#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 0.15 -0.20 -1.58 2.12 -1.26 -4.78 118.70 113.15 2kbs s GLU 10 Ca 0.00 0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.46 2kbs s GLU 10 Cb 0.00 0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.49 2kbs s GLU 10 CO 0.00 -0.02 -0.17 0.21 -0.54 0.00 0.00 175.26 174.74 2kbs s LYS 11 N -0.03 2.77 0.18 4.30 2.20 0.16 -4.99 119.74 124.33 2kbs s LYS 11 Ca -0.01 -0.96 -0.20 0.00 -0.36 0.00 0.00 55.97 54.44 2kbs s LYS 11 Cb -0.01 -2.64 -0.08 0.00 -1.51 0.00 0.00 37.83 33.59 2kbs s LYS 11 CO 0.00 -0.31 0.70 0.21 -0.36 0.00 0.00 175.35 175.60 2kbs s LYS 12 N 1.25 4.28 -0.00 4.03 2.20 -1.26 -0.31 119.74 129.92 2kbs s LYS 12 Ca 0.01 0.88 -0.13 0.00 -0.36 0.00 0.00 55.97 56.37 2kbs s LYS 12 Cb -0.15 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.18 2kbs s LYS 12 CO -0.11 0.47 0.26 0.08 -0.36 0.00 0.00 175.35 175.69 2kbs s VAL 13 N -1.39 0.07 -0.10 4.02 1.01 -0.27 -4.90 120.40 118.84 2kbs s VAL 13 Ca 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2kbs s VAL 13 Cb -0.18 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.63 2kbs s VAL 13 CO 0.22 -0.31 -0.07 0.72 0.00 0.00 0.00 175.10 175.65 2kbs s PHE 14 N -1.44 1.35 -0.15 5.22 -0.71 -1.26 -0.44 117.98 120.55 2kbs s PHE 14 Ca -0.13 -0.62 -0.03 0.00 -1.04 0.00 0.00 56.93 55.11 2kbs s PHE 14 Cb -0.06 -1.13 -0.02 0.00 -1.21 0.00 0.00 43.02 40.60 2kbs s PHE 14 CO 0.03 -0.44 -0.06 0.42 -1.34 0.00 0.00 175.22 173.83 2kbs s ILE 15 N 1.51 3.68 -0.00 -4.49 -1.09 -0.90 -4.91 121.20 115.00 2kbs s ILE 15 Ca 0.01 -0.43 -0.02 0.00 -2.23 0.00 0.00 60.65 57.98 2kbs s ILE 15 Cb -0.13 -2.60 -0.00 0.00 -1.58 0.00 0.00 42.46 38.14 2kbs s ILE 15 CO -0.05 0.50 0.03 -0.94 -1.23 0.00 0.00 174.94 173.25 2kbs s SER 16 N 0.42 0.06 0.14 3.58 1.04 -1.25 -1.08 113.70 116.61 2kbs s SER 16 Ca -0.05 -0.16 -0.15 0.00 0.48 0.00 0.00 55.95 56.07 2kbs s SER 16 Cb -0.15 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.10 2kbs s SER 16 CO 0.03 -0.17 1.68 0.25 0.98 0.00 0.00 173.24 176.01 2kbs h LEU 17 N 5.30 0.60 0.00 2.42 5.85 -1.72 -3.46 115.31 124.31 2kbs h LEU 17 Ca -0.28 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2kbs h LEU 17 Cb 1.21 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2kbs h LEU 17 CO 0.44 0.62 0.00 0.52 -0.34 0.00 0.00 178.44 179.68 2kbs n VAL 18 N -4.60 0.00 0.00 1.05 0.31 -1.26 -3.54 118.33 110.29 2kbs n VAL 18 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2kbs n VAL 18 Cb 0.16 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 2kbs n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kbs n GLY 19 N 0.00 0.37 1.68 2.92 0.00 -1.26 -5.01 105.19 103.90 2kbs n GLY 19 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2kbs n GLY 19 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kbs n SER 20 N -0.53 1.08 -4.02 1.61 2.88 -1.25 -5.05 113.62 108.33 2kbs n SER 20 Ca 0.00 -2.00 -0.31 0.00 -1.33 0.00 0.00 