#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 5.86 -0.30 1.61 0.15 -1.26 -5.04 113.70 114.72 2eeh s SER 2 Ca 0.00 1.88 -0.19 0.00 0.70 0.00 0.00 55.95 58.34 2eeh s SER 2 Cb 0.00 -2.54 0.17 0.00 -1.71 0.00 0.00 66.02 61.94 2eeh s SER 2 CO 0.00 -1.12 1.26 -0.55 1.20 0.00 0.00 173.24 174.03 2eeh s SER 3 N -2.53 -0.03 0.00 5.45 0.15 -1.26 -5.18 113.70 110.30 2eeh s SER 3 Ca 0.65 0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2eeh s SER 3 Cb -0.17 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 2eeh s SER 3 CO 0.33 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.37 2eeh n GLY 4 N 5.38 4.49 3.40 9.45 0.00 -1.26 -5.15 105.19 121.50 2eeh n GLY 4 Ca -0.09 -2.03 -0.06 0.00 0.00 0.00 0.00 46.02 43.84 2eeh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eeh s SER 5 N -0.13 -0.58 0.01 1.61 0.15 -1.26 -5.16 113.70 108.34 2eeh s SER 5 Ca 0.00 1.20 -0.28 0.00 0.70 0.00 0.00 55.95 57.57 2eeh s SER 5 Cb 0.00 1.70 0.10 0.00 -1.71 0.00 0.00 66.02 66.11 2eeh s SER 5 CO 0.00 -0.23 0.89 -0.44 1.20 0.00 0.00 173.24 174.66 2eeh s SER 6 N 2.72 -0.36 0.00 5.45 0.01 -1.26 -5.12 113.70 115.14 2eeh s SER 6 Ca -0.03 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2eeh s SER 6 Cb -0.12 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2eeh s SER 6 CO -0.15 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.47 2eeh n GLY 7 N -0.26 -0.85 1.14 3.44 0.00 -1.26 -5.00 105.19 102.41 2eeh n GLY 7 Ca -0.09 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2eeh n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eeh n SER 8 N 0.00 0.30 -4.58 1.61 7.64 -1.26 -5.02 113.62 112.32 2eeh n SER 8 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 2eeh n SER 8 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -4.35 6.51 0.85 6.43 1.01 -1.26 -4.76 116.67 121.10 2eeh s ASP 9 Ca 0.00 0.17 -0.11 0.00 0.71 0.00 0.00 52.55 53.33 2eeh s ASP 9 Cb 0.00 -2.52 0.10 0.00 1.01 0.00 0.00 42.92 41.52 2eeh s ASP 9 CO 0.00 -1.28 1.11 -0.63 0.21 0.00 0.00 175.17 174.57 2eeh s ILE 10 N 4.41 2.79 -0.01 0.77 1.09 -1.17 -4.64 121.20 124.44 2eeh s ILE 10 Ca 0.42 0.26 -0.04 0.00 -1.10 0.00 0.00 60.65 60.19 2eeh s ILE 10 Cb -0.08 -2.57 -0.04 0.00 -1.06 0.00 0.00 42.46 38.70 2eeh s ILE 10 CO 0.27 -0.34 0.20 -0.63 -0.10 0.00 0.00 174.94 174.35 2eeh s ILE 11 N -2.81 5.41 -0.06 2.92 -1.09 -1.26 -2.43 121.20 121.88 2eeh s ILE 11 Ca 0.63 -0.06 0.04 0.00 -2.23 0.00 0.00 60.65 59.03 2eeh s ILE 11 Cb -0.19 -3.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 2eeh s ILE 11 CO 0.57 0.35 -0.16 -1.00 -1.23 0.00 0.00 174.94 173.48 2eeh s HIS 12 N -1.30 2.67 -0.12 3.97 3.76 -0.74 -4.97 115.29 118.56 2eeh s HIS 12 Ca 0.26 -0.31 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 2eeh s HIS 12 Cb -0.13 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.87 2eeh s HIS 12 CO 0.17 0.07 0.04 -1.54 -0.85 0.00 0.00 174.74 172.62 2eeh s SER 13 N -0.49 5.51 0.03 1.40 1.04 -1.26 -3.17 113.70 116.76 2eeh s SER 13 Ca 0.06 0.16 -0.08 0.00 0.48 0.00 0.00 55.95 56.57 2eeh s SER 13 Cb -0.12 -1.74 -0.00 0.00 0.10 0.00 0.00 66.02 64.26 2eeh s SER 13 CO 