#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 1.54 0.02 1.61 0.01 -1.26 -5.17 113.70 110.45 2eeh s SER 2 Ca 0.00 -1.38 0.03 0.00 1.31 0.00 0.00 55.95 55.91 2eeh s SER 2 Cb 0.00 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 2eeh s SER 2 CO 0.00 -0.69 -0.09 -0.55 0.41 0.00 0.00 173.24 172.32 2eeh s SER 3 N -3.36 1.00 0.00 2.44 0.15 -1.26 -5.14 113.70 107.54 2eeh s SER 3 Ca 0.37 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2eeh s SER 3 Cb 0.08 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2eeh s SER 3 CO 0.14 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2eeh n GLY 4 N 2.35 4.55 3.27 9.45 0.00 -1.26 -5.15 105.19 118.39 2eeh n GLY 4 Ca -0.16 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 2eeh n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eeh n SER 5 N 0.00 -2.67 0.08 1.61 3.41 -1.26 -4.98 113.62 109.81 2eeh n SER 5 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2eeh n SER 5 Cb 0.00 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 2eeh n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2eeh n SER 6 N -0.55 0.41 0.00 4.04 2.88 -1.26 -5.17 113.62 113.98 2eeh n SER 6 Ca 0.02 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2eeh n SER 6 Cb 0.61 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 2eeh n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eeh n GLY 7 N 2.55 -1.39 3.63 0.46 0.00 -1.26 -4.91 105.19 104.27 2eeh n GLY 7 Ca 0.00 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 2eeh n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eeh s SER 8 N -4.00 6.83 -0.30 1.61 0.01 -1.26 -4.95 113.70 111.64 2eeh s SER 8 Ca 0.00 0.86 -0.15 0.00 1.31 0.00 0.00 55.95 57.97 2eeh s SER 8 Cb 0.00 -2.54 0.17 0.00 0.21 0.00 0.00 66.02 63.86 2eeh s SER 8 CO 0.00 -0.97 1.01 -0.62 0.41 0.00 0.00 173.24 173.08 2eeh s ASP 9 N 1.87 -0.52 0.06 2.44 -1.08 -1.26 -2.41 116.67 115.77 2eeh s ASP 9 Ca 0.45 0.73 -0.00 0.00 -0.52 0.00 0.00 52.55 53.21 2eeh s ASP 9 Cb -0.11 1.55 -0.04 0.00 -1.46 0.00 0.00 42.92 42.86 2eeh s ASP 9 CO 0.20 -0.10 -0.04 -0.63 0.52 0.00 0.00 175.17 175.12 2eeh s ILE 10 N 2.26 0.30 0.09 4.11 1.01 -1.23 -5.02 121.20 122.72 2eeh s ILE 10 Ca -0.03 -1.78 -0.19 0.00 0.00 0.00 0.00 60.65 58.65 2eeh s ILE 10 Cb -0.05 -1.47 -0.07 0.00 0.01 0.00 0.00 42.46 40.88 2eeh s ILE 10 CO -0.17 -0.94 0.58 -0.63 0.00 0.00 0.00 174.94 173.78 2eeh s ILE 11 N -3.71 4.72 -0.13 2.92 -1.09 -1.26 -3.52 121.20 119.14 2eeh s ILE 11 Ca 0.06 1.22 -0.08 0.00 -2.23 0.00 0.00 60.65 59.62 2eeh s ILE 11 Cb 0.06 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 2eeh s ILE 11 CO -0.08 0.52 0.16 -1.00 -1.23 0.00 0.00 174.94 173.30 2eeh s HIS 12 N -1.15 3.56 -0.16 3.97 3.76 -0.80 -4.96 115.29 119.51 2eeh s HIS 12 Ca 0.30 0.51 -0.05 0.00 -0.15 0.00 0.00 55.06 55.67 2eeh s HIS 12 Cb -0.19 -2.02 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 2eeh s HIS 12 CO 0.19 0.61 0.02 -1.54 -0.85 0.00 0.00 174.74 173.17 2eeh s SER 13 N -0.66 5.28 -0.01 1.40 1.04 -1.26 -3.45 113.70 116.03 2eeh s SER 13 Ca 0.14 0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.51 2eeh s SER 13 Cb -0.12 -1.83 0.01 0.00 0.10 