#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbs s GLU 10 N 0.00 4.43 -0.31 1.64 2.02 -1.26 -3.99 118.70 121.23 2kbs s GLU 10 Ca 0.00 1.85 -0.11 0.00 0.02 0.00 0.00 54.97 56.73 2kbs s GLU 10 Cb 0.00 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 2kbs s GLU 10 CO 0.00 -0.24 0.18 0.21 0.02 0.00 0.00 175.26 175.44 2kbs s LYS 11 N 0.71 3.55 -0.03 1.61 2.20 0.34 -4.95 119.74 123.18 2kbs s LYS 11 Ca 0.58 -0.59 -0.24 0.00 -0.36 0.00 0.00 55.97 55.37 2kbs s LYS 11 Cb -0.31 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 2kbs s LYS 11 CO 0.31 -0.36 0.71 0.15 -0.36 0.00 0.00 175.35 175.81 2kbs s LYS 12 N 1.68 4.44 0.02 4.03 -0.14 -1.26 -1.11 119.74 127.40 2kbs s LYS 12 Ca 0.06 0.92 -0.01 0.00 -1.36 0.00 0.00 55.97 55.58 2kbs s LYS 12 Cb -0.17 -3.41 -0.01 0.00 -1.68 0.00 0.00 37.83 32.56 2kbs s LYS 12 CO 0.09 0.16 -0.00 0.08 -0.76 0.00 0.00 175.35 174.92 2kbs s VAL 13 N 0.44 0.10 -0.06 3.17 1.01 -0.64 -4.96 120.40 119.45 2kbs s VAL 13 Ca 0.37 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2kbs s VAL 13 Cb -0.19 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 35.94 2kbs s VAL 13 CO 0.20 -0.44 -0.13 -0.36 0.00 0.00 0.00 175.10 174.36 2kbs s PHE 14 N -1.32 1.48 -0.08 5.22 0.40 -1.26 -1.11 117.98 121.31 2kbs s PHE 14 Ca -0.14 -0.51 0.04 0.00 -0.60 0.00 0.00 56.93 55.72 2kbs s PHE 14 Cb -0.09 -1.06 0.00 0.00 0.51 0.00 0.00 43.02 42.38 2kbs s PHE 14 CO -0.01 -0.24 -0.22 0.42 0.70 0.00 0.00 175.22 175.87 2kbs s ILE 15 N 0.49 1.87 0.07 0.64 -1.09 -0.92 -4.92 121.20 117.34 2kbs s ILE 15 Ca -0.12 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.39 2kbs s ILE 15 Cb -0.14 -1.62 -0.04 0.00 -1.58 0.00 0.00 42.46 39.08 2kbs s ILE 15 CO 0.03 0.52 -0.06 -0.44 -1.23 0.00 0.00 174.94 173.76 2kbs s SER 16 N 0.28 0.84 -0.57 3.58 0.01 -1.25 -1.28 113.70 115.32 2kbs s SER 16 Ca -0.15 -0.85 -0.03 0.00 1.31 0.00 0.00 55.95 56.24 2kbs s SER 16 Cb -0.16 0.11 0.23 0.00 0.21 0.00 0.00 66.02 66.40 2kbs s SER 16 CO 0.07 -0.42 2.33 -0.11 0.41 0.00 0.00 173.24 175.52 2kbs n LEU 17 N 0.50 6.96 -4.48 2.44 7.94 -1.22 -4.84 117.00 124.31 2kbs n LEU 17 Ca -0.16 -4.19 -0.44 0.00 -1.11 0.00 0.00 56.01 50.11 2kbs n LEU 17 Cb 0.59 -1.12 -0.00 0.00 0.53 0.00 0.00 43.42 43.42 2kbs n LEU 17 CO 0.26 1.61 1.49 -0.69 -1.11 0.00 0.00 177.39 178.96 2kbs s VAL 18 N -3.44 4.87 0.00 1.96 1.01 -1.26 -4.70 120.40 118.84 2kbs s VAL 18 Ca 0.53 -2.50 0.00 0.00 0.00 0.00 0.00 61.98 60.01 2kbs s VAL 18 Cb 0.40 -4.96 0.00 0.00 0.00 0.00 0.00 36.38 31.82 2kbs s VAL 18 CO -0.21 -1.69 0.00 0.61 0.00 0.00 0.00 175.10 173.81 2kbs n GLY 19 N 4.35 -0.33 1.41 4.51 0.00 -1.26 -4.92 105.19 108.94 2kbs n GLY 19 Ca 0.39 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.05 -3.75 1.61 2.88 -1.26 -5.11 113.62 108.05 2kbs n SER 20 Ca 0.00 -2.01 -0.13 0.00 -1.33 0.00 0.00 58.87 55.40 2kbs n SER 20 Cb 0.00 -0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.36 