#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 -4.71 -3.70 1.64 2.13 -1.26 -4.96 120.64 109.78 2kbs n GLU 10 Ca 0.00 3.40 -0.37 0.00 0.66 0.00 0.00 57.16 60.85 2kbs n GLU 10 Cb 0.00 -3.65 -0.07 0.00 0.27 0.00 0.00 31.44 27.99 2kbs n GLU 10 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2kbs s LYS 11 N -1.61 3.88 -0.01 5.31 2.20 0.31 -4.97 119.74 124.84 2kbs s LYS 11 Ca 0.00 -0.00 -0.13 0.00 -0.36 0.00 0.00 55.97 55.48 2kbs s LYS 11 Cb 0.00 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 2kbs s LYS 11 CO 0.00 0.53 0.37 0.21 -0.36 0.00 0.00 175.35 176.10 2kbs s LYS 12 N -0.38 3.83 -0.08 4.03 2.20 -1.26 0.02 119.74 128.10 2kbs s LYS 12 Ca 0.15 0.31 -0.06 0.00 -0.36 0.00 0.00 55.97 56.01 2kbs s LYS 12 Cb -0.13 -3.20 0.02 0.00 -1.51 0.00 0.00 37.83 33.02 2kbs s LYS 12 CO 0.04 0.69 0.20 0.08 -0.36 0.00 0.00 175.35 176.01 2kbs s VAL 13 N -1.10 -0.01 -0.18 4.02 1.01 -0.22 -4.90 120.40 119.01 2kbs s VAL 13 Ca 0.23 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.25 2kbs s VAL 13 Cb -0.16 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 35.97 2kbs s VAL 13 CO 0.12 0.01 -0.11 0.72 0.00 0.00 0.00 175.10 175.85 2kbs s PHE 14 N 0.34 2.29 -0.21 5.22 -0.71 -1.26 0.66 117.98 124.32 2kbs s PHE 14 Ca -0.02 -1.46 -0.09 0.00 -1.04 0.00 0.00 56.93 54.32 2kbs s PHE 14 Cb -0.03 -1.60 -0.05 0.00 -1.21 0.00 0.00 43.02 40.13 2kbs s PHE 14 CO -0.01 -0.71 0.12 0.42 -1.34 0.00 0.00 175.22 173.69 2kbs s ILE 15 N 1.44 5.20 -0.03 -4.49 -1.09 -0.76 -4.89 121.20 116.57 2kbs s ILE 15 Ca 0.00 0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.55 2kbs s ILE 15 Cb -0.15 -3.39 0.02 0.00 -1.58 0.00 0.00 42.46 37.36 2kbs s ILE 15 CO -0.09 0.40 -0.03 -0.94 -1.23 0.00 0.00 174.94 173.06 2kbs s SER 16 N 0.68 0.66 0.00 3.58 1.04 -1.23 -1.28 113.70 117.15 2kbs s SER 16 Ca 0.07 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2kbs s SER 16 Cb -0.12 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.69 2kbs s SER 16 CO 0.01 -0.06 0.97 -0.11 0.98 0.00 0.00 173.24 175.04 2kbs n LEU 17 N 3.92 0.00 -3.18 2.42 7.94 -1.19 -4.93 117.00 121.99 2kbs n LEU 17 Ca -0.25 0.97 -0.02 0.00 -1.11 0.00 0.00 56.01 55.61 2kbs n LEU 17 Cb 0.52 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2kbs n LEU 17 CO 0.23 -0.47 -0.49 1.33 -1.11 0.00 0.00 177.39 176.88 2kbs n VAL 18 N -2.17 -2.57 0.00 1.96 0.24 -1.26 -3.63 118.33 110.90 2kbs n VAL 18 Ca 0.00 0.55 0.00 0.00 -2.04 0.00 0.00 64.34 62.85 2kbs n VAL 18 Cb 0.00 -3.21 0.00 0.00 -1.47 0.00 0.00 33.84 29.16 2kbs n VAL 18 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kbs n GLY 19 N 1.20 1.71 2.37 7.63 0.00 -1.26 -4.40 105.19 112.44 2kbs n GLY 19 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.78 -4.40 1.61 7.64 -1.26 -4.93 113.62 107.50 2kbs n SER 20 Ca 0.00 0.23 -0.42 0.00 1.01 0.00 0.00 58.87 59.69 2kbs n SER 20 Cb 0.00 -4.14 -0.10 0.00 -1.01 0.00 0.00 64.21 58.96 