#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eeh n SER 2 N 0.00 -8.48 -4.23 1.61 2.88 -1.26 -4.88 113.62 99.26 2eeh n SER 2 Ca 0.00 1.15 -0.31 0.00 -1.33 0.00 0.00 58.87 58.38 2eeh n SER 2 Cb 0.00 -4.80 -0.17 0.00 -0.75 0.00 0.00 64.21 58.50 2eeh n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2eeh s SER 3 N -7.22 2.98 0.00 -3.46 0.01 -1.26 -4.78 113.70 99.97 2eeh s SER 3 Ca 0.00 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2eeh s SER 3 Cb 0.00 -1.06 0.00 0.00 0.21 0.00 0.00 66.02 65.17 2eeh s SER 3 CO 0.00 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.46 2eeh n GLY 4 N 3.22 2.38 3.10 3.44 0.00 -1.26 -4.89 105.19 111.19 2eeh n GLY 4 Ca -0.18 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 2eeh n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eeh n SER 5 N 3.33 -6.84 -4.51 1.61 7.64 -1.26 -4.86 113.62 108.73 2eeh n SER 5 Ca 0.00 0.59 -0.32 0.00 1.01 0.00 0.00 58.87 60.16 2eeh n SER 5 Cb 0.00 -2.43 0.16 0.00 -1.01 0.00 0.00 64.21 60.93 2eeh n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2eeh n SER 6 N 1.06 -1.09 -4.26 6.43 2.88 -1.26 -5.04 113.62 112.35 2eeh n SER 6 Ca -0.00 0.27 -0.15 0.00 -1.33 0.00 0.00 58.87 57.66 2eeh n SER 6 Cb 0.40 -1.30 -0.10 0.00 -0.75 0.00 0.00 64.21 62.46 2eeh n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2eeh s GLY 7 N -2.30 1.22 0.00 0.46 0.00 -1.26 -5.04 107.32 100.40 2eeh s GLY 7 Ca 0.62 -1.59 0.22 0.00 0.00 0.00 0.00 44.72 43.97 2eeh s GLY 7 CO 0.63 -1.58 0.56 -1.14 0.00 0.00 0.00 173.10 171.57 2eeh n SER 8 N -0.26 0.16 -4.37 1.64 3.41 -1.26 -4.96 113.62 107.98 2eeh n SER 8 Ca -0.08 0.06 -0.19 0.00 -0.26 0.00 0.00 58.87 58.40 2eeh n SER 8 Cb 0.62 1.65 -0.10 0.00 -0.26 0.00 0.00 64.21 66.13 2eeh n SER 8 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2eeh s ASP 9 N -4.73 2.67 0.12 4.04 1.01 -1.26 -4.66 116.67 113.86 2eeh s ASP 9 Ca -0.07 -1.07 0.05 0.00 0.71 0.00 0.00 52.55 52.17 2eeh s ASP 9 Cb 0.13 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.87 2eeh s ASP 9 CO 0.88 -0.21 -0.11 -0.63 0.21 0.00 0.00 175.17 175.31 2eeh s ILE 10 N -2.96 1.12 -0.18 0.77 1.01 -1.01 -4.97 121.20 114.98 2eeh s ILE 10 Ca 0.25 -1.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.03 2eeh s ILE 10 Cb 0.00 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 2eeh s ILE 10 CO 0.09 -0.55 0.18 -0.63 0.00 0.00 0.00 174.94 174.02 2eeh s ILE 11 N -2.53 5.39 0.46 2.92 -1.09 -1.26 -1.41 121.20 123.67 2eeh s ILE 11 Ca 0.09 0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.85 2eeh s ILE 11 Cb -0.02 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 2eeh s ILE 11 CO 0.01 0.45 0.64 -1.00 -1.23 0.00 0.00 174.94 173.81 2eeh s HIS 12 N 0.23 2.93 -0.10 3.97 3.76 -0.52 -4.96 115.29 120.60 2eeh s HIS 12 Ca 0.11 -0.15 0.02 0.00 -0.15 0.00 0.00 55.06 54.90 2eeh s HIS 12 Cb -0.12 -2.44 0.01 0.00 1.11 0.00 0.00 32.58 31.15 2eeh s HIS 12 CO 0.00 -0.50 -0.17 -1.54 -0.85 0.00 0.00 174.74 171.68 2eeh s SER 13 N -4.33 2.54 -0.02 1.40 1.04 -1.26 -4.08 113.70 108.99 2eeh s SER 13 Ca 0.53 -0.46 -0.08 0.00 0.48 0.00 0.00 55.95 56.43 2eeh s SER 13 Cb -0.10 -1.15 0.01 0.00 0.10 0.00 