0.02 0.31 0.16 0.54 0.98 0.00 0.00 173.24 175.24 2eeh s VAL 14 N -0.46 0.11 -0.21 5.02 0.11 -1.21 -4.91 120.40 118.85 2eeh s VAL 14 Ca 0.09 -0.91 -0.03 0.00 -2.93 0.00 0.00 61.98 58.21 2eeh s VAL 14 Cb -0.12 -0.82 0.07 0.00 -1.53 0.00 0.00 36.38 33.98 2eeh s VAL 14 CO 0.02 -0.50 0.04 -0.13 -3.33 0.00 0.00 175.10 171.20 2eeh s ARG 15 N -2.34 0.67 -0.11 1.54 0.52 -1.25 -3.23 118.95 114.74 2eeh s ARG 15 Ca -0.07 -0.51 -0.04 0.00 -0.52 0.00 0.00 55.73 54.59 2eeh s ARG 15 Cb -0.02 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 2eeh s ARG 15 CO -0.03 -0.69 0.04 0.08 0.02 0.00 0.00 175.30 174.72 2eeh s VAL 16 N 1.83 4.66 -0.02 3.52 1.01 -0.88 -4.48 120.40 126.03 2eeh s VAL 16 Ca 0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 2eeh s VAL 16 Cb -0.17 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2eeh s VAL 16 CO -0.11 0.59 0.57 -0.70 0.00 0.00 0.00 175.10 175.45 2eeh s GLU 17 N -0.73 4.30 0.18 2.72 2.12 -1.26 -1.19 118.70 124.84 2eeh s GLU 17 Ca 0.12 0.68 -0.30 0.00 0.36 0.00 0.00 54.97 55.83 2eeh s GLU 17 Cb -0.12 -3.35 -0.08 0.00 0.26 0.00 0.00 34.13 30.85 2eeh s GLU 17 CO 0.02 0.35 1.14 -1.59 -0.54 0.00 0.00 175.26 174.64 2eeh s LYS 18 N -0.10 4.55 0.23 4.30 0.00 -1.25 -4.79 119.74 122.68 2eeh s LYS 18 Ca 0.30 1.77 -0.03 0.00 0.00 0.00 0.00 55.97 58.01 2eeh s LYS 18 Cb -0.18 -3.27 -0.05 0.00 0.00 0.00 0.00 37.83 34.34 2eeh s LYS 18 CO 0.16 0.01 0.45 -1.54 0.00 0.00 0.00 175.35 174.43 2eeh s SER 19 N 0.01 6.43 0.09 0.03 1.04 -1.26 -4.98 113.70 115.06 2eeh s SER 19 Ca 0.51 0.55 0.23 0.00 0.48 0.00 0.00 55.95 57.72 2eeh s SER 19 Cb -0.30 -2.08 0.92 0.00 0.10 0.00 0.00 66.02 64.66 2eeh s SER 19 CO 0.35 -0.09 1.72 -0.81 0.98 0.00 0.00 173.24 175.39 2eeh n PRO 20 N -0.65 0.09 0.25 4.02 -0.04 -1.26 -3.45 135.00 133.96 2eeh n PRO 20 Ca -0.03 0.20 -0.12 0.00 -0.04 0.00 0.00 63.50 63.51 2eeh n PRO 20 Cb 0.53 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 2eeh n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eeh h ALA 21 N 2.62 -0.68 0.00 0.55 0.00 -2.03 -3.48 119.26 116.24 2eeh h ALA 21 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2eeh h ALA 21 Cb 0.44 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2eeh h ALA 21 CO 0.00 -0.67 0.00 0.41 0.00 0.00 0.00 179.25 178.99 2eeh n GLY 22 N -0.16 0.27 0.00 0.00 0.00 -1.22 -5.16 105.19 98.92 2eeh n GLY 22 Ca -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -1.12 1.61 0.63 -1.26 -5.10 116.66 111.41 2eeh n ARG 23 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 2eeh n ARG 23 Cb 0.00 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.04 2eeh n ARG 23 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2eeh s LEU 24 N 0.00 2.50 0.00 6.15 1.43 -1.26 -4.44 118.68 123.06 2eeh s LEU 24 Ca 0.00 1.69 0.18 0.00 -1.03 0.00 0.00 54.13 54.97 2eeh s LEU 24 Cb 0.00 -4.16 1.08 0.00 0.03 0.00 0.00 46.19 43.14 2eeh s LEU 24 CO 0.00 -2.59 1.63 0.61 0.23 0.00 0.00 176.35 176.23 2eeh n GLY 25 N -0.88 -0.90 3.11 -3.19 0.00 -1.26 -4.76 105.19 97.30 2eeh n GLY 25 Ca 0.08 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 0.78 -0.13 1.61 -0.71 -1.26 -1.05 117.98 115.21 2eeh s PHE 26 Ca 0.27 -0.68 -0.06 0.00 -1.04 0.00 0.00 56.93 55.42 2eeh s PHE 26 Cb 0.12 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.44 2eeh s PHE 26 CO 0.21 -0.11 0.09 0.45 -1.34 0.00 0.00 175.22 174.52 2eeh s SER 27 N -2.22 5.96 0.34 1.98 0.15 0.41 -4.95 113.70 115.36 2eeh s SER 27 Ca -0.00 0.30 0.08 0.00 0.70 0.00 0.00 55.95 57.03 2eeh s SER 27 Cb -0.03 -1.91 -0.05 0.00 -1.71 0.00 0.00 66.02 62.32 2eeh s SER 27 CO -0.02 0.34 0.10 0.68 1.20 0.00 0.00 173.24 175.54 2eeh s VAL 28 N -0.59 2.94 0.21 4.45 -7.23 -1.26 -0.16 120.40 118.76 2eeh s VAL 28 Ca 0.12 -1.77 0.05 0.00 -1.81 0.00 0.00 61.98 58.57 2eeh s VAL 28 Cb -0.12 -2.93 -0.05 0.00 0.56 0.00 0.00 36.38 33.84 2eeh s VAL 28 CO 0.02 -0.19 -0.07 0.00 -0.31 0.00 0.00 175.10 174.55 2eeh s ARG 29 N -3.81 1.30 7.86 4.82 1.70 0.55 -4.75 118.95 126.62 2eeh s ARG 29 Ca 0.37 -1.62 0.00 0.00 -0.47 0.00 0.00 55.73 54.01 2eeh s ARG 29 Cb -0.02 -0.84 0.00 0.00 -0.57 0.00 0.00 34.95 33.52 2eeh s ARG 29 CO 0.22 0.04 0.00 0.41 -1.08 0.00 0.00 175.30 174.89 2eeh n GLY 30 N -0.38 3.60 1.34 3.88 0.00 -1.26 -3.66 105.19 108.71 2eeh n GLY 30 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.57 3.60 -0.02 0.00 -1.23 -4.83 105.19 100.15 2eeh n GLY 31 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 2eeh n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eeh s SER 32 N 0.00 -0.36 -0.84 1.61 0.15 -1.26 -3.18 113.70 109.82 2eeh s SER 32 Ca 0.00 0.49 -0.21 0.00 0.70 0.00 0.00 55.95 56.93 2eeh s SER 32 Cb 0.00 0.43 -0.19 0.00 -1.71 0.00 0.00 66.02 64.55 2eeh s SER 32 CO 0.00 -0.26 2.31 -0.62 1.20 0.00 0.00 173.24 175.87 2eeh n GLU 33 N 1.15 0.39 0.11 5.44 1.02 -1.26 -4.13 120.64 123.35 2eeh n GLU 33 Ca -0.10 -0.66 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 2eeh n GLU 33 Cb 0.57 -2.98 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 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 15.24 -2.02 0.00 -0.32 8.25 -1.26 -5.06 115.22 130.05 2eeh n HIS 34 Ca 0.51 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 58.34 2eeh n HIS 34 Cb 0.36 0.62 0.00 0.00 1.12 0.00 0.00 29.99 32.09 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 1.45 0.50 0.10 -1.41 0.00 -1.24 -4.98 105.19 99.61 2eeh n GLY 35 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2eeh n GLY 35 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2eeh h LEU 36 N 0.00 0.08 0.00 0.99 8.10 -1.85 -3.41 115.31 119.22 2eeh h LEU 36 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.01 2eeh h LEU 36 Cb 0.00 0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 2eeh h LEU 36 CO 0.00 0.07 0.00 0.61 -4.11 0.00 0.00 178.44 175.01 2eeh n GLY 37 N -1.16 0.97 3.25 0.17 0.00 -1.22 -4.84 105.19 102.36 2eeh n GLY 37 Ca -0.03 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 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 1.72 0.01 -0.61 -1.09 -1.14 -3.50 121.20 116.59 2eeh s ILE 38 Ca 0.00 -1.11 0.02 0.00 -2.23 0.00 0.00 60.65 57.34 2eeh s ILE 38 Cb 0.00 -1.47 -0.01 0.00 -1.58 0.00 0.00 42.46 39.40 2eeh s ILE 38 CO 0.00 0.33 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.60 