58.87 55.23 2kbs n SER 20 Cb 0.00 -0.32 -0.16 0.00 -0.75 0.00 0.00 64.21 62.98 2kbs n SER 20 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2kbs s ARG 21 N -0.53 2.24 0.00 -1.46 1.81 -1.23 -5.07 118.95 114.71 2kbs s ARG 21 Ca 0.33 -0.76 0.00 0.00 -1.72 0.00 0.00 55.73 53.58 2kbs s ARG 21 Cb 0.38 -2.35 0.00 0.00 -0.45 0.00 0.00 34.95 32.53 2kbs s ARG 21 CO -0.15 -0.34 0.14 0.41 -0.68 0.00 0.00 175.30 174.68 2kbs n GLY 22 N 4.70 -2.47 1.40 -3.53 0.00 -1.26 -4.17 105.19 99.86 2kbs n GLY 22 Ca -0.16 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.16 0.16 0.00 0.99 7.94 -1.26 -4.28 117.00 120.39 2kbs n LEU 23 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2kbs n LEU 23 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2kbs n LEU 23 CO 0.00 -0.25 0.00 0.61 -1.11 0.00 0.00 177.39 176.64 2kbs n GLY 24 N 2.06 1.44 3.37 -3.96 0.00 -1.26 -0.18 105.19 106.65 2kbs n GLY 24 Ca 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.41 4.37 0.05 0.00 0.01 -1.10 -4.99 113.70 109.63 2kbs s SER 26 Ca -0.01 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 55.99 2kbs s SER 26 Cb 0.00 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 2kbs s SER 26 CO -0.07 -0.73 -0.05 0.27 0.41 0.00 0.00 173.24 173.06 2kbs s ILE 27 N -2.71 0.36 0.11 1.44 -4.36 -1.26 0.23 121.20 115.01 2kbs s ILE 27 Ca 0.31 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 59.37 2kbs s ILE 27 Cb 0.02 -0.89 -0.04 0.00 1.25 0.00 0.00 42.46 42.80 2kbs s ILE 27 CO 0.18 -0.64 -0.03 -0.94 0.24 0.00 0.00 174.94 173.75 2kbs s SER 28 N -2.10 0.88 0.16 4.36 1.04 -0.78 -4.72 113.70 112.54 2kbs s SER 28 Ca -0.04 -1.07 0.05 0.00 0.48 0.00 0.00 55.95 55.37 2kbs s SER 28 Cb -0.03 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 2kbs s SER 28 CO -0.03 -0.56 0.14 -0.94 0.98 0.00 0.00 173.24 172.83 2kbs s SER 29 N -3.04 5.55 0.42 7.02 1.04 -1.26 -0.05 113.70 123.38 2kbs s SER 29 Ca 0.15 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.50 2kbs s SER 29 Cb 0.06 -1.46 0.04 0.00 0.10 0.00 0.00 66.02 64.76 2kbs s SER 29 CO -0.03 0.07 0.34 0.61 0.98 0.00 0.00 173.24 175.20 2kbs n GLY 30 N -0.36 2.73 0.00 7.32 0.00 -1.24 -4.97 105.19 108.67 2kbs n GLY 30 Ca -0.08 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.52 -0.51 0.10 1.61 -0.04 -1.26 -4.69 135.00 128.69 2kbs n PRO 31 Ca -0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2kbs n PRO 31 Cb 0.47 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.32 0.47 -0.04 0.52 2.04 -2.00 -2.86 117.51 114.32 2kbs h ILE 32 Ca 0.00 -1.78 -0.11 0.00 1.00 0.00 0.00 64.86 63.98 2kbs h ILE 32 Cb 0.00 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2kbs h ILE 32 CO 0.00 0.27 -0.48 1.56 0.00 0.00 0.00 178.15 179.50 2kbs h GLN 33 N 0.00 0.09 -1.35 2.37 7.50 -2.07 -3.36 115.11 118.29 2kbs h GLN 33 Ca -0.06 -0.05 -0.45 0.00 0.50 0.00 0.00 58.65 58.59 2kbs h GLN 33 Cb 1.35 0.00 -0.31 0.00 0.05 0.00 0.00 27.48 28.57 