#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 -0.41 -4.38 1.61 3.41 -1.26 -4.92 113.62 107.68 2eeh n SER 2 Ca 0.00 1.14 -0.29 0.00 -0.26 0.00 0.00 58.87 59.46 2eeh n SER 2 Cb 0.00 -1.06 0.20 0.00 -0.26 0.00 0.00 64.21 63.09 2eeh n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2eeh s SER 3 N -0.85 1.95 0.00 4.04 1.04 -1.26 -5.07 113.70 113.55 2eeh s SER 3 Ca 0.62 0.97 0.00 0.00 0.48 0.00 0.00 55.95 58.03 2eeh s SER 3 Cb -0.85 -1.49 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2eeh s SER 3 CO 0.57 -3.52 0.00 0.61 0.98 0.00 0.00 173.24 171.88 2eeh n GLY 4 N -1.03 0.58 2.80 7.32 0.00 -1.26 -5.06 105.19 108.54 2eeh n GLY 4 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2eeh n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eeh s SER 5 N -0.43 4.15 -0.04 1.61 1.04 -1.26 -5.09 113.70 113.69 2eeh s SER 5 Ca 0.00 -1.94 -0.29 0.00 0.48 0.00 0.00 55.95 54.20 2eeh s SER 5 Cb 0.00 -1.08 0.10 0.00 0.10 0.00 0.00 66.02 65.14 2eeh s SER 5 CO 0.00 -0.38 0.88 -0.55 0.98 0.00 0.00 173.24 174.17 2eeh s SER 6 N 1.22 -0.40 -0.22 7.02 0.15 -1.26 -5.15 113.70 115.05 2eeh s SER 6 Ca 0.11 0.18 -0.09 0.00 0.70 0.00 0.00 55.95 56.85 2eeh s SER 6 Cb -0.19 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 2eeh s SER 6 CO -0.17 -0.56 0.12 -0.83 1.20 0.00 0.00 173.24 173.00 2eeh s GLY 7 N -2.00 1.93 0.22 9.45 0.00 -1.26 -5.09 107.32 110.58 2eeh s GLY 7 Ca 0.01 -0.88 0.07 0.00 0.00 0.00 0.00 44.72 43.93 2eeh s GLY 7 CO -0.05 0.31 -0.11 -0.45 0.00 0.00 0.00 173.10 172.81 2eeh s SER 8 N 0.93 2.55 -0.42 1.64 0.15 -1.26 -4.97 113.70 112.31 2eeh s SER 8 Ca 0.06 -1.08 -0.34 0.00 0.70 0.00 0.00 55.95 55.29 2eeh s SER 8 Cb -0.13 -0.13 -0.12 0.00 -1.71 0.00 0.00 66.02 63.93 2eeh s SER 8 CO 0.03 -0.25 2.26 0.47 1.20 0.00 0.00 173.24 176.95 2eeh n ASP 9 N -0.43 1.96 -4.75 5.45 9.92 -1.26 -4.66 116.55 122.78 2eeh n ASP 9 Ca -0.07 0.30 -0.32 0.00 -0.53 0.00 0.00 54.79 54.17 2eeh n ASP 9 Cb 0.61 -1.26 0.10 0.00 -0.64 0.00 0.00 41.12 39.93 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 7.95 2.96 0.15 0.53 1.09 -0.71 -4.60 121.20 128.58 2eeh s ILE 10 Ca 1.11 0.35 -0.05 0.00 -1.10 0.00 0.00 60.65 60.96 2eeh s ILE 10 Cb -0.84 -2.76 -0.06 0.00 -1.06 0.00 0.00 42.46 37.75 2eeh s ILE 10 CO 0.47 -0.37 0.40 -0.63 -0.10 0.00 0.00 174.94 174.71 2eeh s ILE 11 N -2.66 5.14 -0.07 2.92 -1.09 -1.26 -2.41 121.20 121.78 2eeh s ILE 11 Ca 0.65 0.07 0.02 0.00 -2.23 0.00 0.00 60.65 59.16 2eeh s ILE 11 Cb -0.20 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 37.03 2eeh s ILE 11 CO 0.53 0.02 -0.13 -1.00 -1.23 0.00 0.00 174.94 173.13 2eeh s HIS 12 N -1.68 2.77 -0.19 3.97 3.76 -0.94 -4.95 115.29 118.03 2eeh s HIS 12 Ca 0.42 -0.23 -0.07 0.00 -0.15 0.00 0.00 55.06 55.02 2eeh s HIS 12 Cb -0.12 -1.70 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 2eeh s HIS 12 CO 0.24 0.12 0.07 -1.54 -0.85 0.00 0.00 174.74 172.78 2eeh s SER 13 N -0.49 5.58 -0.01 1.40 1.04 -1.26 -3.54 113.70 116.42 2eeh s SER 13 Ca 0.06 0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.46 2eeh s SER 13 Cb -0.12 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 64.05 2eeh s SER 13 CO 