#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d7d s ALA 3 N 0.00 2.25 0.17 -0.43 0.00 -0.11 -4.89 121.76 118.75 1d7d s ALA 3 Ca 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.09 1d7d s ALA 3 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1d7d s ALA 3 CO 0.00 -1.74 0.26 -1.54 0.00 0.00 0.00 175.76 172.74 1d7d s SER 4 N -3.46 0.07 0.32 0.00 1.04 0.32 -4.87 113.70 107.12 1d7d s SER 4 Ca 0.61 -0.97 -0.24 0.00 0.48 0.00 0.00 55.95 55.84 1d7d s SER 4 Cb -0.17 0.43 -0.10 0.00 0.10 0.00 0.00 66.02 66.28 1d7d s SER 4 CO 0.56 -0.89 0.90 -1.10 0.98 0.00 0.00 173.24 173.68 1d7d s GLN 5 N -4.00 4.44 0.16 4.02 -0.21 -1.26 -1.33 119.66 121.47 1d7d s GLN 5 Ca 0.21 1.18 -0.17 0.00 0.02 0.00 0.00 55.36 56.60 1d7d s GLN 5 Cb 0.04 -2.69 0.03 0.00 1.00 0.00 0.00 33.01 31.39 1d7d s GLN 5 CO 0.02 0.24 0.46 -0.59 -2.12 0.00 0.00 175.29 173.30 1d7d s PHE 6 N -1.71 -0.18 -0.09 0.91 -0.71 -0.14 -4.97 117.98 111.09 1d7d s PHE 6 Ca 0.51 -0.14 -0.00 0.00 -1.04 0.00 0.00 56.93 56.26 1d7d s PHE 6 Cb -0.16 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.94 1d7d s PHE 6 CO 0.21 -0.80 -0.07 0.99 -1.34 0.00 0.00 175.22 174.21 1d7d s THR 7 N -3.83 3.64 -0.04 -4.49 2.01 -1.26 -0.11 115.64 111.55 1d7d s THR 7 Ca 0.06 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 1d7d s THR 7 Cb 0.01 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1d7d s THR 7 CO -0.08 0.57 1.23 -0.62 -0.69 0.00 0.00 174.62 175.02 1d7d s ASP 8 N -0.41 7.02 0.10 3.53 -1.08 0.49 -4.91 116.67 121.42 1d7d s ASP 8 Ca 0.06 1.87 -0.22 0.00 -0.52 0.00 0.00 52.55 53.74 1d7d s ASP 8 Cb -0.12 -2.56 -0.11 0.00 -1.46 0.00 0.00 42.92 38.67 1d7d s ASP 8 CO 0.02 -0.60 1.74 1.55 0.52 0.00 0.00 175.17 178.41 1d7d h PRO 9 N 7.47 0.07 0.37 4.34 0.13 -1.95 0.51 132.00 142.95 1d7d h PRO 9 Ca -0.35 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1d7d h PRO 9 Cb 1.17 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1d7d h PRO 9 CO 0.88 0.05 -0.18 1.15 -0.23 0.00 0.00 178.00 179.67 1d7d h THR 10 N 0.07 0.00 0.00 1.56 2.02 -1.98 -3.34 112.91 111.24 1d7d h THR 10 Ca 0.04 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1d7d h THR 10 Cb 0.02 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1d7d h THR 10 CO -0.04 0.00 0.00 0.71 0.37 0.00 0.00 175.52 176.56 1d7d h THR 11 N -0.80 0.00 0.00 3.16 1.35 -1.98 -3.46 112.91 111.17 1d7d h THR 11 Ca -0.05 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1d7d h THR 11 Cb 0.39 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1d7d h THR 11 CO 0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1d7d n GLY 12 N 0.77 0.33 3.76 5.82 0.00 0.18 -4.99 105.19 111.06 1d7d n GLY 12 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1d7d n GLY 12 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d7d s PHE 13 N -1.81 2.48 -0.27 1.61 0.40 -1.25 -4.50 117.98 114.65 1d7d s PHE 13 Ca 0.00 1.41 -0.10 0.00 -0.60 0.00 0.00 56.93 57.64 1d7d s PHE 13 Cb 0.00 -3.70 -0.04 0.00 0.51 0.00 0.00 43.02 39.79 1d7d s PHE 13 CO 0.00 -2.50 0.16 -0.65 0.70 0.00 0.00 175.22 172.92 1d7d s GLN 14 N -2.76 3.85 0.31 0.44 -0.21 -1.26 0.19 119.66 120.21 1d7d s GLN 14 Ca 0.67 -0.37 0.06 0.00 0.02 0.00 0.00 55.36 55.75 1d7d s GLN 14 Cb -0.38 -3.57 -0.06 0.00 1.00 0.00 0.00 33.01 30.00 1d7d s GLN 14 CO 0.45 -0.19 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.34 1d7d s PHE 15 N 1.72 2.06 -0.12 0.91 0.08 0.84 -4.72 117.98 118.75 1d7d s PHE 15 Ca 0.07 -0.72 0.02 0.00 0.12 0.00 0.00 56.93 56.42 1d7d s PHE 15 Cb -0.16 -1.23 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 1d7d s PHE 15 CO 0.09 0.28 -0.18 0.99 -0.10 0.00 0.00 175.22 176.30 1d7d s THR 16 N -2.99 2.60 -0.97 0.64 2.01 0.52 -0.97 115.64 116.48 1d7d s THR 16 Ca 0.32 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1d7d s THR 16 Cb 0.05 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.51 1d7d s THR 16 CO 0.14 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 1d7d n GLY 17 N 3.51 -0.79 3.43 4.40 0.00 -0.44 -0.38 105.19 114.92 1d7d n GLY 17 Ca -0.18 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1d7d n GLY 17 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d7d s ILE 18 N -4.00 0.04 -0.17 -0.61 -4.36 -0.67 -0.53 121.20 110.91 1d7d s ILE 18 Ca 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 1d7d s ILE 18 Cb 0.00 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 41.88 1d7d s ILE 18 CO 0.00 -0.20 -0.15 -0.89 0.24 0.00 0.00 174.94 173.94 1d7d s THR 19 N -3.95 2.58 -0.31 8.37 2.01 -1.26 -0.44 115.64 122.64 1d7d s THR 19 Ca 0.16 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 1d7d s THR 19 Cb 0.02 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.43 1d7d s THR 19 CO 0.01 0.51 1.24 -0.62 -0.69 0.00 0.00 174.62 175.07 1d7d s ASP 20 N 1.00 6.73 0.50 3.53 2.15 0.20 -4.92 116.67 125.87 1d7d s ASP 20 Ca -0.02 1.14 0.28 0.00 0.43 0.00 0.00 52.55 54.38 1d7d s ASP 20 Cb -0.15 -2.54 1.22 0.00 -0.30 0.00 0.00 42.92 41.16 1d7d s ASP 20 CO -0.03 -1.04 1.95 1.55 -0.17 0.00 0.00 175.17 177.42 1d7d h PRO 21 N 9.00 0.00 -0.10 4.34 0.13 -1.96 0.43 132.00 143.83 1d7d h PRO 21 Ca -0.25 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.82 1d7d h PRO 21 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1d7d h PRO 21 CO 1.04 0.13 -0.20 0.28 -0.23 0.00 0.00 178.00 179.01 1d7d h VAL 22 N 0.00 1.39 -0.01 1.56 2.07 -1.98 -3.31 116.25 115.97 1d7d h VAL 22 Ca -0.00 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1d7d h VAL 22 Cb 0.57 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1d7d h VAL 22 CO 0.02 0.43 -0.27 1.41 0.02 0.00 0.00 177.57 179.17 1d7d n HIS 23 N -4.53 0.00 -3.82 1.57 8.25 -1.20 -4.98 115.22 110.51 1d7d n HIS 23 Ca -0.07 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.13 1d7d n HIS 23 Cb 0.41 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.55 1d7d n HIS 23 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1d7d n ASP 24 N 0.01 -2.91 -4.70 0.41 8.00 0.15 -4.57 116.55 112.94 1d7d n ASP 24 Ca 0.07 -0.81 -0.36 0.00 0.71 0.00 0.00 54.79 54.40 1d7d n ASP 24 Cb 0.33 -3.93 -0.08 0.00 -0.02 0.00 0.00 41.12 37.42 1d7d n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1d7d s VAL 25 N -3.51 5.33 -0.14 2.53 1.01 -1.17 -4.38 120.40 120.08 1d7d s VAL 25 Ca 0.33 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 1d7d s VAL 25 Cb -0.16 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1d7d s VAL 25 CO 0.82 0.37 0.24 -0.89 0.00 0.00 0.00 175.10 175.64 1d7d s THR 26 N 0.75 5.34 -0.17 3.92 2.01 -0.19 -0.62 115.64 126.68 1d7d s THR 26 Ca 0.12 0.43 0.01 0.00 0.31 0.00 0.00 61.69 62.56 1d7d s THR 26 Cb -0.13 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.85 1d7d s THR 26 CO 0.03 0.48 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.93 1d7d s TYR 27 N -0.14 2.74 0.04 4.92 1.51 