2kbs h GLN 33 CO 0.04 0.55 -0.91 1.17 -1.50 0.00 0.00 178.83 178.18 2kbs n LYS 34 N -3.97 0.74 -2.47 1.46 4.81 -1.25 -5.13 118.16 112.36 2kbs n LYS 34 Ca -0.02 -2.75 -0.38 0.00 -0.87 0.00 0.00 58.31 54.29 2kbs n LYS 34 Cb 0.51 -1.30 -0.04 0.00 0.02 0.00 0.00 35.03 34.22 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 -0.62 4.34 0.00 1.64 0.04 -1.08 -4.28 135.00 135.05 2kbs s PRO 35 Ca 0.34 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2kbs s PRO 35 Cb 0.20 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.90 2kbs s PRO 35 CO -0.15 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2kbs n GLY 36 N 0.75 2.08 3.62 0.56 0.00 -1.26 -4.96 105.19 105.98 2kbs n GLY 36 Ca 0.02 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 4.49 0.45 -0.61 -1.09 -1.26 -3.65 121.20 117.53 2kbs s ILE 37 Ca 0.00 1.44 0.08 0.00 -2.23 0.00 0.00 60.65 59.94 2kbs s ILE 37 Cb 0.00 -4.41 0.02 0.00 -1.58 0.00 0.00 42.46 36.49 2kbs s ILE 37 CO 0.00 -0.59 0.60 -0.36 -1.23 0.00 0.00 174.94 173.36 2kbs s PHE 38 N 3.71 2.52 -0.23 3.97 0.08 0.93 -1.05 117.98 127.91 2kbs s PHE 38 Ca 0.43 -0.47 -0.06 0.00 0.12 0.00 0.00 56.93 56.94 2kbs s PHE 38 Cb -0.11 -2.33 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2kbs s PHE 38 CO 0.19 -0.54 0.03 0.42 -0.10 0.00 0.00 175.22 175.22 2kbs s ILE 39 N -2.42 4.06 0.00 0.64 -1.09 0.34 -1.88 121.20 120.85 2kbs s ILE 39 Ca 0.56 -0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 2kbs s ILE 39 Cb -0.09 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 2kbs s ILE 39 CO 0.34 0.37 0.00 -1.20 -1.23 0.00 0.00 174.94 173.22 2kbs n SER 40 N 4.75 0.00 -4.48 3.58 7.64 0.14 -1.76 113.62 123.48 2kbs n SER 40 Ca -0.17 -0.94 -0.46 0.00 1.01 0.00 0.00 58.87 58.31 2kbs n SER 40 Cb 0.51 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 2kbs n SER 40 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kbs n HIS 41 N -1.41 0.29 -5.27 1.43 8.25 -1.26 -4.27 115.22 112.98 2kbs n HIS 41 Ca 0.00 0.85 -0.31 0.00 -0.26 0.00 0.00 57.72 58.00 2kbs n HIS 41 Cb 0.00 -2.09 -0.16 0.00 1.12 0.00 0.00 29.99 28.86 2kbs n HIS 41 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2kbs s VAL 42 N -1.03 2.13 0.07 1.59 1.01 -1.26 -2.71 120.40 120.19 2kbs s VAL 42 Ca 0.62 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 61.53 2kbs s VAL 42 Cb -0.82 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2kbs s VAL 42 CO 0.58 0.58 0.10 -1.59 0.00 0.00 0.00 175.10 174.77 2kbs s LYS 43 N -0.64 2.99 0.99 2.72 -2.85 -0.51 -5.02 119.74 117.43 2kbs s LYS 43 Ca 0.10 -0.63 -0.12 0.00 -1.00 0.00 0.00 55.97 54.32 2kbs s LYS 43 Cb -0.10 -2.79 0.18 0.00 -2.06 0.00 0.00 37.83 33.06 2kbs s LYS 43 CO -0.01 0.58 1.09 -1.25 0.10 0.00 0.00 175.35 175.86 2kbs s PRO 44 N -2.36 0.53 -1.07 1.78 0.04 -1.26 -4.31 135.00 128.35 2kbs s PRO 44 Ca 0.30 0.60 -0.12 0.00 0.04 0.00 0.00 61.00 61.82 2kbs s PRO 44 Cb -0.12 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2kbs