#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 -0.75 0.04 1.61 0.15 -1.26 -5.16 113.70 108.33 2eeh s SER 2 Ca 0.00 1.32 -0.28 0.00 0.70 0.00 0.00 55.95 57.68 2eeh s SER 2 Cb 0.00 1.87 0.10 0.00 -1.71 0.00 0.00 66.02 66.28 2eeh s SER 2 CO 0.00 -0.23 1.19 -0.44 1.20 0.00 0.00 173.24 174.96 2eeh s SER 3 N 2.76 -0.08 0.00 5.45 0.01 -1.26 -5.19 113.70 115.39 2eeh s SER 3 Ca -0.04 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2eeh s SER 3 Cb -0.12 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2eeh s SER 3 CO -0.16 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.61 2eeh n GLY 4 N -0.51 4.39 3.12 3.44 0.00 -1.26 -5.12 105.19 109.25 2eeh n GLY 4 Ca -0.07 -1.46 0.02 0.00 0.00 0.00 0.00 46.02 44.51 2eeh n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eeh s SER 5 N 0.00 -1.27 -0.01 1.61 0.01 -1.26 -5.15 113.70 107.62 2eeh s SER 5 Ca 0.00 0.49 0.04 0.00 1.31 0.00 0.00 55.95 57.79 2eeh s SER 5 Cb 0.00 1.99 -0.03 0.00 0.21 0.00 0.00 66.02 68.19 2eeh s SER 5 CO 0.00 -0.28 -0.10 -0.94 0.41 0.00 0.00 173.24 172.32 2eeh s SER 6 N 2.81 4.34 -0.40 2.44 1.04 -1.26 -5.09 113.70 117.57 2eeh s SER 6 Ca 0.15 -0.19 -0.13 0.00 0.48 0.00 0.00 55.95 56.27 2eeh s SER 6 Cb -0.13 -0.95 0.04 0.00 0.10 0.00 0.00 66.02 65.07 2eeh s SER 6 CO -0.23 0.30 0.27 -0.83 0.98 0.00 0.00 173.24 173.73 2eeh s GLY 7 N -1.18 1.97 0.36 7.32 0.00 -1.26 -4.77 107.32 109.76 2eeh s GLY 7 Ca 0.15 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 43.05 2eeh s GLY 7 CO 0.05 0.91 0.00 1.44 0.00 0.00 0.00 173.10 175.50 2eeh n SER 8 N 5.07 -1.69 -4.22 1.64 7.64 -1.26 -5.00 113.62 115.79 2eeh n SER 8 Ca -0.11 0.64 -0.41 0.00 1.01 0.00 0.00 58.87 60.00 2eeh n SER 8 Cb 0.46 1.72 -0.04 0.00 -1.01 0.00 0.00 64.21 65.34 2eeh n SER 8 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2eeh s ASP 9 N -3.84 6.47 0.59 6.43 1.11 -1.25 -3.67 116.67 122.50 2eeh s ASP 9 Ca 0.00 -3.38 -0.13 0.00 0.18 0.00 0.00 52.55 49.21 2eeh s ASP 9 Cb 0.00 -2.05 -0.05 0.00 1.07 0.00 0.00 42.92 41.89 2eeh s ASP 9 CO 0.00 -0.31 1.02 -0.63 1.18 0.00 0.00 175.17 176.43 2eeh s ILE 10 N -0.88 4.51 0.03 0.77 1.09 -1.26 -4.65 121.20 120.80 2eeh s ILE 10 Ca 0.25 0.96 -0.06 0.00 -1.10 0.00 0.00 60.65 60.70 2eeh s ILE 10 Cb -0.10 -3.73 -0.05 0.00 -1.06 0.00 0.00 42.46 37.52 2eeh s ILE 10 CO -0.09 -0.92 0.29 -0.63 -0.10 0.00 0.00 174.94 173.49 2eeh s ILE 11 N -2.93 5.27 -0.13 2.92 -1.09 -1.26 -3.00 121.20 120.97 2eeh s ILE 11 Ca 0.57 0.16 -0.06 0.00 -2.23 0.00 0.00 60.65 59.09 2eeh s ILE 11 Cb -0.11 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 2eeh s ILE 11 CO 0.45 0.32 0.09 -1.00 -1.23 0.00 0.00 174.94 173.57 2eeh s HIS 12 N -1.35 3.40 -0.17 3.97 3.76 -0.81 -4.97 115.29 119.13 2eeh s HIS 12 Ca 0.30 0.34 -0.06 0.00 -0.15 0.00 0.00 55.06 55.48 2eeh s HIS 12 Cb -0.13 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.56 2eeh s HIS 12 CO 0.18 0.51 0.04 -1.12 -0.85 0.00 0.00 174.74 173.49 2eeh s SER 13 N -0.56 5.44 -0.01 1.40 0.01 -1.26 -3.21 113.70 115.52 2eeh s SER 13 Ca 0.11 0.05 -0.09 0.00 1.31 0.00 0.00 55.95 57.33 2eeh s SER 13 Cb -0.12 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.22 2eeh s SER 13 CO 0.02 