0.42 -1.07 117.35 125.78 1d7d s TYR 27 Ca 0.15 -1.52 0.04 0.00 -1.01 0.00 0.00 57.07 54.74 1d7d s TYR 27 Cb -0.13 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 1d7d s TYR 27 CO 0.04 -0.73 -0.13 0.20 -1.11 0.00 0.00 175.55 173.82 1d7d s GLY 28 N 1.11 0.72 -0.00 0.71 0.00 0.22 -1.67 107.32 108.41 1d7d s GLY 28 Ca 0.01 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 43.97 1d7d s GLY 28 CO -0.09 -0.77 -0.10 -1.36 0.00 0.00 0.00 173.10 170.79 1d7d s PHE 29 N -0.88 0.87 0.01 1.90 0.40 0.49 -0.18 117.98 120.59 1d7d s PHE 29 Ca 0.00 -0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.13 1d7d s PHE 29 Cb -0.08 -0.56 -0.01 0.00 0.51 0.00 0.00 43.02 42.89 1d7d s PHE 29 CO 0.01 -0.01 0.01 0.54 0.70 0.00 0.00 175.22 176.47 1d7d s VAL 30 N -0.34 0.06 0.19 -0.44 0.11 0.50 -0.36 120.40 120.12 1d7d s VAL 30 Ca 0.03 -0.47 0.11 0.00 -2.93 0.00 0.00 61.98 58.72 1d7d s VAL 30 Cb -0.04 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1d7d s VAL 30 CO -0.00 -0.26 -0.22 -0.36 -3.33 0.00 0.00 175.10 170.93 1d7d s PHE 31 N -0.76 2.17 1.05 1.54 0.40 -0.18 -1.18 117.98 121.01 1d7d s PHE 31 Ca -0.08 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 1d7d s PHE 31 Cb -0.05 -1.07 0.22 0.00 0.51 0.00 0.00 43.02 42.62 1d7d s PHE 31 CO -0.00 0.46 1.08 -2.14 0.70 0.00 0.00 175.22 175.32 1d7d s PRO 32 N -2.72 -0.01 0.27 0.24 0.02 -1.26 0.29 135.00 131.83 1d7d s PRO 32 Ca 0.20 1.17 -0.30 0.00 0.02 0.00 0.00 61.00 62.09 1d7d s PRO 32 Cb -0.07 -1.64 -0.14 0.00 0.02 0.00 0.00 34.50 32.68 1d7d s PRO 32 CO 0.09 -3.21 1.26 -2.30 -0.33 0.00 0.00 177.00 172.51 1d7d n PRO 33 N -4.60 1.80 -1.70 5.54 -0.02 -1.22 -4.23 135.00 130.57 1d7d n PRO 33 Ca 0.07 0.64 -0.44 0.00 -2.02 0.00 0.00 63.50 61.75 1d7d n PRO 33 Cb 0.53 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1d7d n PRO 33 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1d7d n LEU 34 N 1.57 3.66 -4.92 2.45 4.77 -1.26 -4.86 117.00 118.41 1d7d n LEU 34 Ca 0.10 1.12 -0.29 0.00 -0.03 0.00 0.00 56.01 56.91 1d7d n LEU 34 Cb 0.32 -1.51 -0.04 0.00 -2.33 0.00 0.00 43.42 39.87 1d7d n LEU 34 CO 0.62 -0.15 -0.04 0.00 -1.33 0.00 0.00 177.39 176.49 1d7d s ALA 35 N 0.27 3.89 -0.01 -1.18 0.00 -1.26 -4.99 121.76 118.47 1d7d s ALA 35 Ca 0.69 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1d7d s ALA 35 Cb -0.58 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 1d7d s ALA 35 CO 0.45 0.59 -0.01 0.25 0.00 0.00 0.00 175.76 177.05 1d7d n THR 36 N -0.27 0.09 1.23 0.00 -2.24 -1.26 -4.73 114.28 107.10 1d7d n THR 36 Ca -0.05 -0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 1d7d n THR 36 Cb 0.53 -0.76 0.35 0.00 -2.10 0.00 0.00 70.33 68.34 1d7d n THR 36 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1d7d n SER 37 N -2.30 1.17 -4.28 3.42 7.64 -1.26 -4.93 113.62 113.09 1d7d n SER 37 Ca -0.03 -1.00 -0.15 0.00 1.01 0.00 0.00 58.87 58.70 1d7d n SER 37 Cb 0.54 0.16 -0.10 0.00 -1.01 0.00 0.00 64.21 63.80 1d7d n SER 37 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1d7d s GLY 38 N -2.46 1.41 0.72 0.23 0.00 -1.26 -5.14 107.32 100.82 1d7d s GLY 38 Ca 0.25 -1.69 -0.15 0.00 0.00 0.00 0.00 44.72 43.13 1d7d s GLY 38 CO 0.51 -1.59 1.17 0.00 0.00 0.00 0.00 173.10 173.20 1d7d s ALA 39 N -3.59 2.19 0.65 3.20 0.00 -1.26 -4.69 121.76 118.25 1d7d s ALA 39 Ca 0.28 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 1d7d s ALA 39 Cb 0.06 