0.02 0.15 0.18 0.54 0.98 0.00 0.00 173.24 175.10 2eeh s VAL 14 N 0.53 0.07 -0.29 5.02 0.11 -1.19 -4.94 120.40 119.70 2eeh s VAL 14 Ca 0.03 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 2eeh s VAL 14 Cb -0.13 -0.46 0.09 0.00 -1.53 0.00 0.00 36.38 34.35 2eeh s VAL 14 CO 0.01 -0.32 0.05 -0.13 -3.33 0.00 0.00 175.10 171.38 2eeh s ARG 15 N -1.24 1.05 -0.15 1.54 0.52 -1.25 -2.98 118.95 116.43 2eeh s ARG 15 Ca -0.13 -1.17 -0.14 0.00 -0.52 0.00 0.00 55.73 53.76 2eeh s ARG 15 Cb -0.07 -2.38 -0.05 0.00 0.52 0.00 0.00 34.95 32.98 2eeh s ARG 15 CO 0.02 -0.87 0.32 0.08 0.02 0.00 0.00 175.30 174.87 2eeh s VAL 16 N 1.44 5.29 0.12 3.52 1.01 -1.07 -4.53 120.40 126.18 2eeh s VAL 16 Ca 0.06 0.61 -0.08 0.00 0.00 0.00 0.00 61.98 62.56 2eeh s VAL 16 Cb -0.18 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 2eeh s VAL 16 CO -0.16 0.38 0.41 -1.61 0.00 0.00 0.00 175.10 174.12 2eeh s GLU 17 N 0.46 3.72 0.64 2.72 2.02 -1.26 -2.32 118.70 124.68 2eeh s GLU 17 Ca 0.18 0.11 -0.11 0.00 0.02 0.00 0.00 54.97 55.17 2eeh s GLU 17 Cb -0.13 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 2eeh s GLU 17 CO 0.05 0.50 1.04 -1.59 0.02 0.00 0.00 175.26 175.28 2eeh s LYS 18 N -2.25 3.42 -0.05 1.61 -2.85 -1.26 -4.82 119.74 113.54 2eeh s LYS 18 Ca 0.37 0.77 -0.17 0.00 -1.00 0.00 0.00 55.97 55.94 2eeh s LYS 18 Cb -0.13 -2.06 0.03 0.00 -2.06 0.00 0.00 37.83 33.61 2eeh s LYS 18 CO 0.20 -0.71 0.38 -1.54 0.10 0.00 0.00 175.35 173.78 2eeh s SER 19 N -4.12 -0.30 -1.10 0.03 1.04 -1.26 -5.06 113.70 102.93 2eeh s SER 19 Ca 0.56 0.33 -0.18 0.00 0.48 0.00 0.00 55.95 57.13 2eeh s SER 19 Cb -0.12 0.45 -0.07 0.00 0.10 0.00 0.00 66.02 66.39 2eeh s SER 19 CO 0.54 -0.40 2.08 -0.81 0.98 0.00 0.00 173.24 175.63 2eeh n PRO 20 N 1.58 2.15 0.08 4.02 -0.04 -1.26 -3.99 135.00 137.54 2eeh n PRO 20 Ca -0.19 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.08 2eeh n PRO 20 Cb 0.56 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 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 6.76 3.00 0.00 0.55 0.00 -1.26 -5.11 120.51 124.45 2eeh n ALA 21 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2eeh n ALA 21 Cb 0.39 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 2.48 2.04 3.66 0.00 0.00 -1.26 -5.09 105.19 107.03 2eeh n GLY 22 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2eeh n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2eeh s ARG 23 N 0.00 4.24 0.89 1.61 0.52 -1.26 -4.98 118.95 119.96 2eeh s ARG 23 Ca 0.00 1.04 -0.16 0.00 -0.52 0.00 0.00 55.73 56.09 2eeh s ARG 23 Cb 0.00 -3.62 -0.10 0.00 0.52 0.00 0.00 34.95 31.76 2eeh s ARG 23 CO 0.00 -0.47 -0.30 1.28 0.02 0.00 0.00 175.30 175.84 2eeh n LEU 24 N 5.77 -3.66 0.21 2.53 7.99 -1.26 -4.71 117.00 123.86 2eeh n LEU 24 Ca 0.06 0.32 0.12 0.00 -0.01 0.00 0.00 56.01 56.51 2eeh n LEU 24 Cb 0.48 -0.92 0.66 0.00 -0.11 0.00 0.00 43.42 43.52 2eeh n LEU 24 CO 0.48 -5.02 0.91 1.23 -1.51 0.00 0.00 177.39 173.49 2eeh h GLY 25 N -0.92 0.00 -3.12 -0.72 0.00 -1.95 -3.41 103.07 92.95 2eeh h GLY 25 Ca -0.44 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.34 2eeh h GLY 25 CO 0.30 0.00 -0.78 -0.11 0.00 0.00 0.00 176.54 175.95 2eeh