0.00 0.00 66.02 64.18 2eeh s SER 13 CO 0.03 0.21 0.17 0.54 0.98 0.00 0.00 173.24 175.17 2eeh s VAL 14 N 0.15 0.06 -0.20 5.02 0.11 -1.19 -4.95 120.40 119.40 2eeh s VAL 14 Ca 0.02 -0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 58.53 2eeh s VAL 14 Cb -0.13 -0.43 0.05 0.00 -1.53 0.00 0.00 36.38 34.34 2eeh s VAL 14 CO 0.02 -0.29 -0.03 -0.13 -3.33 0.00 0.00 175.10 171.34 2eeh s ARG 15 N -1.11 1.27 0.08 1.54 0.52 -1.26 -3.29 118.95 116.70 2eeh s ARG 15 Ca -0.12 -0.69 0.04 0.00 -0.52 0.00 0.00 55.73 54.45 2eeh s ARG 15 Cb -0.06 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 2eeh s ARG 15 CO 0.02 -0.57 0.00 0.08 0.02 0.00 0.00 175.30 174.86 2eeh s VAL 16 N 1.60 4.07 0.52 3.52 1.01 -1.09 -4.45 120.40 125.58 2eeh s VAL 16 Ca -0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 2eeh s VAL 16 Cb -0.17 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.30 2eeh s VAL 16 CO -0.07 0.15 0.76 -1.61 0.00 0.00 0.00 175.10 174.33 2eeh s GLU 17 N -2.22 2.84 0.10 2.72 2.02 -1.26 -2.52 118.70 120.39 2eeh s GLU 17 Ca 0.25 -0.48 -0.22 0.00 0.02 0.00 0.00 54.97 54.55 2eeh s GLU 17 Cb -0.12 -2.47 -0.07 0.00 0.10 0.00 0.00 34.13 31.57 2eeh s GLU 17 CO 0.18 -0.52 0.64 -1.59 0.02 0.00 0.00 175.26 173.99 2eeh s LYS 18 N -4.72 4.34 0.23 1.61 -2.85 -1.26 -4.82 119.74 112.25 2eeh s LYS 18 Ca 0.52 0.89 -0.12 0.00 -1.00 0.00 0.00 55.97 56.27 2eeh s LYS 18 Cb -0.10 -3.25 -0.07 0.00 -2.06 0.00 0.00 37.83 32.34 2eeh s LYS 18 CO 0.40 0.60 0.58 -1.12 0.10 0.00 0.00 175.35 175.91 2eeh s SER 19 N -1.08 6.70 -1.21 0.03 0.01 -1.26 -4.96 113.70 111.93 2eeh s SER 19 Ca 0.31 1.02 -0.09 0.00 1.31 0.00 0.00 55.95 58.50 2eeh s SER 19 Cb -0.21 -2.26 -0.07 0.00 0.21 0.00 0.00 66.02 63.69 2eeh s SER 19 CO 0.22 -0.05 2.44 -0.81 0.41 0.00 0.00 173.24 175.44 2eeh n PRO 20 N 0.04 2.72 -2.31 12.44 -0.04 -1.26 -4.60 135.00 141.99 2eeh n PRO 20 Ca -0.00 -1.82 -0.04 0.00 -0.04 0.00 0.00 63.50 61.60 2eeh n PRO 20 Cb 0.52 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 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 4.21 -3.28 0.00 0.55 0.00 -1.26 -5.00 120.51 115.73 2eeh n ALA 21 Ca 0.58 1.64 0.00 0.00 0.00 0.00 0.00 53.44 55.67 2eeh n ALA 21 Cb 0.19 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.34 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 1.40 -2.30 3.64 0.00 0.00 -1.26 -5.15 105.19 101.53 2eeh n GLY 22 Ca -0.27 0.75 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 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 0.07 0.98 1.61 3.52 -1.26 -5.16 118.95 118.71 2eeh s ARG 23 Ca 0.00 0.06 -0.15 0.00 -0.13 0.00 0.00 55.73 55.51 2eeh s ARG 23 Cb 0.00 0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 2eeh s ARG 23 CO 0.00 -0.02 -0.14 1.28 -0.81 0.00 0.00 175.30 175.62 2eeh n LEU 24 N 1.16 -2.68 0.00 -0.88 7.99 -1.26 -4.77 117.00 116.56 2eeh n LEU 24 Ca -0.06 0.25 0.05 0.00 -0.01 0.00 0.00 56.01 56.23 2eeh n LEU 24 Cb 0.58 -1.00 0.23 0.00 -0.11 0.00 0.00 43.42 43.11 2eeh n LEU 24 CO 0.04 -4.56 0.63 0.61 -1.51 0.00 0.00 177.39 172.61 2eeh n GLY 25 N 2.36 -0.74 3.23 -0.72 0.00 -1.26 -4.67 105.19 103.38 2eeh n GLY 25 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.81 