s PRO 44 CO 0.22 -2.68 0.85 0.41 0.04 0.00 0.00 177.00 175.84 2kbs n GLY 45 N -0.99 -1.10 2.88 0.56 0.00 -1.26 -5.00 105.19 100.27 2kbs n GLY 45 Ca 0.05 0.52 -0.07 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.88 -1.71 -0.03 1.61 7.64 -1.26 -5.00 113.62 111.99 2kbs n SER 46 Ca -0.08 -2.25 -0.13 0.00 1.01 0.00 0.00 58.87 57.41 2kbs n SER 46 Cb 0.60 2.87 -0.10 0.00 -1.01 0.00 0.00 64.21 66.57 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 0.03 -1.18 -3.43 -0.00 -0.86 -1.32 115.31 108.55 2kbs h LEU 47 Ca -0.26 -0.58 0.08 0.00 -0.00 0.00 0.00 57.88 57.12 2kbs h LEU 47 Cb 0.95 -0.01 -0.06 0.00 -0.00 0.00 0.00 40.66 41.54 2kbs h LEU 47 CO 0.32 0.61 0.58 0.77 -0.00 0.00 0.00 178.44 180.72 2kbs h SER 48 N -0.54 0.85 -0.05 -0.43 4.64 -1.29 0.11 113.55 116.84 2kbs h SER 48 Ca 0.00 0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.13 2kbs h SER 48 Cb 0.60 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2kbs h SER 48 CO 0.00 0.52 -0.72 0.00 -0.87 0.00 0.00 176.83 175.76 2kbs h ALA 49 N 1.54 0.43 -0.42 5.18 0.00 -1.77 0.27 119.26 124.49 2kbs h ALA 49 Ca 0.40 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2kbs h ALA 49 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kbs h ALA 49 CO -0.16 0.70 -0.05 0.93 0.00 0.00 0.00 179.25 180.68 2kbs h GLU 50 N 0.48 0.77 0.00 0.00 4.39 -0.33 -2.89 114.58 117.00 2kbs h GLU 50 Ca -0.04 -0.27 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 2kbs h GLU 50 Cb 1.33 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2kbs h GLU 50 CO 0.14 0.87 -0.37 -0.39 -1.16 0.00 0.00 179.01 178.11 2kbs h VAL 51 N 0.60 0.99 -0.00 3.13 -1.51 -0.84 -3.47 116.25 115.14 2kbs h VAL 51 Ca 0.11 -1.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.19 2kbs h VAL 51 Cb 0.55 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 2kbs h VAL 51 CO 0.03 0.36 0.00 0.61 -1.23 0.00 0.00 177.57 177.34 2kbs n GLY 52 N -0.05 0.61 3.95 5.19 0.00 -0.84 -5.06 105.19 108.98 2kbs n GLY 52 Ca -0.01 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 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 4.03 0.13 0.99 1.43 0.89 -5.02 118.68 121.12 2kbs s LEU 53 Ca 0.00 0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 2kbs s LEU 53 Cb 0.00 -3.25 0.07 0.00 0.03 0.00 0.00 46.19 43.03 2kbs s LEU 53 CO 0.00 -0.29 0.60 -1.61 0.23 0.00 0.00 176.35 175.28 2kbs s GLU 54 N -4.29 1.23 0.31 1.70 0.41 -1.26 -4.81 118.70 111.99 2kbs s GLU 54 Ca 0.40 -0.38 -0.30 0.00 -0.41 0.00 0.00 54.97 54.28 2kbs s GLU 54 Cb -0.10 0.57 -0.12 0.00 -1.78 0.00 0.00 34.13 32.71 2kbs s GLU 54 CO 0.35 -0.52 1.52 -0.89 -0.49 0.00 0.00 175.26 175.23 2kbs n ILE 55 N -0.18 1.31 0.00 -1.63 5.41 -1.26 -2.79 119.36 120.22 2kbs n ILE 55 Ca -0.17 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2kbs n ILE 55 Cb 0.64 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 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 