#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eeh s SER 2 N 0.00 2.10 0.04 1.61 0.15 -1.26 -5.13 113.70 111.21 2eeh s SER 2 Ca 0.00 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.36 2eeh s SER 2 Cb 0.00 -0.87 -0.04 0.00 -1.71 0.00 0.00 66.02 63.40 2eeh s SER 2 CO 0.00 -0.06 0.02 -0.55 1.20 0.00 0.00 173.24 173.84 2eeh s SER 3 N 1.36 5.20 0.00 5.45 0.15 -1.26 -5.07 113.70 119.53 2eeh s SER 3 Ca -0.01 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2eeh s SER 3 Cb -0.14 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 2eeh s SER 3 CO -0.05 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2eeh n GLY 4 N 0.94 -0.11 2.05 9.45 0.00 -1.26 -5.08 105.19 111.18 2eeh n GLY 4 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2eeh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 5 N -0.90 -1.06 0.00 1.61 2.88 -1.26 -5.10 113.62 109.79 2eeh n SER 5 Ca 0.00 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2eeh n SER 5 Cb 0.00 1.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 2eeh n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2eeh n SER 6 N -3.24 0.00 -3.39 -3.46 3.41 -1.26 -5.09 113.62 100.59 2eeh n SER 6 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 2eeh n SER 6 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2eeh n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eeh n GLY 7 N 0.00 0.01 0.04 5.00 0.00 -1.26 -4.95 105.19 104.04 2eeh n GLY 7 Ca 0.00 0.83 -0.02 0.00 0.00 0.00 0.00 46.02 46.82 2eeh n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2eeh h SER 8 N 2.54 0.00 -4.90 1.61 0.02 -1.96 -3.51 113.55 107.35 2eeh h SER 8 Ca -0.38 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2eeh h SER 8 Cb 1.26 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.68 2eeh h SER 8 CO 0.16 0.45 -1.51 0.47 -1.14 0.00 0.00 176.83 175.26 2eeh n ASP 9 N -3.81 -0.72 -4.33 3.07 9.92 -1.26 -5.05 116.55 114.37 2eeh n ASP 9 Ca -0.03 1.29 -0.17 0.00 -0.53 0.00 0.00 54.79 55.34 2eeh n ASP 9 Cb 0.13 -5.09 -0.10 0.00 -0.64 0.00 0.00 41.12 35.42 2eeh n ASP 9 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2eeh s ILE 10 N -0.69 1.45 0.22 0.53 1.01 -1.23 -5.03 121.20 117.46 2eeh s ILE 10 Ca -0.27 -2.13 -0.07 0.00 0.00 0.00 0.00 60.65 58.18 2eeh s ILE 10 Cb 0.02 -2.08 -0.06 0.00 0.01 0.00 0.00 42.46 40.34 2eeh s ILE 10 CO 0.76 -0.56 0.50 -0.63 0.00 0.00 0.00 174.94 175.02 2eeh s ILE 11 N -3.15 5.02 -0.10 2.92 -1.09 -1.26 -3.57 121.20 119.98 2eeh s ILE 11 Ca 0.23 0.24 -0.01 0.00 -2.23 0.00 0.00 60.65 58.87 2eeh s ILE 11 Cb 0.02 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 2eeh s ILE 11 CO 0.06 -0.11 -0.03 -1.00 -1.23 0.00 0.00 174.94 172.63 2eeh s HIS 12 N -1.85 3.06 -0.16 3.97 3.76 -1.06 -4.97 115.29 118.04 2eeh s HIS 12 Ca 0.45 0.03 -0.03 0.00 -0.15 0.00 0.00 55.06 55.35 2eeh s HIS 12 Cb -0.11 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 2eeh s HIS 12 CO 0.24 0.31 -0.04 -1.12 -0.85 0.00 0.00 174.74 173.28 2eeh s SER 13 N -0.57 4.71 -0.00 1.40 0.01 -1.26 -3.67 113.70 114.31 2eeh s SER 13 Ca 0.09 -0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.10 2eeh s SER 13 Cb -0.12 -1.77 0.01 0.00 0.21 0.00 0.00 66.02 64.35 2eeh s SER 13 CO 0.02 0.15 0.17 0.54 0.41 0.00 0.00 173.24 174.53 2eeh s VAL 14 N 0.46 0.07 -0.27 3.43 0.11 -1.21 -4.95 120.40 118.04 2eeh s VAL 14 Ca -0.04 -0.61 -0.00 0.00 -2.93 0.00 0.00 61.98 58.40 2eeh s VAL 14 Cb -0.14 -0.46 0.08 0.00 -1.53 0.00 0.00 36.38 34.33 2eeh s VAL 14 CO 0.03 -0.34 0.03 -0.13 -3.33 0.00 0.00 175.10 171.37 2eeh s ARG 15 N -1.28 1.07 -0.31 1.54 0.52 -1.25 -3.10 118.95 116.14 2eeh s ARG 15 Ca -0.14 -1.03 -0.15 0.00 -0.52 0.00 0.00 55.73 53.89 2eeh s ARG 15 Cb -0.07 -2.35 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 2eeh s ARG 15 CO 0.02 -0.80 0.36 0.08 0.02 0.00 0.00 175.30 174.98 2eeh s VAL 16 N 1.50 5.18 0.51 3.52 1.01 -0.96 -4.58 120.40 126.59 2eeh s VAL 16 Ca 0.03 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.16 2eeh s VAL 16 Cb -0.18 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2eeh s VAL 16 CO -0.14 0.03 0.94 -1.61 0.00 0.00 0.00 175.10 174.32 2eeh s GLU 17 N 2.04 3.82 -0.08 2.72 2.02 -1.26 -2.75 118.70 125.20 2eeh s GLU 17 Ca 0.13 0.77 -0.30 0.00 0.02 0.00 0.00 54.97 55.59 2eeh s GLU 17 Cb -0.16 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 2eeh s GLU 17 CO 0.11 -0.28 1.38 -1.59 0.02 0.00 0.00 175.26 174.90 2eeh s LYS 18 N -4.30 4.25 0.18 1.61 -2.85 -1.26 -4.93 119.74 112.43 2eeh s LYS 18 Ca 0.56 1.86 0.05 0.00 -1.00 0.00 0.00 55.97 57.44 2eeh s LYS 18 Cb -0.10 -3.74 -0.04 0.00 -2.06 0.00 0.00 37.83 31.89 2eeh s LYS 18 CO 0.37 -0.67 0.14 -1.54 0.10 0.00 0.00 175.35 173.75 2eeh s SER 19 N 2.20 5.49 -1.11 0.03 1.04 -1.26 -5.01 113.70 115.09 2eeh s SER 19 Ca 0.61 -0.16 -0.18 0.00 0.48 0.00 0.00 55.95 56.70 2eeh s SER 19 Cb -0.27 -1.42 -0.06 0.00 0.10 0.00 0.00 66.02 64.37 2eeh s SER 19 CO 0.22 0.05 2.06 -0.81 0.98 0.00 0.00 173.24 175.74 2eeh n PRO 20 N -0.47 2.16 -4.02 4.02 -0.04 -1.26 -4.80 135.00 130.59 2eeh n PRO 20 Ca -0.08 -2.24 -0.09 0.00 -0.04 0.00 0.00 63.50 61.04 2eeh n PRO 20 Cb 0.55 -3.12 -0.06 0.00 -0.04 0.00 0.00 33.50 30.83 2eeh n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eeh s ALA 21 N 4.32 -0.10 -0.12 0.55 0.00 -1.26 -5.09 121.76 120.06 2eeh s ALA 21 Ca 0.53 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 51.42 2eeh s ALA 21 Cb 0.14 1.10 -0.09 0.00 0.00 0.00 0.00 23.12 24.26 2eeh s ALA 21 CO 0.02 -0.82 0.22 0.78 0.00 0.00 0.00 175.76 175.96 2eeh h GLY 22 N 2.30 0.00 -4.09 0.00 0.00 -2.05 -3.46 103.07 95.77 2eeh h GLY 22 Ca -0.27 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.50 2eeh h GLY 22 CO 0.37 0.00 -0.15 0.50 0.00 0.00 0.00 176.54 177.27 2eeh s ARG 23 N -1.87 3.85 0.83 4.80 0.52 -1.26 -5.05 118.95 120.77 2eeh s ARG 23 Ca -0.09 0.31 -0.15 0.00 -0.52 0.00 0.00 55.73 55.29 2eeh s ARG 23 Cb -0.00 -2.86 -0.00 0.00 0.52 0.00 0.00 34.95 32.61 2eeh s ARG 23 CO 0.26 0.45 0.49 1.28 0.02 0.00 0.00 175.30 177.80 2eeh n LEU 24 N 0.50 0.44 0.19 2.53 7.99 -1.26 -4.77 117.00 122.62 2eeh n LEU 24 Ca -0.04 0.47 0.12 0.00 -0.01 0.00 0.00 56.01 56.55 2eeh n LEU 24 Cb 0.52 -1.22 0.63 0.00 -0.11 0.00 0.00 43.42 43.24 2eeh n LEU 24 CO 0.44 -3.32 0.88 1.23 -1.51 0.00 0.00 177.39 175.11 2eeh h GLY 25 N -0.93 0.00 -3.46 -0.72 0.00 -1.96 -3.41 103.07 92.59 2eeh h GLY 25 Ca -0.45 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.38 2eeh h GLY 25 CO 0.39 0.00 -0.78 -0.11 0.00 0.00 0.00 176.54 176.04 2eeh s PHE 26 N -3.60 1.72 -0.15 5.60 -0.71 -1.26 -0.41 117.98 119.17 2eeh s