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 1d7d s ALA 39 CO 0.07 -1.75 1.15 -0.65 0.00 0.00 0.00 175.76 174.58 1d7d s GLN 40 N -4.03 2.76 0.81 0.00 -1.52 -1.26 -4.86 119.66 111.57 1d7d s GLN 40 Ca 0.71 1.56 -0.13 0.00 -1.95 0.00 0.00 55.36 55.55 1d7d s GLN 40 Cb -0.26 -1.93 0.08 0.00 -0.22 0.00 0.00 33.01 30.68 1d7d s GLN 40 CO 0.45 -1.31 1.21 0.45 -0.25 0.00 0.00 175.29 175.84 1d7d s SER 41 N -2.21 3.56 -0.01 5.90 0.15 -1.26 -4.94 113.70 114.89 1d7d s SER 41 Ca 0.71 2.39 0.17 0.00 0.70 0.00 0.00 55.95 59.91 1d7d s SER 41 Cb -0.24 -2.59 0.50 0.00 -1.71 0.00 0.00 66.02 61.98 1d7d s SER 41 CO 0.39 -2.69 1.41 0.35 1.20 0.00 0.00 173.24 173.91 1d7d n THR 42 N -3.29 1.05 -4.10 6.45 -2.24 -1.26 -4.92 114.28 105.97 1d7d n THR 42 Ca 0.14 -1.02 -0.23 0.00 -2.27 0.00 0.00 64.05 60.66 1d7d n THR 42 Cb 0.50 0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 1d7d n THR 42 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1d7d s GLU 43 N -1.06 2.32 0.28 -0.78 -1.05 -1.26 -0.89 118.70 116.26 1d7d s GLU 43 Ca 0.38 -1.62 -0.16 0.00 -0.15 0.00 0.00 54.97 53.42 1d7d s GLU 43 Cb 0.20 -2.12 0.01 0.00 -0.44 0.00 0.00 34.13 31.78 1d7d s GLU 43 CO 0.25 0.06 0.60 -0.59 0.95 0.00 0.00 175.26 176.53 1d7d s PHE 44 N -2.47 0.17 -0.03 4.83 -0.12 -0.88 -4.50 117.98 114.99 1d7d s PHE 44 Ca 0.38 -0.60 0.07 0.00 -0.05 0.00 0.00 56.93 56.73 1d7d s PHE 44 Cb -0.01 0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 1d7d s PHE 44 CO 0.23 -1.16 -0.23 0.42 -0.05 0.00 0.00 175.22 174.43 1d7d s ILE 45 N -3.73 2.32 0.22 -4.49 1.01 -0.33 -1.00 121.20 115.21 1d7d s ILE 45 Ca 0.18 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1d7d s ILE 45 Cb -0.03 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 1d7d s ILE 45 CO 0.09 0.58 0.02 -0.83 0.00 0.00 0.00 174.94 174.81 1d7d s GLY 46 N -0.64 1.49 -0.01 6.18 0.00 -0.32 -0.37 107.32 113.65 1d7d s GLY 46 Ca 0.10 -1.73 -0.04 0.00 0.00 0.00 0.00 44.72 43.05 1d7d s GLY 46 CO -0.01 -1.61 0.09 -1.83 0.00 0.00 0.00 173.10 169.74 1d7d s GLU 47 N -3.91 0.31 -0.14 2.90 -1.05 0.75 -1.52 118.70 116.04 1d7d s GLU 47 Ca 0.29 -0.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 1d7d s GLU 47 Cb 0.06 0.13 0.02 0.00 -0.44 0.00 0.00 34.13 33.90 1d7d s GLU 47 CO 0.08 -0.06 -0.14 0.08 0.95 0.00 0.00 175.26 176.17 1d7d s VAL 48 N -0.88 1.55 -0.30 1.83 1.01 0.22 -0.61 120.40 123.20 1d7d s VAL 48 Ca -0.10 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1d7d s VAL 48 Cb -0.06 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1d7d s VAL 48 CO 0.00 0.45 0.04 -0.69 0.00 0.00 0.00 175.10 174.91 1d7d s VAL 49 N 1.45 3.46 -0.03 2.92 1.01 -0.23 -0.41 120.40 128.57 1d7d s VAL 49 Ca 0.04 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.97 1d7d s VAL 49 Cb -0.13 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 1d7d s VAL 49 CO -0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 175.10 174.84 1d7d s ALA 50 N 1.37 1.09 0.59 5.51 0.00 0.22 -1.02 121.76 129.52 1d7d s ALA 50 Ca -0.01 -0.47 -0.20 0.00 0.00 0.00 0.00 51.96 51.28 1d7d s ALA 50 Cb -0.19 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1d7d s ALA 50 CO 0.01 0.20 1.29 -2.30 0.00 0.00 0.00 175.76 174.96 1d7d n PRO 51 N 3.18 1.39 0.32 0.00 -0.02 -1.26 -0.23 135.00 138.38 1d7d n PRO 51 Ca -0.18 0.52 0.20 0.00 -2.02 0.00 0.00 63.50 62.03 1d7d n PRO 51 Cb 0.54 -2.52 1.10 0.00 -0.02 0.00 0.00 33.50 32.61 1d7d n PRO 51 