2eeh s PHE 39 N -0.68 0.69 0.30 3.97 0.40 -1.24 -0.81 117.98 120.61 2eeh s PHE 39 Ca 0.08 -0.23 -0.24 0.00 -0.60 0.00 0.00 56.93 55.95 2eeh s PHE 39 Cb -0.09 -0.43 -0.09 0.00 0.51 0.00 0.00 43.02 42.92 2eeh s PHE 39 CO 0.01 -0.02 0.88 0.08 0.70 0.00 0.00 175.22 176.86 2eeh s VAL 40 N -0.50 4.34 0.00 -0.44 1.01 0.12 -0.33 120.40 124.60 2eeh s VAL 40 Ca -0.00 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.60 2eeh s VAL 40 Cb -0.05 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2eeh s VAL 40 CO 0.00 0.12 0.00 -1.54 0.00 0.00 0.00 175.10 173.68 2eeh n SER 41 N 0.50 0.03 -4.10 3.32 3.41 0.78 -4.20 113.62 113.35 2eeh n SER 41 Ca 0.01 0.01 -0.11 0.00 -0.26 0.00 0.00 58.87 58.52 2eeh n SER 41 Cb 0.51 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 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 -2.00 0.65 -0.24 4.33 2.47 -0.90 -4.68 119.74 119.38 2eeh s LYS 42 Ca 0.00 -1.04 -0.03 0.00 -1.56 0.00 0.00 55.97 53.34 2eeh s LYS 42 Cb 0.00 -0.16 0.08 0.00 -1.46 0.00 0.00 37.83 36.29 2eeh s LYS 42 CO 0.00 -0.01 0.08 0.08 0.16 0.00 0.00 175.35 175.66 2eeh s VAL 43 N -2.64 0.39 0.44 4.02 1.01 -1.26 0.16 120.40 122.51 2eeh s VAL 43 Ca 0.01 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 2eeh s VAL 43 Cb -0.01 -1.09 -0.14 0.00 0.00 0.00 0.00 36.38 35.14 2eeh s VAL 43 CO -0.03 -0.43 -0.08 1.21 0.00 0.00 0.00 175.10 175.77 2eeh n GLU 44 N 5.08 0.00 -2.70 2.72 2.13 -0.22 -4.87 120.64 122.78 2eeh n GLU 44 Ca -0.07 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.39 2eeh n GLU 44 Cb 0.45 -0.91 -0.06 0.00 0.27 0.00 0.00 31.44 31.19 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 -0.91 4.37 -1.03 5.31 8.01 -1.26 -3.31 118.70 129.87 2eeh s GLU 45 Ca 0.52 1.36 0.00 0.00 0.01 0.00 0.00 54.97 56.86 2eeh s GLU 45 Cb -0.48 -2.59 0.00 0.00 -4.31 0.00 0.00 34.13 26.75 2eeh s GLU 45 CO 0.60 0.07 0.00 0.41 0.01 0.00 0.00 175.26 176.35 2eeh n GLY 46 N 0.26 0.35 3.90 -1.39 0.00 -1.26 -4.91 105.19 102.14 2eeh n GLY 46 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.95 5.69 0.52 1.61 1.04 -1.21 -4.95 113.70 114.45 2eeh s SER 47 Ca 0.00 1.01 0.23 0.00 0.48 0.00 0.00 55.95 57.67 2eeh s SER 47 Cb 0.00 -1.96 1.40 0.00 0.10 0.00 0.00 66.02 65.56 2eeh s SER 47 CO 0.00 -1.10 2.10 0.77 0.98 0.00 0.00 173.24 175.99 2eeh h SER 48 N -0.36 0.00 0.38 7.02 4.64 -1.90 -2.68 113.55 120.65 2eeh h SER 48 Ca -0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 2eeh h SER 48 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2eeh h SER 48 CO 0.62 0.10 -0.18 0.00 -0.87 0.00 0.00 176.83 176.50 2eeh h ALA 49 N 1.90 -0.77 -1.55 5.18 0.00 -1.90 1.35 119.26 123.48 2eeh h ALA 49 Ca -0.00 -0.11 0.45 0.00 0.00 0.00 0.00 54.91 55.25 2eeh h ALA 49 Cb 0.21 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 2eeh h ALA 49 CO 0.01 -0.73 1.11 1.49 0.00 0.00 0.00 179.25 181.14 2eeh h GLU 50 N -0.73 0.01 0.07 0.00 4.81 -1.55 1.46 114.58 118.65 2eeh h GLU 50 Ca -0.05 -0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.86 2eeh h GLU 50 Cb 0.39 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2eeh h