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 -4.34 2.86 0.00 1.43 3.52 -1.24 -5.04 118.95 116.14 2kbs s ARG 21 Ca 0.00 -1.10 0.00 0.00 -0.13 0.00 0.00 55.73 54.50 2kbs s ARG 21 Cb 0.00 -3.84 0.00 0.00 -1.56 0.00 0.00 34.95 29.55 2kbs s ARG 21 CO 0.00 -0.75 0.00 0.41 -0.81 0.00 0.00 175.30 174.15 2kbs n GLY 22 N 5.06 -0.91 2.01 8.12 0.00 -1.26 -4.14 105.19 114.06 2kbs n GLY 22 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.25 0.00 0.99 7.94 -1.26 -4.41 117.00 120.01 2kbs n LEU 23 Ca 0.00 0.36 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 2kbs n LEU 23 Cb 0.00 0.40 0.00 0.00 0.53 0.00 0.00 43.42 44.35 2kbs n LEU 23 CO 0.00 -0.68 0.00 0.61 -1.11 0.00 0.00 177.39 176.21 2kbs n GLY 24 N 1.38 1.59 3.27 -3.96 0.00 -1.26 0.13 105.19 106.34 2kbs n GLY 24 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.98 4.35 -0.01 0.00 0.01 -1.06 -4.97 113.70 109.03 2kbs s SER 26 Ca 0.18 -1.27 -0.04 0.00 1.31 0.00 0.00 55.95 56.13 2kbs s SER 26 Cb 0.05 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.23 2kbs s SER 26 CO -0.00 -0.73 0.08 0.27 0.41 0.00 0.00 173.24 173.27 2kbs s ILE 27 N -2.71 0.05 0.21 1.44 -4.36 -1.26 -0.06 121.20 114.52 2kbs s ILE 27 Ca 0.31 -0.45 0.06 0.00 -0.26 0.00 0.00 60.65 60.31 2kbs s ILE 27 Cb 0.03 -0.27 -0.05 0.00 1.25 0.00 0.00 42.46 43.41 2kbs s ILE 27 CO 0.17 -0.25 -0.09 -0.44 0.24 0.00 0.00 174.94 174.57 2kbs s SER 28 N -0.80 2.32 -0.06 4.36 0.01 -0.71 -4.80 113.70 114.02 2kbs s SER 28 Ca -0.09 -1.09 -0.02 0.00 1.31 0.00 0.00 55.95 56.06 2kbs s SER 28 Cb -0.05 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 2kbs s SER 28 CO 0.00 -0.30 0.05 -0.44 0.41 0.00 0.00 173.24 172.97 2kbs s SER 29 N -3.31 5.57 0.61 2.44 0.01 -1.26 -0.06 113.70 117.70 2kbs s SER 29 Ca 0.24 0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.70 2kbs s SER 29 Cb 0.02 -1.62 0.07 0.00 0.21 0.00 0.00 66.02 64.70 2kbs s SER 29 CO 0.07 0.35 0.85 -0.83 0.41 0.00 0.00 173.24 174.09 2kbs s GLY 30 N -1.21 1.80 0.00 3.44 0.00 -1.18 -4.97 107.32 105.21 2kbs s GLY 30 Ca 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2kbs s GLY 30 CO 0.07 -1.11 0.00 -1.55 0.00 0.00 0.00 173.10 170.51 2kbs n PRO 31 N -2.51 -0.28 0.12 2.90 -0.04 -1.26 -4.50 135.00 129.43 2kbs n PRO 31 Ca 0.11 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.58 2kbs n PRO 31 Cb 0.60 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.06 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 -1.19 0.89 0.00 0.52 2.04 -1.99 -1.28 117.51 116.50 2kbs h ILE 32 Ca 0.00 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.57 2kbs h ILE 32 Cb 0.00 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2kbs h ILE 32 CO 0.00 0.51 0.00 0.00 0.00 0.00 0.00 178.15 178.66 2kbs n GLN 33 N -3.19 0.39 -2.69 2.37 3.00 -1.26 -4.22 117.38 111.79 2kbs n GLN 33 Ca 0.00 0.04 -0.05 0.00 -0.01 0.00 0.00 57.00 56.98 2kbs n GLN 33 Cb 0.77 -1.50 0.10 0.00 0.00 0.00 0.00 30.24 29.61 