2kbs n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbs s ARG 21 N -0.19 0.58 -0.07 -1.46 3.03 -1.26 -5.08 118.95 114.50 2kbs s ARG 21 Ca 0.18 0.13 -0.18 0.00 2.03 0.00 0.00 55.73 57.89 2kbs s ARG 21 Cb 0.22 0.27 -0.14 0.00 -1.03 0.00 0.00 34.95 34.27 2kbs s ARG 21 CO -0.09 -0.13 0.68 0.78 -1.13 0.00 0.00 175.30 175.41 2kbs h GLY 22 N 4.57 -0.19 0.00 3.88 0.00 -1.95 -3.41 103.07 105.96 2kbs h GLY 22 Ca -0.28 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2kbs h GLY 22 CO 0.35 -0.07 0.00 -0.10 0.00 0.00 0.00 176.54 176.72 2kbs n LEU 23 N -4.88 -1.07 0.00 3.11 7.94 -1.26 -4.54 117.00 116.30 2kbs n LEU 23 Ca -0.07 0.38 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 2kbs n LEU 23 Cb 0.24 1.16 0.00 0.00 0.53 0.00 0.00 43.42 45.35 2kbs n LEU 23 CO 0.21 -0.41 0.00 0.61 -1.11 0.00 0.00 177.39 176.69 2kbs n GLY 24 N 0.28 1.36 3.45 -3.96 0.00 -1.26 0.90 105.19 105.97 2kbs n GLY 24 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.75 4.39 0.07 0.00 0.01 -1.06 -4.99 113.70 109.36 2kbs s SER 26 Ca 0.02 -1.23 0.02 0.00 1.31 0.00 0.00 55.95 56.07 2kbs s SER 26 Cb -0.01 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 2kbs s SER 26 CO -0.11 -0.72 -0.08 0.27 0.41 0.00 0.00 173.24 173.00 2kbs s ILE 27 N -2.69 0.66 0.19 1.44 -4.36 -1.26 0.20 121.20 115.38 2kbs s ILE 27 Ca 0.33 -1.40 0.04 0.00 -0.26 0.00 0.00 60.65 59.35 2kbs s ILE 27 Cb 0.02 -1.03 -0.05 0.00 1.25 0.00 0.00 42.46 42.65 2kbs s ILE 27 CO 0.18 -0.54 -0.06 -0.94 0.24 0.00 0.00 174.94 173.83 2kbs s SER 28 N -2.11 1.82 -0.08 4.36 1.04 -0.78 -4.67 113.70 113.27 2kbs s SER 28 Ca -0.01 -1.11 -0.03 0.00 0.48 0.00 0.00 55.95 55.27 2kbs s SER 28 Cb -0.05 -0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 2kbs s SER 28 CO -0.01 -0.41 0.05 -0.94 0.98 0.00 0.00 173.24 172.91 2kbs s SER 29 N -3.24 5.62 0.74 7.02 1.04 -1.26 0.30 113.70 123.92 2kbs s SER 29 Ca 0.22 0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.85 2kbs s SER 29 Cb 0.04 -1.66 0.12 0.00 0.10 0.00 0.00 66.02 64.61 2kbs s SER 29 CO 0.05 0.37 1.03 -0.83 0.98 0.00 0.00 173.24 174.84 2kbs s GLY 30 N -1.05 1.76 0.00 7.32 0.00 -1.25 -4.95 107.32 109.15 2kbs s GLY 30 Ca 0.15 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.44 2kbs s GLY 30 CO 0.04 -0.90 0.00 -1.55 0.00 0.00 0.00 173.10 170.70 2kbs n PRO 31 N -2.95 -0.45 0.21 2.90 -0.04 -1.26 -4.64 135.00 128.77 2kbs n PRO 31 Ca 0.13 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.69 2kbs n PRO 31 Cb 0.60 0.00 0.22 0.00 -0.04 0.00 0.00 33.50 34.28 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 -1.21 0.23 -0.01 0.52 2.04 -1.99 -2.28 117.51 114.81 2kbs h ILE 32 Ca 0.00 -1.22 -0.13 0.00 1.00 0.00 0.00 64.86 64.51 2kbs h ILE 32 Cb 0.00 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 2kbs h ILE 32 CO 0.00 0.13 -0.60 1.56 0.00 0.00 0.00 178.15 179.24 2kbs h GLN 33 N 0.00 0.03 -1.25 2.37 1.08 -2.05 -3.37 115.11 111.92 