s PHE 26 N -3.65 1.95 -0.13 5.60 -0.71 -1.26 -0.33 117.98 119.45 2eeh s PHE 26 Ca -0.03 -0.44 -0.02 0.00 -1.04 0.00 0.00 56.93 55.40 2eeh s PHE 26 Cb 0.07 -0.95 -0.02 0.00 -1.21 0.00 0.00 43.02 40.90 2eeh s PHE 26 CO 0.22 0.40 -0.07 0.45 -1.34 0.00 0.00 175.22 174.88 2eeh s SER 27 N -2.79 4.52 0.18 1.98 0.15 0.76 -4.92 113.70 113.59 2eeh s SER 27 Ca 0.18 -0.17 0.07 0.00 0.70 0.00 0.00 55.95 56.73 2eeh s SER 27 Cb -0.06 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.60 2eeh s SER 27 CO 0.08 0.21 0.07 0.68 1.20 0.00 0.00 173.24 175.47 2eeh s VAL 28 N 0.13 4.04 0.17 4.45 -7.23 -1.26 -0.95 120.40 119.76 2eeh s VAL 28 Ca -0.03 -1.33 0.07 0.00 -1.81 0.00 0.00 61.98 58.88 2eeh s VAL 28 Cb -0.14 -3.07 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 2eeh s VAL 28 CO 0.03 -0.15 -0.15 0.00 -0.31 0.00 0.00 175.10 174.52 2eeh s ARG 29 N -3.13 1.24 0.00 4.82 1.70 0.32 -4.83 118.95 119.07 2eeh s ARG 29 Ca 0.29 -1.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.10 2eeh s ARG 29 Cb -0.09 -1.12 0.00 0.00 -0.57 0.00 0.00 34.95 33.17 2eeh s ARG 29 CO 0.21 0.20 0.00 0.41 -1.08 0.00 0.00 175.30 175.04 2eeh n GLY 30 N 0.02 1.71 0.29 3.88 0.00 -1.26 -2.84 105.19 106.98 2eeh n GLY 30 Ca -0.11 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.45 3.08 -0.02 0.00 -1.26 -4.98 105.19 98.55 2eeh n GLY 31 Ca 0.00 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.26 -2.71 -1.26 1.61 2.88 -1.26 -4.74 113.62 107.88 2eeh n SER 32 Ca 0.00 -0.19 0.13 0.00 -1.33 0.00 0.00 58.87 57.48 2eeh n SER 32 Cb 0.00 -0.75 -0.07 0.00 -0.75 0.00 0.00 64.21 62.63 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 -0.72 -2.98 -2.37 -1.46 1.02 -1.26 -5.00 120.64 107.88 2eeh n GLU 33 Ca 0.02 2.42 -0.01 0.00 -0.02 0.00 0.00 57.16 59.58 2eeh n GLU 33 Cb 0.50 -3.38 -0.00 0.00 -0.02 0.00 0.00 31.44 28.53 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 -3.81 -4.38 -1.53 -0.32 8.25 -1.26 -4.63 115.22 107.55 2eeh n HIS 34 Ca -0.07 2.60 -0.39 0.00 -0.26 0.00 0.00 57.72 59.60 2eeh n HIS 34 Cb 0.57 -3.59 -0.05 0.00 1.12 0.00 0.00 29.99 28.03 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 1.87 2.18 0.41 -1.41 0.00 -1.26 -4.21 105.19 102.77 2eeh n GLY 35 Ca -0.04 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 2eeh n GLY 35 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2eeh n LEU 36 N 9.60 1.69 0.00 0.99 -0.00 -1.26 -4.99 117.00 123.03 2eeh n LEU 36 Ca 0.48 0.05 0.00 0.00 -0.00 0.00 0.00 56.01 56.54 2eeh n LEU 36 Cb 0.43 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2eeh n LEU 36 CO 0.91 0.40 0.00 0.61 -0.00 0.00 0.00 177.39 179.31 2eeh n GLY 37 N 2.66 0.45 3.13 1.47 0.00 -1.26 -4.85 105.19 106.79 2eeh n GLY 37 Ca -0.19 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 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 1.66 0.00 -0.61 -1.09 -1.26 -4.44 121.20 115.46 2eeh s ILE 38 Ca 0.00 -0.78 0.05 0.00 -2.23 0.00 0.00 60.65 57.69 2eeh s ILE 38 Cb 0.00 -1.46 -0.02 0.00 -1.58 0.00 0.00 42.46 39.40 2eeh s ILE 38 CO 0.00 0.47 -0.17 -0.36 -1.23 0.00 0.00 174.94 173.66 2eeh s PHE 39 N 0.51 1.47 0.30 3.97 0.40 -1.13 -2.36 117.98 121.14 2eeh s