0.19 0.18 0.54 0.41 0.00 0.00 173.24 174.58 2eeh s VAL 14 N 0.27 0.07 -0.28 3.43 0.11 -1.11 -5.00 120.40 117.90 2eeh s VAL 14 Ca 0.02 -0.60 -0.00 0.00 -2.93 0.00 0.00 61.98 58.47 2eeh s VAL 14 Cb -0.13 -0.46 0.08 0.00 -1.53 0.00 0.00 36.38 34.35 2eeh s VAL 14 CO 0.01 -0.33 0.05 -0.13 -3.33 0.00 0.00 175.10 171.37 2eeh s ARG 15 N -1.27 0.95 0.23 1.54 0.52 -1.26 -2.66 118.95 117.00 2eeh s ARG 15 Ca -0.13 -1.01 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 2eeh s ARG 15 Cb -0.07 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 2eeh s ARG 15 CO 0.02 -0.84 0.42 0.08 0.02 0.00 0.00 175.30 175.00 2eeh s VAL 16 N 1.55 5.19 0.23 3.52 1.01 -1.05 -4.65 120.40 126.21 2eeh s VAL 16 Ca 0.05 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.64 2eeh s VAL 16 Cb -0.18 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2eeh s VAL 16 CO -0.17 -0.26 0.32 -1.61 0.00 0.00 0.00 175.10 173.39 2eeh s GLU 17 N -3.57 3.35 0.56 2.72 2.02 -1.26 -2.38 118.70 120.14 2eeh s GLU 17 Ca 0.38 -0.79 -0.16 0.00 0.02 0.00 0.00 54.97 54.42 2eeh s GLU 17 Cb -0.11 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 2eeh s GLU 17 CO 0.30 0.44 1.03 -1.59 0.02 0.00 0.00 175.26 175.46 2eeh s LYS 18 N -3.86 3.55 -0.02 1.61 -2.85 -1.26 -4.79 119.74 112.12 2eeh s LYS 18 Ca 0.34 1.15 0.03 0.00 -1.00 0.00 0.00 55.97 56.49 2eeh s LYS 18 Cb -0.09 -2.07 -0.00 0.00 -2.06 0.00 0.00 37.83 33.61 2eeh s LYS 18 CO 0.28 -0.61 -0.10 -1.12 0.10 0.00 0.00 175.35 173.90 2eeh s SER 19 N -2.78 1.27 1.06 0.03 0.01 -1.26 -5.05 113.70 106.97 2eeh s SER 19 Ca 0.63 -0.20 -0.17 0.00 1.31 0.00 0.00 55.95 57.52 2eeh s SER 19 Cb -0.14 -0.22 0.23 0.00 0.21 0.00 0.00 66.02 66.09 2eeh s SER 19 CO 0.33 0.11 1.21 -2.16 0.41 0.00 0.00 173.24 173.14 2eeh s PRO 20 N -0.07 -0.10 0.00 12.44 0.04 -1.26 -4.12 135.00 141.92 2eeh s PRO 20 Ca 0.01 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 60.87 2eeh s PRO 20 Cb -0.06 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2eeh s PRO 20 CO 0.00 -2.95 0.00 0.00 0.04 0.00 0.00 177.00 174.09 2eeh n ALA 21 N -4.19 0.00 0.00 8.56 0.00 -1.26 -4.13 120.51 119.49 2eeh n ALA 21 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2eeh n ALA 21 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 0.00 0.52 2.82 0.00 0.00 -1.26 -5.14 105.19 102.14 2eeh n GLY 22 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2eeh n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2eeh s ARG 23 N 0.00 0.37 0.62 1.61 3.52 -1.26 -5.15 118.95 118.65 2eeh s ARG 23 Ca 0.00 -0.21 -0.18 0.00 -0.13 0.00 0.00 55.73 55.22 2eeh s ARG 23 Cb 0.00 0.02 -0.13 0.00 -1.56 0.00 0.00 34.95 33.28 2eeh s ARG 23 CO 0.00 -0.50 -0.12 1.28 -0.81 0.00 0.00 175.30 175.15 2eeh n LEU 24 N 3.51 -3.23 0.07 -0.88 7.99 -1.26 -4.73 117.00 118.47 2eeh n LEU 24 Ca 0.09 0.57 0.06 0.00 -0.01 0.00 0.00 56.01 56.72 2eeh n LEU 24 Cb 0.62 -0.90 0.29 0.00 -0.11 0.00 0.00 43.42 43.32 2eeh n LEU 24 CO -0.09 -4.68 0.68 0.61 -1.51 0.00 0.00 177.39 172.40 2eeh n GLY 25 N 2.53 -0.76 3.34 -0.72 0.00 -1.26 -4.61 105.19 103.70 2eeh n GLY 25 Ca 0.07 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.23 1.80 -0.10 1.61 -0.71 -1.26 -0.64 117.98 