GLU 50 CO 0.09 0.01 -1.75 0.00 -0.73 0.00 0.00 179.01 176.62 2eeh h ARG 51 N 0.01 0.14 0.00 1.92 3.08 -1.32 -3.31 114.38 114.91 2eeh h ARG 51 Ca 0.75 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.55 2eeh h ARG 51 Cb 2.96 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 33.10 2eeh h ARG 51 CO -0.04 0.88 -0.04 0.00 -1.07 0.00 0.00 179.97 179.70 2eeh h ALA 52 N 0.58 1.16 0.00 0.04 0.00 1.23 -3.45 119.26 118.82 2eeh h ALA 52 Ca -0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2eeh h ALA 52 Cb 2.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2eeh h ALA 52 CO 0.10 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2eeh n GLY 53 N -0.75 1.52 3.77 0.00 0.00 0.61 -3.75 105.19 106.59 2eeh n GLY 53 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 3.60 0.00 0.99 2.96 -0.55 -4.94 118.68 120.73 2eeh s LEU 54 Ca 0.00 2.10 -0.07 0.00 -0.22 0.00 0.00 54.13 55.95 2eeh s LEU 54 Cb 0.00 -4.57 0.03 0.00 0.50 0.00 0.00 46.19 42.15 2eeh s LEU 54 CO 0.00 -1.39 0.37 0.00 -1.32 0.00 0.00 176.35 174.00 2eeh s VAL 56 N -2.58 4.51 0.00 0.00 1.01 -1.26 -4.04 120.40 118.05 2eeh s VAL 56 Ca 0.08 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.42 2eeh s VAL 56 Cb -0.02 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2eeh s VAL 56 CO 0.06 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2eeh n GLY 57 N 0.64 0.94 3.54 4.51 0.00 -1.26 -4.83 105.19 108.72 2eeh n GLY 57 Ca -0.01 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.66 4.17 -0.29 1.61 1.01 -1.26 -5.01 116.67 114.24 2eeh s ASP 58 Ca 0.00 -0.48 0.02 0.00 0.71 0.00 0.00 52.55 52.80 2eeh s ASP 58 Cb 0.00 -0.70 0.08 0.00 1.01 0.00 0.00 42.92 43.31 2eeh s ASP 58 CO 0.00 0.17 0.01 -0.75 0.21 0.00 0.00 175.17 174.81 2eeh s LYS 59 N -2.26 1.43 -0.21 8.23 2.20 -1.26 0.16 119.74 128.03 2eeh s LYS 59 Ca 0.20 -1.38 -0.29 0.00 -0.36 0.00 0.00 55.97 54.15 2eeh s LYS 59 Cb -0.11 -2.72 -0.02 0.00 -1.51 0.00 0.00 37.83 33.47 2eeh s LYS 59 CO 0.12 -0.81 1.47 0.42 -0.36 0.00 0.00 175.35 176.20 2eeh s ILE 60 N 1.23 3.91 -0.19 5.43 1.01 0.01 -3.13 121.20 129.47 2eeh s ILE 60 Ca 0.04 1.05 0.14 0.00 0.00 0.00 0.00 60.65 61.88 2eeh s ILE 60 Cb -0.19 -3.84 -0.24 0.00 0.01 0.00 0.00 42.46 38.21 2eeh s ILE 60 CO -0.11 -0.27 0.11 0.35 0.00 0.00 0.00 174.94 175.02 2eeh n THR 61 N 6.01 1.45 -3.80 2.92 -2.24 0.11 -2.89 114.28 115.84 2eeh n THR 61 Ca 0.17 -0.80 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 2eeh n THR 61 Cb 0.45 -0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 67.88 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 -2.51 0.74 0.02 -0.78 2.12 -1.01 -0.05 118.70 117.23 2eeh s GLU 62 Ca -0.13 -0.54 -0.11 0.00 0.36 0.00 0.00 54.97 54.55 2eeh s GLU 62 Cb 0.07 0.32 0.01 0.00 0.26 0.00 0.00 34.13 34.78 2eeh s GLU 62 CO 0.79 -0.23 0.22 0.08 -0.54 0.00 0.00 175.26 175.59 2eeh s VAL 63 N -2.45 0.09 -0.15 3.70 1.01 0.49 0.14 120.40 123.23 2eeh s VAL 63 Ca -0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 2eeh s VAL 63 Cb -0.01 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.63 2eeh s VAL 63 CO -0.03 -0.40 0.05 0.59 0.00 0.00 0.00 