PHE 39 Ca -0.17 -0.30 -0.27 0.00 -0.60 0.00 0.00 56.93 55.59 2eeh s PHE 39 Cb -0.17 -0.93 -0.10 0.00 0.51 0.00 0.00 43.02 42.33 2eeh s PHE 39 CO 0.06 -0.00 0.96 0.08 0.70 0.00 0.00 175.22 177.01 2eeh s VAL 40 N -0.49 4.11 0.00 -0.44 1.01 0.12 0.12 120.40 124.83 2eeh s VAL 40 Ca 0.06 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.91 2eeh s VAL 40 Cb -0.07 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2eeh s VAL 40 CO -0.00 0.26 0.00 -1.20 0.00 0.00 0.00 175.10 174.16 2eeh n SER 41 N 0.85 0.24 -4.30 3.32 7.64 -0.12 -4.12 113.62 117.13 2eeh n SER 41 Ca 0.01 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.73 2eeh n SER 41 Cb 0.49 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.59 2eeh n SER 41 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2eeh s LYS 42 N -1.97 1.27 -0.18 1.43 2.36 -1.15 -4.63 119.74 116.87 2eeh s LYS 42 Ca 0.00 -1.64 -0.04 0.00 -2.55 0.00 0.00 55.97 51.74 2eeh s LYS 42 Cb 0.00 -0.42 0.08 0.00 -1.05 0.00 0.00 37.83 36.44 2eeh s LYS 42 CO 0.00 -0.15 0.20 0.08 1.55 0.00 0.00 175.35 177.03 2eeh s VAL 43 N -3.57 -0.29 0.34 4.02 1.01 -1.26 -0.17 120.40 120.48 2eeh s VAL 43 Ca 0.29 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 2eeh s VAL 43 Cb 0.06 -0.61 -0.16 0.00 0.00 0.00 0.00 36.38 35.68 2eeh s VAL 43 CO 0.08 -0.16 0.25 1.21 0.00 0.00 0.00 175.10 176.49 2eeh n GLU 44 N 5.32 0.04 -2.31 2.72 2.13 0.55 -4.85 120.64 124.23 2eeh n GLU 44 Ca -0.06 0.02 -0.37 0.00 0.66 0.00 0.00 57.16 57.41 2eeh n GLU 44 Cb 0.49 -1.03 -0.02 0.00 0.27 0.00 0.00 31.44 31.15 2eeh n GLU 44 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2eeh s GLU 45 N -1.04 3.93 -1.77 5.31 2.02 -1.26 -3.13 118.70 122.76 2eeh s GLU 45 Ca 0.61 1.76 -0.20 0.00 0.02 0.00 0.00 54.97 57.16 2eeh s GLU 45 Cb -0.73 -2.53 0.18 0.00 0.10 0.00 0.00 34.13 31.16 2eeh s GLU 45 CO 0.60 -0.41 0.68 0.41 0.02 0.00 0.00 175.26 176.57 2eeh n GLY 46 N 0.50 -0.41 3.98 -1.39 0.00 -1.26 -4.92 105.19 101.68 2eeh n GLY 46 Ca 0.06 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.33 6.14 0.46 1.61 1.04 -1.18 -4.99 113.70 113.45 2eeh s SER 47 Ca 0.75 0.01 0.14 0.00 0.48 0.00 0.00 55.95 57.33 2eeh s SER 47 Cb -0.42 -1.59 1.08 0.00 0.10 0.00 0.00 66.02 65.19 2eeh s SER 47 CO 0.97 -0.28 2.03 0.77 0.98 0.00 0.00 173.24 177.71 2eeh h SER 48 N 0.97 0.27 0.59 7.02 4.64 -1.89 -2.47 113.55 122.67 2eeh h SER 48 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 2eeh h SER 48 Cb 1.24 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2eeh h SER 48 CO 0.57 0.18 -0.28 0.00 -0.87 0.00 0.00 176.83 176.43 2eeh h ALA 49 N 1.77 -1.16 -1.25 5.18 0.00 -1.90 1.41 119.26 123.32 2eeh h ALA 49 Ca 0.19 -0.17 0.40 0.00 0.00 0.00 0.00 54.91 55.33 2eeh h ALA 49 Cb 0.35 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.32 2eeh h ALA 49 CO -0.04 -1.10 0.80 1.49 0.00 0.00 0.00 179.25 180.39 2eeh h GLU 50 N -0.82 0.13 0.13 0.00 4.81 -1.46 1.56 114.58 118.95 2eeh h GLU 50 Ca -0.08 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.86 2eeh h GLU 50 Cb 0.60 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2eeh h GLU 50 CO 0.13 0.09 -1.33 0.00 -0.73 0.00 0.00 179.01 177.17 2eeh h ARG 51 N 0.14 0.28 0.00 1.92 3.08 -1.04 -3.18 114.38 115.58 2eeh h ARG 51 Ca 0.78 -0.49 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 2eeh h ARG 51 Cb 2.36 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 32.59 2eeh h ARG 51 CO -0.42 1.21 -0.04 0.00 -1.07 0.00 0.00 179.97 179.65 2eeh h ALA 52 N 0.53 1.10 0.00 0.04 0.00 1.29 -3.45 119.26 118.77 2eeh h ALA 52 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2eeh h ALA 52 Cb 2.