115.45 2eeh s PHE 26 Ca 0.00 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.40 2eeh s PHE 26 Cb 0.04 -0.86 -0.02 0.00 -1.21 0.00 0.00 43.02 40.97 2eeh s PHE 26 CO 0.14 0.36 -0.10 -1.12 -1.34 0.00 0.00 175.22 173.16 2eeh s SER 27 N -2.98 4.29 0.16 1.98 0.01 0.49 -4.96 113.70 112.69 2eeh s SER 27 Ca 0.19 -0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.35 2eeh s SER 27 Cb -0.04 -1.33 -0.04 0.00 0.21 0.00 0.00 66.02 64.82 2eeh s SER 27 CO 0.07 0.26 -0.10 0.68 0.41 0.00 0.00 173.24 174.56 2eeh s VAL 28 N -0.21 3.21 0.23 3.43 -7.23 -1.26 0.45 120.40 119.02 2eeh s VAL 28 Ca 0.01 -1.56 0.11 0.00 -1.81 0.00 0.00 61.98 58.73 2eeh s VAL 28 Cb -0.13 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 2eeh s VAL 28 CO 0.03 -0.05 -0.19 0.00 -0.31 0.00 0.00 175.10 174.58 2eeh s ARG 29 N -2.65 1.52 1.57 4.82 1.70 0.80 -4.83 118.95 121.87 2eeh s ARG 29 Ca 0.24 -1.63 0.00 0.00 -0.47 0.00 0.00 55.73 53.86 2eeh s ARG 29 Cb -0.09 -1.59 0.00 0.00 -0.57 0.00 0.00 34.95 32.70 2eeh s ARG 29 CO 0.15 0.30 0.00 0.41 -1.08 0.00 0.00 175.30 175.08 2eeh n GLY 30 N -0.27 0.81 0.00 3.88 0.00 -1.26 -3.52 105.19 104.83 2eeh n GLY 30 Ca -0.08 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 0.39 2.82 -0.02 0.00 -1.26 -4.90 105.19 102.23 2eeh n GLY 31 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 2eeh n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eeh s SER 32 N -4.00 3.42 0.02 1.61 0.01 -1.26 -4.42 113.70 109.08 2eeh s SER 32 Ca 0.00 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2eeh s SER 32 Cb 0.00 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.36 2eeh s SER 32 CO 0.00 -0.29 0.00 1.21 0.41 0.00 0.00 173.24 174.57 2eeh n GLU 33 N 4.86 0.00 -0.09 12.44 2.13 -1.26 -5.00 120.64 133.72 2eeh n GLU 33 Ca -0.09 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.58 2eeh n GLU 33 Cb 0.45 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.10 2eeh n GLU 33 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2eeh n HIS 34 N -2.36 0.73 0.00 4.31 -0.00 -1.26 -5.04 115.22 111.61 2eeh n HIS 34 Ca 0.00 0.32 0.00 0.00 0.46 0.00 0.00 57.72 58.50 2eeh n HIS 34 Cb 0.00 -0.89 0.00 0.00 -0.12 0.00 0.00 29.99 28.98 2eeh n HIS 34 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2eeh n GLY 35 N 1.48 -0.19 3.08 1.57 0.00 -1.26 -5.17 105.19 104.70 2eeh n GLY 35 Ca -0.24 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 1.34 0.00 0.99 0.05 -1.26 -5.07 118.68 114.74 2eeh s LEU 36 Ca 0.00 0.20 0.00 0.00 0.05 0.00 0.00 54.13 54.38 2eeh s LEU 36 Cb 0.00 0.67 0.00 0.00 -2.05 0.00 0.00 46.19 44.81 2eeh s LEU 36 CO 0.00 -0.16 0.00 0.61 -0.55 0.00 0.00 176.35 176.25 2eeh n GLY 37 N 2.49 -2.60 3.57 -3.48 0.00 -1.25 -4.47 105.19 99.45 2eeh n GLY 37 Ca -0.16 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 3.81 0.01 -0.61 -1.09 -1.15 -4.22 121.20 117.96 2eeh s ILE 38 Ca 0.00 -0.42 0.04 0.00 -2.23 0.00 0.00 60.65 58.04 2eeh s ILE 38 Cb 0.00 -2.59 -0.01 0.00 -1.58 0.00 0.00 42.46 38.27 2eeh s ILE 38 CO 0.00 0.57 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.79 2eeh s PHE 39 N -0.49 1.15 0.38 3.97 0.40 -1.23 -1.67 117.98 120.48 2eeh s PHE 39 Ca 0.08 -0.27 -0.24 0.00 -0.60 0.00 0.00 56.93 55.90 2eeh s PHE 39 Cb -0.12 -0.71 -0.10 0.00 0.51 0.00 0.00 43.02 42.60 2eeh s PHE 39 CO 0.02 0.00 0.96 0.08 0.70 0.00 0.00 175.22 176.99 2eeh s VAL 40 N -0.52 4.20 0.00 -0.44 1.01 0.25 -0.14 120.40 124.75 2eeh s VAL 40 Ca 0.03 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.61 2eeh s VAL 40 Cb -0.06 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2eeh s VAL 40 CO 0.00 -0.07 0.00 -1.54 0.00 0.00 0.00 175.10 173.49 2eeh n SER 41 N -0.06 0.24 -4.09 3.32 3.41 0.17 -4.36 113.62 112.25 2eeh n SER 41 Ca 0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.52 2eeh n SER 41 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.97 0.61 -0.27 4.33 2.47 -1.05 -4.71 119.74 119.16 2eeh s LYS 42 Ca 0.00 -0.84 -0.03 0.00 -1.56 0.00 0.00 55.97 53.54 2eeh s LYS 42 Cb 0.00 -0.39 0.09 0.00 -1.46 0.00 0.00 37.83 36.07 2eeh s LYS 42 CO 0.00 0.07 0.10 0.08 0.16 0.00 0.00 175.35 175.76 2eeh s VAL 43 N -1.53 0.36 -0.05 4.02 1.01 -1.26 0.19 120.40 123.14 2eeh s VAL 43 Ca -0.07 -0.87 -0.40 0.00 0.00 0.00 0.00 61.98 60.64 2eeh s VAL 43 Cb -0.09 -1.18 -0.19 0.00 0.00 0.00 0.00 36.38 34.93 2eeh s VAL 43 CO 0.00 -0.56 1.25 1.21 0.00 0.00 0.00 175.10 177.00 2eeh n GLU 44 N 5.08 0.40 -0.98 2.72 0.00 0.19 -4.81 120.64 123.24 2eeh n GLU 44 Ca -0.05 0.15 -0.29 0.00 0.00 0.00 0.00 57.16 56.96 2eeh n GLU 44 Cb 0.44 -1.70 0.19 0.00 0.00 0.00 0.00 31.44 30.37 2eeh n GLU 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2eeh s GLU 45 N 0.71 0.12 -0.20 5.31 -1.05 -1.26 -3.09 118.70 119.23 2eeh s GLU 45 Ca 0.91 0.67 -0.03 0.00 -0.15 0.00 0.00 54.97 56.37 2eeh s GLU 45 Cb -1.19 -1.69 0.03 0.00 -0.44 0.00 0.00 34.13 30.83 2eeh s GLU 45 CO 0.57 -2.98 0.07 0.41 0.95 0.00 0.00 175.26 174.28 2eeh n GLY 46 N -0.50 -0.43 3.98 -3.83 0.00 -1.26 -4.85 105.19 98.30 2eeh n GLY 46 Ca 0.05 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2eeh n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eeh s SER 47 N -1.91 4.81 0.24 1.61 1.04 -1.18 -5.02 113.70 113.29 2eeh s SER 47 Ca 0.09 -1.11 0.07 0.00 0.48 0.00 0.00 55.95 55.48 2eeh s SER 47 Cb -0.05 0.49 0.24 0.00 0.10 0.00 0.00 66.02 66.80 2eeh s SER 47 CO 0.11 -1.30 1.55 0.77 0.98 0.00 0.00 173.24 175.35 2eeh h SER 48 N 0.40 0.15 0.23 7.02 4.64 -1.88 -2.84 113.55 121.26 2eeh h SER 48 Ca -0.32 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2eeh h SER 48 Cb 1.30 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2eeh h SER 48 CO 0.48 0.77 -0.11 0.00 -0.87 0.00 0.00 176.83 177.10 2eeh h ALA 49 N 1.23 -0.78 -1.47 5.18 0.00 -1.85 1.50 119.26 123.06 2eeh h ALA 49 Ca -0.01 -0.07 0.43 0.00 0.00 0.00 0.00 54.91 55.26 2eeh h ALA 49 Cb 1.18 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 2eeh h ALA 49 CO 0.10 -0.76 1.04 1.49 0.00 0.00 0.00 179.25 181.12 2eeh h GLU 50 N -0.40 0.04 0.10 0.00 4.81 -1.61 1.46 114.58 118.99 2eeh h GLU 50 Ca -0.03 -0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.89 2eeh h GLU 50 Cb 0.23 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2eeh h GLU 50 CO 0.05 0.03 -1.57 0.00 -0.73 0.00 0.00 179.01 176.78 2eeh h ARG 51 N 0.04 0.22 0.00 1.92 3.08 -1.34 -3.27 114.38 115.04 2eeh h ARG 51 Ca 0.73 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 2eeh h ARG 51 Cb 2.79 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 32.98 2eeh h ARG 51 CO -0.09 1.06 -0.03 0.00 -1.07 0.00 0.00 179.97 179.85 2eeh h ALA 52 N 0.51 1.10 0.00 0.04 0.00 1.28 -3.45 119.26 118.74 2eeh h ALA 52 Ca -0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2eeh h ALA 52 Cb 2.