2kbs n GLN 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2kbs n LYS 34 N -1.27 0.46 -2.23 -1.09 4.81 -1.21 -5.16 118.16 112.48 2kbs n LYS 34 Ca 0.13 -1.14 -0.38 0.00 -0.87 0.00 0.00 58.31 56.05 2kbs n LYS 34 Cb 0.20 -0.43 -0.01 0.00 0.02 0.00 0.00 35.03 34.81 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 0.12 3.93 0.00 1.64 0.04 -0.49 -4.18 135.00 136.07 2kbs s PRO 35 Ca 0.20 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2kbs s PRO 35 Cb 0.29 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2kbs s PRO 35 CO -0.14 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2kbs n GLY 36 N 0.59 0.44 3.57 0.56 0.00 -1.26 -4.65 105.19 104.44 2kbs n GLY 36 Ca 0.05 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 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 4.82 0.46 -0.61 -1.09 -1.25 -3.09 121.20 118.43 2kbs s ILE 37 Ca 0.00 0.64 0.08 0.00 -2.23 0.00 0.00 60.65 59.14 2kbs s ILE 37 Cb 0.00 -4.15 0.02 0.00 -1.58 0.00 0.00 42.46 36.76 2kbs s ILE 37 CO 0.00 -0.40 0.57 -0.36 -1.23 0.00 0.00 174.94 173.52 2kbs s PHE 38 N 2.89 2.39 -0.10 3.97 0.40 0.92 -0.39 117.98 128.05 2kbs s PHE 38 Ca 0.27 -0.52 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 2kbs s PHE 38 Cb -0.14 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.09 2kbs s PHE 38 CO 0.16 -0.54 -0.04 0.42 0.70 0.00 0.00 175.22 175.92 2kbs s ILE 39 N -2.47 3.90 0.00 0.64 -1.09 0.18 -1.74 121.20 120.61 2kbs s ILE 39 Ca 0.54 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.57 2kbs s ILE 39 Cb -0.07 -2.65 0.00 0.00 -1.58 0.00 0.00 42.46 38.16 2kbs s ILE 39 CO 0.33 0.56 0.00 -1.20 -1.23 0.00 0.00 174.94 173.40 2kbs n SER 40 N 2.69 0.60 -4.42 3.58 7.64 0.91 -2.98 113.62 121.65 2kbs n SER 40 Ca -0.18 -0.93 -0.42 0.00 1.01 0.00 0.00 58.87 58.35 2kbs n SER 40 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.65 -0.78 -4.25 1.43 8.25 -1.26 -4.02 115.22 113.93 2kbs n HIS 41 Ca 0.00 0.62 -0.29 0.00 -0.26 0.00 0.00 57.72 57.79 2kbs n HIS 41 Cb 0.00 -1.95 -0.10 0.00 1.12 0.00 0.00 29.99 29.06 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 -1.50 3.26 -0.22 1.59 1.01 -1.26 -2.57 120.40 120.71 2kbs s VAL 42 Ca 0.63 -1.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 2kbs s VAL 42 Cb -0.62 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2kbs s VAL 42 CO 0.59 0.04 0.06 -0.54 0.00 0.00 0.00 175.10 175.25 2kbs s LYS 43 N -2.39 3.77 0.93 2.72 1.02 0.21 -4.99 119.74 121.01 2kbs s LYS 43 Ca 0.22 -0.43 -0.12 0.00 0.02 0.00 0.00 55.97 55.65 2kbs s LYS 43 Cb -0.10 -3.26 0.07 0.00 -0.52 0.00 0.00 37.83 34.01 2kbs s LYS 43 CO 0.14 -0.01 0.63 -2.30 -0.92 0.00 0.00 175.35 172.89 2kbs n PRO 44 N 4.37 -0.32 -3.51 -1.68 -0.02 -1.26 -3.65 135.00 128.92 2kbs n PRO 44 Ca -0.16 -0.04 -0.18 0.00 -2.02 0.00 0.00 63.50 61.09 2kbs n PRO 44 Cb 0.52 -2.01 0.07 0.00 -0.02 0.00 0.00 33.50 32.06 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 