175.10 175.30 2eeh n ASN 64 N 0.95 -1.01 0.00 3.32 4.13 -0.56 0.19 115.26 122.28 2eeh n ASN 64 Ca -0.20 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.40 2eeh n ASN 64 Cb 0.58 -1.00 0.00 0.00 -1.54 0.00 0.00 39.78 37.82 2eeh n ASN 64 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2eeh n GLY 65 N -0.52 1.78 3.67 7.41 0.00 -1.26 -4.97 105.19 111.30 2eeh n GLY 65 Ca 0.01 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 4.38 0.19 0.99 2.01 0.51 -4.93 118.68 121.83 2eeh s LEU 66 Ca 0.00 2.54 -0.30 0.00 0.01 0.00 0.00 54.13 56.38 2eeh s LEU 66 Cb 0.00 -3.55 -0.08 0.00 0.01 0.00 0.00 46.19 42.57 2eeh s LEU 66 CO 0.00 -0.97 1.23 -0.94 1.01 0.00 0.00 176.35 176.68 2eeh s SER 67 N 3.35 7.02 -0.37 2.29 1.04 -1.26 -0.38 113.70 125.40 2eeh s SER 67 Ca 0.80 2.29 0.05 0.00 0.48 0.00 0.00 55.95 59.57 2eeh s SER 67 Cb -0.40 -2.61 0.46 0.00 0.10 0.00 0.00 66.02 63.57 2eeh s SER 67 CO 0.35 -0.42 1.40 0.18 0.98 0.00 0.00 173.24 175.73 2eeh n LEU 68 N 2.52 5.33 0.08 2.42 4.77 0.93 -4.64 117.00 128.40 2eeh n LEU 68 Ca 0.05 -4.52 -0.06 0.00 -0.03 0.00 0.00 56.01 51.45 2eeh n LEU 68 Cb 0.44 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 2eeh n LEU 68 CO 0.56 1.86 0.21 -0.33 -1.33 0.00 0.00 177.39 178.37 2eeh h GLU 69 N 1.97 0.01 -0.72 3.23 5.08 -1.82 -3.29 114.58 119.03 2eeh h GLU 69 Ca 0.39 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.43 2eeh h GLU 69 Cb 1.38 0.01 -0.39 0.00 0.50 0.00 0.00 28.75 30.24 2eeh h GLU 69 CO 0.86 0.92 -1.14 0.45 -1.00 0.00 0.00 179.01 179.11 2eeh n SER 70 N -3.46 1.40 -4.41 1.42 2.88 -1.26 -3.42 113.62 106.76 2eeh n SER 70 Ca -0.01 -2.40 -0.30 0.00 -1.33 0.00 0.00 58.87 54.84 2eeh n SER 70 Cb 0.87 -0.46 -0.13 0.00 -0.75 0.00 0.00 64.21 63.74 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 -3.31 2.46 0.94 2.46 2.01 -1.26 -4.79 115.64 114.14 2eeh s THR 71 Ca 0.27 -1.53 -0.12 0.00 0.31 0.00 0.00 61.69 60.62 2eeh s THR 71 Cb 0.40 -2.06 0.15 0.00 0.01 0.00 0.00 72.50 71.00 2eeh s THR 71 CO 0.00 0.19 1.09 0.28 -0.69 0.00 0.00 174.62 175.49 2eeh s THR 72 N -1.00 2.48 0.01 -0.82 -1.32 -1.26 -4.08 115.64 109.65 2eeh s THR 72 Ca 0.15 0.16 -0.22 0.00 -1.21 0.00 0.00 61.69 60.56 2eeh s THR 72 Cb -0.10 -2.52 -0.12 0.00 -1.51 0.00 0.00 72.50 68.24 2eeh s THR 72 CO 0.06 -0.21 1.00 -0.03 -2.21 0.00 0.00 174.62 173.23 2eeh h MET 73 N -1.76 -0.77 -0.01 7.08 4.05 -1.87 -2.85 114.93 118.82 2eeh h MET 73 Ca -0.51 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 2eeh h MET 73 Cb 1.29 0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 32.26 2eeh h MET 73 CO 0.52 -0.51 -0.00 0.41 0.23 0.00 0.00 176.91 177.56 2eeh n GLY 74 N -0.46 -2.84 0.40 1.39 0.00 -1.26 0.05 105.19 102.47 2eeh n GLY 74 Ca -0.10 0.54 -0.07 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.92 -0.88 -0.30 1.61 7.64 -1.25 0.19 113.62 117.70 2eeh n SER 75 Ca 0.00 1.76 0.12 0.00 1.01 0.00 0.00 58.87 61.76 2eeh n SER 75 Cb 0.00 -0.30 0.29 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.88 1.40 0.43 -0.43 0.00 -0.65 0.76 119.26 121.65 2eeh h ALA 76 Ca 0.24 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2eeh