PHE 26 Ca -0.03 -0.48 -0.05 0.00 -1.04 0.00 0.00 56.93 55.33 2eeh s PHE 26 Cb 0.07 -0.87 -0.03 0.00 -1.21 0.00 0.00 43.02 40.97 2eeh s PHE 26 CO 0.21 0.27 0.02 0.45 -1.34 0.00 0.00 175.22 174.83 2eeh s SER 27 N -2.54 5.30 0.20 1.98 0.15 0.51 -4.95 113.70 114.34 2eeh s SER 27 Ca 0.13 0.05 0.08 0.00 0.70 0.00 0.00 55.95 56.91 2eeh s SER 27 Cb -0.06 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 2eeh s SER 27 CO 0.05 0.23 -0.03 0.68 1.20 0.00 0.00 173.24 175.38 2eeh s VAL 28 N -0.00 3.51 0.15 4.45 -7.23 -1.26 0.18 120.40 120.20 2eeh s VAL 28 Ca 0.04 -1.60 0.06 0.00 -1.81 0.00 0.00 61.98 58.67 2eeh s VAL 28 Cb -0.13 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 2eeh s VAL 28 CO 0.02 -0.17 -0.13 0.00 -0.31 0.00 0.00 175.10 174.50 2eeh s ARG 29 N -3.08 1.10 2.54 4.82 1.70 -0.09 -4.78 118.95 121.17 2eeh s ARG 29 Ca 0.28 -1.37 0.00 0.00 -0.47 0.00 0.00 55.73 54.17 2eeh s ARG 29 Cb -0.08 -0.89 0.00 0.00 -0.57 0.00 0.00 34.95 33.41 2eeh s ARG 29 CO 0.18 0.15 0.00 0.41 -1.08 0.00 0.00 175.30 174.96 2eeh n GLY 30 N 0.15 0.50 0.00 3.88 0.00 -1.26 -3.20 105.19 105.25 2eeh n GLY 30 Ca -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2eeh n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eeh n GLY 31 N 0.00 1.34 3.19 -0.02 0.00 -1.26 -4.84 105.19 103.60 2eeh n GLY 31 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 2eeh n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 32 N 0.00 -6.58 0.00 1.61 2.88 -1.24 -4.60 113.62 105.70 2eeh n SER 32 Ca 0.00 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2eeh n SER 32 Cb 0.00 -2.58 0.00 0.00 -0.75 0.00 0.00 64.21 60.88 2eeh n SER 32 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2eeh n GLU 33 N 0.53 0.00 -0.46 -1.46 0.28 -1.26 -4.89 120.64 113.38 2eeh n GLU 33 Ca -0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.03 2eeh n GLU 33 Cb 0.49 -0.23 0.07 0.00 1.43 0.00 0.00 31.44 33.20 2eeh n GLU 33 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2eeh n HIS 34 N -2.58 0.00 -1.50 -1.84 8.25 -1.26 -4.97 115.22 111.33 2eeh n HIS 34 Ca 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 2eeh n HIS 34 Cb 0.17 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2eeh n HIS 34 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2eeh n GLY 35 N -0.52 0.67 3.71 -1.41 0.00 -1.26 -5.10 105.19 101.28 2eeh n GLY 35 Ca 0.07 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 2eeh n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eeh s LEU 36 N -1.08 2.22 0.00 0.99 1.43 -1.26 -4.72 118.68 116.26 2eeh s LEU 36 Ca 0.00 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.43 2eeh s LEU 36 Cb 0.00 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.64 2eeh s LEU 36 CO 0.00 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.31 2eeh n GLY 37 N -1.19 1.99 3.83 -3.19 0.00 -1.26 -2.05 105.19 103.31 2eeh n GLY 37 Ca -0.16 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 2eeh n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eeh s ILE 38 N 2.97 5.40 0.23 -0.61 -1.09 -1.12 -3.99 121.20 122.99 2eeh s ILE 38 Ca 0.00 0.34 0.11 0.00 -2.23 0.00 0.00 60.65 58.86 2eeh s ILE 38 Cb 0.00 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 37.35 2eeh s ILE 38 CO 0.00 0.55 -0.19 -0.36 -1.23 0.00 0.00 174.94 