1.14 -0.36 1.20 -1.23 0.00 -1.26 -5.00 105.19 99.69 2kbs n GLY 45 Ca 0.08 0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.11 -0.29 0.06 1.61 7.64 -1.24 -5.07 113.62 113.22 2kbs n SER 46 Ca -0.29 -1.80 -0.21 0.00 1.01 0.00 0.00 58.87 57.58 2kbs n SER 46 Cb 0.67 0.66 -0.13 0.00 -1.01 0.00 0.00 64.21 64.40 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 0.68 -1.00 -3.43 3.38 -0.64 -2.84 115.31 111.46 2kbs h LEU 47 Ca -0.09 -0.85 0.16 0.00 0.09 0.00 0.00 57.88 57.18 2kbs h LEU 47 Cb 0.45 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 2kbs h LEU 47 CO 0.13 1.47 0.62 0.77 0.09 0.00 0.00 178.44 181.51 2kbs h SER 48 N -0.01 0.85 0.01 -0.43 4.64 -1.38 0.47 113.55 117.69 2kbs h SER 48 Ca -0.15 0.07 -0.19 0.00 -0.47 0.00 0.00 61.79 61.05 2kbs h SER 48 Cb 1.72 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.72 2kbs h SER 48 CO 0.19 0.38 -0.66 0.00 -0.87 0.00 0.00 176.83 175.87 2kbs h ALA 49 N 1.59 0.54 -0.72 5.18 0.00 -1.82 0.25 119.26 124.28 2kbs h ALA 49 Ca 0.54 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kbs h ALA 49 Cb 0.69 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2kbs h ALA 49 CO -0.33 0.71 0.47 0.93 0.00 0.00 0.00 179.25 181.03 2kbs h GLU 50 N 0.45 0.95 0.00 0.00 4.39 -0.71 -2.35 114.58 117.31 2kbs h GLU 50 Ca -0.02 -0.06 -0.24 0.00 0.34 0.00 0.00 59.36 59.38 2kbs h GLU 50 Cb 1.25 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 2kbs h GLU 50 CO 0.13 0.63 -1.22 -0.39 -1.16 0.00 0.00 179.01 177.00 2kbs h VAL 51 N 0.97 1.45 0.00 3.13 -1.51 -1.10 -3.49 116.25 115.71 2kbs h VAL 51 Ca 0.26 -3.20 0.00 0.00 -1.23 0.00 0.00 66.70 62.53 2kbs h VAL 51 Cb -0.10 2.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 2kbs h VAL 51 CO -0.06 0.83 0.00 0.61 -1.23 0.00 0.00 177.57 177.73 2kbs n GLY 52 N 1.42 0.67 3.98 5.19 0.00 -0.47 -4.99 105.19 110.98 2kbs n GLY 52 Ca -0.05 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 3.86 -0.17 0.99 1.43 0.75 -5.01 118.68 120.54 2kbs s LEU 53 Ca 0.00 -0.02 -0.35 0.00 -1.03 0.00 0.00 54.13 52.74 2kbs s LEU 53 Cb 0.00 -2.90 0.14 0.00 0.03 0.00 0.00 46.19 43.46 2kbs s LEU 53 CO 0.00 -0.52 1.26 -0.70 0.23 0.00 0.00 176.35 176.62 2kbs s GLU 54 N -4.31 0.27 0.39 1.70 -6.30 -1.26 -4.76 118.70 104.43 2kbs s GLU 54 Ca 0.46 -0.12 -0.27 0.00 -2.50 0.00 0.00 54.97 52.54 2kbs s GLU 54 Cb -0.10 0.12 -0.11 0.00 0.00 0.00 0.00 34.13 34.04 2kbs s GLU 54 CO 0.33 -0.12 1.38 -0.89 0.02 0.00 0.00 175.26 175.98 2kbs n ILE 55 N -0.17 2.22 0.00 -3.70 5.41 -1.26 -2.81 119.36 119.05 2kbs n ILE 55 Ca -0.01 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.24 2kbs n ILE 55 Cb 0.59 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 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 0.63 2.76 3.68 7.39 0.00 -1.16 -4.90 105.19 113.59 2kbs n GLY 56 Ca 0.04 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 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 0.42 