2kbs h GLN 33 Ca -0.00 -0.02 -0.41 0.00 -1.45 0.00 0.00 58.65 56.77 2kbs h GLN 33 Cb 1.01 0.00 -0.30 0.00 -0.05 0.00 0.00 27.48 28.14 2kbs h GLN 33 CO 0.02 0.62 -0.90 1.63 -0.95 0.00 0.00 178.83 179.25 2kbs n LYS 34 N -3.84 0.87 -1.86 1.46 5.02 -1.21 -5.11 118.16 113.49 2kbs n LYS 34 Ca -0.01 -2.75 -0.43 0.00 -2.02 0.00 0.00 58.31 53.10 2kbs n LYS 34 Cb 0.60 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 2kbs n LYS 34 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2kbs s PRO 35 N -0.96 3.66 0.00 1.97 0.02 -0.86 -4.33 135.00 134.50 2kbs s PRO 35 Ca 0.34 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2kbs s PRO 35 Cb 0.26 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.61 2kbs s PRO 35 CO -0.11 -1.48 0.00 0.41 -0.33 0.00 0.00 177.00 175.49 2kbs n GLY 36 N 4.99 2.81 3.30 0.52 0.00 -1.26 -4.72 105.19 110.83 2kbs n GLY 36 Ca 0.22 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.38 3.42 0.46 -0.61 -1.09 -1.26 -3.75 121.20 115.99 2kbs s ILE 37 Ca 0.00 -0.63 0.08 0.00 -2.23 0.00 0.00 60.65 57.88 2kbs s ILE 37 Cb 0.00 -2.64 0.03 0.00 -1.58 0.00 0.00 42.46 38.27 2kbs s ILE 37 CO 0.00 0.31 0.62 -0.36 -1.23 0.00 0.00 174.94 174.27 2kbs s PHE 38 N 1.46 2.44 -0.17 3.97 0.40 0.15 -0.90 117.98 125.32 2kbs s PHE 38 Ca 0.04 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 2kbs s PHE 38 Cb -0.15 -2.32 0.01 0.00 0.51 0.00 0.00 43.02 41.07 2kbs s PHE 38 CO -0.02 -0.60 -0.18 0.42 0.70 0.00 0.00 175.22 175.54 2kbs s ILE 39 N -2.44 2.27 0.00 0.64 -1.09 -0.95 -1.87 121.20 117.75 2kbs s ILE 39 Ca 0.56 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 2kbs s ILE 39 Cb -0.09 -1.95 0.00 0.00 -1.58 0.00 0.00 42.46 38.84 2kbs s ILE 39 CO 0.34 0.53 0.00 -0.24 -1.23 0.00 0.00 174.94 174.34 2kbs n SER 40 N 4.46 0.00 -4.66 3.58 2.88 0.13 -3.55 113.62 116.47 2kbs n SER 40 Ca -0.20 -0.95 -0.42 0.00 -1.33 0.00 0.00 58.87 55.97 2kbs n SER 40 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2kbs n SER 40 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2kbs n HIS 41 N -1.36 1.75 -4.41 0.66 -0.00 -1.26 -3.98 115.22 106.62 2kbs n HIS 41 Ca 0.00 0.56 -0.27 0.00 -0.00 0.00 0.00 57.72 58.01 2kbs n HIS 41 Cb 0.00 -2.32 -0.12 0.00 -0.00 0.00 0.00 29.99 27.55 2kbs n HIS 41 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2kbs s VAL 42 N -1.18 2.38 0.09 3.57 -7.23 -1.26 -2.58 120.40 114.19 2kbs s VAL 42 Ca 0.60 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.74 2kbs s VAL 42 Cb -0.56 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 2kbs s VAL 42 CO 0.59 -0.08 0.35 -0.54 -0.31 0.00 0.00 175.10 175.11 2kbs s LYS 43 N -2.57 3.65 0.96 4.82 3.01 0.15 -4.96 119.74 124.79 2kbs s LYS 43 Ca 0.20 -0.01 -0.14 0.00 -1.01 0.00 0.00 55.97 55.01 2kbs s LYS 43 Cb -0.08 -2.96 0.17 0.00 -1.01 0.00 0.00 37.83 33.95 2kbs s LYS 43 CO 0.09 0.55 1.17 -1.25 0.51 0.00 0.00 175.35 176.42 2kbs s PRO 44 N -2.19 0.72 -1.53 -1.68 0.04 -1.26 -3.92 135.00 125.18 2kbs s PRO 44 Ca 0.35 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.48 2kbs s PRO 44 Cb -0.13 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2kbs s PRO 44 CO 0.20 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 175.21 2kbs n GLY 45 N -2.37 0.64 0.67 0.56 0.00 -1.26 -4.93 105.19 98.50 2kbs n GLY 45 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.26 2.17 0.03 1.61 3.41 -1.25 -5.04 113.62 113.29 2kbs n SER 46 Ca -0.17 -1.40 -0.19 0.00 -0.26 0.00 0.00 58.87 56.85 2kbs n SER 46 Cb 0.57 0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.53 -0.60 1.04 3.38 -0.04 -2.47 115.31 117.14 2kbs h LEU 47 Ca -0.08 -0.86 0.10 0.00 0.09 0.00 0.00 57.88 57.14 2kbs h LEU 47 Cb 0.23 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 2kbs h LEU 47 CO 0.13 1.34 0.19 -1.28 0.09 0.00 0.00 178.44 178.90 2kbs h SER 48 N -0.20 0.14 -0.07 -0.43 0.87 0.29 0.22 113.55 114.36 2kbs h SER 48 Ca -0.12 0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.40 2kbs h SER 48 Cb 1.52 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.57 2kbs h SER 48 CO 0.15 0.08 -0.42 0.00 -0.53 0.00 0.00 176.83 176.11 2kbs h ALA 49 N 1.44 0.81 -0.85 6.23 0.00 -1.75 0.24 119.26 125.37 2kbs h ALA 49 Ca 0.31 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kbs h ALA 49 Cb 0.42 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2kbs h ALA 49 CO -0.34 0.65 0.56 0.93 0.00 0.00 0.00 179.25 181.05 2kbs h GLU 50 N 0.49 1.13 0.00 0.00 4.39 -0.62 -2.32 114.58 117.64 2kbs h GLU 50 Ca 0.04 -0.07 -0.21 0.00 0.34 0.00 0.00 59.36 59.46 2kbs h GLU 50 Cb 0.93 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 2kbs h GLU 50 CO 0.08 0.75 -0.99 -0.39 -1.16 0.00 0.00 179.01 177.30 2kbs h VAL 51 N 1.16 1.64 0.00 3.13 -1.51 -0.89 -3.48 116.25 116.30 2kbs h VAL 51 Ca 0.31 -3.33 0.00 0.00 -1.23 0.00 0.00 66.70 62.45 2kbs h VAL 51 Cb -0.13 2.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 2kbs h VAL 51 CO -0.07 0.93 0.00 0.61 -1.23 0.00 0.00 177.57 177.82 2kbs n GLY 52 N 1.35 1.38 3.90 5.19 0.00 -0.67 -5.05 105.19 111.29 2kbs n GLY 52 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 3.43 0.00 0.99 1.43 0.74 -5.00 118.68 120.27 2kbs s LEU 53 Ca 0.00 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 2kbs s LEU 53 Cb 0.00 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.26 2kbs s LEU 53 CO 0.00 -0.77 0.00 1.21 0.23 0.00 0.00 176.35 177.02 2kbs n GLU 54 N -2.47 0.00 -1.71 1.70 2.13 -1.26 -4.67 120.64 114.36 2kbs n GLU 54 Ca 0.03 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.45 2kbs n GLU 54 Cb 0.55 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.29 2kbs n GLU 54 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2kbs n ILE 55 N -0.10 3.18 0.00 6.31 -0.00 -1.26 -3.14 119.36 124.36 2kbs n ILE 55 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.25 2kbs n ILE 55 Cb 0.00 -1.57 0.00 