0.00 66.02 64.88 2eeh s SER 13 CO 0.35 0.05 0.17 0.54 0.98 0.00 0.00 173.24 175.34 2eeh s VAL 14 N 0.80 0.05 -0.29 5.02 0.11 -1.19 -5.00 120.40 119.90 2eeh s VAL 14 Ca -0.10 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 2eeh s VAL 14 Cb -0.16 -0.40 0.09 0.00 -1.53 0.00 0.00 36.38 34.39 2eeh s VAL 14 CO 0.01 -0.24 0.06 -0.13 -3.33 0.00 0.00 175.10 171.46 2eeh s ARG 15 N -0.89 1.01 -0.43 1.54 0.52 -1.26 -2.72 118.95 116.73 2eeh s ARG 15 Ca -0.10 -1.16 -0.17 0.00 -0.52 0.00 0.00 55.73 53.78 2eeh s ARG 15 Cb -0.05 -2.34 0.02 0.00 0.52 0.00 0.00 34.95 33.10 2eeh s ARG 15 CO 0.01 -0.88 0.43 0.08 0.02 0.00 0.00 175.30 174.97 2eeh s VAL 16 N 1.46 5.10 0.30 3.52 1.01 -1.03 -4.37 120.40 126.39 2eeh s VAL 16 Ca 0.06 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 2eeh s VAL 16 Cb -0.18 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2eeh s VAL 16 CO -0.17 -0.44 0.86 -1.83 0.00 0.00 0.00 175.10 173.52 2eeh s GLU 17 N 2.11 4.40 0.60 2.72 -1.05 -1.26 -2.88 118.70 123.33 2eeh s GLU 17 Ca 0.11 1.11 -0.15 0.00 -0.15 0.00 0.00 54.97 55.89 2eeh s GLU 17 Cb -0.17 -2.74 -0.03 0.00 -0.44 0.00 0.00 34.13 30.75 2eeh s GLU 17 CO 0.13 0.28 1.05 -1.59 0.95 0.00 0.00 175.26 176.08 2eeh s LYS 18 N -2.21 3.32 -0.28 -4.83 -2.85 -1.26 -4.70 119.74 106.93 2eeh s LYS 18 Ca 0.49 1.15 -0.20 0.00 -1.00 0.00 0.00 55.97 56.41 2eeh s LYS 18 Cb -0.16 -2.03 0.09 0.00 -2.06 0.00 0.00 37.83 33.66 2eeh s LYS 18 CO 0.21 -0.81 0.78 -1.54 0.10 0.00 0.00 175.35 174.10 2eeh s SER 19 N -2.94 -0.76 -1.18 0.03 1.04 -1.26 -5.06 113.70 103.57 2eeh s SER 19 Ca 0.62 1.32 -0.19 0.00 0.48 0.00 0.00 55.95 58.18 2eeh s SER 19 Cb -0.15 1.33 -0.03 0.00 0.10 0.00 0.00 66.02 67.26 2eeh s SER 19 CO 0.39 -0.22 1.94 -0.81 0.98 0.00 0.00 173.24 175.52 2eeh n PRO 20 N 3.43 2.30 0.05 4.02 -0.04 -1.26 -4.25 135.00 139.24 2eeh n PRO 20 Ca -0.17 -2.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.71 2eeh n PRO 20 Cb 0.57 -3.38 0.00 0.00 -0.04 0.00 0.00 33.50 30.65 2eeh n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eeh n ALA 21 N 9.28 3.00 0.00 0.55 0.00 -1.26 -5.09 120.51 126.99 2eeh n ALA 21 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2eeh n ALA 21 Cb 0.43 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2eeh n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eeh n GLY 22 N 3.35 -0.75 1.39 0.00 0.00 -1.26 -5.15 105.19 102.76 2eeh n GLY 22 Ca 0.00 0.77 0.17 0.00 0.00 0.00 0.00 46.02 46.96 2eeh n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2eeh n ARG 23 N 0.00 -3.20 -1.18 1.61 0.63 -1.26 -4.80 116.66 108.47 2eeh n ARG 23 Ca 0.00 2.60 -0.38 0.00 -0.92 0.00 0.00 57.85 59.15 2eeh n ARG 23 Cb 0.00 -3.74 0.02 0.00 0.45 0.00 0.00 32.46 29.19 2eeh n ARG 23 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2eeh n LEU 24 N -4.25 -4.00 0.00 6.15 7.99 -1.26 -4.74 117.00 116.89 2eeh n LEU 24 Ca -0.09 0.51 0.05 0.00 -0.01 0.00 0.00 56.01 56.47 2eeh n LEU 24 Cb 0.66 -0.85 0.21 0.00 -0.11 0.00 0.00 43.42 43.33 2eeh n LEU 24 CO 0.04 -5.03 0.65 0.61 -1.51 0.00 0.00 177.39 172.15 2eeh n GLY 25 N 2.73 -0.80 3.29 -0.72 0.00 -1.26 -4.65 105.19 103.78 2eeh n GLY 25 Ca 0.05 