1.67 2.74 3.26 7.39 0.00 -0.72 -4.89 105.19 114.64 2kbs n GLY 56 Ca 0.07 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 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 0.33 -2.84 -3.53 1.61 8.00 -1.12 0.12 116.55 119.12 2kbs n ASP 57 Ca 0.00 0.10 -0.15 0.00 0.71 0.00 0.00 54.79 55.46 2kbs n ASP 57 Cb 0.00 -0.97 -0.12 0.00 -0.02 0.00 0.00 41.12 40.01 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 -3.16 0.20 -0.03 -1.24 0.74 -1.24 -0.51 119.66 114.43 2kbs s GLN 58 Ca 0.52 0.47 -0.30 0.00 0.05 0.00 0.00 55.36 56.10 2kbs s GLN 58 Cb -0.14 -0.64 -0.05 0.00 1.10 0.00 0.00 33.01 33.28 2kbs s GLN 58 CO 0.69 -0.52 1.49 0.42 -0.55 0.00 0.00 175.29 176.82 2kbs s ILE 59 N 2.40 3.67 -1.14 -2.34 1.01 -0.22 -2.33 121.20 122.26 2kbs s ILE 59 Ca 0.06 0.97 0.11 0.00 0.00 0.00 0.00 60.65 61.78 2kbs s ILE 59 Cb -0.14 -3.62 0.21 0.00 0.01 0.00 0.00 42.46 38.92 2kbs s ILE 59 CO -0.11 -0.04 1.08 1.33 0.00 0.00 0.00 174.94 177.20 2kbs n VAL 60 N 5.02 0.56 -3.60 2.92 0.24 0.44 -4.33 118.33 119.58 2kbs n VAL 60 Ca 0.15 -0.78 -0.10 0.00 -2.04 0.00 0.00 64.34 61.57 2kbs n VAL 60 Cb 0.43 0.82 -0.06 0.00 -1.47 0.00 0.00 33.84 33.56 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 -0.97 0.56 -0.26 7.34 2.12 -0.77 -2.98 118.70 123.74 2kbs s GLU 61 Ca 0.19 0.31 -0.02 0.00 0.36 0.00 0.00 54.97 55.82 2kbs s GLU 61 Cb 0.11 0.27 0.14 0.00 0.26 0.00 0.00 34.13 34.91 2kbs s GLU 61 CO 0.15 -0.14 0.40 0.08 -0.54 0.00 0.00 175.26 175.22 2kbs s VAL 62 N -0.60 -0.64 -1.56 3.70 1.01 -0.71 0.27 120.40 121.86 2kbs s VAL 62 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2kbs s VAL 62 Cb -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.50 2kbs s VAL 62 CO -0.01 -0.15 0.12 -3.20 0.00 0.00 0.00 175.10 171.86 2kbs n ASN 63 N 5.37 -5.39 0.00 3.32 2.85 0.21 -1.00 115.26 120.61 2kbs n ASN 63 Ca -0.02 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 2kbs n ASN 63 Cb 0.50 -4.48 0.00 0.00 1.24 0.00 0.00 39.78 37.04 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 -1.06 3.00 3.71 8.20 0.00 -1.26 -5.02 105.19 112.76 2kbs n GLY 64 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.47 2.60 -0.14 1.61 1.01 -0.17 -4.93 120.40 117.90 2kbs s VAL 65 Ca 0.00 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 2kbs s VAL 65 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2kbs s VAL 65 CO 0.00 0.01 1.42 -0.62 0.00 0.00 0.00 175.10 175.92 2kbs s ASP 66 N 1.78 6.79 -0.25 3.32 2.15 -1.26 -1.74 116.67 127.46 2kbs s ASP 66 Ca 0.74 1.83 0.09 0.00 0.43 0.00 0.00 52.55 55.64 2kbs s ASP 66 Cb -0.44 -2.54 0.63 0.00 -0.30 0.00 0.00 42.92 40.27 2kbs s ASP 66 CO 0.33 -0.88 1.59 0.49 -0.17 0.00 0.00 175.17 176.53 2kbs n PHE 67 N 7.01 1.95 0.01 -5.34 3.01 -1.16 -4.27 117.46 118.67 2kbs n PHE 67 Ca 0.15 -0.90 -0.06 0.00 1.01 0.00 0.00 57.45 57.65 2kbs n PHE 67 Cb 0.44 -0.56 -0.04 0.00 -0.01 0.00 0.00 39.48 39.31 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 