0.87 -3.66 1.61 9.92 -1.12 0.13 116.55 124.71 2kbs n ASP 57 Ca 0.00 0.57 -0.20 0.00 -0.53 0.00 0.00 54.79 54.63 2kbs n ASP 57 Cb 0.00 -1.49 -0.18 0.00 -0.64 0.00 0.00 41.12 38.81 2kbs n ASP 57 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2kbs s GLN 58 N -4.09 -0.05 -0.16 -1.24 0.74 -1.25 -0.65 119.66 112.96 2kbs s GLN 58 Ca 0.73 0.36 -0.29 0.00 0.05 0.00 0.00 55.36 56.20 2kbs s GLN 58 Cb -0.29 -0.60 -0.03 0.00 1.10 0.00 0.00 33.01 33.19 2kbs s GLN 58 CO 0.52 -0.36 1.59 0.42 -0.55 0.00 0.00 175.29 176.91 2kbs s ILE 59 N 2.18 3.73 -0.40 -2.34 1.01 0.47 -3.22 121.20 122.63 2kbs s ILE 59 Ca 0.05 0.85 0.21 0.00 0.00 0.00 0.00 60.65 61.75 2kbs s ILE 59 Cb -0.12 -3.66 -0.29 0.00 0.01 0.00 0.00 42.46 38.40 2kbs s ILE 59 CO -0.04 -0.20 0.63 1.33 0.00 0.00 0.00 174.94 176.66 2kbs n VAL 60 N 5.99 0.00 -3.63 2.92 0.24 -0.68 -4.21 118.33 118.96 2kbs n VAL 60 Ca 0.18 -0.30 -0.16 0.00 -2.04 0.00 0.00 64.34 62.02 2kbs n VAL 60 Cb 0.44 0.41 -0.07 0.00 -1.47 0.00 0.00 33.84 33.15 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 -3.26 0.85 -0.25 7.34 2.12 -0.92 -1.80 118.70 122.78 2kbs s GLU 61 Ca -0.02 0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.48 2kbs s GLU 61 Cb 0.14 0.40 0.12 0.00 0.26 0.00 0.00 34.13 35.05 2kbs s GLU 61 CO 0.87 -0.24 0.30 0.08 -0.54 0.00 0.00 175.26 175.72 2kbs s VAL 62 N -1.00 -0.43 -1.44 3.70 1.01 -0.79 -0.67 120.40 120.78 2kbs s VAL 62 Ca -0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 2kbs s VAL 62 Cb -0.03 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.51 2kbs s VAL 62 CO 0.06 -0.31 0.28 -3.20 0.00 0.00 0.00 175.10 171.94 2kbs n ASN 63 N 5.33 -5.09 0.00 3.32 2.85 0.18 -1.19 115.26 120.66 2kbs n ASN 63 Ca -0.03 -0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 2kbs n ASN 63 Cb 0.48 -4.20 0.00 0.00 1.24 0.00 0.00 39.78 37.30 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 -1.16 0.75 3.30 8.20 0.00 -1.26 -5.02 105.19 110.01 2kbs n GLY 64 Ca -0.14 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 3.33 -0.24 1.61 1.01 -0.33 -5.06 120.40 118.71 2kbs s VAL 65 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 2kbs s VAL 65 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2kbs s VAL 65 CO 0.00 0.43 1.91 -1.81 0.00 0.00 0.00 175.10 175.63 2kbs s ASP 66 N 1.45 5.91 -0.19 3.32 1.01 -1.26 -1.88 116.67 125.04 2kbs s ASP 66 Ca 0.06 1.68 0.11 0.00 0.71 0.00 0.00 52.55 55.11 2kbs s ASP 66 Cb -0.14 -2.52 0.65 0.00 1.01 0.00 0.00 42.92 41.92 2kbs s ASP 66 CO -0.04 -1.63 1.49 0.49 0.21 0.00 0.00 175.17 175.69 2kbs n PHE 67 N 10.10 1.65 0.05 4.23 3.01 -0.75 -4.11 117.46 131.64 2kbs n PHE 67 Ca 0.24 -0.57 -0.21 0.00 1.01 0.00 0.00 57.45 57.92 2kbs n PHE 67 Cb 0.45 -0.42 -0.12 0.00 -0.01 0.00 0.00 39.48 39.38 2kbs n PHE 67 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2kbs h SER 68 N 3.18 0.81 0.00 4.37 0.87 -1.85 -3.35 113.55 117.58 2kbs h SER 68 Ca 0.00 -0.79 -0.03 0.00 -1.23 0.00 0.00 61.79 59.75 2kbs h SER 68 Cb 1.67 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 63.32 2kbs h SER 68 CO 0.39 1.50 -0.50 -0.46 -0.53 0.00 0.00 176.83 177.23 2kbs n ASN 69 N -3.92 1.65 -4.83 6.23 0.23 -1.26 -4.30 115.26 109.06 2kbs n ASN 69 Ca -0.12 -3.43 -0.33 0.00 -0.53 0.00 0.00 54.58 50.16 2kbs n ASN 69 Cb 0.88 -0.47 -0.06 0.00 -2.08 0.00 0.00 39.78 38.05 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 -2.60 4.07 0.58 -4.53 2.96 -1.26 -5.06 118.68 112.84 2kbs s LEU 70 Ca 0.35 1.47 -0.06 0.00 -0.22 0.00 0.00 54.13 55.67 2kbs s LEU 70 Cb 0.35 -4.17 0.00 0.00 0.50 0.00 0.00 46.19 42.87 2kbs s LEU 70 CO -0.07 -0.22 0.89 -0.62 -1.32 0.00 0.00 176.35 175.01 2kbs s ASP 71 N -2.13 5.66 0.11 3.68 2.15 -1.26 -4.64 116.67 120.25 2kbs s ASP 71 Ca 0.55 0.73 -0.21 0.00 0.43 0.00 0.00 52.55 54.05 2kbs s ASP 71 Cb -0.11 -1.75 -0.09 0.00 -0.30 0.00 0.00 42.92 40.67 2kbs s ASP 71 CO 0.17 -1.01 1.75 -0.74 -0.17 0.00 0.00 175.17 175.17 2kbs h HIS 72 N -0.13 0.12 -0.79 -5.34 2.76 -1.97 -1.65 115.15 108.14 2kbs h HIS 72 Ca -0.45 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 57.72 2kbs h HIS 72 Cb 1.25 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 30.14 2kbs h HIS 72 CO 0.48 0.07 0.49 0.87 -1.30 0.00 0.00 177.93 178.54 2kbs h LYS 73 N 0.14 1.06 -0.46 5.26 6.56 -1.99 -2.33 116.57 124.81 2kbs h LYS 73 Ca 0.05 -0.09 0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2kbs h LYS 73 Cb 0.01 -0.23 -0.03 0.00 -0.57 0.00 0.00 32.23 31.41 2kbs h LYS 73 CO -0.04 0.74 0.28 0.93 -2.06 0.00 0.00 179.45 179.29 2kbs h GLU 74 N 1.08 0.54 -0.27 3.15 5.08 -1.87 0.25 114.58 122.55 2kbs h GLU 74 Ca 0.29 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2kbs h GLU 74 Cb -0.06 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2kbs h GLU 74 CO -0.06 0.36 0.14 0.00 -1.00 0.00 0.00 179.01 178.45 2kbs h ALA 75 N 1.20 0.33 -0.37 3.43 0.00 -0.97 -1.15 119.26 121.72 2kbs h ALA 75 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2kbs h ALA 75 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kbs h ALA 75 CO -0.08 -0.25 -0.05 0.28 0.00 0.00 0.00 179.25 179.16 2kbs h VAL 76 N 0.30 1.27 0.46 0.00 2.07 -1.14 -2.00 116.25 117.21 2kbs h VAL 76 Ca 0.11 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 2kbs h VAL 76 Cb 0.02 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2kbs h VAL 76 CO -0.06 0.36 -0.42 -1.13 0.02 0.00 0.00 177.57 176.33 2kbs h ASN 77 N 0.50 -1.14 -0.61 0.57 -1.24 -0.26 0.43 115.58 113.83 2kbs h ASN 77 Ca 0.10 0.09 0.05 0.00 0.71 0.00 0.00 56.30 57.25 2kbs h ASN 77 Cb 0.54 0.38 -0.05 0.00 0.73 0.00 0.00 38.32 39.92 2kbs h ASN 77 CO 0.03 -0.59 0.34 -0.37 -1.29 0.00 0.00 177.43 175.55 2kbs h VAL 78 N -0.89 0.99 -0.11 2.57 -1.51 -1.26 0.67 116.25 116.71 2kbs h VAL 78 Ca -0.05 -0.22 -0.05 0.00 -1.23 0.00 0.00 66.70 65.15 2kbs h VAL 78 Cb 0.78 0.