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2eeh h ALA 52 CO 0.20 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2eeh n GLY 53 N -0.64 1.11 3.70 0.00 0.00 0.84 -3.95 105.19 106.26 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 4.35 0.00 0.99 2.96 -0.57 -4.94 118.68 121.47 2eeh s LEU 54 Ca 0.00 2.17 0.02 0.00 -0.22 0.00 0.00 54.13 56.10 2eeh s LEU 54 Cb 0.00 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 2eeh s LEU 54 CO 0.00 -0.63 0.08 0.00 -1.32 0.00 0.00 176.35 174.48 2eeh s VAL 56 N -2.34 4.66 0.00 0.00 1.01 -1.26 -4.19 120.40 118.27 2eeh s VAL 56 Ca 0.12 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.49 2eeh s VAL 56 Cb 0.01 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2eeh s VAL 56 CO 0.08 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2eeh n GLY 57 N 1.84 1.48 3.20 4.51 0.00 -1.26 -5.06 105.19 109.90 2eeh n GLY 57 Ca -0.08 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.09 1.86 -0.22 1.61 1.01 -1.26 -5.04 116.67 112.53 2eeh s ASP 58 Ca 0.00 -0.67 0.00 0.00 0.71 0.00 0.00 52.55 52.59 2eeh s ASP 58 Cb 0.00 -0.06 0.06 0.00 1.01 0.00 0.00 42.92 43.92 2eeh s ASP 58 CO 0.00 -0.08 -0.05 -0.75 0.21 0.00 0.00 175.17 174.50 2eeh s LYS 59 N -1.98 1.57 -0.34 8.23 2.20 -1.26 0.13 119.74 128.29 2eeh s LYS 59 Ca 0.02 -0.88 -0.29 0.00 -0.36 0.00 0.00 55.97 54.46 2eeh s LYS 59 Cb -0.09 -2.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.75 2eeh s LYS 59 CO 0.03 -0.57 1.58 0.42 -0.36 0.00 0.00 175.35 176.45 2eeh s ILE 60 N 1.46 3.73 -0.15 5.43 1.01 -0.99 -3.70 121.20 127.98 2eeh s ILE 60 Ca -0.04 0.77 0.18 0.00 0.00 0.00 0.00 60.65 61.55 2eeh s ILE 60 Cb -0.18 -3.90 -0.11 0.00 0.01 0.00 0.00 42.46 38.28 2eeh s ILE 60 CO -0.07 -0.52 0.87 0.35 0.00 0.00 0.00 174.94 175.58 2eeh n THR 61 N 7.00 1.08 -3.54 2.92 -2.24 -0.65 -4.21 114.28 114.64 2eeh n THR 61 Ca 0.19 -0.66 -0.14 0.00 -2.27 0.00 0.00 64.05 61.17 2eeh n THR 61 Cb 0.47 -0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 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 -3.01 1.09 -0.23 -0.78 2.12 -1.14 -1.47 118.70 115.28 2eeh s GLU 62 Ca -0.02 -0.24 -0.23 0.00 0.36 0.00 0.00 54.97 54.84 2eeh s GLU 62 Cb 0.09 0.50 0.06 0.00 0.26 0.00 0.00 34.13 35.04 2eeh s GLU 62 CO 0.81 -0.41 0.64 0.54 -0.54 0.00 0.00 175.26 176.30 2eeh s VAL 63 N -2.62 0.00 -1.62 3.70 0.11 -0.49 -0.42 120.40 119.05 2eeh s VAL 63 Ca -0.04 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 2eeh s VAL 63 Cb -0.00 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 2eeh s VAL 63 CO -0.03 -0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.54 2eeh n ASN 64 N 2.62 -4.70 0.00 3.54 2.85 -0.69 -0.69 115.26 118.18 