2.50 -0.12 -0.56 4.37 4.64 -1.88 -3.37 113.55 119.13 2kbs h SER 68 Ca 0.16 -0.24 -0.28 0.00 -0.47 0.00 0.00 61.79 60.96 2kbs h SER 68 Cb 1.96 0.03 -0.17 0.00 -0.31 0.00 0.00 62.40 63.92 2kbs h SER 68 CO 0.56 0.47 0.16 -0.46 -0.87 0.00 0.00 176.83 176.69 2kbs n ASN 69 N -4.84 2.98 -4.83 4.97 6.94 -1.26 -4.73 115.26 114.48 2kbs n ASN 69 Ca -0.04 -3.69 -0.34 0.00 -0.02 0.00 0.00 54.58 50.49 2kbs n ASN 69 Cb 0.17 -0.70 -0.06 0.00 -2.36 0.00 0.00 39.78 36.83 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 -3.25 4.12 0.61 -4.53 2.96 -1.26 -5.07 118.68 112.26 2kbs s LEU 70 Ca 0.49 1.40 -0.07 0.00 -0.22 0.00 0.00 54.13 55.73 2kbs s LEU 70 Cb 0.43 -4.03 0.01 0.00 0.50 0.00 0.00 46.19 43.09 2kbs s LEU 70 CO 0.04 -0.17 0.93 -0.62 -1.32 0.00 0.00 176.35 175.21 2kbs s ASP 71 N -2.09 5.58 0.08 3.68 2.15 -1.26 -4.83 116.67 119.98 2kbs s ASP 71 Ca 0.53 0.78 -0.30 0.00 0.43 0.00 0.00 52.55 53.98 2kbs s ASP 71 Cb -0.12 -1.75 -0.17 0.00 -0.30 0.00 0.00 42.92 40.58 2kbs s ASP 71 CO 0.18 -1.10 1.65 -0.74 -0.17 0.00 0.00 175.17 174.99 2kbs h HIS 72 N -0.24 -0.65 -0.84 -5.34 2.76 -1.97 -1.58 115.15 107.29 2kbs h HIS 72 Ca -0.45 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 57.78 2kbs h HIS 72 Cb 1.26 0.22 -0.06 0.00 1.55 0.00 0.00 27.41 30.38 2kbs h HIS 72 CO 0.48 -0.40 0.55 0.87 -1.30 0.00 0.00 177.93 178.13 2kbs h LYS 73 N -0.68 0.86 -0.75 5.26 1.79 -1.99 -1.36 116.57 119.70 2kbs h LYS 73 Ca -0.06 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 2kbs h LYS 73 Cb 0.53 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 2kbs h LYS 73 CO 0.10 0.57 0.39 0.93 -1.08 0.00 0.00 179.45 180.35 2kbs h GLU 74 N 0.88 1.05 -0.24 3.15 5.08 -1.87 0.27 114.58 122.91 2kbs h GLU 74 Ca 0.37 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2kbs h GLU 74 Cb 0.29 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2kbs h GLU 74 CO -0.14 0.80 0.13 0.00 -1.00 0.00 0.00 179.01 178.80 2kbs h ALA 75 N 1.20 0.31 -0.34 3.43 0.00 -0.26 -1.73 119.26 121.87 2kbs h ALA 75 Ca 0.26 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2kbs h ALA 75 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kbs h ALA 75 CO -0.04 -0.16 -0.19 0.28 0.00 0.00 0.00 179.25 179.15 2kbs h VAL 76 N 0.28 1.29 0.26 0.00 2.07 -1.19 -2.34 116.25 116.62 2kbs h VAL 76 Ca 0.09 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.30 2kbs h VAL 76 Cb 0.07 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2kbs h VAL 76 CO -0.01 0.43 -0.37 0.78 0.02 0.00 0.00 177.57 178.42 2kbs h ASN 77 N 0.50 -1.03 -0.45 0.57 -0.26 -0.32 0.54 115.58 115.12 2kbs h ASN 77 Ca 0.07 0.10 0.03 0.00 -0.56 0.00 0.00 56.30 55.94 2kbs h ASN 77 Cb 0.73 0.37 -0.03 0.00 -1.06 0.00 0.00 38.32 38.33 2kbs h ASN 77 CO 0.05 -0.48 0.26 -0.37 -1.06 0.00 0.00 177.43 175.83 2kbs h VAL 78 N -0.69 1.02 -0.14 2.81 -1.51 -1.37 0.76 116.25 117.13 2kbs h VAL 78 Ca -0.00 -0.18 -0.04 0.00 -1.23 0.00 0.00 66.70 65.25 