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.21 2kbs h VAL 78 CO -0.04 0.12 -0.16 -0.07 -1.23 0.00 0.00 177.57 176.18 2kbs h LEU 79 N 0.64 0.17 0.00 4.19 -0.00 -1.10 -2.24 115.31 116.97 2kbs h LEU 79 Ca 0.27 -0.03 -0.23 0.00 -0.00 0.00 0.00 57.88 57.88 2kbs h LEU 79 Cb 0.14 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 2kbs h LEU 79 CO -0.16 0.34 -1.19 0.11 -0.00 0.00 0.00 178.44 177.54 2kbs h LYS 80 N 0.17 0.01 0.40 1.13 6.56 0.11 -3.38 116.57 121.57 2kbs h LYS 80 Ca 0.03 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 2kbs h LYS 80 Cb 0.39 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 2kbs h LYS 80 CO 0.02 0.88 -0.19 1.03 -2.06 0.00 0.00 179.45 179.13 2kbs h SER 81 N 0.00 -0.45 -3.35 0.86 0.87 0.74 -3.43 113.55 108.79 2kbs h SER 81 Ca -0.09 0.02 -0.56 0.00 -1.23 0.00 0.00 61.79 59.93 2kbs h SER 81 Cb 1.84 0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 63.86 2kbs h SER 81 CO 0.12 -0.23 0.04 -0.44 -0.53 0.00 0.00 176.83 175.79 2kbs s SER 82 N -3.60 6.97 -0.09 6.23 0.01 -0.88 -4.99 113.70 117.35 2kbs s SER 82 Ca -0.08 1.17 -0.15 0.00 1.31 0.00 0.00 55.95 58.20 2kbs s SER 82 Cb 0.01 -2.39 -0.12 0.00 0.21 0.00 0.00 66.02 63.73 2kbs s SER 82 CO 0.24 -0.03 0.49 0.03 0.41 0.00 0.00 173.24 174.37 2kbs h ARG 83 N 6.35 -0.09 -3.64 12.44 -0.00 -1.84 -3.40 114.38 124.20 2kbs h ARG 83 Ca -0.42 0.01 -0.80 0.00 -0.50 0.00 0.00 59.98 58.27 2kbs h ARG 83 Cb 1.20 0.02 -0.27 0.00 0.00 0.00 0.00 29.97 30.91 2kbs h ARG 83 CO 0.73 0.32 0.35 -1.12 0.00 0.00 0.00 179.97 180.26 2kbs s SER 84 N -5.68 7.16 -0.02 7.04 0.01 -1.25 -3.16 113.70 117.81 2kbs s SER 84 Ca -0.09 -3.34 0.04 0.00 1.31 0.00 0.00 55.95 53.87 2kbs s SER 84 Cb -0.01 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2kbs s SER 84 CO 0.34 -0.37 -0.13 -1.48 0.41 0.00 0.00 173.24 172.00 2kbs s LEU 85 N -0.86 2.80 -0.31 2.44 0.05 -0.40 -4.97 118.68 117.43 2kbs s LEU 85 Ca 0.27 -0.23 -0.21 0.00 0.05 0.00 0.00 54.13 54.01 2kbs s LEU 85 Cb -0.10 -1.60 -0.01 0.00 -2.05 0.00 0.00 46.19 42.43 2kbs s LEU 85 CO -0.08 0.32 0.65 -0.89 -0.55 0.00 0.00 176.35 175.80 2kbs s THR 86 N -0.83 4.91 -0.15 5.48 2.01 -1.26 -1.83 115.64 123.97 2kbs s THR 86 Ca 0.13 0.86 -0.00 0.00 0.31 0.00 0.00 61.69 62.99 2kbs s THR 86 Cb -0.11 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 2kbs s THR 86 CO 0.03 -0.18 -0.13 0.27 -0.69 0.00 0.00 174.62 173.91 2kbs s ILE 87 N 2.68 2.88 -0.24 1.82 -4.36 0.21 0.52 121.20 124.71 2kbs s ILE 87 Ca 0.26 -0.70 -0.14 0.00 -0.26 0.00 0.00 60.65 59.81 2kbs s ILE 87 Cb -0.15 -2.23 -0.04 0.00 1.25 0.00 0.00 42.46 41.30 2kbs s ILE 87 CO 0.12 0.51 0.34 -0.55 0.24 0.00 0.00 174.94 175.60 2kbs s SER 88 N 0.72 6.29 0.05 4.36 0.15 0.15 -1.06 113.70 124.36 2kbs s SER 88 Ca -0.06 0.34 0.06 0.00 0.70 0.00 0.00 55.95 56.99 2kbs s SER 88 Cb -0.15 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 2kbs s SER 88 CO 0.02 -0.10 -0.18 -0.51 1.20 0.00 0.00 173.24 173.67 2kbs s ILE 89 