173.71 2eeh s PHE 39 N -0.61 2.11 0.13 3.97 0.40 -1.19 -0.30 117.98 122.48 2eeh s PHE 39 Ca 0.15 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 55.99 2eeh s PHE 39 Cb -0.13 -0.96 -0.06 0.00 0.51 0.00 0.00 43.02 42.38 2eeh s PHE 39 CO 0.04 0.56 0.43 0.08 0.70 0.00 0.00 175.22 177.03 2eeh s VAL 40 N -2.40 5.07 0.00 -0.44 1.01 -0.09 -0.91 120.40 122.64 2eeh s VAL 40 Ca 0.25 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2eeh s VAL 40 Cb -0.05 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2eeh s VAL 40 CO 0.11 0.16 0.00 -1.54 0.00 0.00 0.00 175.10 173.83 2eeh n SER 41 N 0.50 0.14 -4.09 3.32 3.41 0.48 -4.17 113.62 113.22 2eeh n SER 41 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.46 2eeh n SER 41 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 2eeh n SER 41 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2eeh s LYS 42 N -1.99 0.60 -0.26 4.33 2.47 -0.78 -4.68 119.74 119.43 2eeh s LYS 42 Ca 0.00 -1.02 -0.04 0.00 -1.56 0.00 0.00 55.97 53.36 2eeh s LYS 42 Cb 0.00 -0.06 0.09 0.00 -1.46 0.00 0.00 37.83 36.39 2eeh s LYS 42 CO 0.00 -0.03 0.11 0.08 0.16 0.00 0.00 175.35 175.67 2eeh s VAL 43 N -2.69 0.09 -0.21 4.02 1.01 -1.26 0.19 120.40 121.54 2eeh s VAL 43 Ca -0.00 -0.68 -0.41 0.00 0.00 0.00 0.00 61.98 60.88 2eeh s VAL 43 Cb -0.01 -0.97 -0.18 0.00 0.00 0.00 0.00 36.38 35.22 2eeh s VAL 43 CO -0.04 -0.58 1.51 1.21 0.00 0.00 0.00 175.10 177.20 2eeh n GLU 44 N 5.19 0.65 -0.94 2.72 2.13 0.46 -4.82 120.64 126.03 2eeh n GLU 44 Ca -0.06 0.24 -0.30 0.00 0.66 0.00 0.00 57.16 57.69 2eeh n GLU 44 Cb 0.44 -1.83 0.16 0.00 0.27 0.00 0.00 31.44 30.48 2eeh n GLU 44 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2eeh s GLU 45 N 2.16 1.04 -0.59 5.31 -1.05 -1.26 -2.83 118.70 121.48 2eeh s GLU 45 Ca 0.96 1.15 0.00 0.00 -0.15 0.00 0.00 54.97 56.93 2eeh s GLU 45 Cb -1.20 -1.76 0.00 0.00 -0.44 0.00 0.00 34.13 30.74 2eeh s GLU 45 CO 0.65 -2.49 0.00 0.41 0.95 0.00 0.00 175.26 174.78 2eeh n GLY 46 N -0.38 -0.29 3.43 -3.83 0.00 -1.26 -4.89 105.19 97.97 2eeh n GLY 46 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 2eeh n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eeh n SER 47 N -1.30 2.26 0.06 1.61 3.41 -1.13 -5.03 113.62 113.50 2eeh n SER 47 Ca -0.08 -2.55 -0.08 0.00 -0.26 0.00 0.00 58.87 55.91 2eeh n SER 47 Cb 0.49 -0.19 0.06 0.00 -0.26 0.00 0.00 64.21 64.32 2eeh n SER 47 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2eeh h SER 48 N 0.36 0.42 0.00 4.04 0.87 -1.90 -2.88 113.55 114.45 2eeh h SER 48 Ca -0.28 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2eeh h SER 48 Cb 1.12 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2eeh h SER 48 CO 0.42 0.97 0.00 0.00 -0.53 0.00 0.00 176.83 177.69 2eeh n ALA 49 N -2.50 -0.47 -0.53 6.23 0.00 -1.26 0.19 120.51 122.18 2eeh n ALA 49 Ca -0.03 0.00 0.44 0.00 0.00 0.00 0.00 53.44 53.85 2eeh n ALA 49 Cb 0.67 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.90 2eeh n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2eeh h GLU 50 N 0.00 0.01 0.25 0.00 4.81 -1.63 1.53 114.58 119.54 2eeh h GLU 50 Ca 0.00 -0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 2eeh h GLU 50 Cb 0.00 -0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.41 2eeh h GLU 50 CO 0.00 0.01 -1.53 0.00 -0.73 0.00 0.00 179.01 176.76 2eeh h ARG 51 N 0.01 0.52 0.00 1.92 3.08 -1.23 -3.21 114.38 115.48 2eeh h ARG 51 Ca 0.77 -0.89 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2eeh h ARG 51 Cb 3.04 0.33 -0.00 0.00 0.08 0.00 0.00 29.97 33.42 2eeh h ARG 51 CO -0.04 1.43 -0.04 0.00 -1.07 0.00 0.00 179.97 180.24 2eeh h ALA 52 N 0.15 1.13 0.00 0.04 0.00 1.32 -3.45 119.26 118.46 2eeh h ALA 52 Ca -0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2eeh h ALA 52 Cb 2.