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2eeh h ALA 52 CO 0.15 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.84 2eeh n GLY 53 N -0.68 1.28 3.70 0.00 0.00 0.40 -4.14 105.19 105.75 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 4.31 0.00 0.99 2.96 -0.67 -4.95 118.68 121.32 2eeh s LEU 54 Ca 0.00 1.71 0.05 0.00 -0.22 0.00 0.00 54.13 55.67 2eeh s LEU 54 Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 2eeh s LEU 54 CO 0.00 -0.43 0.17 0.00 -1.32 0.00 0.00 176.35 174.77 2eeh s VAL 56 N -2.81 4.39 0.00 0.00 1.01 -1.26 -4.01 120.40 117.72 2eeh s VAL 56 Ca 0.24 2.08 0.00 0.00 0.00 0.00 0.00 61.98 64.29 2eeh s VAL 56 Cb 0.01 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2eeh s VAL 56 CO 0.17 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2eeh n GLY 57 N 2.05 1.50 3.24 4.51 0.00 -1.26 -5.08 105.19 110.15 2eeh n GLY 57 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 1.90 -0.21 1.61 1.01 -1.26 -5.05 116.67 112.67 2eeh s ASP 58 Ca 0.00 -0.87 -0.01 0.00 0.71 0.00 0.00 52.55 52.38 2eeh s ASP 58 Cb 0.00 -0.05 0.06 0.00 1.01 0.00 0.00 42.92 43.94 2eeh s ASP 58 CO 0.00 -0.20 -0.01 -0.75 0.21 0.00 0.00 175.17 174.41 2eeh s LYS 59 N -2.97 1.17 -0.24 8.23 2.20 -1.26 -0.58 119.74 126.28 2eeh s LYS 59 Ca 0.11 -0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 54.71 2eeh s LYS 59 Cb -0.03 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.91 2eeh s LYS 59 CO 0.02 -0.62 1.57 0.42 -0.36 0.00 0.00 175.35 176.39 2eeh s ILE 60 N 1.62 3.76 -0.16 5.43 1.01 -0.67 -3.00 121.20 129.18 2eeh s ILE 60 Ca -0.03 0.85 0.19 0.00 0.00 0.00 0.00 60.65 61.66 2eeh s ILE 60 Cb -0.18 -3.78 -0.11 0.00 0.01 0.00 0.00 42.46 38.40 2eeh s ILE 60 CO -0.07 -0.34 0.85 0.35 0.00 0.00 0.00 174.94 175.73 2eeh n THR 61 N 6.43 0.92 -3.50 2.92 -2.24 0.11 -3.73 114.28 115.19 2eeh n THR 61 Ca 0.18 -0.64 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 2eeh n THR 61 Cb 0.46 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 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 -3.10 0.89 -0.21 -0.78 2.12 -1.08 -2.20 118.70 114.34 2eeh s GLU 62 Ca -0.03 -0.23 -0.16 0.00 0.36 0.00 0.00 54.97 54.91 2eeh s GLU 62 Cb 0.09 0.41 0.06 0.00 0.26 0.00 0.00 34.13 34.95 2eeh s GLU 62 CO 0.81 -0.37 0.54 0.54 -0.54 0.00 0.00 175.26 176.24 2eeh s VAL 63 N -2.82 -0.01 -1.22 3.70 0.11 -0.29 0.02 120.40 119.89 2eeh s VAL 63 Ca 0.02 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2eeh s VAL 63 Cb -0.01 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 2eeh s VAL 63 CO -0.07 0.01 0.00 -3.20 -3.33 0.00 0.00 175.10 168.51 2eeh n ASN 64 N 3.36 -4.01 0.00 3.54 2.85 -0.36 -0.40 115.26 120.24 2eeh n ASN 64 Ca -0.17 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 2eeh n ASN 64 Cb 0.56 -3.47 0.00 0.00 1.24 0.00 0.00 39.78 