0.00 -0.00 0.00 0.00 39.64 38.07 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 0.83 1.33 3.91 7.39 0.00 -1.23 -4.97 105.19 112.45 2kbs n GLY 56 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.77 5.94 -0.13 1.61 1.01 -1.19 0.34 116.67 122.48 2kbs s ASP 57 Ca 0.00 0.86 -0.04 0.00 0.71 0.00 0.00 52.55 54.08 2kbs s ASP 57 Cb 0.00 -2.00 0.06 0.00 1.01 0.00 0.00 42.92 41.99 2kbs s ASP 57 CO 0.00 -0.83 0.15 -1.58 0.21 0.00 0.00 175.17 173.12 2kbs s GLN 58 N -4.89 0.07 -0.15 8.23 -0.44 -1.25 -2.25 119.66 118.98 2kbs s GLN 58 Ca 0.51 0.30 -0.29 0.00 -2.50 0.00 0.00 55.36 53.38 2kbs s GLN 58 Cb -0.10 -0.91 -0.04 0.00 -1.64 0.00 0.00 33.01 30.32 2kbs s GLN 58 CO 0.46 -0.49 1.60 0.42 0.50 0.00 0.00 175.29 177.78 2kbs s ILE 59 N 2.26 3.70 -1.54 -2.34 1.01 -0.08 -2.45 121.20 121.76 2kbs s ILE 59 Ca 0.04 0.82 0.15 0.00 0.00 0.00 0.00 60.65 61.66 2kbs s ILE 59 Cb -0.14 -3.63 0.33 0.00 0.01 0.00 0.00 42.46 39.02 2kbs s ILE 59 CO -0.08 -0.19 1.24 1.33 0.00 0.00 0.00 174.94 177.24 2kbs n VAL 60 N 5.99 0.65 -3.63 2.92 0.24 -0.47 -4.23 118.33 119.79 2kbs n VAL 60 Ca 0.18 -0.83 -0.03 0.00 -2.04 0.00 0.00 64.34 61.62 2kbs n VAL 60 Cb 0.44 0.79 -0.04 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 -1.11 0.15 -0.25 7.34 2.12 -0.82 -3.37 118.70 122.77 2kbs s GLU 61 Ca 0.28 0.04 -0.04 0.00 0.36 0.00 0.00 54.97 55.61 2kbs s GLU 61 Cb 0.16 0.07 0.14 0.00 0.26 0.00 0.00 34.13 34.75 2kbs s GLU 61 CO 0.21 -0.05 0.45 0.08 -0.54 0.00 0.00 175.26 175.42 2kbs s VAL 62 N -1.02 -0.72 -1.54 3.70 1.01 -0.87 -0.58 120.40 120.37 2kbs s VAL 62 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2kbs s VAL 62 Cb -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2kbs s VAL 62 CO -0.06 -0.05 0.00 -3.20 0.00 0.00 0.00 175.10 171.79 2kbs n ASN 63 N 5.39 -5.18 0.00 3.32 2.85 0.26 -0.80 115.26 121.10 2kbs n ASN 63 Ca -0.05 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 2kbs n ASN 63 Cb 0.50 -4.35 0.00 0.00 1.24 0.00 0.00 39.78 37.17 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 -0.91 3.06 3.69 8.20 0.00 -1.26 -4.99 105.19 112.97 2kbs n GLY 64 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.31 2.90 -0.16 1.61 1.01 0.02 -4.91 120.40 118.56 2kbs s VAL 65 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 2kbs s VAL 65 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 2kbs s VAL 65 CO 0.00 -0.00 1.84 -1.81 0.00 0.00 0.00 175.10 175.13 2kbs s ASP 66 N 2.56 6.17 -0.23 3.32 1.01 -1.26 -2.05 116.67 126.19 2kbs s ASP 66 Ca 0.76 1.92 0.09 0.00 0.71 0.00 0.00 52.55 56.04 2kbs s ASP 66 Cb -0.42 -2.53 0.62 0.00 1.01 0.00 0.00 42.92 41.61 2kbs s ASP 66 CO 0.34 -1.39 1.55 0.49 0.21 0.00 0.00 175.17 176.37 2kbs n PHE 67 N 9.04 1.84 -0.03 4.23 3.01 -1.22 -4.19 117.46 130.14 2kbs n PHE 67 Ca 0.22 -0.80 -0.10 0.00 1.01 0.00 0.00 57.45 57.78 2kbs n PHE 67 Cb 0.44 -0.52 -0.08 0.00 -0.01 0.00 0.00 39.48 39.32 2kbs n PHE 67 