2eeh n ASN 64 Ca -0.14 0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.71 2eeh n ASN 64 Cb 0.56 -4.03 0.00 0.00 1.24 0.00 0.00 39.78 37.55 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 -0.17 2.61 3.68 8.20 0.00 -1.26 -5.00 105.19 113.25 2eeh n GLY 65 Ca -0.15 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 0.09 0.99 2.01 0.13 -4.95 118.68 121.30 2eeh s LEU 66 Ca 0.00 2.41 -0.30 0.00 0.01 0.00 0.00 54.13 56.25 2eeh s LEU 66 Cb 0.00 -3.56 -0.06 0.00 0.01 0.00 0.00 46.19 42.59 2eeh s LEU 66 CO 0.00 -0.89 1.06 -0.94 1.01 0.00 0.00 176.35 176.60 2eeh s SER 67 N 2.63 7.30 -0.31 2.29 1.04 -1.26 -1.40 113.70 123.99 2eeh s SER 67 Ca 0.74 1.90 0.08 0.00 0.48 0.00 0.00 55.95 59.14 2eeh s SER 67 Cb -0.38 -2.59 0.50 0.00 0.10 0.00 0.00 66.02 63.65 2eeh s SER 67 CO 0.32 -0.26 1.46 0.18 0.98 0.00 0.00 173.24 175.92 2eeh n LEU 68 N 3.25 4.39 0.06 2.42 4.77 -0.54 -4.57 117.00 126.77 2eeh n LEU 68 Ca 0.05 -3.94 0.12 0.00 -0.03 0.00 0.00 56.01 52.21 2eeh n LEU 68 Cb 0.48 -0.62 0.48 0.00 -2.33 0.00 0.00 43.42 41.43 2eeh n LEU 68 CO 0.53 1.39 0.88 -0.62 -1.33 0.00 0.00 177.39 178.25 2eeh n GLU 69 N -1.07 0.12 -1.21 3.23 1.02 -1.21 -3.66 120.64 117.86 2eeh n GLU 69 Ca 0.36 0.18 -0.03 0.00 -0.02 0.00 0.00 57.16 57.66 2eeh n GLU 69 Cb 1.00 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.72 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 -1.89 -0.20 -4.82 1.62 2.88 -1.26 -4.57 113.62 105.38 2eeh n SER 70 Ca 0.05 -2.00 -0.22 0.00 -1.33 0.00 0.00 58.87 55.37 2eeh n SER 70 Cb 0.33 0.06 -0.04 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.01 4.45 0.00 2.46 2.01 -1.24 -5.04 115.64 118.27 2eeh s THR 71 Ca 0.14 -1.41 0.00 0.00 0.31 0.00 0.00 61.69 60.73 2eeh s THR 71 Cb 0.16 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.26 2eeh s THR 71 CO -0.07 -0.35 0.00 0.35 -0.69 0.00 0.00 174.62 173.86 2eeh n THR 72 N -1.18 0.00 -0.13 -0.82 -2.24 -1.26 -4.49 114.28 104.17 2eeh n THR 72 Ca -0.08 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.45 2eeh n THR 72 Cb 0.58 -1.89 -0.09 0.00 -2.10 0.00 0.00 70.33 66.83 2eeh n THR 72 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2eeh n MET 73 N -0.61 0.57 -0.11 -0.78 1.56 -1.26 -4.01 117.12 112.49 2eeh n MET 73 Ca 0.00 0.30 -0.12 0.00 -0.27 0.00 0.00 57.70 57.61 2eeh n MET 73 Cb 0.00 -1.52 -0.09 0.00 2.15 0.00 0.00 33.22 33.76 2eeh n MET 73 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 2eeh h GLY 74 N -1.00 -1.13 -0.03 -5.12 0.00 -1.98 0.96 103.07 94.77 2eeh h GLY 74 Ca -0.54 0.73 0.05 0.00 0.00 0.00 0.00 47.33 47.57 2eeh h GLY 74 CO -0.33 -0.20 -0.39 1.76 0.00 0.00 0.00 176.54 177.38 2eeh h SER 75 N -0.37 -1.24 -0.35 0.19 0.02 -1.99 0.13 113.55 109.93 2eeh h SER 75 Ca 0.06 0.18 0.08 0.00 -0.84 0.00 0.00 61.79 61.26 2eeh h SER 75 Cb 0.53 0.52 -0.08 0.00 0.14 0.00 0.00 62.40 63.52 2eeh h SER 75 CO -0.50 -0.39 -0.18 0.00 -1.14 0.00 0.00 176.83 174.62 2eeh h ALA 76 N 0.31 0.08 -0.24 3.77 0.00 -1.46 -1.45 119.26 120.26 2eeh h ALA 76 Ca 0.10 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2eeh h ALA 76 Cb 0.59 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 2eeh h ALA 