h ALA 76 Cb 0.49 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2eeh h ALA 76 CO -0.96 -0.29 -0.21 0.28 0.00 0.00 0.00 179.25 178.07 2eeh h VAL 77 N 0.44 0.22 -1.16 0.00 2.07 0.59 0.52 116.25 118.93 2eeh h VAL 77 Ca 0.54 -0.61 0.34 0.00 0.82 0.00 0.00 66.70 67.79 2eeh h VAL 77 Cb 0.98 0.35 -0.11 0.00 -1.52 0.00 0.00 31.29 30.99 2eeh h VAL 77 CO -0.50 0.05 0.74 0.50 0.02 0.00 0.00 177.57 178.39 2eeh h LYS 78 N -1.08 0.24 0.16 1.57 3.64 0.29 1.06 116.57 122.46 2eeh h LYS 78 Ca -0.06 -0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.02 2eeh h LYS 78 Cb 0.52 -0.05 0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2eeh h LYS 78 CO 0.10 0.16 -1.20 -0.24 -2.27 0.00 0.00 179.45 175.99 2eeh h VAL 79 N 0.25 1.33 0.00 2.00 3.04 0.59 -3.04 116.25 120.42 2eeh h VAL 79 Ca 0.69 -2.52 0.00 0.00 -1.01 0.00 0.00 66.70 63.86 2eeh h VAL 79 Cb 1.98 2.89 0.00 0.00 -2.01 0.00 0.00 31.29 34.15 2eeh h VAL 79 CO -0.35 0.75 0.00 0.18 -1.01 0.00 0.00 177.57 177.14 2eeh n LEU 80 N -3.86 0.07 -1.04 3.16 4.77 0.30 -0.49 117.00 119.90 2eeh n LEU 80 Ca -0.15 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.46 2eeh n LEU 80 Cb 0.98 -0.52 0.19 0.00 -2.33 0.00 0.00 43.42 41.74 2eeh n LEU 80 CO 0.57 -0.37 0.67 0.35 -1.33 0.00 0.00 177.39 177.27 2eeh n THR 81 N -1.58 0.52 -3.67 -5.08 -2.24 0.25 -4.66 114.28 97.81 2eeh n THR 81 Ca 0.02 -0.76 -0.28 0.00 -2.27 0.00 0.00 64.05 60.76 2eeh n THR 81 Cb 0.12 0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 69.18 2eeh n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2eeh s SER 82 N -1.37 3.30 0.00 3.42 0.01 0.35 -5.03 113.70 114.38 2eeh s SER 82 Ca 0.35 -3.26 0.00 0.00 1.31 0.00 0.00 55.95 54.34 2eeh s SER 82 Cb 0.20 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2eeh s SER 82 CO 0.28 -0.16 0.00 -1.20 0.41 0.00 0.00 173.24 172.57 2eeh n SER 83 N 2.68 0.00 -0.04 2.44 7.64 -1.26 -4.94 113.62 120.15 2eeh n SER 83 Ca 0.21 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.18 2eeh n SER 83 Cb 0.40 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 64.11 2eeh n SER 83 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2eeh n SER 84 N 0.00 0.11 -3.19 6.43 2.88 -1.26 -3.86 113.62 114.73 2eeh n SER 84 Ca 0.00 -1.46 0.02 0.00 -1.33 0.00 0.00 58.87 56.10 2eeh n SER 84 Cb 0.00 -0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.99 0.69 -0.28 -1.46 0.52 -1.26 -4.30 118.95 110.88 2eeh s ARG 85 Ca 0.27 0.09 -0.26 0.00 -0.52 0.00 0.00 55.73 55.32 2eeh s ARG 85 Cb 0.13 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.74 2eeh s ARG 85 CO 0.21 -1.13 0.90 -0.51 0.02 0.00 0.00 175.30 174.79 2eeh s LEU 86 N 2.29 4.05 -0.86 2.53 1.02 -0.33 -4.87 118.68 122.51 2eeh s LEU 86 Ca 0.13 0.94 -0.11 0.00 0.02 0.00 0.00 54.13 55.11 2eeh s LEU 86 Cb -0.07 -3.27 0.22 0.00 0.02 0.00 0.00 46.19 43.09 2eeh s LEU 86 CO -0.16 -0.66 0.80 -1.00 0.02 0.00 0.00 176.35 175.35 2eeh s HIS 87 N 3.12 3.83 -0.01 0.29 3.76 -1.26 -2.08 115.29 122.94 2eeh s HIS 87 Ca 0.37 -2.26 -0.19 0.00 -0.15 0.00 0.00 55.06 52.84 2eeh s HIS 87 Cb -0.14 -3.73 -0.05 0.00 1.11 0.00 0.00 32.58 29.77 2eeh s HIS 