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.95 2eeh h ALA 52 CO 0.26 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2eeh n GLY 53 N -0.67 1.49 3.69 0.00 0.00 0.51 -4.15 105.19 106.07 2eeh n GLY 53 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2eeh n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eeh s LEU 54 N 0.00 4.34 0.00 0.99 2.96 -0.73 -4.92 118.68 121.32 2eeh s LEU 54 Ca 0.00 2.27 0.01 0.00 -0.22 0.00 0.00 54.13 56.19 2eeh s LEU 54 Cb 0.00 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.12 2eeh s LEU 54 CO 0.00 -0.76 0.02 0.00 -1.32 0.00 0.00 176.35 174.30 2eeh s VAL 56 N -1.85 4.74 0.00 0.00 1.01 -1.26 -4.31 120.40 118.73 2eeh s VAL 56 Ca 0.03 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2eeh s VAL 56 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2eeh s VAL 56 CO 0.02 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2eeh n GLY 57 N 1.29 0.84 3.35 4.51 0.00 -1.26 -5.06 105.19 108.86 2eeh n GLY 57 Ca -0.08 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 2eeh n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2eeh s ASP 58 N -2.28 2.62 -0.34 1.61 1.01 -1.26 -5.02 116.67 113.00 2eeh s ASP 58 Ca 0.00 -0.99 0.00 0.00 0.71 0.00 0.00 52.55 52.27 2eeh s ASP 58 Cb 0.00 -0.14 0.11 0.00 1.01 0.00 0.00 42.92 43.89 2eeh s ASP 58 CO 0.00 -0.14 0.13 -0.75 0.21 0.00 0.00 175.17 174.61 2eeh s LYS 59 N -3.50 0.92 -0.24 8.23 2.20 -1.26 -0.92 119.74 125.17 2eeh s LYS 59 Ca 0.22 -1.37 -0.29 0.00 -0.36 0.00 0.00 55.97 54.16 2eeh s LYS 59 Cb -0.02 -2.19 -0.02 0.00 -1.51 0.00 0.00 37.83 34.09 2eeh s LYS 59 CO 0.07 -1.02 1.62 0.42 -0.36 0.00 0.00 175.35 176.08 2eeh s ILE 60 N 1.25 3.68 -0.13 5.43 1.01 0.59 -3.40 121.20 129.64 2eeh s ILE 60 Ca 0.12 0.76 0.09 0.00 0.00 0.00 0.00 60.65 61.62 2eeh s ILE 60 Cb -0.19 -3.72 -0.23 0.00 0.01 0.00 0.00 42.46 38.33 2eeh s ILE 60 CO -0.17 -0.32 0.33 0.35 0.00 0.00 0.00 174.94 175.13 2eeh n THR 61 N 6.51 1.56 -3.85 2.92 -2.24 -0.61 -2.80 114.28 115.78 2eeh n THR 61 Ca 0.19 -0.76 -0.10 0.00 -2.27 0.00 0.00 64.05 61.11 2eeh n THR 61 Cb 0.45 -1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 67.55 2eeh n THR 61 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2eeh s GLU 62 N -2.55 0.68 -0.01 -0.78 2.12 -1.16 -0.88 118.70 116.11 2eeh s GLU 62 Ca -0.13 -0.63 -0.04 0.00 0.36 0.00 0.00 54.97 54.53 2eeh s GLU 62 Cb 0.07 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.75 2eeh s GLU 62 CO 0.79 -0.19 0.10 0.08 -0.54 0.00 0.00 175.26 175.49 2eeh s VAL 63 N -2.53 0.05 -0.51 3.70 1.01 0.67 -0.33 120.40 122.46 2eeh s VAL 63 Ca -0.05 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 2eeh s VAL 63 Cb -0.01 -0.28 0.07 0.00 0.00 0.00 0.00 36.38 36.15 2eeh s VAL 63 CO -0.04 -0.23 0.16 -3.20 0.00 0.00 0.00 175.10 171.80 2eeh n ASN 64 N 2.20 -1.14 