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1d7d h ILE 52 N 1.00 0.19 0.00 4.25 3.07 -1.50 0.18 117.51 124.69 1d7d h ILE 52 Ca -0.51 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 65.88 1d7d h ILE 52 Cb 1.32 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.90 1d7d h ILE 52 CO 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.65 1d7d n ALA 53 N -2.17 1.68 -2.27 0.16 0.00 -1.26 -4.45 120.51 112.20 1d7d n ALA 53 Ca -0.03 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1d7d n ALA 53 Cb 0.08 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 1d7d n ALA 53 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1d7d s SER 54 N -3.53 6.10 0.10 0.00 0.01 0.62 -4.57 113.70 112.42 1d7d s SER 54 Ca 0.06 0.72 0.13 0.00 1.31 0.00 0.00 55.95 58.17 1d7d s SER 54 Cb 0.10 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.65 1d7d s SER 54 CO 0.33 -1.64 1.03 0.11 0.41 0.00 0.00 173.24 173.47 1d7d h LYS 55 N 11.57 0.00 -2.30 12.44 1.79 -1.24 -3.45 116.57 135.39 1d7d h LYS 55 Ca -0.28 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.11 1d7d h LYS 55 Cb 1.12 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.57 1d7d h LYS 55 CO 1.11 0.56 0.04 1.67 -1.08 0.00 0.00 179.45 181.76 1d7d s TRP 56 N -2.80 -0.55 -0.04 -1.35 1.48 -1.15 -4.54 118.94 110.00 1d7d s TRP 56 Ca -0.01 1.05 0.04 0.00 -1.06 0.00 0.00 56.10 56.12 1d7d s TRP 56 Cb 0.09 0.30 -0.00 0.00 -1.16 0.00 0.00 33.47 32.69 1d7d s TRP 56 CO 0.80 -0.49 -0.16 0.42 -4.06 0.00 0.00 176.95 173.46 1d7d s ILE 57 N -0.88 1.34 0.15 0.66 -1.09 -0.58 -1.72 121.20 119.08 1d7d s ILE 57 Ca -0.09 -0.68 0.10 0.00 -2.23 0.00 0.00 60.65 57.75 1d7d s ILE 57 Cb -0.02 -1.15 -0.04 0.00 -1.58 0.00 0.00 42.46 39.67 1d7d s ILE 57 CO 0.07 0.39 -0.23 -0.83 -1.23 0.00 0.00 174.94 173.10 1d7d s GLY 58 N -0.03 1.51 -0.11 6.18 0.00 0.04 -1.22 107.32 113.69 1d7d s GLY 58 Ca -0.02 -1.47 0.03 0.00 0.00 0.00 0.00 44.72 43.26 1d7d s GLY 58 CO 0.01 -1.48 -0.20 -0.42 0.00 0.00 0.00 173.10 171.02 1d7d s ILE 59 N -1.40 1.80 -0.38 0.90 1.01 0.11 -1.18 121.20 122.05 1d7d s ILE 59 Ca 0.14 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 1d7d s ILE 59 Cb -0.09 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.82 1d7d s ILE 59 CO 0.07 0.50 0.22 0.00 0.00 0.00 0.00 174.94 175.73 1d7d s ALA 60 N 0.70 3.30 -0.19 9.38 0.00 0.29 -0.64 121.76 134.62 1d7d s ALA 60 Ca -0.11 -1.75 0.29 0.00 0.00 0.00 0.00 51.96 50.38 1d7d s ALA 60 Cb -0.16 -2.64 1.15 0.00 0.00 0.00 0.00 23.12 21.46 1d7d s ALA 60 CO 0.02 -1.42 1.85 -0.07 0.00 0.00 0.00 175.76 176.14 1d7d h LEU 61 N 8.46 0.00 -2.89 0.00 3.38 -1.44 -1.65 115.31 121.18 1d7d h LEU 61 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1d7d h LEU 61 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1d7d h LEU 61 CO 0.68 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.82 1d7d n GLY 62 N 0.13 2.78 1.41 0.83 0.00 -1.26 -4.81 105.19 104.27 1d7d n GLY 62 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1d7d n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d7d n GLY 63 N 0.65 0.64 3.18 -0.02 0.00 -0.66 -4.81 105.19 104.18 1d7d n GLY 63 Ca 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1d7d n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d7d s ALA 64 N -2.00 0.06 0.13 4.61 0.00 -1.26 -4.59 121.76 118.70 1d7d s ALA 64 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 1d7d s ALA 64 Cb 0.00 0.49 -0.09 0.00 0.00 0.00 0.00 23.12 23.52 1d7d s ALA 64 CO 0.00 -0.49 1.35 1.98 0.00 0.00 0.00 175.76 178.61 1d7d h MET 65 N 2.84 0.70 -6.02 0.00 4.05 -1.96 -3.44 114.93 111.09 1d7d h MET 65 Ca -0.34 -0.56 -0.65 0.00 -0.28 0.00 0.00 59.70 57.88 1d7d h MET 65 Cb 1.19 0.11 -0.09 0.00 -0.80 0.00 0.00 31.60 32.01 1d7d h MET 65 CO 0.58 1.17 -0.57 -0.80 0.23 0.00 0.00 176.91 177.52 1d7d s ASN 66 N -7.06 5.71 -1.37 1.39 0.01 -1.26 -4.28 114.94 108.08 1d7d s ASN 66 Ca -0.09 0.13 -0.08 0.00 -0.71 0.00 0.00 52.86 52.11 1d7d s ASN 66 Cb 0.09 -1.63 0.02 0.00 0.41 0.00 0.00 41.25 40.14 1d7d s ASN 66 CO 0.89 0.25 1.11 0.59 -1.51 0.00 0.00 177.10 178.43 1d7d n ASN 67 N 0.99 -5.36 -3.74 -1.22 3.02 -0.11 -4.98 115.26 103.87 1d7d n ASN 67 Ca -0.12 -0.60 -0.10 0.00 -0.03 0.00 0.00 54.58 53.73 1d7d n ASN 67 Cb 0.52 -4.82 -0.06 0.00 -0.61 0.00 0.00 39.78 34.82 1d7d n ASN 67 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1d7d s ASP 68 N -3.50 -0.09 0.10 6.41 -4.77 -1.26 -5.01 116.67 108.56 1d7d s ASP 68 Ca 0.50 -0.48 -0.31 0.00 -3.30 0.00 0.00 52.55 48.96 1d7d s ASP 68 Cb -0.23 0.43 -0.08 0.00 -1.09 0.00 0.00 42.92 41.95 1d7d s ASP 68 CO 0.75 -0.82 1.47 -0.22 0.70 0.00 0.00 175.17 177.05 1d7d s LEU 69 N -2.84 4.36 -0.07 2.11 2.96 -1.26 -4.55 118.68 119.39 1d7d s LEU 69 Ca 0.05 2.38 0.01 0.00 -0.22 0.00 0.00 54.13 56.36 1d7d s LEU 69 Cb 0.03 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1d7d s LEU 69 CO -0.10 -0.74 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.34 1d7d s LEU 70 N 1.58 3.08 -0.11 -0.68 1.43 -0.11 -1.20 118.68 122.65 1d7d s LEU 70 Ca 0.67 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.69 1d7d s LEU 70 Cb -0.38 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1d7d s LEU 70 CO 0.30 0.36 -0.02 -0.76 0.23 0.00 0.00 176.35 176.46 1d7d s LEU 71 N -0.77 3.43 -0.03 1.79 1.43 0.19 -0.24 118.68 124.48 1d7d s LEU 71 Ca 0.12 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1d7d s LEU 71 Cb -0.11 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1d7d s LEU 71 CO 0.01 0.29 -0.08 -0.69 0.23 0.00 0.00 176.35 176.11 1d7d s VAL 72 N -0.38 0.76 0.02 -1.59 1.01 -0.19 0.07 120.40 120.11 1d7d s VAL 72 Ca 0.07 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 1d7d s VAL 72 Cb -0.12 -0.69 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 1d7d s VAL 72 CO 0.02 0.25 0.14 0.00 0.00 0.00 0.00 175.10 175.51 1d7d s ALA 73 N 0.34 -0.28 0.12 5.51 0.00 -0.36 -0.89 121.76 126.21 1d7d s ALA 73 Ca -0.05 -0.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 1d7d s ALA 73 Cb -0.10 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1d7d s ALA 73 CO 0.01 -0.27 0.33 1.67 0.00 0.00 0.00 175.76 177.50 1d7d s TRP 74 N -1.93 -0.00 -0.03 0.00 -2.14 0.07 -1.52 118.94 113.39 1d7d s TRP 74 Ca -0.10 -0.36 -0.21 0.00 2.66 0.00 0.00 56.10 58.09 1d7d s TRP 74 Cb -0.05 0.13 -0.05 0.00 -3.10 0.00 0.00 33.47 30.40 1d7d s TRP 74 CO -0.01 -0.67 0.59 0.00 -2.66 0.00 0.00 176.95 174.20 1d7d s ALA 75 N -3.85 3.46 -0.41 2.67 0.00 -1.26 -0.06 121.76 122.31 1d7d s ALA 75 Ca 0.06 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.06 1d7d s ALA 75 Cb 0.03 -2.76 0.12 0.00 0.00 0.00 0.00 23.12 20.51 1d7d s ALA 75 CO -0.09 0.11 0.16 1.21 0.00 0.00 0.00 175.76 177.15 1d7d s ASN 76 N 0.06 4.23 1.66 0.00 2.47 0.86 -4.91 114.94 119.30 1d7d s ASN 76 Ca 0.31 -2.42 0.00 0.00 0.42 0.00 0.00 52.86 51.17 1d7d s ASN 76 