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2eeh n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eeh s PHE 26 N -2.94 1.73 -0.21 1.61 -0.71 -1.26 -0.03 117.98 116.16 2eeh s PHE 26 Ca 0.05 -0.45 -0.06 0.00 -1.04 0.00 0.00 56.93 55.43 2eeh s PHE 26 Cb 0.06 -0.91 -0.03 0.00 -1.21 0.00 0.00 43.02 40.93 2eeh s PHE 26 CO 0.17 0.24 0.04 0.45 -1.34 0.00 0.00 175.22 174.78 2eeh s SER 27 N -2.23 5.10 0.11 1.98 0.15 0.83 -4.95 113.70 114.69 2eeh s SER 27 Ca 0.10 -0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.65 2eeh s SER 27 Cb -0.08 -1.89 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 2eeh s SER 27 CO 0.05 0.05 0.02 0.68 1.20 0.00 0.00 173.24 175.23 2eeh s VAL 28 N 1.09 4.05 0.29 4.45 -7.23 -1.26 -0.04 120.40 121.75 2eeh s VAL 28 Ca 0.03 -1.04 0.11 0.00 -1.81 0.00 0.00 61.98 59.27 2eeh s VAL 28 Cb -0.14 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 2eeh s VAL 28 CO 0.02 0.07 -0.15 0.00 -0.31 0.00 0.00 175.10 174.73 2eeh s ARG 29 N -2.46 1.79 0.00 4.82 1.70 -0.52 -4.86 118.95 119.42 2eeh s ARG 29 Ca 0.27 -1.75 0.00 0.00 -0.47 0.00 0.00 55.73 53.77 2eeh s ARG 29 Cb -0.11 -1.81 0.00 0.00 -0.57 0.00 0.00 34.95 32.45 2eeh s ARG 29 CO 0.19 0.30 0.00 0.41 -1.08 0.00 0.00 175.30 175.12 2eeh n GLY 30 N -0.69 -0.20 0.23 3.88 0.00 -1.26 -3.84 105.19 103.30 2eeh n GLY 30 Ca -0.05 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.41 0.00 -0.02 0.00 -1.26 -4.97 105.19 98.53 2eeh n GLY 31 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 -3.38 1.61 2.88 -1.26 -4.93 113.62 108.54 2eeh n SER 32 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2eeh n SER 32 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2eeh n SER 32 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2eeh n GLU 33 N -0.09 3.41 -0.00 -1.46 1.02 -1.26 -4.23 120.64 118.02 2eeh n GLU 33 Ca 0.00 -2.22 -0.01 0.00 -0.02 0.00 0.00 57.16 54.91 2eeh n GLU 33 Cb 0.00 -2.87 -0.00 0.00 -0.02 0.00 0.00 31.44 28.55 2eeh n GLU 33 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2eeh n HIS 34 N 4.14 0.00 0.00 -0.32 8.25 -1.26 -5.10 115.22 120.94 2eeh n HIS 34 Ca 0.71 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.17 2eeh n HIS 34 Cb 0.26 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 2.60 -0.31 3.56 -1.41 0.00 -1.26 -5.18 105.19 103.19 2eeh n GLY 35 Ca -0.02 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2eeh n GLY 35 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2eeh s LEU 36 N 0.00 -0.53 0.00 0.99 0.05 -1.26 -5.15 118.68 112.77 2eeh s LEU 36 Ca 0.00 0.67 0.00 0.00 0.05 0.00 0.00 54.13 54.85 2eeh s LEU 36 Cb 0.00 2.21 0.00 0.00 -2.05 0.00 0.00 46.19 46.35 2eeh s LEU 36 CO 0.00 -0.43 0.00 0.61 -0.55 0.00 0.00 176.35 175.98 2eeh n GLY 37 N 1.11 0.30 3.47 -3.48 0.00 -1.25 -4.82 105.19 100.51 2eeh n GLY 37 Ca -0.15 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 3.68 -0.02 -0.61 -1.09 -1.23 -4.74 121.20 117.19 2eeh s ILE 38 Ca 0.00 -0.43 0.07 0.00 -2.23 0.00 0.00 60.65 58.06 2eeh s ILE 38 Cb 0.00 -2.