0.00 3.32 2.85 0.88 0.19 115.26 123.56 2eeh n ASN 64 Ca -0.18 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.27 2eeh n ASN 64 Cb 0.57 -1.08 0.00 0.00 1.24 0.00 0.00 39.78 40.51 2eeh n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2eeh n GLY 65 N -0.62 2.05 3.67 8.20 0.00 -1.26 -4.92 105.19 112.31 2eeh n GLY 65 Ca 0.03 -0.38 -0.46 0.00 0.00 0.00 0.00 46.02 45.21 2eeh n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eeh n LEU 66 N 0.00 3.72 -4.72 0.99 7.99 0.51 -4.90 117.00 120.60 2eeh n LEU 66 Ca 0.00 0.95 -0.42 0.00 -0.01 0.00 0.00 56.01 56.53 2eeh n LEU 66 Cb 0.00 -1.44 -0.03 0.00 -0.11 0.00 0.00 43.42 41.84 2eeh n LEU 66 CO 0.00 0.04 0.88 -0.55 -1.51 0.00 0.00 177.39 176.25 2eeh s SER 67 N 4.05 7.09 -0.37 -1.43 0.15 -1.26 -0.23 113.70 121.69 2eeh s SER 67 Ca 0.91 2.05 0.06 0.00 0.70 0.00 0.00 55.95 59.67 2eeh s SER 67 Cb -0.59 -2.58 0.55 0.00 -1.71 0.00 0.00 66.02 61.68 2eeh s SER 67 CO 0.47 -0.44 1.62 0.18 1.20 0.00 0.00 173.24 176.27 2eeh n LEU 68 N 3.65 5.22 -4.48 3.45 4.77 -0.06 -4.86 117.00 124.69 2eeh n LEU 68 Ca 0.08 -3.85 -0.43 0.00 -0.03 0.00 0.00 56.01 51.78 2eeh n LEU 68 Cb 0.46 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2eeh n LEU 68 CO 0.55 1.29 0.84 -1.61 -1.33 0.00 0.00 177.39 177.13 2eeh s GLU 69 N -3.34 3.15 0.00 3.23 2.02 -1.19 -3.44 118.70 119.13 2eeh s GLU 69 Ca 0.50 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.84 2eeh s GLU 69 Cb 0.44 -4.20 0.00 0.00 0.10 0.00 0.00 34.13 30.46 2eeh s GLU 69 CO 0.03 -1.86 0.00 0.45 0.02 0.00 0.00 175.26 173.90 2eeh n SER 70 N 8.04 -1.35 -4.84 -0.19 2.88 -0.87 -4.92 113.62 112.37 2eeh n SER 70 Ca -0.02 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.20 2eeh n SER 70 Cb 0.46 -0.38 -0.06 0.00 -0.75 0.00 0.00 64.21 63.49 2eeh n SER 70 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2eeh s THR 71 N -2.00 4.99 1.01 2.46 2.01 -1.22 -4.88 115.64 118.01 2eeh s THR 71 Ca 0.00 -0.46 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 2eeh s THR 71 Cb 0.00 -3.37 0.20 0.00 0.01 0.00 0.00 72.50 69.34 2eeh s THR 71 CO 0.00 0.23 1.08 0.28 -0.69 0.00 0.00 174.62 175.52 2eeh s THR 72 N -1.36 2.23 -0.07 -0.82 -1.32 -1.26 -3.62 115.64 109.42 2eeh s THR 72 Ca 0.29 0.07 -0.19 0.00 -1.21 0.00 0.00 61.69 60.65 2eeh s THR 72 Cb -0.12 -2.25 -0.15 0.00 -1.51 0.00 0.00 72.50 68.47 2eeh s THR 72 CO 0.21 -0.10 0.74 -0.03 -2.21 0.00 0.00 174.62 173.24 2eeh h MET 73 N -2.09 -0.17 -0.01 7.08 4.05 -1.88 -3.16 114.93 118.75 2eeh h MET 73 Ca -0.53 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 2eeh h MET 73 Cb 1.30 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.14 2eeh h MET 73 CO 0.49 0.26 -0.01 0.78 0.23 0.00 0.00 176.91 178.67 2eeh h GLY 74 N -0.91 -2.66 -0.90 1.39 0.00 -1.98 0.87 103.07 98.89 2eeh h GLY 74 Ca -0.02 1.14 0.14 0.00 0.00 0.00 0.00 47.33 48.60 2eeh h GLY 74 CO 0.03 -1.01 -0.40 1.76 0.00 0.00 0.00 176.54 176.92 2eeh h SER 75 N -0.00 -1.46 0.01 0.19 0.02 -1.98 0.36 113.55 110.69 2eeh h SER 75 Ca 0.00 0.30 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 2eeh h SER 75 Cb 0.00 0.75 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 2eeh h SER 75 CO -0.01 -0.29 -0.35 0.00 -1.14 0.00 0.00 176.83 175.04 2eeh h ALA 76 N 1.23 -0.53 -0.68 3.77 0.00 -0.98 -1.36 119.26 120.71 