38.11 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 -0.69 2.08 3.64 8.20 0.00 -1.26 -4.98 105.19 112.19 2eeh n GLY 65 Ca -0.15 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 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 3.76 -4.73 0.99 7.99 0.46 -4.92 117.00 120.54 2eeh n LEU 66 Ca 0.00 0.74 -0.41 0.00 -0.01 0.00 0.00 56.01 56.33 2eeh n LEU 66 Cb 0.00 -1.49 -0.04 0.00 -0.11 0.00 0.00 43.42 41.78 2eeh n LEU 66 CO 0.00 -0.08 0.77 -0.94 -1.51 0.00 0.00 177.39 175.63 2eeh s SER 67 N 5.35 7.31 -0.26 -1.43 1.04 -1.26 -1.14 113.70 123.31 2eeh s SER 67 Ca 0.93 1.99 0.11 0.00 0.48 0.00 0.00 55.95 59.47 2eeh s SER 67 Cb -0.48 -2.60 0.50 0.00 0.10 0.00 0.00 66.02 63.55 2eeh s SER 67 CO 0.43 -0.21 1.44 0.18 0.98 0.00 0.00 173.24 176.06 2eeh n LEU 68 N 2.70 3.98 -0.09 2.42 4.77 -0.94 -4.54 117.00 125.30 2eeh n LEU 68 Ca 0.03 -3.58 0.13 0.00 -0.03 0.00 0.00 56.01 52.57 2eeh n LEU 68 Cb 0.47 -0.61 0.74 0.00 -2.33 0.00 0.00 43.42 41.70 2eeh n LEU 68 CO 0.53 1.11 0.98 -0.62 -1.33 0.00 0.00 177.39 178.06 2eeh n GLU 69 N -1.01 1.13 -2.66 3.23 1.02 -1.24 -2.91 120.64 118.21 2eeh n GLU 69 Ca 0.30 -0.19 -0.04 0.00 -0.02 0.00 0.00 57.16 57.21 2eeh n GLU 69 Cb 0.98 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.97 2eeh n GLU 69 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2eeh n SER 70 N -0.71 -1.16 -4.31 1.62 2.88 -1.26 -4.33 113.62 106.34 2eeh n SER 70 Ca 0.20 -1.67 -0.17 0.00 -1.33 0.00 0.00 58.87 55.90 2eeh n SER 70 Cb 0.14 1.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.50 2eeh n SER 70 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2eeh s THR 71 N 0.04 1.26 0.31 2.46 -1.32 -1.26 -5.08 115.64 112.05 2eeh s THR 71 Ca 0.04 -2.08 -0.27 0.00 -1.21 0.00 0.00 61.69 58.17 2eeh s THR 71 Cb 0.07 -2.13 -0.10 0.00 -1.51 0.00 0.00 72.50 68.84 2eeh s THR 71 CO -0.02 -0.52 0.97 -0.89 -2.21 0.00 0.00 174.62 171.95 2eeh s THR 72 N -3.27 4.08 0.06 5.08 2.01 -1.26 -4.54 115.64 117.80 2eeh s THR 72 Ca 0.23 1.81 -0.16 0.00 0.31 0.00 0.00 61.69 63.88 2eeh s THR 72 Cb 0.03 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.45 2eeh s THR 72 CO 0.06 0.22 1.27 -0.03 -0.69 0.00 0.00 174.62 175.44 2eeh h MET 73 N 3.35 -0.20 -0.46 4.92 4.05 -1.90 -2.08 114.93 122.61 2eeh h MET 73 Ca -0.47 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.01 2eeh h MET 73 Cb 1.20 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.99 2eeh h MET 73 CO 0.65 -0.13 -0.27 0.41 0.23 0.00 0.00 176.91 177.80 2eeh n GLY 74 N -1.19 -2.56 0.38 1.39 0.00 -1.26 -0.39 105.19 101.56 2eeh n GLY 74 Ca -0.02 0.80 -0.08 0.00 0.00 0.00 0.00 46.02 46.72 2eeh n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eeh n SER 75 N -4.03 -0.89 0.04 1.61 7.64 -0.98 0.19 113.62 117.20 2eeh n SER 75 Ca 0.01 1.63 -0.12 0.00 1.01 0.00 0.00 58.87 61.40 2eeh n SER 75 Cb 0.12 -0.25 -0.06 0.00 -1.01 0.00 0.00 64.21 63.01 2eeh n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eeh h ALA 76 N 0.65 -0.57 -0.42 -0.43 0.00 -0.05 -1.24 119.26 117.20 2eeh h ALA 76 Ca 0.19 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2eeh h ALA 76 Cb 0.42 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 2eeh h