1.23 -0.17 1.61 -0.71 -1.26 -0.40 117.98 115.47 2eeh s PHE 26 Ca 0.07 -0.69 -0.05 0.00 -1.04 0.00 0.00 56.93 55.22 2eeh s PHE 26 Cb 0.07 -0.64 -0.03 0.00 -1.21 0.00 0.00 43.02 41.20 2eeh s PHE 26 CO 0.17 0.07 -0.00 0.45 -1.34 0.00 0.00 175.22 174.57 2eeh s SER 27 N -2.82 5.05 0.12 1.98 0.15 0.46 -4.91 113.70 113.73 2eeh s SER 27 Ca 0.12 -0.08 0.06 0.00 0.70 0.00 0.00 55.95 56.75 2eeh s SER 27 Cb -0.00 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 2eeh s SER 27 CO 0.01 0.15 -0.02 0.68 1.20 0.00 0.00 173.24 175.26 2eeh s VAL 28 N 0.48 3.79 0.11 4.45 -7.23 -1.26 -0.39 120.40 120.35 2eeh s VAL 28 Ca -0.01 -1.20 0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2eeh s VAL 28 Cb -0.14 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 2eeh s VAL 28 CO 0.02 0.03 0.21 0.00 -0.31 0.00 0.00 175.10 175.05 2eeh s ARG 29 N -2.53 3.29 0.33 4.82 1.70 0.36 -4.82 118.95 122.10 2eeh s ARG 29 Ca 0.26 -0.60 -0.29 0.00 -0.47 0.00 0.00 55.73 54.63 2eeh s ARG 29 Cb -0.11 -2.91 -0.11 0.00 -0.57 0.00 0.00 34.95 31.25 2eeh s ARG 29 CO 0.18 0.55 1.48 0.20 -1.08 0.00 0.00 175.30 176.63 2eeh s GLY 30 N -2.87 2.67 -0.35 3.88 0.00 -1.26 -3.84 107.32 105.54 2eeh s GLY 30 Ca 0.33 1.50 -0.03 0.00 0.00 0.00 0.00 44.72 46.53 2eeh s GLY 30 CO 0.27 2.29 2.45 0.61 0.00 0.00 0.00 173.10 178.72 2eeh n GLY 31 N 1.14 4.12 1.45 0.20 0.00 -1.25 -4.89 105.19 105.95 2eeh n GLY 31 Ca 0.03 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 2eeh n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eeh n SER 32 N 0.73 0.90 0.00 1.61 3.41 -1.26 -3.49 113.62 115.52 2eeh n SER 32 Ca 0.39 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 2eeh n SER 32 Cb 0.59 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2eeh n SER 32 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2eeh n GLU 33 N -1.40 0.00 0.00 4.33 4.07 -1.26 -3.96 120.64 122.42 2eeh n GLU 33 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2eeh n GLU 33 Cb 0.22 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.60 2eeh n GLU 33 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2eeh n HIS 34 N 0.00 0.00 0.00 4.31 8.25 -1.26 -5.01 115.22 121.51 2eeh n HIS 34 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2eeh n HIS 34 Cb 0.00 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.08 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 -0.09 0.01 0.00 -1.41 0.00 -1.25 -5.18 105.19 97.26 2eeh n GLY 35 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2eeh n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eeh n LEU 36 N 0.00 0.00 0.00 0.99 7.99 -1.23 -5.08 117.00 119.67 2eeh n LEU 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2eeh n LEU 36 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2eeh n LEU 36 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 2eeh n GLY 37 N 3.68 1.59 3.29 -0.72 0.00 -1.11 -4.69 105.19 107.23 2eeh n GLY 37 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.29 1.77 0.03 -0.61 -1.09 -1.24 -3.80 121.20 116.55 2eeh s ILE 38 Ca 0.00 -1.43 0.01 0.00 -2.23 0.00 0.00 60.65 57.00 2eeh s ILE 38 Cb 0.00 -1.57 -0.02 0.00 -1.58 0.00 0.00 