76 CO -0.43 -0.56 -0.46 0.28 0.00 0.00 0.00 179.25 178.08 2eeh h VAL 77 N -0.13 0.09 -0.07 0.00 2.07 0.22 1.48 116.25 119.93 2eeh h VAL 77 Ca 0.18 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.70 2eeh h VAL 77 Cb 0.40 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2eeh h VAL 77 CO -0.43 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 177.61 2eeh h LYS 78 N -0.45 -0.01 -0.97 1.57 3.64 0.21 1.65 116.57 122.19 2eeh h LYS 78 Ca 0.09 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.64 2eeh h LYS 78 Cb 0.62 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.36 2eeh h LYS 78 CO -0.48 -0.01 0.61 0.28 -2.27 0.00 0.00 179.45 177.59 2eeh h VAL 79 N -0.01 0.76 0.00 2.00 2.07 -0.90 1.94 116.25 122.11 2eeh h VAL 79 Ca 0.01 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2eeh h VAL 79 Cb 0.04 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2eeh h VAL 79 CO -0.07 0.13 -0.09 -0.07 0.02 0.00 0.00 177.57 177.50 2eeh h LEU 80 N 0.74 0.00 -2.29 2.57 3.38 0.67 -0.74 115.31 119.64 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 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2eeh h LEU 80 CO -0.30 0.09 0.00 1.07 0.09 0.00 0.00 178.44 179.39 2eeh n THR 81 N -3.97 0.59 -3.72 0.22 5.66 0.52 -4.73 114.28 108.85 2eeh n THR 81 Ca -0.02 -0.79 -0.28 0.00 -3.05 0.00 0.00 64.05 59.91 2eeh n THR 81 Cb 0.18 0.81 -0.11 0.00 -1.55 0.00 0.00 70.33 69.66 2eeh n THR 81 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2eeh n SER 82 N 0.62 2.62 0.00 1.09 7.64 0.57 -5.00 113.62 121.16 2eeh n SER 82 Ca 0.10 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.85 2eeh n SER 82 Cb 0.38 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2eeh n SER 82 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2eeh n SER 83 N 1.83 0.00 -0.00 6.43 2.88 -1.25 -4.71 113.62 118.79 2eeh n SER 83 Ca 0.23 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.87 2eeh n SER 83 Cb 0.38 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.71 2eeh n SER 83 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2eeh n SER 84 N 0.00 0.76 -3.25 -3.46 2.88 -1.26 -4.13 113.62 105.15 2eeh n SER 84 Ca 0.00 -0.74 -0.05 0.00 -1.33 0.00 0.00 58.87 56.75 2eeh n SER 84 Cb 0.00 1.24 -0.03 0.00 -0.75 0.00 0.00 64.21 64.67 2eeh n SER 84 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2eeh s ARG 85 N -3.10 0.72 0.26 -1.46 0.52 -1.26 -4.44 118.95 110.20 2eeh s ARG 85 Ca 0.04 -0.35 -0.21 0.00 -0.52 0.00 0.00 55.73 54.69 2eeh s ARG 85 Cb 0.15 -0.15 -0.09 0.00 0.52 0.00 0.00 34.95 35.38 2eeh s ARG 85 CO 0.86 -1.17 0.80 -0.51 0.02 0.00 0.00 175.30 175.30 2eeh s LEU 86 N 1.84 4.32 -0.47 2.53 1.43 -0.98 -4.96 118.68 122.39 2eeh s LEU 86 Ca 0.15 1.54 0.03 0.00 -1.03 0.00 0.00 54.13 54.82 2eeh s LEU 86 Cb -0.08 -3.76 0.13 0.00 0.03 0.00 0.00 46.19 42.51 2eeh s LEU 86 CO -0.09 -0.02 0.25 -1.00 0.23 0.00 0.00 176.35 175.72 2eeh s HIS 87 N -1.59 2.38 0.07 0.29 3.76 -1.26 -2.59 115.29 116.35 2eeh s HIS 87 Ca 0.46 -2.67 -0.15 0.00 -0.15 0.00 0.00 55.06 52.54 2eeh s HIS 87 Cb -0.17 -2.19 -0.06 0.00 1.11 0.00 0.00 32.58 31.27 2eeh s HIS 87 CO 0.21 -0.77 0.50 -1.64 -0.85 0.00 