2kbs h VAL 78 Cb 0.66 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.27 2kbs h VAL 78 CO -0.13 0.09 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.15 2kbs h LEU 79 N 0.51 0.20 0.00 4.19 -0.00 -1.11 -2.21 115.31 116.89 2kbs h LEU 79 Ca 0.19 -0.03 -0.22 0.00 -0.00 0.00 0.00 57.88 57.81 2kbs h LEU 79 Cb 0.04 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.62 2kbs h LEU 79 CO -0.10 0.32 -1.14 0.11 -0.00 0.00 0.00 178.44 177.63 2kbs h LYS 80 N 0.21 0.00 0.45 1.13 6.56 0.11 -3.38 116.57 121.65 2kbs h LYS 80 Ca 0.05 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.61 2kbs h LYS 80 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 2kbs h LYS 80 CO 0.02 0.82 -0.22 1.03 -2.06 0.00 0.00 179.45 179.04 2kbs h SER 81 N 0.00 -0.51 -3.12 0.86 0.87 0.11 -3.44 113.55 108.31 2kbs h SER 81 Ca -0.08 0.02 -0.59 0.00 -1.23 0.00 0.00 61.79 59.91 2kbs h SER 81 Cb 1.79 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 63.84 2kbs h SER 81 CO 0.11 -0.27 -0.13 -0.44 -0.53 0.00 0.00 176.83 175.57 2kbs s SER 82 N -3.66 6.92 -0.11 6.23 0.01 -0.90 -5.02 113.70 117.17 2kbs s SER 82 Ca -0.09 1.09 -0.02 0.00 1.31 0.00 0.00 55.95 58.23 2kbs s SER 82 Cb 0.01 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 2kbs s SER 82 CO 0.27 0.29 0.02 0.03 0.41 0.00 0.00 173.24 174.26 2kbs h ARG 83 N 4.71 0.00 -4.62 12.44 -0.00 -1.85 -3.42 114.38 121.64 2kbs h ARG 83 Ca -0.50 0.00 -0.73 0.00 -0.50 0.00 0.00 59.98 58.25 2kbs h ARG 83 Cb 1.22 0.00 -0.20 0.00 0.00 0.00 0.00 29.97 30.98 2kbs h ARG 83 CO 0.63 0.05 0.71 -1.12 0.00 0.00 0.00 179.97 180.24 2kbs s SER 84 N -5.61 6.76 -0.05 7.04 0.01 -1.25 -3.78 113.70 116.82 2kbs s SER 84 Ca -0.03 -2.42 0.05 0.00 1.31 0.00 0.00 55.95 54.87 2kbs s SER 84 Cb 0.00 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 2kbs s SER 84 CO 0.06 -0.86 -0.22 -1.48 0.41 0.00 0.00 173.24 171.15 2kbs s LEU 85 N 1.71 2.00 -0.31 2.44 0.05 -0.24 -4.98 118.68 119.36 2kbs s LEU 85 Ca 0.30 -0.45 -0.25 0.00 0.05 0.00 0.00 54.13 53.79 2kbs s LEU 85 Cb -0.06 -1.21 0.01 0.00 -2.05 0.00 0.00 46.19 42.88 2kbs s LEU 85 CO -0.08 0.20 0.87 -0.89 -0.55 0.00 0.00 176.35 175.90 2kbs s THR 86 N -0.04 4.71 -0.11 5.48 2.01 -1.26 -2.12 115.64 124.31 2kbs s THR 86 Ca -0.05 1.35 -0.00 0.00 0.31 0.00 0.00 61.69 63.31 2kbs s THR 86 Cb -0.13 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.13 2kbs s THR 86 CO 0.03 -0.31 -0.10 0.27 -0.69 0.00 0.00 174.62 173.82 2kbs s ILE 87 N 3.15 3.35 -0.33 1.82 -4.36 0.42 0.64 121.20 125.89 2kbs s ILE 87 Ca 0.36 -0.58 -0.11 0.00 -0.26 0.00 0.00 60.65 60.07 2kbs s ILE 87 Cb -0.14 -2.40 -0.00 0.00 1.25 0.00 0.00 42.46 41.17 2kbs s ILE 87 CO 0.13 0.54 0.19 -0.55 0.24 0.00 0.00 174.94 175.49 2kbs s SER 88 N -0.06 5.73 0.15 4.36 0.15 0.14 -1.12 113.70 123.06 2kbs s SER 88 Ca -0.01 -0.57 0.08 0.00 0.70 0.00 0.00 55.95 56.15 2kbs s SER 88 Cb -0.14 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 2kbs