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.27 2eeh s ILE 38 CO 0.00 0.50 -0.24 -0.36 -1.23 0.00 0.00 174.94 173.61 2eeh s PHE 39 N 0.33 2.21 0.35 3.97 0.40 -1.25 -0.35 117.98 123.63 2eeh s PHE 39 Ca -0.06 -0.45 -0.27 0.00 -0.60 0.00 0.00 56.93 55.56 2eeh s PHE 39 Cb -0.15 -1.42 -0.09 0.00 0.51 0.00 0.00 43.02 41.87 2eeh s PHE 39 CO 0.04 -0.06 1.09 0.08 0.70 0.00 0.00 175.22 177.07 2eeh s VAL 40 N -0.52 3.51 0.00 -0.44 1.01 0.12 -1.43 120.40 122.65 2eeh s VAL 40 Ca 0.08 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2eeh s VAL 40 Cb -0.10 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2eeh s VAL 40 CO -0.00 0.18 0.00 -1.54 0.00 0.00 0.00 175.10 173.73 2eeh n SER 41 N 0.51 4.00 -3.99 3.32 3.41 0.94 -3.54 113.62 118.26 2eeh n SER 41 Ca 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.54 2eeh n SER 41 Cb 0.47 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 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 1.49 -0.12 4.33 2.36 -0.91 -4.70 119.74 120.21 2eeh s LYS 42 Ca 0.00 -1.25 -0.05 0.00 -2.55 0.00 0.00 55.97 52.12 2eeh s LYS 42 Cb 0.00 0.45 0.06 0.00 -1.05 0.00 0.00 37.83 37.29 2eeh s LYS 42 CO 0.00 -0.61 0.26 0.08 1.55 0.00 0.00 175.35 176.63 2eeh s VAL 43 N -4.02 -0.22 0.98 4.02 1.01 -1.26 -0.12 120.40 120.79 2eeh s VAL 43 Ca 0.22 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.26 2eeh s VAL 43 Cb 0.00 -0.41 0.07 0.00 0.00 0.00 0.00 36.38 36.04 2eeh s VAL 43 CO 0.08 0.09 -0.13 1.21 0.00 0.00 0.00 175.10 176.35 2eeh n GLU 44 N 4.78 -1.47 -3.74 2.72 0.00 0.95 -4.91 120.64 118.97 2eeh n GLU 44 Ca -0.16 -0.43 -0.37 0.00 0.00 0.00 0.00 57.16 56.21 2eeh n GLU 44 Cb 0.51 -1.39 -0.07 0.00 0.00 0.00 0.00 31.44 30.49 2eeh n GLU 44 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2eeh s GLU 45 N -3.04 3.81 -1.50 5.31 2.02 -1.26 -4.41 118.70 119.62 2eeh s GLU 45 Ca 0.37 -0.04 -0.10 0.00 0.02 0.00 0.00 54.97 55.23 2eeh s GLU 45 Cb -0.04 -3.28 0.10 0.00 0.10 0.00 0.00 34.13 31.00 2eeh s GLU 45 CO 0.44 0.57 0.24 0.41 0.02 0.00 0.00 175.26 176.94 2eeh n GLY 46 N 2.53 -0.22 3.21 -1.39 0.00 -1.26 -4.89 105.19 103.16 2eeh n GLY 46 Ca -0.17 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.32 2.42 -0.19 1.61 3.41 -1.26 -4.91 113.62 112.39 2eeh n SER 47 Ca -0.11 -2.57 -0.01 0.00 -0.26 0.00 0.00 58.87 55.93 2eeh n SER 47 Cb 0.52 -0.06 0.09 0.00 -0.26 0.00 0.00 64.21 64.50 2eeh n SER 47 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2eeh h SER 48 N 0.51 0.12 0.00 4.04 0.02 -1.89 0.40 113.55 116.75 2eeh h SER 48 Ca -0.29 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2eeh h SER 48 Cb 1.07 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2eeh h SER 48 CO 0.45 0.08 0.00 0.00 -1.14 0.00 0.00 176.83 176.22 2eeh n ALA 49 N -2.50 -0.48 -0.50 3.77 0.00 -1.26 0.19 120.51 119.73 2eeh n ALA 49 Ca 0.08 0.00 0.42 0.00 0.00 0.00 0.00 53.44 53.93 2eeh n ALA 49 Cb 0.27 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.46 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 0.05 0.20 0.00 4.22 -1.61 1.61 114.58 119.05 2eeh h GLU 50 Ca 0.00 -0.00 -0.32 0.00 0.08 0.00 0.00 59.36 59.12 2eeh h GLU 50 Cb 0.00 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.27 2eeh h GLU 50 CO 0.00 0.03 -1.38 0.00 -2.18 0.00 0.00 179.01 175.48 2eeh h ARG 51 N 0.05 0.53 0.00 1.92 3.08 0.21 -3.18 114.38 116.99 2eeh h ARG 51 Ca 0.78 -0.84 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2eeh h ARG 51 Cb 2.88 0.30 -0.00 0.00 0.08 0.00 0.00 29.97 33.23 2eeh h ARG 51 CO -0.14 1.40 -0.11 0.00 -1.07 0.00 0.00 179.97 180.05 2eeh h ALA 52 N 0.26 1.35 0.00 0.04 0.00 1.35 -3.46 119.26 118.81 2eeh h ALA 52 Ca -0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2eeh h ALA 52 Cb 2.