Cb -0.18 -1.34 0.00 0.00 -1.45 0.00 0.00 41.25 38.28 1d7d s ASN 76 CO 0.16 -0.32 0.00 0.61 -3.72 0.00 0.00 177.10 173.84 1d7d n GLY 77 N 3.86 3.37 1.04 1.21 0.00 -1.26 -2.54 105.19 110.87 1d7d n GLY 77 Ca 0.04 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.04 1d7d n GLY 77 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1d7d n ASN 78 N 8.16 3.03 -4.30 1.61 6.94 -1.26 -4.92 115.26 124.52 1d7d n ASN 78 Ca 0.00 -1.98 -0.19 0.00 -0.02 0.00 0.00 54.58 52.39 1d7d n ASN 78 Cb 0.00 -0.35 -0.11 0.00 -2.36 0.00 0.00 39.78 36.96 1d7d n ASN 78 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1d7d s GLN 79 N -1.30 1.20 -0.10 -3.83 -2.07 -1.05 -4.83 119.66 107.68 1d7d s GLN 79 Ca 0.38 -1.42 -0.17 0.00 -1.82 0.00 0.00 55.36 52.34 1d7d s GLN 79 Cb 0.20 -1.08 -0.05 0.00 -1.09 0.00 0.00 33.01 30.99 1d7d s GLN 79 CO 0.27 0.20 0.44 0.42 -1.32 0.00 0.00 175.29 175.30 1d7d s ILE 80 N -2.46 5.16 -0.17 3.63 -1.09 -1.26 -0.10 121.20 124.91 1d7d s ILE 80 Ca 0.16 0.89 -0.07 0.00 -2.23 0.00 0.00 60.65 59.40 1d7d s ILE 80 Cb -0.03 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 1d7d s ILE 80 CO 0.05 0.39 0.06 -0.69 -1.23 0.00 0.00 174.94 173.51 1d7d s VAL 81 N 0.25 4.74 0.09 2.92 1.01 0.91 -4.92 120.40 125.40 1d7d s VAL 81 Ca 0.24 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 1d7d s VAL 81 Cb -0.15 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1d7d s VAL 81 CO 0.10 0.48 0.16 -0.94 0.00 0.00 0.00 175.10 174.90 1d7d s SER 82 N 0.22 0.17 0.07 3.32 1.04 -1.26 -0.75 113.70 116.52 1d7d s SER 82 Ca 0.04 -0.76 -0.25 0.00 0.48 0.00 0.00 55.95 55.46 1d7d s SER 82 Cb -0.12 0.33 0.06 0.00 0.10 0.00 0.00 66.02 66.39 1d7d s SER 82 CO 0.01 -0.73 0.60 -0.94 0.98 0.00 0.00 173.24 173.15 1d7d s SER 83 N -2.89 -0.55 -0.15 7.02 1.04 -0.07 -4.84 113.70 113.25 1d7d s SER 83 Ca 0.08 0.23 -0.10 0.00 0.48 0.00 0.00 55.95 56.63 1d7d s SER 83 Cb 0.05 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.68 1d7d s SER 83 CO -0.09 -0.81 0.19 0.42 0.98 0.00 0.00 173.24 173.93 1d7d s THR 84 N -2.75 5.39 0.27 2.02 -4.23 -1.26 -1.02 115.64 114.06 1d7d s THR 84 Ca -0.04 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.82 1d7d s THR 84 Cb -0.01 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 1d7d s THR 84 CO -0.04 0.49 0.16 -0.13 -0.54 0.00 0.00 174.62 174.56 1d7d s ARG 85 N -0.11 1.48 -0.09 3.99 0.52 0.66 -1.37 118.95 124.03 1d7d s ARG 85 Ca 0.13 -1.83 -0.16 0.00 -0.52 0.00 0.00 55.73 53.35 1d7d s ARG 85 Cb -0.12 0.03 0.04 0.00 0.52 0.00 0.00 34.95 35.42 1d7d s ARG 85 CO 0.02 -0.44 0.40 -0.46 0.02 0.00 0.00 175.30 174.84 1d7d s TRP 86 N -3.76 -0.36 0.04 -0.53 -0.11 0.18 -0.94 118.94 113.46 1d7d s TRP 86 Ca 0.37 0.77 0.04 0.00 1.22 0.00 0.00 56.10 58.50 1d7d s TRP 86 Cb 0.06 0.16 -0.02 0.00 -1.50 0.00 0.00 33.47 32.16 1d7d s TRP 86 CO 0.17 -0.33 -0.11 0.00 -4.62 0.00 0.00 176.95 172.06 1d7d s ALA 87 N -0.55 0.88 0.12 5.86 0.00 -1.26 -1.39 121.76 125.42 1d7d s ALA 87 Ca -0.07 -0.77 0.11 0.00 0.00 0.00 0.00 51.96 51.23 1d7d s ALA 87 Cb -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1d7d s ALA 87 CO 0.03 0.11 -0.27 0.95 0.00 0.00 0.00 175.76 176.59 1d7d s THR 88 N -1.04 2.25 -1.63 0.00 -4.23 -1.26 -0.93 115.64 108.81 1d7d s THR 88 Ca -0.03 -1.71 -0.14 0.00 -1.18 0.00 0.00 61.69 58.63 1d7d s THR 88 Cb -0.08 -1.98 0.12 0.00 1.34 0.00 0.00 72.50 71.89 1d7d s THR 88 CO 0.01 0.13 0.74 0.61 -0.54 