42.46 39.28 2eeh s ILE 38 CO 0.00 0.07 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.37 2eeh s PHE 39 N -1.00 0.47 0.13 3.97 0.40 -1.25 -2.77 117.98 117.92 2eeh s PHE 39 Ca 0.08 -0.54 -0.19 0.00 -0.60 0.00 0.00 56.93 55.68 2eeh s PHE 39 Cb -0.10 -0.30 -0.07 0.00 0.51 0.00 0.00 43.02 43.06 2eeh s PHE 39 CO 0.03 -0.14 0.61 0.08 0.70 0.00 0.00 175.22 176.50 2eeh s VAL 40 N -1.52 4.70 0.00 -0.44 1.01 -0.60 -0.49 120.40 123.06 2eeh s VAL 40 Ca -0.12 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.05 2eeh s VAL 40 Cb -0.09 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2eeh s VAL 40 CO -0.01 0.42 0.00 -1.54 0.00 0.00 0.00 175.10 173.97 2eeh n SER 41 N 1.32 2.45 -4.04 3.32 3.41 0.47 -4.26 113.62 116.29 2eeh n SER 41 Ca -0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.45 2eeh n SER 41 Cb 0.51 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 -1.89 0.48 -0.25 4.33 2.47 -0.46 -4.75 119.74 119.67 2eeh s LYS 42 Ca 0.00 -0.89 -0.03 0.00 -1.56 0.00 0.00 55.97 53.49 2eeh s LYS 42 Cb 0.00 0.08 0.08 0.00 -1.46 0.00 0.00 37.83 36.54 2eeh s LYS 42 CO 0.00 -0.06 0.10 0.08 0.16 0.00 0.00 175.35 175.63 2eeh s VAL 43 N -2.47 0.23 0.07 4.02 1.01 -1.26 0.17 120.40 122.18 2eeh s VAL 43 Ca -0.05 -0.73 -0.37 0.00 0.00 0.00 0.00 61.98 60.82 2eeh s VAL 43 Cb -0.03 -1.05 -0.17 0.00 0.00 0.00 0.00 36.38 35.13 2eeh s VAL 43 CO -0.04 -0.53 1.28 1.21 0.00 0.00 0.00 175.10 177.02 2eeh n GLU 44 N 5.13 0.93 -1.25 2.72 2.13 0.46 -4.83 120.64 125.93 2eeh n GLU 44 Ca -0.06 0.33 -0.30 0.00 0.66 0.00 0.00 57.16 57.80 2eeh n GLU 44 Cb 0.44 -1.95 0.13 0.00 0.27 0.00 0.00 31.44 30.33 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 0.37 1.50 -0.32 5.31 -1.05 -1.26 -3.21 118.70 120.04 2eeh s GLU 45 Ca 0.85 0.86 -0.02 0.00 -0.15 0.00 0.00 54.97 56.51 2eeh s GLU 45 Cb -1.01 -1.83 0.02 0.00 -0.44 0.00 0.00 34.13 30.87 2eeh s GLU 45 CO 0.49 -2.08 0.07 0.41 0.95 0.00 0.00 175.26 175.10 2eeh n GLY 46 N -1.25 -0.49 3.11 -3.83 0.00 -1.26 -4.87 105.19 96.60 2eeh n GLY 46 Ca 0.07 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.64 2.06 0.05 1.61 3.41 -1.20 -5.01 113.62 112.90 2eeh n SER 47 Ca -0.01 -2.39 -0.10 0.00 -0.26 0.00 0.00 58.87 56.11 2eeh n SER 47 Cb 0.51 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.30 0.50 0.25 4.04 0.02 -1.88 -2.73 113.55 114.06 2eeh h SER 48 Ca -0.25 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.35 2eeh h SER 48 Cb 1.02 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2eeh h SER 48 CO 0.38 1.08 -0.12 0.00 -1.14 0.00 0.00 176.83 177.03 2eeh h ALA 49 N 0.90 -0.80 -1.46 3.77 0.00 -1.86 1.46 119.26 121.27 2eeh h ALA 49 Ca -0.04 -0.07 0.43 0.00 0.00 0.00 0.00 54.91 55.23 2eeh h ALA 49 Cb 1.33 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 2eeh h ALA 49 CO 0.13 -0.77 1.04 1.49 0.00 0.00 0.00 179.25 181.14 2eeh h GLU 50 N -0.44 0.04 0.10 0.00 4.81 -1.64 1.42 114.58 118.86 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 0.26 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2eeh h GLU 50 CO 0.06 0.03 -1.57 0.00 -0.73 0.00 0.00 179.01 176.79 2eeh h ARG 51 N 0.04 0.22 0.00 1.92 3.08 -1.31 -3.27 114.38 115.05 2eeh h ARG 51 Ca 0.73 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 2eeh h ARG 51 Cb 2.77 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 32.96 2eeh h ARG 51 CO -0.08 1.05 -0.06 0.00 -1.07 0.00 0.00 179.97 179.82 2eeh h ALA 52 N 0.52 1.20 0.00 0.04 0.00 1.24 -3.45 119.26 118.81 2eeh h ALA 52 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2eeh h ALA 52 Cb 2.