 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 2kbs s SER 88 CO 0.02 -0.73 0.07 -0.51 1.20 0.00 0.00 173.24 173.29 2kbs s ILE 89 N 1.67 4.61 -0.23 6.45 -1.16 0.14 -0.62 121.20 132.07 2kbs s ILE 89 Ca 0.04 -0.46 -0.02 0.00 -0.51 0.00 0.00 60.65 59.70 2kbs s ILE 89 Cb -0.26 -3.10 0.02 0.00 0.61 0.00 0.00 42.46 39.72 2kbs s ILE 89 CO 0.06 0.34 -0.08 -0.69 -2.81 0.00 0.00 174.94 171.76 2kbs s VAL 90 N -1.18 2.85 0.28 4.00 1.01 -1.02 0.13 120.40 126.47 2kbs s VAL 90 Ca 0.22 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2kbs s VAL 90 Cb -0.12 -2.37 -0.12 0.00 0.00 0.00 0.00 36.38 33.77 2kbs s VAL 90 CO 0.14 0.31 1.50 0.00 0.00 0.00 0.00 175.10 177.05 2kbs n ALA 91 N 4.69 1.93 0.00 5.51 0.00 -1.26 -1.74 120.51 129.64 2kbs n ALA 91 Ca -0.18 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2kbs n ALA 91 Cb 0.48 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.56 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 1.87 0.00 0.34 0.00 0.00 -1.26 -4.84 120.51 116.62 2kbs n ALA 92 Ca 0.09 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.72 2kbs n ALA 92 Cb 0.35 0.00 1.03 0.00 0.00 0.00 0.00 19.45 20.83 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 1.16 0.00 0.00 0.00 -1.52 -2.46 119.26 116.44 2kbs h ALA 93 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 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 -0.16 -1.55 0.41 0.00 0.00 0.00 179.25 177.95 2kbs n GLY 94 N -1.15 -0.39 0.37 0.00 0.00 0.04 -4.62 105.19 99.43 2kbs n GLY 94 Ca -0.03 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 0.48 -0.72 1.61 0.11 0.13 -0.46 114.38 115.52 2kbs h ARG 95 Ca -0.22 -0.03 0.07 0.00 0.10 0.00 0.00 59.98 59.91 2kbs h ARG 95 Cb 1.49 -0.11 -0.06 0.00 1.11 0.00 0.00 29.97 32.40 2kbs h ARG 95 CO 0.01 0.32 0.39 1.49 0.10 0.00 0.00 179.97 182.28 2kbs h GLU 96 N 0.49 0.68 0.00 0.08 4.81 -1.79 -1.24 114.58 117.62 2kbs h GLU 96 Ca 0.34 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2kbs h GLU 96 Cb 0.65 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2kbs h GLU 96 CO -0.11 0.45 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.54 2kbs h LEU 97 N 0.70 -0.01 -1.76 1.64 -0.00 -1.42 -2.66 115.31 111.80 2kbs h LEU 97 Ca 0.33 -0.57 0.28 0.00 -0.00 0.00 0.00 57.88 57.93 2kbs h LEU 97 Cb 0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.86 2kbs h LEU 97 CO -0.21 0.56 0.70 -0.26 -0.00 0.00 0.00 178.44 179.23 2kbs h PHE 98 N -0.58 0.25 0.05 1.13 0.04 -0.93 -1.72 116.94 115.18 2kbs h PHE 98 Ca -0.00 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 2kbs h PHE 98 Cb 0.57 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2kbs h PHE 98 CO 0.12 0.03 -0.03 0.52 -0.60 0.00 0.00 178.31 178.36 2kbs h MET 99 N 0.16 -0.07 0.00 1.51 2.86 -1.21 -3.51 114.93 114.67 2kbs h MET 99 Ca 0.52 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 2kbs h MET 99 Cb 1.74 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.42 2kbs h MET 99 CO -0.11 0.49 0.00 2.41 1.06 0.00 0.00 176.91 180.76