s SER 88 CO 0.03 -0.24 -0.12 -0.51 1.20 0.00 0.00 173.24 173.61 2kbs s ILE 89 N 1.64 3.14 -0.19 6.45 -1.16 0.57 -0.42 121.20 131.23 2kbs s ILE 89 Ca 0.05 -1.53 0.01 0.00 -0.51 0.00 0.00 60.65 58.66 2kbs s ILE 89 Cb -0.17 -2.51 0.04 0.00 0.61 0.00 0.00 42.46 40.42 2kbs s ILE 89 CO 0.08 -0.01 -0.13 0.54 -2.81 0.00 0.00 174.94 172.61 2kbs s VAL 90 N -1.46 1.76 0.27 4.00 0.11 -0.98 0.38 120.40 124.48 2kbs s VAL 90 Ca 0.22 -1.01 -0.31 0.00 -2.93 0.00 0.00 61.98 57.96 2kbs s VAL 90 Cb -0.10 -1.77 -0.12 0.00 -1.53 0.00 0.00 36.38 32.87 2kbs s VAL 90 CO 0.14 0.25 1.58 0.00 -3.33 0.00 0.00 175.10 173.74 2kbs n ALA 91 N 4.66 2.28 0.00 1.54 0.00 -1.26 -1.68 120.51 126.05 2kbs n ALA 91 Ca -0.16 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2kbs n ALA 91 Cb 0.47 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 2.41 0.00 0.21 0.00 0.00 -1.26 -4.84 120.51 117.03 2kbs n ALA 92 Ca 0.10 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.72 2kbs n ALA 92 Cb 0.35 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.64 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 1.73 0.00 0.00 0.00 -1.59 -2.68 119.26 116.73 2kbs h ALA 93 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2kbs h ALA 93 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kbs h ALA 93 CO 0.00 -0.35 -1.11 0.41 0.00 0.00 0.00 179.25 178.20 2kbs n GLY 94 N -1.37 -0.08 0.36 0.00 0.00 -1.02 -4.69 105.19 98.40 2kbs n GLY 94 Ca 0.02 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 0.45 -0.62 1.61 3.08 0.11 -2.17 114.38 116.85 2kbs h ARG 95 Ca -0.04 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.11 2kbs h ARG 95 Cb 1.10 -0.10 -0.11 0.00 0.08 0.00 0.00 29.97 30.93 2kbs h ARG 95 CO 0.00 0.30 -0.10 1.49 -1.07 0.00 0.00 179.97 180.59 2kbs h GLU 96 N 0.47 0.03 -0.18 0.04 4.81 -1.76 0.21 114.58 118.20 2kbs h GLU 96 Ca 0.31 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.42 2kbs h GLU 96 Cb 0.57 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2kbs h GLU 96 CO -0.09 0.02 -0.35 -0.07 -0.73 0.00 0.00 179.01 177.79 2kbs h LEU 97 N 0.03 0.62 -1.96 1.64 3.38 -1.71 -3.09 115.31 114.23 2kbs h LEU 97 Ca 0.31 -0.55 0.14 0.00 0.09 0.00 0.00 57.88 57.87 2kbs h LEU 97 Cb 0.48 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2kbs h LEU 97 CO -0.60 1.05 0.37 -0.26 0.09 0.00 0.00 178.44 179.09 2kbs h PHE 98 N 0.21 0.05 -0.46 1.13 0.04 -0.88 0.21 116.94 117.25 2kbs h PHE 98 Ca 0.01 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.80 2kbs h PHE 98 Cb 0.94 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 2kbs h PHE 98 CO 0.09 0.02 0.31 0.52 -0.60 0.00 0.00 178.31 178.65 2kbs h MET 99 N 0.05 0.56 0.00 1.51 2.86 -0.55 -3.51 114.93 115.84 2kbs h MET 99 Ca 0.25 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2kbs h MET 99 Cb 0.94 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.47 2kbs h MET 99 CO -0.01 0.37 0.00 2.41 1.06 0.00 0.00 176.91 180.73