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2kbs h SER 68 N 2.62 -0.05 -0.38 4.37 0.02 -1.87 -3.36 113.55 114.88 2kbs h SER 68 Ca 0.12 -0.54 -0.18 0.00 -0.84 0.00 0.00 61.79 60.34 2kbs h SER 68 Cb 1.87 0.01 -0.11 0.00 0.14 0.00 0.00 62.40 64.31 2kbs h SER 68 CO 0.50 0.67 -0.02 -3.20 -1.14 0.00 0.00 176.83 173.64 2kbs n ASN 69 N -4.75 2.73 -4.82 3.07 5.15 -1.26 -4.67 115.26 110.71 2kbs n ASN 69 Ca -0.07 -3.67 -0.34 0.00 -0.60 0.00 0.00 54.58 49.90 2kbs n ASN 69 Cb 0.29 -0.64 -0.06 0.00 -0.53 0.00 0.00 39.78 38.84 2kbs n ASN 69 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2kbs s LEU 70 N -3.20 4.15 0.61 1.20 2.96 -1.26 -5.07 118.68 118.07 2kbs s LEU 70 Ca 0.45 1.52 -0.08 0.00 -0.22 0.00 0.00 54.13 55.80 2kbs s LEU 70 Cb 0.40 -4.08 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 2kbs s LEU 70 CO 0.02 -0.17 0.96 -0.62 -1.32 0.00 0.00 176.35 175.22 2kbs s ASP 71 N -1.98 5.77 0.09 3.68 2.15 -1.26 -4.69 116.67 120.43 2kbs s ASP 71 Ca 0.53 0.99 -0.23 0.00 0.43 0.00 0.00 52.55 54.26 2kbs s ASP 71 Cb -0.13 -1.99 -0.14 0.00 -0.30 0.00 0.00 42.92 40.36 2kbs s ASP 71 CO 0.18 -1.03 1.73 -0.74 -0.17 0.00 0.00 175.17 175.14 2kbs h HIS 72 N -0.27 -0.06 -0.77 -5.34 2.76 -1.98 -1.88 115.15 107.62 2kbs h HIS 72 Ca -0.45 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 57.74 2kbs h HIS 72 Cb 1.24 0.02 -0.04 0.00 1.55 0.00 0.00 27.41 30.18 2kbs h HIS 72 CO 0.53 -0.04 0.51 0.87 -1.30 0.00 0.00 177.93 178.50 2kbs h LYS 73 N -0.05 0.98 -0.62 5.26 1.57 -1.99 -2.11 116.57 119.60 2kbs h LYS 73 Ca 0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2kbs h LYS 73 Cb 0.05 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 2kbs h LYS 73 CO -0.02 0.65 0.34 0.93 -0.57 0.00 0.00 179.45 180.78 2kbs h GLU 74 N 1.01 0.87 -0.34 3.15 4.39 -1.83 0.19 114.58 122.01 2kbs h GLU 74 Ca 0.29 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 2kbs h GLU 74 Cb -0.06 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 2kbs h GLU 74 CO -0.07 0.66 0.19 0.00 -1.16 0.00 0.00 179.01 178.63 2kbs h ALA 75 N 1.16 0.44 -0.31 3.43 0.00 -0.71 -1.70 119.26 121.57 2kbs h ALA 75 Ca 0.22 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2kbs h ALA 75 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2kbs h ALA 75 CO -0.03 -0.03 -0.12 0.28 0.00 0.00 0.00 179.25 179.35 2kbs h VAL 76 N 0.43 1.29 0.34 0.00 2.07 -1.20 -2.10 116.25 117.07 2kbs h VAL 76 Ca 0.12 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.45 2kbs h VAL 76 Cb 0.06 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2kbs h VAL 76 CO -0.02 0.38 -0.39 -1.13 0.02 0.00 0.00 177.57 176.44 2kbs h ASN 77 N 0.39 -1.06 -0.52 0.57 -1.24 -0.49 0.34 115.58 113.57 2kbs h ASN 77 Ca 0.07 0.10 0.03 0.00 0.71 0.00 0.00 56.30 57.21 2kbs h ASN 77 Cb 0.63 0.37 -0.04 0.00 0.73 0.00 0.00 38.32 40.00 2kbs h ASN 77 CO 0.04 -0.52 0.29 -0.37 -1.29 0.00 0.00 177.43 175.58 2kbs h VAL 78 N -0.76 1.01 