2eeh h ALA 76 Ca 0.31 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.32 2eeh h ALA 76 Cb 0.58 0.61 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 2eeh h ALA 76 CO -0.93 -0.87 -0.25 0.28 0.00 0.00 0.00 179.25 177.48 2eeh h VAL 77 N -0.51 0.23 0.00 0.00 2.07 0.44 1.57 116.25 120.05 2eeh h VAL 77 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2eeh h VAL 77 Cb 0.59 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2eeh h VAL 77 CO -0.28 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.48 2eeh n LYS 78 N -5.46 0.00 -0.34 1.57 4.81 0.52 0.22 118.16 119.48 2eeh n LYS 78 Ca 0.07 0.78 0.11 0.00 -0.87 0.00 0.00 58.31 58.41 2eeh n LYS 78 Cb 0.37 -1.43 0.32 0.00 0.02 0.00 0.00 35.03 34.31 2eeh n LYS 78 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2eeh h VAL 79 N 0.00 0.79 0.00 3.15 2.07 -0.70 1.83 116.25 123.40 2eeh h VAL 79 Ca 0.00 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2eeh h VAL 79 Cb 0.00 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 2eeh h VAL 79 CO 0.00 0.15 -0.06 -0.07 0.02 0.00 0.00 177.57 177.61 2eeh h LEU 80 N 0.80 0.00 -2.33 2.57 3.38 0.42 -0.40 115.31 119.74 2eeh h LEU 80 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 2eeh h LEU 80 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2eeh h LEU 80 CO -0.30 0.06 0.00 1.07 0.09 0.00 0.00 178.44 179.36 2eeh n THR 81 N -3.92 0.62 -3.82 0.22 5.66 0.59 -4.82 114.28 108.80 2eeh n THR 81 Ca -0.03 -0.81 -0.30 0.00 -3.05 0.00 0.00 64.05 59.86 2eeh n THR 81 Cb 0.15 0.78 -0.14 0.00 -1.55 0.00 0.00 70.33 69.56 2eeh n THR 81 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2eeh s SER 82 N -0.97 4.09 0.00 1.09 0.15 0.54 -5.00 113.70 113.60 2eeh s SER 82 Ca 0.19 -2.33 0.00 0.00 0.70 0.00 0.00 55.95 54.51 2eeh s SER 82 Cb 0.11 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2eeh s SER 82 CO 0.15 -0.32 0.00 -1.20 1.20 0.00 0.00 173.24 173.07 2eeh n SER 83 N 3.97 0.00 -0.09 5.45 7.64 -1.26 -4.62 113.62 124.71 2eeh n SER 83 Ca 0.04 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.94 2eeh n SER 83 Cb 0.38 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2eeh n SER 83 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2eeh n SER 84 N 0.00 0.75 -3.17 6.43 7.64 -1.26 -4.40 113.62 119.61 2eeh n SER 84 Ca 0.00 -0.88 -0.06 0.00 1.01 0.00 0.00 58.87 58.95 2eeh n SER 84 Cb 0.00 0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 2eeh n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eeh s ARG 85 N -0.89 0.83 -0.10 1.43 1.04 -1.26 -4.32 118.95 115.68 2eeh s ARG 85 Ca 0.03 -0.66 -0.26 0.00 -1.04 0.00 0.00 55.73 53.80 2eeh s ARG 85 Cb 0.03 -0.21 -0.02 0.00 -2.04 0.00 0.00 34.95 32.71 2eeh s ARG 85 CO 0.11 -1.23 0.84 -0.51 -0.04 0.00 0.00 175.30 174.47 2eeh s LEU 86 N 1.47 4.27 -0.71 -1.89 1.02 -1.11 -4.83 118.68 116.89 2eeh s LEU 86 Ca 0.20 1.31 -0.04 0.00 0.02 0.00 0.00 54.13 55.62 2eeh s LEU 86 Cb -0.06 -3.29 0.18 0.00 0.02 0.00 0.00 46.19 43.05 2eeh s LEU 86 CO -0.06 -0.29 0.56 -1.00 0.02 0.00 0.00 176.35 175.59 2eeh s HIS 87 N 1.47 3.55 -0.04 0.29 3.76 -1.26 -2.25 115.29 120.82 2eeh s HIS 87 Ca 0.42 -2.70 -0.19 0.00 -0.15 0.00 0.00 55.06 52.44 2eeh s HIS 87 Cb -0.18 -3.29 -0.05 0.00 1.11 0.00 0.00 32.58 30.17 2eeh s HIS 87 CO 0.18 -0.84 0.53 -1.64 -0.85 