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2eeh h ALA 52 CO 0.26 0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2eeh n GLY 53 N -0.81 1.08 3.68 0.00 0.00 0.53 -4.17 105.19 105.50 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 4.22 0.00 0.99 2.96 -0.93 -4.98 118.68 120.94 2eeh s LEU 54 Ca 0.00 1.32 0.00 0.00 -0.22 0.00 0.00 54.13 55.24 2eeh s LEU 54 Cb 0.00 -3.36 -0.00 0.00 0.50 0.00 0.00 46.19 43.33 2eeh s LEU 54 CO 0.00 -0.40 -0.02 0.00 -1.32 0.00 0.00 176.35 174.62 2eeh n VAL 56 N 2.86 1.51 0.00 0.00 3.14 -1.26 -3.23 118.33 121.35 2eeh n VAL 56 Ca -0.14 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.74 2eeh n VAL 56 Cb 0.59 -0.43 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 2eeh n VAL 56 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2eeh n GLY 57 N 1.93 1.11 3.97 7.55 0.00 -1.23 -4.99 105.19 113.54 2eeh n GLY 57 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.95 6.01 -0.16 1.61 1.01 -1.20 -4.96 116.67 117.03 2eeh s ASP 58 Ca 0.00 -0.14 -0.01 0.00 0.71 0.00 0.00 52.55 53.11 2eeh s ASP 58 Cb 0.00 -1.38 0.04 0.00 1.01 0.00 0.00 42.92 42.59 2eeh s ASP 58 CO 0.00 -0.32 -0.04 -0.75 0.21 0.00 0.00 175.17 174.27 2eeh s LYS 59 N -4.10 1.27 -0.27 8.23 2.20 -1.26 -0.70 119.74 125.10 2eeh s LYS 59 Ca 0.42 -0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 55.30 2eeh s LYS 59 Cb -0.09 -1.90 -0.02 0.00 -1.51 0.00 0.00 37.83 34.32 2eeh s LYS 59 CO 0.30 -0.44 1.53 0.42 -0.36 0.00 0.00 175.35 176.80 2eeh s ILE 60 N 1.69 3.81 -0.13 5.43 1.01 0.52 -3.68 121.20 129.86 2eeh s ILE 60 Ca 0.01 0.90 0.21 0.00 0.00 0.00 0.00 60.65 61.78 2eeh s ILE 60 Cb -0.15 -3.87 -0.18 0.00 0.01 0.00 0.00 42.46 38.27 2eeh s ILE 60 CO -0.07 -0.39 0.70 0.35 0.00 0.00 0.00 174.94 175.52 2eeh n THR 61 N 6.50 0.53 -3.48 2.92 -2.24 -0.86 -3.53 114.28 114.11 2eeh n THR 61 Ca 0.18 -0.58 -0.09 0.00 -2.27 0.00 0.00 64.05 61.29 2eeh n THR 61 Cb 0.46 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.28 0.93 -0.22 -0.78 2.12 -1.16 -2.55 118.70 113.76 2eeh s GLU 62 Ca -0.05 -0.34 -0.21 0.00 0.36 0.00 0.00 54.97 54.73 2eeh s GLU 62 Cb 0.11 0.43 0.06 0.00 0.26 0.00 0.00 34.13 34.98 2eeh s GLU 62 CO 0.85 -0.41 0.59 0.54 -0.54 0.00 0.00 175.26 176.29 2eeh s VAL 63 N -3.27 0.00 -0.83 3.70 0.11 0.48 -0.17 120.40 120.43 2eeh s VAL 63 Ca 0.04 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2eeh s VAL 63 Cb -0.01 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 2eeh s VAL 63 CO -0.10 -0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.47 2eeh n ASN 64 N 2.69 -2.59 0.00 3.54 2.85 0.42 1.00 115.26 123.16 2eeh n ASN 64 Ca -0.14 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 2eeh n ASN 64 Cb 0.56 -2.43 0.00 0.00 1.24 0.00 0.00 39.78 39.15 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 -0.40 2.56 3.67 8.20 0.00 -1.26 -5.00 105.19 112.96 2eeh n GLY 65 Ca -0.09 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 2eeh n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eeh s LEU 66 N 0.00 4.36 0.18 0.99 2.01 0.28 -4.96 118.68 121.54 2eeh s LEU 66 Ca 0.00 2.40 -0.30 0.00 0.01 0.00 0.00 54.13 56.24 2eeh s LEU 66 Cb 0.00 -3.54 -0.07 0.00 0.01 0.00 0.00 46.19 42.58 2eeh s LEU 66 CO 0.00 -0.94 0.96 -0.94 1.01 0.00 0.00 176.35 176.44 2eeh s SER 67 N 3.29 7.55 -0.14 2.29 1.04 -1.26 -0.39 113.70 126.08 2eeh s SER 67 Ca 0.77 1.89 0.15 0.00 0.48 0.00 0.00 55.95 59.25 2eeh s SER 67 Cb -0.37 -2.60 0.55 0.00 0.10 0.00 0.00 66.02 63.70 2eeh s SER 67 CO 0.33 0.02 1.46 0.18 0.98 0.00 0.00 173.24 176.22 2eeh n LEU 68 N 2.14 4.08 0.01 2.42 4.77 -1.06 -4.55 117.00 124.82 2eeh n LEU 68 Ca 0.00 -2.74 -0.13 0.00 -0.03 0.00 0.00 56.01 53.12 2eeh n LEU 68 Cb 0.48 -0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 40.96 2eeh n LEU 68 CO 0.51 0.70 0.58 -0.33 -1.33 0.00 0.00 177.39 177.51 2eeh h GLU 69 N 2.45 -0.07 -1.72 3.23 4.39 -1.86 -3.33 114.58 117.67 2eeh h GLU 69 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.07 2eeh h GLU 69 Cb 1.39 0.02 -0.38 0.00 -0.10 0.00 0.00 28.75 29.67 2eeh h GLU 69 CO 0.22 0.41 -0.24 0.43 -1.16 0.00 0.00 179.01 178.67 2eeh n SER 70 N -4.88 5.45 -3.98 1.42 7.64 -1.26 -3.88 113.62 114.13 2eeh n SER 70 Ca -0.09 -3.75 -0.09 0.00 1.01 0.00 0.00 58.87 55.96 2eeh n SER 70 Cb 0.26 -0.64 -0.11 0.00 -1.01 0.00 0.00 64.21 62.72 2eeh n SER 70 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2eeh s THR 71 N -5.31 0.13 0.75 0.44 2.01 -1.25 -5.14 115.64 107.27 2eeh s THR 71 Ca 0.49 -1.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 2eeh s THR 71 Cb 0.39 -0.54 0.04 0.00 0.01 0.00 0.00 72.50 72.41 2eeh s THR 71 CO -0.24 -0.58 1.08 0.28 -0.69 0.00 0.00 174.62 174.47 2eeh s THR 72 N -1.95 3.52 0.09 -0.82 -1.32 -1.26 -4.88 115.64 109.02 2eeh s THR 72 Ca -0.11 0.49 -0.32 0.00 -1.21 0.00 0.00 61.69 60.54 2eeh s THR 72 Cb -0.06 -3.26 -0.14 0.00 -1.51 0.00 0.00 72.50 67.53 2eeh s THR 72 CO -0.02 -0.64 1.61 -0.03 -2.21 0.00 0.00 174.62 173.32 2eeh h MET 73 N -0.90 -0.78 -0.16 7.08 4.05 -1.93 -2.84 114.93 119.46 2eeh h MET 73 Ca -0.46 0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.03 2eeh h MET 73 Cb 1.24 0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 32.20 2eeh h MET 73 CO 0.59 -0.52 -0.09 0.41 0.23 0.00 0.00 176.91 177.52 2eeh n GLY 74 N -1.48 -2.74 0.37 1.39 0.00 -1.26 -0.04 105.19 101.44 2eeh n GLY 74 Ca -0.11 0.63 -0.02 0.00 0.00 0.00 0.00 46.02 46.52 2eeh n GLY 74 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 75 N -3.30 -0.67 -0.08 1.61 2.88 -1.20 0.16 113.62 113.03 2eeh n SER 75 Ca 0.00 1.68 -0.07 0.00 -1.33 0.00 0.00 58.87 59.15 2eeh n SER 75 Cb 0.04 -0.36 -0.00 0.00 -0.75 0.00 0.00 64.21 63.14 2eeh n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eeh h ALA 76 N 1.22 0.09 0.62 -1.46 0.00 -0.36 -1.73 119.26 117.64 2eeh h ALA 76 Ca 0.31 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 