0.00 2.57 -1.51 -1.36 0.48 116.25 116.68 2kbs h VAL 78 Ca -0.02 -0.20 -0.04 0.00 -1.23 0.00 0.00 66.70 65.21 2kbs h VAL 78 Cb 0.70 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.24 2kbs h VAL 78 CO -0.09 0.11 -0.19 -0.07 -1.23 0.00 0.00 177.57 176.10 2kbs h LEU 79 N 0.58 0.00 0.11 4.19 -0.00 -1.10 -1.86 115.31 117.22 2kbs h LEU 79 Ca 0.22 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.82 2kbs h LEU 79 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2kbs h LEU 79 CO -0.12 0.19 -1.38 0.11 -0.00 0.00 0.00 178.44 177.23 2kbs h LYS 80 N 0.00 0.22 0.04 1.13 6.56 0.85 -3.39 116.57 121.97 2kbs h LYS 80 Ca -0.00 -0.38 -0.00 0.00 -1.06 0.00 0.00 60.65 59.21 2kbs h LYS 80 Cb 0.33 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 2kbs h LYS 80 CO 0.02 1.11 -0.02 1.03 -2.06 0.00 0.00 179.45 179.54 2kbs h SER 81 N 0.06 -0.04 -3.32 0.86 0.87 0.33 -3.44 113.55 108.88 2kbs h SER 81 Ca -0.18 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.85 2kbs h SER 81 Cb 1.98 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.95 2kbs h SER 81 CO 0.17 -0.02 0.50 -0.44 -0.53 0.00 0.00 176.83 176.51 2kbs s SER 82 N -2.54 7.18 -0.15 6.23 0.01 -0.74 -4.96 113.70 118.73 2kbs s SER 82 Ca -0.01 1.95 -0.26 0.00 1.31 0.00 0.00 55.95 58.95 2kbs s SER 82 Cb 0.00 -2.58 -0.23 0.00 0.21 0.00 0.00 66.02 63.42 2kbs s SER 82 CO 0.02 -0.37 0.60 0.03 0.41 0.00 0.00 173.24 173.93 2kbs h ARG 83 N 6.46 0.00 -3.69 12.44 -0.00 -1.85 -3.41 114.38 124.32 2kbs h ARG 83 Ca -0.42 0.00 -0.77 0.00 -0.50 0.00 0.00 59.98 58.29 2kbs h ARG 83 Cb 1.21 0.00 -0.28 0.00 0.00 0.00 0.00 29.97 30.90 2kbs h ARG 83 CO 0.78 0.94 0.11 -1.12 0.00 0.00 0.00 179.97 180.68 2kbs s SER 84 N -6.32 6.65 0.03 7.04 0.01 -1.26 -3.41 113.70 116.43 2kbs s SER 84 Ca -0.20 -3.02 0.08 0.00 1.31 0.00 0.00 55.95 54.12 2kbs s SER 84 Cb -0.01 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 2kbs s SER 84 CO 0.63 -0.44 -0.25 -1.48 0.41 0.00 0.00 173.24 172.11 2kbs s LEU 85 N -0.34 2.13 -0.31 2.44 0.05 -0.40 -4.97 118.68 117.27 2kbs s LEU 85 Ca 0.22 -0.53 -0.19 0.00 0.05 0.00 0.00 54.13 53.68 2kbs s LEU 85 Cb -0.11 -1.21 -0.01 0.00 -2.05 0.00 0.00 46.19 42.81 2kbs s LEU 85 CO -0.08 0.25 0.55 -0.89 -0.55 0.00 0.00 176.35 175.63 2kbs s THR 86 N -0.73 5.00 -0.15 5.48 2.01 -1.26 -2.15 115.64 123.83 2kbs s THR 86 Ca 0.10 0.64 -0.03 0.00 0.31 0.00 0.00 61.69 62.71 2kbs s THR 86 Cb -0.10 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2kbs s THR 86 CO 0.01 -0.12 -0.04 0.27 -0.69 0.00 0.00 174.62 174.04 2kbs s ILE 87 N 2.46 3.84 -0.45 1.82 -4.36 -0.27 0.89 121.20 125.15 2kbs s ILE 87 Ca 0.22 -0.38 -0.11 0.00 -0.26 0.00 0.00 60.65 60.12 2kbs s ILE 87 Cb -0.15 -2.68 0.09 0.00 1.25 0.00 0.00 42.46 40.97 2kbs s ILE 87 CO 0.12 0.50 0.32 -0.44 0.24 0.00 0.00 174.94 175.68 2kbs s SER 88 N 0.30 5.77 0.06 4.36 0.01 0.25 -1.63 113.70 122.82 2kbs s SER 88 Ca -0.04 -1.58 0.05 0.00 1.31 0.00 