0.00 0.00 174.74 172.12 2eeh s MET 88 N -0.34 4.26 -0.17 1.40 -1.94 -1.18 -0.08 119.30 121.24 2eeh s MET 88 Ca 0.20 0.60 0.01 0.00 -1.71 0.00 0.00 55.69 54.78 2eeh s MET 88 Cb -0.16 -3.35 0.02 0.00 2.01 0.00 0.00 34.83 33.35 2eeh s MET 88 CO -0.06 0.36 -0.17 -1.64 -0.01 0.00 0.00 175.02 173.51 2eeh s MET 89 N -0.10 2.60 0.21 2.03 -1.94 0.55 -3.35 119.30 119.29 2eeh s MET 89 Ca 0.28 -0.71 0.05 0.00 -1.71 0.00 0.00 55.69 53.61 2eeh s MET 89 Cb -0.17 -2.34 -0.03 0.00 2.01 0.00 0.00 34.83 34.30 2eeh s MET 89 CO 0.14 -0.24 0.26 0.14 -0.01 0.00 0.00 175.02 175.32 2eeh s VAL 90 N 1.39 4.92 -0.34 -6.03 -7.23 -1.24 -1.58 120.40 110.30 2eeh s VAL 90 Ca 0.04 -1.04 -0.04 0.00 -1.81 0.00 0.00 61.98 59.13 2eeh s VAL 90 Cb -0.13 -3.61 0.05 0.00 0.56 0.00 0.00 36.38 33.25 2eeh s VAL 90 CO -0.12 -0.24 0.08 -0.13 -0.31 0.00 0.00 175.10 174.39 2eeh s ARG 91 N -3.61 2.48 -0.09 4.82 0.52 -1.22 -2.57 118.95 119.28 2eeh s ARG 91 Ca 0.33 -1.30 -0.03 0.00 -0.52 0.00 0.00 55.73 54.22 2eeh s ARG 91 Cb -0.09 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.96 2eeh s ARG 91 CO 0.27 -0.71 0.02 0.50 0.02 0.00 0.00 175.30 175.41 2eeh s ARG 92 N 1.32 3.08 -0.08 3.54 3.52 -1.23 -4.83 118.95 124.26 2eeh s ARG 92 Ca -0.02 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 2eeh s ARG 92 Cb -0.20 -2.87 -0.00 0.00 -1.56 0.00 0.00 34.95 30.32 2eeh s ARG 92 CO 0.01 0.70 -0.23 0.00 -0.81 0.00 0.00 175.30 174.97 2eeh s MET 93 N -0.87 2.75 0.26 5.12 0.23 -1.26 -3.58 119.30 121.94 2eeh s MET 93 Ca 0.13 -0.83 0.00 0.00 -1.03 0.00 0.00 55.69 53.96 2eeh s MET 93 Cb -0.11 -2.15 0.00 0.00 -1.53 0.00 0.00 34.83 31.04 2eeh s MET 93 CO 0.03 0.22 0.00 0.41 -2.03 0.00 0.00 175.02 173.64 2eeh n GLY 94 N 3.39 -2.41 3.60 3.16 0.00 -1.26 -5.03 105.19 106.64 2eeh n GLY 94 Ca -0.19 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 2eeh n GLY 94 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eeh s SER 95 N -6.08 -0.36 0.00 1.61 0.15 -1.26 -4.97 113.70 102.79 2eeh s SER 95 Ca 0.00 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2eeh s SER 95 Cb 0.00 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2eeh s SER 95 CO 0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2eeh n GLY 96 N 1.04 -1.69 3.81 9.45 0.00 -1.26 -5.15 105.19 111.39 2eeh n GLY 96 Ca -0.10 0.64 -0.32 0.00 0.00 0.00 0.00 46.02 46.23 2eeh n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eeh s PRO 97 N 0.00 3.36 0.00 1.61 0.04 -1.26 -5.05 135.00 133.70 2eeh s PRO 97 Ca 0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2eeh s PRO 97 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2eeh s PRO 97 CO 0.00 -0.77 0.00 0.43 0.04 0.00 0.00 177.00 176.70 2eeh n SER 98 N -2.07 0.00 -4.11 6.66 7.64 -1.26 -5.17 113.62 115.30 2eeh n SER 98 Ca 0.08 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.77 2eeh n SER 98 Cb 0.53 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.60 2eeh n SER 98 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2eeh s SER 99 N 0.00 1.46 0.00 6.43 0.15 -1.26 -5.33 113.70 115.14 2eeh s SER 99 Ca 0.00 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2eeh s SER 99 Cb 0.00 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2eeh s SER 99 CO 0.00 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.07