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2eeh h ALA 52 CO 0.15 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.88 2eeh n GLY 53 N -0.74 1.57 3.69 0.00 0.00 0.45 -4.00 105.19 106.15 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 -0.70 -4.95 118.68 121.29 2eeh s LEU 54 Ca 0.00 1.94 0.03 0.00 -0.22 0.00 0.00 54.13 55.88 2eeh s LEU 54 Cb 0.00 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.12 2eeh s LEU 54 CO 0.00 -0.60 0.10 0.00 -1.32 0.00 0.00 176.35 174.53 2eeh s VAL 56 N -2.46 4.06 0.00 0.00 1.01 -1.26 -3.98 120.40 117.76 2eeh s VAL 56 Ca 0.14 2.05 0.00 0.00 0.00 0.00 0.00 61.98 64.17 2eeh s VAL 56 Cb 0.01 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2eeh s VAL 56 CO 0.10 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2eeh n GLY 57 N 1.41 1.36 3.52 4.51 0.00 -1.26 -5.08 105.19 109.64 2eeh n GLY 57 Ca -0.02 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.24 3.92 -0.34 1.61 1.11 -1.26 -5.04 116.67 114.43 2eeh s ASP 58 Ca 0.00 -0.77 0.01 0.00 0.18 0.00 0.00 52.55 51.97 2eeh s ASP 58 Cb 0.00 -0.52 0.11 0.00 1.07 0.00 0.00 42.92 43.58 2eeh s ASP 58 CO 0.00 0.08 0.12 -0.75 1.18 0.00 0.00 175.17 175.80 2eeh s LYS 59 N -3.06 0.96 -0.26 8.23 2.20 -1.26 -1.55 119.74 124.99 2eeh s LYS 59 Ca 0.26 -1.41 -0.29 0.00 -0.36 0.00 0.00 55.97 54.17 2eeh s LYS 59 Cb -0.07 -2.26 -0.01 0.00 -1.51 0.00 0.00 37.83 33.97 2eeh s LYS 59 CO 0.14 -1.02 1.50 0.42 -0.36 0.00 0.00 175.35 176.03 2eeh s ILE 60 N 1.22 3.86 -0.18 5.43 1.01 -1.12 -3.19 121.20 128.24 2eeh s ILE 60 Ca 0.12 0.97 0.13 0.00 0.00 0.00 0.00 60.65 61.86 2eeh s ILE 60 Cb -0.19 -3.89 -0.23 0.00 0.01 0.00 0.00 42.46 38.15 2eeh s ILE 60 CO -0.17 -0.38 0.12 0.35 0.00 0.00 0.00 174.94 174.86 2eeh n THR 61 N 6.39 1.46 -3.84 2.92 -2.24 -0.89 -3.64 114.28 114.45 2eeh n THR 61 Ca 0.17 -0.78 -0.10 0.00 -2.27 0.00 0.00 64.05 61.06 2eeh n THR 61 Cb 0.46 -0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 67.80 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 -2.52 0.70 -0.02 -0.78 2.12 -1.20 -0.47 118.70 116.53 2eeh s GLU 62 Ca -0.15 -0.62 -0.07 0.00 0.36 0.00 0.00 54.97 54.49 2eeh s GLU 62 Cb 0.07 0.29 0.01 0.00 0.26 0.00 0.00 34.13 34.75 2eeh s GLU 62 CO 0.78 -0.20 0.15 0.08 -0.54 0.00 0.00 175.26 175.53 2eeh s VAL 63 N -2.54 0.06 -0.15 3.70 1.01 0.11 -0.59 120.40 121.98 2eeh s VAL 63 Ca -0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2eeh s VAL 63 Cb -0.01 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 36.01 2eeh s VAL 63 CO -0.04 -0.27 0.05 -3.20 0.00 0.00 0.00 175.10 171.64 2eeh n ASN 64 N 1.89 -1.02 0.00 3.32 2.85 0.15 0.18 115.26 122.64 2eeh n ASN 64 Ca -0.20 0.34 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 2eeh n ASN 64 Cb 0.56 -1.00 0.00 0.00 1.24 