0.00 174.74 172.20 2eeh s MET 88 N 0.12 4.00 -0.11 1.40 -1.94 -1.16 -1.71 119.30 119.90 2eeh s MET 88 Ca 0.18 0.51 -0.00 0.00 -1.71 0.00 0.00 55.69 54.66 2eeh s MET 88 Cb -0.24 -3.11 0.02 0.00 2.01 0.00 0.00 34.83 33.51 2eeh s MET 88 CO -0.00 0.60 -0.09 -1.64 -0.01 0.00 0.00 175.02 173.88 2eeh s MET 89 N -1.44 1.63 0.36 2.03 -1.94 0.44 -3.17 119.30 117.19 2eeh s MET 89 Ca 0.30 -0.30 0.07 0.00 -1.71 0.00 0.00 55.69 54.06 2eeh s MET 89 Cb -0.17 -1.63 -0.01 0.00 2.01 0.00 0.00 34.83 35.02 2eeh s MET 89 CO 0.17 -0.24 0.41 0.14 -0.01 0.00 0.00 175.02 175.49 2eeh s VAL 90 N 1.61 3.57 -0.33 -6.03 -7.23 -1.23 -1.64 120.40 109.12 2eeh s VAL 90 Ca 0.04 -1.17 0.04 0.00 -1.81 0.00 0.00 61.98 59.07 2eeh s VAL 90 Cb -0.13 -3.23 0.09 0.00 0.56 0.00 0.00 36.38 33.68 2eeh s VAL 90 CO -0.08 -0.12 0.02 -0.13 -0.31 0.00 0.00 175.10 174.48 2eeh s ARG 91 N -4.13 1.60 -0.01 4.82 0.52 -1.24 -2.22 118.95 118.29 2eeh s ARG 91 Ca 0.45 -1.79 0.01 0.00 -0.52 0.00 0.00 55.73 53.89 2eeh s ARG 91 Cb -0.07 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 2eeh s ARG 91 CO 0.29 -0.88 0.01 0.50 0.02 0.00 0.00 175.30 175.24 2eeh s ARG 92 N 0.94 2.84 0.90 3.54 3.52 -1.01 -4.87 118.95 124.80 2eeh s ARG 92 Ca 0.08 -0.58 -0.11 0.00 -0.13 0.00 0.00 55.73 54.99 2eeh s ARG 92 Cb -0.19 -2.70 0.13 0.00 -1.56 0.00 0.00 34.95 30.63 2eeh s ARG 92 CO -0.08 0.63 1.10 -1.64 -0.81 0.00 0.00 175.30 174.51 2eeh s MET 93 N -1.51 1.21 0.00 5.12 -1.94 -1.26 -1.73 119.30 119.19 2eeh s MET 93 Ca 0.19 1.10 0.00 0.00 -1.71 0.00 0.00 55.69 55.27 2eeh s MET 93 Cb -0.12 -1.78 0.00 0.00 2.01 0.00 0.00 34.83 34.94 2eeh s MET 93 CO 0.10 -2.35 0.00 0.41 -0.01 0.00 0.00 175.02 173.17 2eeh n GLY 94 N -0.59 -1.27 0.39 -0.03 0.00 -1.26 -4.27 105.19 98.16 2eeh n GLY 94 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 2eeh n GLY 94 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2eeh h SER 95 N 0.00 -0.82 -3.37 1.61 0.87 -1.99 -3.50 113.55 106.35 2eeh h SER 95 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2eeh h SER 95 Cb 0.00 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2eeh h SER 95 CO 0.00 -0.49 -0.22 0.61 -0.53 0.00 0.00 176.83 176.20 2eeh n GLY 96 N -0.88 -3.46 3.77 5.77 0.00 -1.26 -5.05 105.19 104.08 2eeh n GLY 96 Ca -0.12 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.66 -0.05 -0.14 1.61 0.04 -1.26 -4.80 135.00 128.74 2eeh s PRO 97 Ca -0.00 -0.16 -0.07 0.00 0.04 0.00 0.00 61.00 60.81 2eeh s PRO 97 Cb 0.00 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.83 2eeh s PRO 97 CO 0.01 -2.92 0.15 0.43 0.04 0.00 0.00 177.00 174.71 2eeh n SER 98 N -4.18 -1.62 -4.79 6.66 7.64 -1.26 -4.97 113.62 111.10 2eeh n SER 98 Ca 0.13 0.92 -0.34 0.00 1.01 0.00 0.00 58.87 60.60 2eeh n SER 98 Cb 0.59 -3.91 -0.02 0.00 -1.01 0.00 0.00 64.21 59.87 2eeh n SER 98 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2eeh s SER 99 N -0.56 6.07 0.00 6.43 1.04 -1.26 -5.27 113.70 120.16 2eeh s SER 99 Ca -0.17 1.93 0.00 0.00 0.48 0.00 0.00 55.95 58.19 2eeh s SER 99 Cb 0.01 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2eeh s SER 99 CO 0.54 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.40