ALA 76 CO -0.88 -0.90 -0.07 0.28 0.00 0.00 0.00 179.25 177.68 2eeh h VAL 77 N -0.51 0.62 -1.71 0.00 2.07 0.26 0.39 116.25 117.36 2eeh h VAL 77 Ca 0.06 -0.01 0.52 0.00 0.82 0.00 0.00 66.70 68.09 2eeh h VAL 77 Cb 0.62 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 2eeh h VAL 77 CO -0.33 0.01 1.20 0.50 0.02 0.00 0.00 177.57 178.96 2eeh h LYS 78 N 0.04 0.02 0.12 1.57 3.64 0.33 1.99 116.57 124.27 2eeh h LYS 78 Ca 0.20 -0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.23 2eeh h LYS 78 Cb 0.31 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2eeh h LYS 78 CO -0.40 0.01 -1.89 0.28 -2.27 0.00 0.00 179.45 175.18 2eeh h VAL 79 N 0.02 0.69 0.00 2.00 2.07 0.01 -3.31 116.25 117.73 2eeh h VAL 79 Ca 0.88 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2eeh h VAL 79 Cb 3.30 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 35.59 2eeh h VAL 79 CO -0.15 0.84 0.00 0.18 0.02 0.00 0.00 177.57 178.46 2eeh n LEU 80 N -3.59 0.00 0.08 2.57 4.77 0.52 -1.04 117.00 120.31 2eeh n LEU 80 Ca -0.31 0.49 0.07 0.00 -0.03 0.00 0.00 56.01 56.24 2eeh n LEU 80 Cb 1.02 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2eeh n LEU 80 CO 0.42 -0.31 -0.05 0.71 -1.33 0.00 0.00 177.39 176.83 2eeh h THR 81 N 0.00 0.20 -0.71 -5.08 1.35 0.23 -3.45 112.91 105.45 2eeh h THR 81 Ca 0.00 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 2eeh h THR 81 Cb 0.18 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2eeh h THR 81 CO 0.00 0.11 0.00 -0.24 -0.25 0.00 0.00 175.52 175.14 2eeh n SER 82 N -2.78 0.00 -2.30 5.36 2.88 -0.21 -4.67 113.62 111.90 2eeh n SER 82 Ca -0.03 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2eeh n SER 82 Cb 0.66 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.11 2eeh n SER 82 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2eeh n SER 83 N 0.00 -7.03 0.00 -3.46 7.64 -1.26 -4.70 113.62 104.82 2eeh n SER 83 Ca 0.00 1.65 0.04 0.00 1.01 0.00 0.00 58.87 61.57 2eeh n SER 83 Cb 0.00 -4.34 0.16 0.00 -1.01 0.00 0.00 64.21 59.02 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 1.90 0.01 -3.33 6.43 7.64 -1.26 -4.00 113.62 121.01 2eeh n SER 84 Ca -0.02 0.50 -0.12 0.00 1.01 0.00 0.00 58.87 60.25 2eeh n SER 84 Cb 0.03 -0.51 -0.07 0.00 -1.01 0.00 0.00 64.21 62.65 2eeh n SER 84 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2eeh s ARG 85 N -3.01 0.53 0.08 1.43 0.52 -1.26 -4.54 118.95 112.70 2eeh s ARG 85 Ca 0.03 -0.34 -0.26 0.00 -0.52 0.00 0.00 55.73 54.65 2eeh s ARG 85 Cb 0.05 -0.48 -0.06 0.00 0.52 0.00 0.00 34.95 34.98 2eeh s ARG 85 CO 0.13 -1.11 0.80 -0.51 0.02 0.00 0.00 175.30 174.63 2eeh s LEU 86 N 2.01 4.49 -0.61 2.53 1.43 -1.00 -4.93 118.68 122.60 2eeh s LEU 86 Ca 0.13 1.56 0.02 0.00 -1.03 0.00 0.00 54.13 54.81 2eeh s LEU 86 Cb -0.13 -3.31 0.15 0.00 0.03 0.00 0.00 46.19 42.93 2eeh s LEU 86 CO -0.18 0.04 0.38 -1.00 0.23 0.00 0.00 176.35 175.83 2eeh s HIS 87 N -0.29 3.36 0.13 0.29 3.76 -1.26 -2.52 115.29 118.77 2eeh s HIS 87 Ca 0.39 -3.12 -0.12 0.00 -0.15 0.00 0.00 55.06 52.07 2eeh s HIS 87 Cb -0.22 -2.90 -0.07 0.00 1.11 0.00 0.00 32.58 30.51 2eeh s HIS 87 CO 0.25 -0.72 0.50 -1.64 -0.85 0.00 0.00 174.74 172.28 2eeh s MET 88 N -0.59 3.88 -0.08 1.40 