0.00 0.00 39.78 40.58 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 -0.52 2.07 3.68 8.20 0.00 -1.26 -4.95 105.19 112.40 2eeh n GLY 65 Ca 0.01 -0.41 -0.49 0.00 0.00 0.00 0.00 46.02 45.13 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 3.34 -4.70 0.99 7.99 0.49 -4.88 117.00 120.23 2eeh n LEU 66 Ca 0.00 0.94 -0.42 0.00 -0.01 0.00 0.00 56.01 56.52 2eeh n LEU 66 Cb 0.00 -1.36 -0.03 0.00 -0.11 0.00 0.00 43.42 41.93 2eeh n LEU 66 CO 0.00 -0.11 1.01 -0.55 -1.51 0.00 0.00 177.39 176.23 2eeh s SER 67 N 4.27 6.95 -0.28 -1.43 0.15 -1.26 -0.72 113.70 121.38 2eeh s SER 67 Ca 0.94 2.07 0.09 0.00 0.70 0.00 0.00 55.95 59.75 2eeh s SER 67 Cb -0.71 -2.57 0.47 0.00 -1.71 0.00 0.00 66.02 61.49 2eeh s SER 67 CO 0.52 -0.61 1.35 0.18 1.20 0.00 0.00 173.24 175.89 2eeh n LEU 68 N 4.65 3.89 0.05 3.45 4.77 0.37 -4.65 117.00 129.53 2eeh n LEU 68 Ca 0.11 -4.02 -0.09 0.00 -0.03 0.00 0.00 56.01 51.98 2eeh n LEU 68 Cb 0.45 -0.56 0.04 0.00 -2.33 0.00 0.00 43.42 41.02 2eeh n LEU 68 CO 0.57 1.48 0.38 -0.33 -1.33 0.00 0.00 177.39 178.16 2eeh h GLU 69 N 1.24 0.38 -0.99 3.23 5.08 -1.76 -3.30 114.58 118.48 2eeh h GLU 69 Ca 0.18 -0.30 -0.42 0.00 -1.00 0.00 0.00 59.36 57.83 2eeh h GLU 69 Cb 1.36 0.06 -0.41 0.00 0.50 0.00 0.00 28.75 30.26 2eeh h GLU 69 CO 0.36 0.93 -1.02 -1.13 -1.00 0.00 0.00 179.01 177.15 2eeh n SER 70 N -3.85 2.69 -4.29 1.42 3.41 -1.26 -2.75 113.62 108.99 2eeh n SER 70 Ca -0.04 -2.94 -0.26 0.00 -0.26 0.00 0.00 58.87 55.37 2eeh n SER 70 Cb 0.69 -0.48 -0.13 0.00 -0.26 0.00 0.00 64.21 64.02 2eeh n SER 70 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2eeh s THR 71 N -4.04 1.80 0.35 6.66 2.01 -1.25 -5.06 115.64 116.11 2eeh s THR 71 Ca 0.35 -1.44 -0.06 0.00 0.31 0.00 0.00 61.69 60.85 2eeh s THR 71 Cb 0.41 -1.60 0.09 0.00 0.01 0.00 0.00 72.50 71.41 2eeh s THR 71 CO -0.03 0.08 0.30 1.07 -0.69 0.00 0.00 174.62 175.34 2eeh n THR 72 N 1.37 0.00 -0.07 -0.82 5.66 -1.26 -4.64 114.28 114.53 2eeh n THR 72 Ca -0.18 -0.12 -0.06 0.00 -3.05 0.00 0.00 64.05 60.64 2eeh n THR 72 Cb 0.53 -0.95 -0.03 0.00 -1.55 0.00 0.00 70.33 68.33 2eeh n THR 72 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 2eeh h MET 73 N 0.00 0.00 -0.26 1.09 4.05 -1.98 -3.27 114.93 114.57 2eeh h MET 73 Ca -0.11 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.33 2eeh h MET 73 Cb 0.35 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 2eeh h MET 73 CO 0.07 0.21 -0.17 0.78 0.23 0.00 0.00 176.91 178.04 2eeh h GLY 74 N -1.00 -2.13 -0.54 1.39 0.00 -1.98 0.96 103.07 99.78 2eeh h GLY 74 Ca -0.04 1.03 0.16 0.00 0.00 0.00 0.00 47.33 48.48 2eeh h GLY 74 CO -0.02 -0.71 -0.18 0.23 0.00 0.00 0.00 176.54 175.85 2eeh h SER 75 N -0.02 -0.70 -0.87 0.19 0.87 -1.98 1.56 113.55 112.61 2eeh h SER 75 Ca 0.04 0.23 0.06 0.00 -1.23 0.00 0.00 61.79 60.89 2eeh h SER 75 Cb 0.12 0.47 -0.06 0.00 -0.44 0.00 0.00 62.40 62.50 2eeh h SER 75 CO -0.25 -0.25 0.55 0.00 -0.53 0.00 0.00 176.83 176.34 2eeh h ALA 76 N 1.77 1.20 0.10 6.23 0.00 -0.79 -1.10 119.26 126.66 2eeh h ALA 76 Ca 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2eeh h ALA 76 Cb 0.58 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2eeh h ALA 76 CO -0.79 0.31 -0.05 0.28 0.00 0.00 0.00 179.25 179.00 2eeh h VAL 77 N 1.00 1.10 -1.27 0.00 2.07 0.84 1.51 116.25 121.50 2eeh h VAL 77 Ca 0.38 -0.85 0.37 0.00 0.82 0.00 0.00 66.70 67.41 2eeh h VAL 77 Cb 0.15 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 2eeh h VAL 77 CO -0.17 0.20 0.89 0.50 0.02 0.00 0.00 177.57 179.01 2eeh h LYS 78 N -0.53 0.08 0.05 1.57 3.64 0.23 1.66 116.57 123.27 2eeh h LYS 78 Ca -0.01 -0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.05 2eeh h LYS 78 Cb 0.44 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2eeh h LYS 78 CO 0.02 0.05 -1.73 1.55 -2.27 0.00 0.00 179.45 177.07 2eeh n VAL 79 N -4.28 1.64 0.17 2.00 3.14 -0.47 -3.13 118.33 117.41 2eeh n VAL 79 Ca 0.29 -0.35 0.09 0.00 -2.96 0.00 0.00 64.34 61.41 2eeh n VAL 79 Cb 1.29 -1.87 0.45 0.00 -1.06 0.00 0.00 33.84 32.65 2eeh n VAL 79 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2eeh n LEU 80 N -3.96 0.45 -0.62 6.55 4.77 0.51 0.41 117.00 125.12 2eeh n LEU 80 Ca -0.35 0.69 0.06 0.00 -0.03 0.00 0.00 56.01 56.39 2eeh n LEU 80 Cb 0.87 -0.73 0.12 0.00 -2.33 0.00 0.00 43.42 41.35 2eeh n LEU 80 CO 0.28 -0.80 0.55 1.07 -1.33 0.00 0.00 177.39 177.17 2eeh n THR 81 N -2.08 0.53 -3.63 -5.08 5.66 0.54 -4.75 114.28 105.46 2eeh n THR 81 Ca -0.01 -0.77 -0.28 0.00 -3.05 0.00 0.00 64.05 59.95 2eeh n THR 81 Cb 0.06 0.85 -0.12 0.00 -1.55 0.00 0.00 70.33 69.57 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 -1.02 3.12 0.00 1.09 0.15 0.17 -4.99 113.70 112.21 2eeh s SER 82 Ca 0.21 -3.15 0.00 0.00 0.70 0.00 0.00 55.95 53.71 2eeh s SER 82 Cb 0.12 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 2eeh s SER 82 CO 0.17 -0.18 0.00 -1.20 1.20 0.00 0.00 173.24 173.23 2eeh n SER 83 N 2.82 0.00 -1.62 5.45 7.64 -1.26 -4.83 113.62 121.83 2eeh n SER 83 Ca 0.20 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 60.02 2eeh n SER 83 Cb 0.40 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.78 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 3.73 0.00 6.43 7.64 -1.26 -4.37 113.62 125.79 2eeh n SER 84 Ca 0.00 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.04 2eeh n SER 84 Cb 0.00 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2eeh n SER 84 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2eeh n ARG 85 N -0.14 0.00 -3.03 1.43 1.85 -1.26 -4.81 116.66 110.70 2eeh n ARG 85 Ca 0.29 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.73 2eeh n ARG 85 Cb 1.08 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.44 2eeh n ARG 85 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2eeh s LEU 86 N 0.00 4.11 -0.84 2.89 1.02 -1.05 -4.84 118.68 119.98 2eeh s LEU 86 Ca 0.00 0.58 -0.10 0.00 0.02 0.00 0.00 54.13 54.63 2eeh s LEU 86 Cb 0.00 -2.95 0.22 0.00 0.02 0.00 0.00 46.19 43.48 2eeh s LEU 86 CO 0.00 -0.53 0.75 -1.00 0.02 0.00 0.00 176.35 175.59 2eeh s HIS 87 N 2.76 3.78 0.02 0.29 3.76 -1.26 -2.65 115.29 121.99 2eeh s HIS 87 Ca 0.29 -2.36 -0.17 0.00 -0.15 0.00 0.00 55.06 52.67 2eeh s HIS 87 Cb -0.15 -3.64 -0.06 0.00 1.11 0.00 0.00 32.58 29.85 2eeh s HIS 87 CO 0.12 -0.93 0.49 -1.64 -0.85 0.00 0.00 174.74 171.93 2eeh s MET 88 N -0.25 4.08 -0.14 1.40 -1.94 -1.21 0.33 