2eeh h ALA 76 Cb 0.55 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2eeh h ALA 76 CO -0.94 -0.54 -0.33 0.28 0.00 0.00 0.00 179.25 177.71 2eeh h VAL 77 N -0.11 0.32 -1.87 0.00 2.07 0.44 0.53 116.25 117.63 2eeh h VAL 77 Ca 0.16 0.00 0.55 0.00 0.82 0.00 0.00 66.70 68.23 2eeh h VAL 77 Cb 0.35 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.35 2eeh h VAL 77 CO -0.37 0.00 1.34 1.17 0.02 0.00 0.00 177.57 179.72 2eeh n LYS 78 N -5.48 -0.00 -0.06 1.57 4.81 0.43 0.19 118.16 119.61 2eeh n LYS 78 Ca -0.13 1.05 -0.22 0.00 -0.87 0.00 0.00 58.31 58.14 2eeh n LYS 78 Cb 0.37 -2.40 -0.12 0.00 0.02 0.00 0.00 35.03 32.89 2eeh n LYS 78 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2eeh h VAL 79 N 0.00 0.82 0.00 3.15 3.04 -0.35 -2.94 116.25 119.96 2eeh h VAL 79 Ca 0.90 -2.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.35 2eeh h VAL 79 Cb 3.58 2.34 0.00 0.00 -2.01 0.00 0.00 31.29 35.20 2eeh h VAL 79 CO -0.04 0.53 0.00 -0.07 -1.01 0.00 0.00 177.57 176.99 2eeh h LEU 80 N -0.59 0.00 -2.19 3.16 3.38 0.72 0.56 115.31 120.35 2eeh h LEU 80 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2eeh h LEU 80 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 2eeh h LEU 80 CO -0.09 0.00 0.00 1.07 0.09 0.00 0.00 178.44 179.51 2eeh n THR 81 N -2.41 0.52 -3.58 0.22 5.66 0.42 -4.80 114.28 110.31 2eeh n THR 81 Ca -0.02 -0.76 -0.29 0.00 -3.05 0.00 0.00 64.05 59.93 2eeh n THR 81 Cb 0.04 0.85 -0.12 0.00 -1.55 0.00 0.00 70.33 69.55 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 3.30 0.00 1.09 0.15 0.20 -5.02 113.70 112.44 2eeh s SER 82 Ca 0.19 -2.40 0.00 0.00 0.70 0.00 0.00 55.95 54.44 2eeh s SER 82 Cb 0.11 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 2eeh s SER 82 CO 0.15 -0.29 0.00 -1.20 1.20 0.00 0.00 173.24 173.10 2eeh n SER 83 N 3.80 0.00 0.00 5.45 7.64 -1.25 -4.74 113.62 124.51 2eeh n SER 83 Ca 0.10 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.10 2eeh n SER 83 Cb 0.36 0.00 0.57 0.00 -1.01 0.00 0.00 64.21 64.13 2eeh n SER 83 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2eeh n SER 84 N 0.00 0.00 -3.21 6.43 3.41 -1.26 -4.17 113.62 114.82 2eeh n SER 84 Ca 0.00 0.04 -0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2eeh n SER 84 Cb 0.00 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.61 2eeh n SER 84 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2eeh s ARG 85 N -2.64 0.72 0.23 4.33 3.52 -1.26 -4.34 118.95 119.50 2eeh s ARG 85 Ca 0.20 -0.08 -0.23 0.00 -0.13 0.00 0.00 55.73 55.49 2eeh s ARG 85 Cb 0.16 0.05 -0.09 0.00 -1.56 0.00 0.00 34.95 33.51 2eeh s ARG 85 CO 0.37 -1.15 0.79 -0.51 -0.81 0.00 0.00 175.30 173.99 2eeh s LEU 86 N 2.10 4.42 -0.49 -0.88 1.43 -1.14 -4.97 118.68 119.15 2eeh s LEU 86 Ca 0.14 1.