1.00 -1.09 -1.22 119.30 122.60 2eeh s MET 88 Ca 0.19 0.35 -0.00 0.00 0.00 0.00 0.00 55.69 56.23 2eeh s MET 88 Cb -0.19 -2.92 0.02 0.00 0.00 0.00 0.00 34.83 31.75 2eeh s MET 88 CO -0.05 0.48 -0.05 -1.64 0.00 0.00 0.00 175.02 173.77 2eeh s MET 89 N -2.07 1.05 0.18 2.03 -1.94 0.10 -2.73 119.30 115.93 2eeh s MET 89 Ca 0.37 -0.11 0.04 0.00 -1.71 0.00 0.00 55.69 54.29 2eeh s MET 89 Cb -0.14 -1.17 -0.04 0.00 2.01 0.00 0.00 34.83 35.49 2eeh s MET 89 CO 0.19 -0.20 0.24 0.14 -0.01 0.00 0.00 175.02 175.38 2eeh s VAL 90 N 1.50 4.93 0.43 -6.03 -7.23 -1.20 0.04 120.40 112.85 2eeh s VAL 90 Ca -0.01 -0.96 -0.01 0.00 -1.81 0.00 0.00 61.98 59.19 2eeh s VAL 90 Cb -0.13 -3.58 -0.02 0.00 0.56 0.00 0.00 36.38 33.21 2eeh s VAL 90 CO -0.04 -0.17 0.67 -0.13 -0.31 0.00 0.00 175.10 175.12 2eeh s ARG 91 N -3.41 3.27 0.02 4.82 1.81 -1.16 -1.93 118.95 122.37 2eeh s ARG 91 Ca 0.33 -0.28 -0.01 0.00 -1.72 0.00 0.00 55.73 54.06 2eeh s ARG 91 Cb -0.10 -2.53 -0.02 0.00 -0.45 0.00 0.00 34.95 31.85 2eeh s ARG 91 CO 0.26 -0.16 -0.01 0.50 -0.68 0.00 0.00 175.30 175.21 2eeh s ARG 92 N -4.55 0.30 0.91 3.54 6.06 -1.16 -4.76 118.95 119.29 2eeh s ARG 92 Ca 0.46 -0.54 -0.11 0.00 -2.50 0.00 0.00 55.73 53.04 2eeh s ARG 92 Cb -0.10 0.11 0.20 0.00 0.06 0.00 0.00 34.95 35.22 2eeh s ARG 92 CO 0.39 -0.05 1.25 -1.64 -2.50 0.00 0.00 175.30 172.75 2eeh s MET 93 N -1.34 0.73 0.00 5.12 -1.94 -1.26 -3.91 119.30 116.71 2eeh s MET 93 Ca -0.15 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.06 2eeh s MET 93 Cb -0.09 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.76 2eeh s MET 93 CO -0.01 -2.26 0.00 0.41 -0.01 0.00 0.00 175.02 173.15 2eeh n GLY 94 N -3.55 0.45 3.40 -0.03 0.00 -1.24 -4.21 105.19 100.02 2eeh n GLY 94 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2eeh n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eeh s SER 95 N -1.00 3.41 0.35 1.61 0.01 -1.26 -5.00 113.70 111.82 2eeh s SER 95 Ca 0.00 -0.68 -0.07 0.00 1.31 0.00 0.00 55.95 56.51 2eeh s SER 95 Cb 0.00 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 65.95 2eeh s SER 95 CO 0.00 0.19 0.57 -0.83 0.41 0.00 0.00 173.24 173.58 2eeh s GLY 96 N -1.93 1.12 -1.20 3.44 0.00 -1.26 -5.04 107.32 102.44 2eeh s GLY 96 Ca 0.14 -1.26 -0.09 0.00 0.00 0.00 0.00 44.72 43.51 2eeh s GLY 96 CO 0.06 -0.78 2.41 -1.55 0.00 0.00 0.00 173.10 173.24 2eeh n PRO 97 N -0.55 2.68 -1.42 2.90 -0.04 -1.26 -4.86 135.00 132.46 2eeh n PRO 97 Ca -0.02 -1.85 0.18 0.00 -0.04 0.00 0.00 63.50 61.77 2eeh n PRO 97 Cb 0.61 -2.69 -0.07 0.00 -0.04 0.00 0.00 33.50 31.31 2eeh n PRO 97 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2eeh n SER 98 N 4.43 -8.33 0.00 3.54 7.64 -1.26 -5.04 113.62 114.60 2eeh n SER 98 Ca 0.58 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.57 2eeh n SER 98 Cb 0.21 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 58.76 2eeh n SER 98 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2eeh n SER 99 N -4.28 0.00 0.00 6.43 7.64 -1.26 -5.22 113.62 116.92 2eeh n SER 99 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2eeh n SER 99 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 2eeh n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64