119.30 121.58 2eeh s MET 88 Ca 0.21 0.57 0.00 0.00 -1.71 0.00 0.00 55.69 54.75 2eeh s MET 88 Cb -0.12 -3.25 0.03 0.00 2.01 0.00 0.00 34.83 33.50 2eeh s MET 88 CO -0.08 0.63 -0.11 -1.64 -0.01 0.00 0.00 175.02 173.81 2eeh s MET 89 N -0.96 1.92 0.17 2.03 -1.94 0.24 -3.17 119.30 117.59 2eeh s MET 89 Ca 0.26 -0.45 0.04 0.00 -1.71 0.00 0.00 55.69 53.83 2eeh s MET 89 Cb -0.18 -1.91 -0.04 0.00 2.01 0.00 0.00 34.83 34.71 2eeh s MET 89 CO 0.16 -0.27 0.23 0.14 -0.01 0.00 0.00 175.02 175.26 2eeh s VAL 90 N 1.58 4.95 -0.21 -6.03 -7.23 -1.22 -2.08 120.40 110.15 2eeh s VAL 90 Ca 0.04 -0.90 -0.04 0.00 -1.81 0.00 0.00 61.98 59.27 2eeh s VAL 90 Cb -0.13 -3.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.23 2eeh s VAL 90 CO -0.09 -0.13 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.41 2eeh s ARG 91 N -3.28 3.50 0.11 4.82 0.52 -1.19 -1.90 118.95 121.52 2eeh s ARG 91 Ca 0.33 -0.57 0.10 0.00 -0.52 0.00 0.00 55.73 55.06 2eeh s ARG 91 Cb -0.10 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 2eeh s ARG 91 CO 0.26 -0.07 -0.24 0.50 0.02 0.00 0.00 175.30 175.77 2eeh s ARG 92 N 1.19 1.63 -0.47 3.54 3.52 -1.23 -4.74 118.95 122.39 2eeh s ARG 92 Ca 0.03 -1.23 0.03 0.00 -0.13 0.00 0.00 55.73 54.42 2eeh s ARG 92 Cb -0.14 -2.00 0.12 0.00 -1.56 0.00 0.00 34.95 31.37 2eeh s ARG 92 CO 0.00 0.48 0.21 -1.64 -0.81 0.00 0.00 175.30 173.54 2eeh s MET 93 N -1.90 1.89 0.00 5.12 -1.94 -1.26 -3.49 119.30 117.72 2eeh s MET 93 Ca 0.15 -2.37 0.00 0.00 -1.71 0.00 0.00 55.69 51.76 2eeh s MET 93 Cb -0.10 -3.34 0.00 0.00 2.01 0.00 0.00 34.83 33.40 2eeh s MET 93 CO 0.06 -1.07 0.00 0.41 -0.01 0.00 0.00 175.02 174.42 2eeh n GLY 94 N 3.53 -1.76 3.80 -0.03 0.00 -1.01 -4.94 105.19 104.77 2eeh n GLY 94 Ca 0.05 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 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 -4.35 5.37 -0.34 1.61 0.15 -1.26 -5.04 113.70 109.85 2eeh s SER 95 Ca 0.00 1.81 -0.01 0.00 0.70 0.00 0.00 55.95 58.45 2eeh s SER 95 Cb 0.00 -2.53 0.11 0.00 -1.71 0.00 0.00 66.02 61.90 2eeh s SER 95 CO 0.00 -1.45 0.15 -0.83 1.20 0.00 0.00 173.24 172.31 2eeh s GLY 96 N -3.08 1.04 -0.43 9.45 0.00 -1.26 -5.09 107.32 107.95 2eeh s GLY 96 Ca 0.63 -1.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.29 2eeh s GLY 96 CO 0.45 1.76 1.42 2.56 0.00 0.00 0.00 173.10 179.29 2eeh s PRO 97 N 1.39 3.53 -0.03 2.90 0.04 -1.26 -4.97 135.00 136.58 2eeh s PRO 97 Ca 0.12 0.88 -0.01 0.00 0.04 0.00 0.00 61.00 62.03 2eeh s PRO 97 Cb -0.19 -4.04 0.03 0.00 0.04 0.00 0.00 34.50 30.34 2eeh s PRO 97 CO -0.19 -1.63 0.06 0.45 0.04 0.00 0.00 177.00 175.74 2eeh s SER 98 N 4.07 0.24 0.16 6.66 0.15 -1.26 -5.13 113.70 118.59 2eeh s SER 98 Ca 0.60 0.11 -0.31 0.00 0.70 0.00 0.00 55.95 57.05 2eeh s SER 98 Cb -0.13 -0.02 -0.09 0.00 -1.71 0.00 0.00 66.02 64.07 2eeh s SER 98 CO 0.32 -0.16 1.47 -0.55 1.20 0.00 0.00 173.24 175.52 2eeh s SER 99 N 1.33 6.70 0.00 5.45 0.15 -1.26 -5.32 113.70 120.75 2eeh s SER 99 Ca -0.06 2.51 0.00 0.00 0.70 0.00 0.00 55.95 59.09 2eeh s SER 99 Cb -0.13 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2eeh s SER 99 CO -0.04 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.28