N 1.59 1.43 -0.17 6.45 -1.16 0.10 -1.69 121.20 127.75 2kbs s ILE 89 Ca 0.15 -1.16 -0.03 0.00 -0.51 0.00 0.00 60.65 59.10 2kbs s ILE 89 Cb -0.15 -1.27 -0.02 0.00 0.61 0.00 0.00 42.46 41.63 2kbs s ILE 89 CO 0.08 0.08 -0.06 0.54 -2.81 0.00 0.00 174.94 172.78 2kbs s VAL 90 N -0.87 3.52 0.19 4.00 0.11 -1.20 0.11 120.40 126.26 2kbs s VAL 90 Ca 0.05 -0.47 -0.31 0.00 -2.93 0.00 0.00 61.98 58.32 2kbs s VAL 90 Cb -0.09 -2.55 -0.10 0.00 -1.53 0.00 0.00 36.38 32.12 2kbs s VAL 90 CO 0.02 0.47 1.47 0.00 -3.33 0.00 0.00 175.10 173.73 2kbs s ALA 91 N 0.79 3.67 0.00 1.54 0.00 -1.26 -2.48 121.76 124.02 2kbs s ALA 91 Ca -0.02 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.23 2kbs s ALA 91 Cb -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2kbs s ALA 91 CO 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 175.76 175.06 2kbs n ALA 92 N 3.29 0.00 0.17 0.00 0.00 -1.26 -4.85 120.51 117.85 2kbs n ALA 92 Ca 0.10 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.73 2kbs n ALA 92 Cb 0.40 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.63 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 1.86 0.00 0.00 0.00 -1.70 -2.27 119.26 117.14 2kbs h ALA 93 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2kbs h ALA 93 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2kbs h ALA 93 CO 0.00 -0.52 -1.59 0.41 0.00 0.00 0.00 179.25 177.55 2kbs n GLY 94 N -1.40 -0.40 0.35 0.00 0.00 -0.58 -4.61 105.19 98.56 2kbs n GLY 94 Ca 0.04 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 0.50 -0.52 1.61 0.11 0.16 -2.10 114.38 114.14 2kbs h ARG 95 Ca -0.23 -0.03 0.10 0.00 0.10 0.00 0.00 59.98 59.92 2kbs h ARG 95 Cb 1.52 -0.11 -0.10 0.00 1.11 0.00 0.00 29.97 32.39 2kbs h ARG 95 CO 0.01 0.33 -0.13 1.49 0.10 0.00 0.00 179.97 181.77 2kbs h GLU 96 N 0.51 -0.00 -0.25 0.08 4.57 -1.73 0.20 114.58 117.96 2kbs h GLU 96 Ca 0.30 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.31 2kbs h GLU 96 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2kbs h GLU 96 CO -0.09 -0.00 -0.52 -0.07 -1.18 0.00 0.00 179.01 177.15 2kbs h LEU 97 N -0.00 0.89 -0.18 1.64 3.38 -1.70 -3.27 115.31 116.07 2kbs h LEU 97 Ca 0.25 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.71 2kbs h LEU 97 Cb 0.38 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2kbs h LEU 97 CO -0.53 1.27 -0.09 -0.26 0.09 0.00 0.00 178.44 178.91 2kbs h PHE 98 N 0.54 -0.22 -3.75 1.13 -1.00 -0.70 -3.42 116.94 109.51 2kbs h PHE 98 Ca 0.01 0.02 -0.55 0.00 2.81 0.00 0.00 57.97 60.25 2kbs h PHE 98 Cb 1.13 0.13 0.18 0.00 3.61 0.00 0.00 35.95 40.99 2kbs h PHE 98 CO 0.08 -0.15 0.07 0.00 -1.61 0.00 0.00 178.31 176.70 2kbs n MET 99 N -5.24 0.46 0.00 1.51 0.00 0.58 -5.09 117.12 109.34 2kbs n MET 99 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 57.70 57.89 2kbs n MET 99 Cb 0.17 -2.20 0.00 0.00 0.00 0.00 0.00 33.22 31.19 2kbs n MET 99 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60