0.00 55.95 55.69 2kbs s SER 88 Cb -0.14 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 2kbs s SER 88 CO 0.03 -0.61 -0.06 -0.51 0.41 0.00 0.00 173.24 172.50 2kbs s ILE 89 N 1.46 3.68 -0.30 1.44 -1.16 -0.26 -1.37 121.20 124.68 2kbs s ILE 89 Ca 0.04 -0.98 -0.02 0.00 -0.51 0.00 0.00 60.65 59.17 2kbs s ILE 89 Cb -0.24 -2.68 0.05 0.00 0.61 0.00 0.00 42.46 40.19 2kbs s ILE 89 CO 0.02 0.23 0.00 -0.69 -2.81 0.00 0.00 174.94 171.70 2kbs s VAL 90 N -1.15 3.03 0.31 4.00 1.01 -1.02 0.13 120.40 126.70 2kbs s VAL 90 Ca 0.21 -1.37 -0.29 0.00 0.00 0.00 0.00 61.98 60.53 2kbs s VAL 90 Cb -0.11 -2.74 -0.13 0.00 0.00 0.00 0.00 36.38 33.40 2kbs s VAL 90 CO 0.13 -0.11 1.32 0.00 0.00 0.00 0.00 175.10 176.44 2kbs n ALA 91 N 4.63 1.24 0.00 5.51 0.00 -1.26 -1.47 120.51 129.17 2kbs n ALA 91 Ca -0.13 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2kbs n ALA 91 Cb 0.43 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 0.82 0.00 0.33 0.00 0.00 -1.24 -4.82 120.51 115.59 2kbs n ALA 92 Ca 0.07 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.73 2kbs n ALA 92 Cb 0.35 0.00 1.18 0.00 0.00 0.00 0.00 19.45 20.98 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 -1.44 -2.76 119.26 116.05 2kbs h ALA 93 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 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 -1.64 0.41 0.00 0.00 0.00 179.25 178.02 2kbs n GLY 94 N -1.07 -0.45 0.36 0.00 0.00 -1.07 -4.60 105.19 98.36 2kbs n GLY 94 Ca -0.03 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.34 1.61 3.08 0.19 -1.56 114.38 117.84 2kbs h ARG 95 Ca -0.25 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 59.84 2kbs h ARG 95 Cb 1.57 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.45 2kbs h ARG 95 CO 0.01 0.31 -0.09 1.49 -1.07 0.00 0.00 179.97 180.63 2kbs h GLU 96 N 0.48 -0.00 0.00 0.04 4.22 -1.79 0.24 114.58 117.76 2kbs h GLU 96 Ca 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.76 2kbs h GLU 96 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2kbs h GLU 96 CO -0.10 -0.00 -0.00 -0.07 -2.18 0.00 0.00 179.01 176.65 2kbs h LEU 97 N -0.00 -0.00 -0.49 1.64 3.38 -1.68 -3.31 115.31 114.84 2kbs h LEU 97 Ca 0.16 -0.57 0.09 0.00 0.09 0.00 0.00 57.88 57.65 2kbs h LEU 97 Cb 0.25 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 2kbs h LEU 97 CO -0.35 0.57 -0.32 -0.26 0.09 0.00 0.00 178.44 178.17 2kbs h PHE 98 N -0.58 -0.89 -2.86 1.13 0.04 -1.07 -3.37 116.94 109.33 2kbs h PHE 98 Ca -0.00 0.06 -0.56 0.00 2.80 0.00 0.00 57.97 60.27 2kbs h PHE 98 Cb 0.58 0.46 -0.03 0.00 2.20 0.00 0.00 35.95 39.15 2kbs h PHE 98 CO 0.13 -0.38 0.96 -1.64 -0.60 0.00 0.00 178.31 176.78 2kbs s MET 99 N -6.00 4.17 0.00 1.51 -1.94 0.05 -5.09 119.30 112.00 2kbs s MET 99 Ca -0.15 1.73 0.00 0.00 -1.71 0.00 0.00 55.69 55.56 2kbs s MET 99 Cb 0.15 -3.83 0.00 0.00 2.01 0.00 0.00 34.83 33.15 2kbs s MET 99 CO 0.69 -0.80 0.00 -2.37 -0.01 0.00 0.00 175.02 172.52