87 CO 0.11 -0.95 0.53 -1.64 -0.85 0.00 0.00 174.74 171.93 2eeh s MET 88 N -0.22 4.22 -0.24 1.40 -1.94 -1.20 -1.50 119.30 119.82 2eeh s MET 88 Ca 0.21 0.62 -0.02 0.00 -1.71 0.00 0.00 55.69 54.78 2eeh s MET 88 Cb -0.11 -3.31 0.02 0.00 2.01 0.00 0.00 34.83 33.43 2eeh s MET 88 CO -0.08 0.45 -0.05 -1.64 -0.01 0.00 0.00 175.02 173.69 2eeh s MET 89 N -0.41 2.98 0.18 2.03 -1.94 0.36 -3.34 119.30 119.16 2eeh s MET 89 Ca 0.28 -0.88 0.05 0.00 -1.71 0.00 0.00 55.69 53.43 2eeh s MET 89 Cb -0.18 -3.00 -0.04 0.00 2.01 0.00 0.00 34.83 33.63 2eeh s MET 89 CO 0.15 -0.35 0.16 0.14 -0.01 0.00 0.00 175.02 175.12 2eeh s VAL 90 N 1.37 4.55 -0.33 -6.03 -7.23 -1.19 0.06 120.40 111.60 2eeh s VAL 90 Ca 0.02 -1.12 -0.03 0.00 -1.81 0.00 0.00 61.98 59.04 2eeh s VAL 90 Cb -0.16 -3.36 0.06 0.00 0.56 0.00 0.00 36.38 33.49 2eeh s VAL 90 CO -0.04 -0.16 0.06 -0.13 -0.31 0.00 0.00 175.10 174.52 2eeh s ARG 91 N -3.29 2.34 -0.04 4.82 0.52 -1.18 -1.79 118.95 120.33 2eeh s ARG 91 Ca 0.32 -1.39 -0.03 0.00 -0.52 0.00 0.00 55.73 54.11 2eeh s ARG 91 Cb -0.10 -3.32 0.02 0.00 0.52 0.00 0.00 34.95 32.07 2eeh s ARG 91 CO 0.24 -0.74 0.09 0.50 0.02 0.00 0.00 175.30 175.42 2eeh s ARG 92 N 1.24 0.08 0.45 3.54 6.06 -1.02 -4.78 118.95 124.52 2eeh s ARG 92 Ca -0.01 0.18 -0.18 0.00 -2.50 0.00 0.00 55.73 53.21 2eeh s ARG 92 Cb -0.20 -0.03 -0.09 0.00 0.06 0.00 0.00 34.95 34.69 2eeh s ARG 92 CO -0.01 -0.06 0.93 1.41 -2.50 0.00 0.00 175.30 175.07 2eeh s MET 93 N 0.37 4.06 8.00 5.12 1.75 -1.26 -3.02 119.30 134.32 2eeh s MET 93 Ca -0.03 0.96 0.00 0.00 -1.25 0.00 0.00 55.69 55.37 2eeh s MET 93 Cb -0.04 -2.21 0.00 0.00 2.84 0.00 0.00 34.83 35.42 2eeh s MET 93 CO -0.01 -0.10 0.00 0.41 -0.65 0.00 0.00 175.02 174.67 2eeh n GLY 94 N -1.01 2.55 2.06 2.11 0.00 -1.26 -4.61 105.19 105.02 2eeh n GLY 94 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2eeh n GLY 94 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 95 N 9.00 -1.05 -3.15 1.61 2.88 -1.26 -4.93 113.62 116.72 2eeh n SER 95 Ca 0.00 0.32 0.03 0.00 -1.33 0.00 0.00 58.87 57.90 2eeh n SER 95 Cb 0.00 1.16 -0.00 0.00 -0.75 0.00 0.00 64.21 64.62 2eeh n SER 95 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2eeh s GLY 96 N -3.46 -1.24 -0.89 0.46 0.00 -1.26 -5.04 107.32 95.89 2eeh s GLY 96 Ca 0.00 1.00 -0.07 0.00 0.00 0.00 0.00 44.72 45.66 2eeh s GLY 96 CO 0.00 3.76 2.59 -1.55 0.00 0.00 0.00 173.10 177.90 2eeh n PRO 97 N 5.09 2.44 -1.33 2.90 -0.04 -1.26 -4.80 135.00 138.00 2eeh n PRO 97 Ca 0.07 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 2eeh n PRO 97 Cb 0.55 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 3.57 -7.35 -4.46 3.54 7.64 -1.26 -4.92 113.62 110.39 2eeh n SER 98 Ca 0.52 1.10 -0.29 0.00 1.01 0.00 0.00 58.87 61.21 2eeh n SER 98 Cb 0.32 -3.89 0.24 0.00 -1.01 0.00 0.00 64.21 59.87 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 -1.06 -1.73 0.00 6.43 7.64 -1.26 -5.19 113.62 118.45 2eeh n SER 99 Ca 0.00 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2eeh n SER 99 Cb 0.04 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 2eeh n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64