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.86 2eeh s LEU 86 Cb -0.07 -3.59 0.13 0.00 0.03 0.00 0.00 46.19 42.70 2eeh s LEU 86 CO -0.13 0.07 0.26 -1.00 0.23 0.00 0.00 176.35 175.78 2eeh s HIS 87 N -1.43 2.64 0.10 0.29 3.76 -1.26 -2.46 115.29 116.93 2eeh s HIS 87 Ca 0.42 -2.84 -0.16 0.00 -0.15 0.00 0.00 55.06 52.34 2eeh s HIS 87 Cb -0.19 -2.38 -0.07 0.00 1.11 0.00 0.00 32.58 31.06 2eeh s HIS 87 CO 0.23 -0.75 0.53 -1.64 -0.85 0.00 0.00 174.74 172.26 2eeh s MET 88 N -0.05 4.03 -0.19 1.40 -1.94 -1.10 -0.44 119.30 121.00 2eeh s MET 88 Ca 0.18 0.54 0.01 0.00 -1.71 0.00 0.00 55.69 54.71 2eeh s MET 88 Cb -0.24 -3.08 0.04 0.00 2.01 0.00 0.00 34.83 33.57 2eeh s MET 88 CO -0.01 0.57 -0.09 -1.64 -0.01 0.00 0.00 175.02 173.84 2eeh s MET 89 N -1.55 1.89 0.17 2.03 -1.94 0.77 -3.15 119.30 117.52 2eeh s MET 89 Ca 0.33 -0.77 0.04 0.00 -1.71 0.00 0.00 55.69 53.58 2eeh s MET 89 Cb -0.17 -2.32 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 2eeh s MET 89 CO 0.18 -0.43 0.22 0.14 -0.01 0.00 0.00 175.02 175.12 2eeh s VAL 90 N 1.45 4.91 -0.42 -6.03 -7.23 -1.26 -2.02 120.40 109.80 2eeh s VAL 90 Ca -0.01 -0.91 -0.10 0.00 -1.81 0.00 0.00 61.98 59.15 2eeh s VAL 90 Cb -0.16 -3.54 0.07 0.00 0.56 0.00 0.00 36.38 33.32 2eeh s VAL 90 CO -0.08 -0.13 0.26 -0.13 -0.31 0.00 0.00 175.10 174.71 2eeh s ARG 91 N -3.26 2.64 0.02 4.82 0.52 -1.24 -1.44 118.95 121.01 2eeh s ARG 91 Ca 0.33 -1.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.14 2eeh s ARG 91 Cb -0.10 -3.80 -0.01 0.00 0.52 0.00 0.00 34.95 31.56 2eeh s ARG 91 CO 0.26 -0.94 -0.10 0.50 0.02 0.00 0.00 175.30 175.04 2eeh s ARG 92 N 1.44 0.73 0.87 3.54 6.06 -0.50 -4.82 118.95 126.28 2eeh s ARG 92 Ca 0.03 -0.53 -0.12 0.00 -2.50 0.00 0.00 55.73 52.62 2eeh s ARG 92 Cb -0.23 -0.68 0.11 0.00 0.06 0.00 0.00 34.95 34.21 2eeh s ARG 92 CO 0.03 0.17 1.10 0.00 -2.50 0.00 0.00 175.30 174.10 2eeh s MET 93 N -0.74 1.46 0.23 5.12 0.23 -1.26 -2.41 119.30 121.93 2eeh s MET 93 Ca 0.00 0.60 -0.27 0.00 -1.03 0.00 0.00 55.69 54.99 2eeh s MET 93 Cb -0.06 -1.85 -0.17 0.00 -1.53 0.00 0.00 34.83 31.23 2eeh s MET 93 CO 0.00 -2.05 0.44 0.41 -2.03 0.00 0.00 175.02 171.80 2eeh n GLY 94 N -1.74 -1.91 3.75 3.16 0.00 -1.26 -4.91 105.19 102.28 2eeh n GLY 94 Ca 0.07 0.28 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.99 3.40 0.00 1.61 0.15 -1.26 -4.97 113.70 111.63 2eeh s SER 95 Ca 0.63 1.13 0.00 0.00 0.70 0.00 0.00 55.95 58.41 2eeh s SER 95 Cb -0.87 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2eeh s SER 95 CO 0.57 -2.64 0.00 0.61 1.20 0.00 0.00 173.24 172.98 2eeh n GLY 96 N -1.77 1.71 3.76 9.45 0.00 -1.26 -5.15 105.19 111.93 2eeh n GLY 96 Ca 0.06 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.11 -0.38 -0.01 1.61 0.04 -1.26 -5.09 135.00 129.80 2eeh s PRO 97 Ca 0.00 -0.28 -0.00 0.00 0.04 0.00 0.00 61.00 60.76 2eeh s PRO 97 Cb 0.00 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.84 2eeh s PRO 97 CO 0.00 -3.11 0.02 0.45 0.04 0.00 0.00 177.00 174.39 2eeh s SER 98 N -4.43 0.02 0.25 6.66 0.15 -1.26 -5.03 113.70 110.07 2eeh s SER 98 Ca 0.73 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2eeh s SER 98 Cb -0.06 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2eeh s SER 98 CO 0.55 -0.06 0.00 -0.24 1.20 0.00 0.00 173.24 174.69 2eeh n SER 99 N 3.56 -0.08 0.00 5.45 2.88 -1.26 -5.38 113.62 118.79 2eeh n SER 99 Ca -0.19 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2eeh n SER 99 Cb 0.56 0.33 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 2eeh n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42