0.00 0.00 174.62 175.56 1d7d n GLY 89 N 1.02 -0.41 3.59 3.99 0.00 -1.26 -3.80 105.19 108.32 1d7d n GLY 89 Ca -0.18 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1d7d n GLY 89 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1d7d n TYR 90 N -4.43 -2.39 -4.46 1.61 4.01 -1.26 -5.01 117.16 105.22 1d7d n TYR 90 Ca -0.00 0.95 -0.22 0.00 -0.16 0.00 0.00 57.90 58.46 1d7d n TYR 90 Cb 0.53 -4.83 -0.10 0.00 -0.31 0.00 0.00 39.34 34.63 1d7d n TYR 90 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1d7d s VAL 91 N -3.39 1.06 -0.36 -0.72 -7.23 -1.25 -5.07 120.40 103.44 1d7d s VAL 91 Ca 0.28 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.20 1d7d s VAL 91 Cb -0.13 -2.70 -0.12 0.00 0.56 0.00 0.00 36.38 33.99 1d7d s VAL 91 CO 0.76 0.00 1.36 1.67 -0.31 0.00 0.00 175.10 178.58 1d7d n GLN 92 N -0.72 0.00 -1.98 4.82 -0.06 -1.26 -4.78 117.38 113.40 1d7d n GLN 92 Ca -0.03 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.58 1d7d n GLN 92 Cb 0.66 -0.91 0.01 0.00 -4.06 0.00 0.00 30.24 25.94 1d7d n GLN 92 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 1d7d s PRO 93 N 3.99 3.71 0.44 3.69 0.02 -1.26 -4.94 135.00 140.65 1d7d s PRO 93 Ca 0.75 2.17 0.04 0.00 0.02 0.00 0.00 61.00 63.97 1d7d s PRO 93 Cb -0.88 -2.58 -0.05 0.00 0.02 0.00 0.00 34.50 31.01 1d7d s PRO 93 CO 0.38 -0.71 0.02 0.95 -0.33 0.00 0.00 177.00 177.31 1d7d s THR 94 N -1.30 1.48 0.16 0.99 -4.23 -0.49 -4.82 115.64 107.43 1d7d s THR 94 Ca 0.62 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.79 1d7d s THR 94 Cb -0.38 -2.60 -0.16 0.00 1.34 0.00 0.00 72.50 70.71 1d7d s THR 94 CO 0.48 0.00 1.25 0.00 -0.54 0.00 0.00 174.62 175.81 1d7d n ALA 95 N -1.05 -0.56 -1.86 3.99 0.00 -1.26 -0.65 120.51 119.12 1d7d n ALA 95 Ca -0.10 0.47 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1d7d n ALA 95 Cb 0.67 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 1d7d n ALA 95 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1d7d s TYR 96 N 0.04 3.15 -2.51 0.00 5.04 -0.47 -4.61 117.35 117.98 1d7d s TYR 96 Ca 0.76 1.30 0.25 0.00 -2.44 0.00 0.00 57.07 56.94 1d7d s TYR 96 Cb -0.85 -3.65 0.38 0.00 0.35 0.00 0.00 41.96 38.18 1d7d s TYR 96 CO 0.50 -1.92 1.35 0.25 -1.34 0.00 0.00 175.55 174.39 1d7d n THR 97 N 1.68 0.00 -2.28 4.34 -2.24 -1.26 -4.92 114.28 109.60 1d7d n THR 97 Ca 0.03 -0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 61.43 1d7d n THR 97 Cb 0.42 1.11 0.02 0.00 -2.10 0.00 0.00 70.33 69.78 1d7d n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d7d n GLY 98 N 1.33 0.72 3.57 3.38 0.00 -1.26 -5.06 105.19 107.87 1d7d n GLY 98 Ca 0.14 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1d7d n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d7d s THR 99 N -0.30 5.01 -0.27 2.61 2.01 -1.26 -5.02 115.64 118.41 1d7d s THR 99 Ca 0.10 0.50 -0.14 0.00 0.31 0.00 0.00 61.69 62.47 1d7d s THR 99 Cb -0.01 -3.95 0.09 0.00 0.01 0.00 0.00 72.50 68.64 1d7d s THR 99 CO 0.07 -0.16 0.64 0.00 -0.69 0.00 0.00 174.62 174.48 1d7d s ALA 100 N 2.42 -1.80 -0.24 7.40 0.00 -1.26 -4.65 121.76 123.63 1d7d s ALA 100 Ca 0.20 2.28 -0.00 0.00 0.00 0.00 0.00 51.96 54.43 1d7d s ALA 100 Cb -0.15 -1.45 0.03 0.00 0.00 0.00 0.00 23.12 21.55 1d7d s ALA 100 CO 0.13 -0.50 -0.09 0.99 0.00 0.00 0.00 175.76 176.29 1d7d s THR 101 N 1.93 2.64 -0.30 0.00 2.01 0.56 -4.95 115.64 117.53 1d7d s THR 101 Ca -0.09 -1.15 -0.16 0.00 0.31 0.00 0.00 61.69 60.60 1d7d s THR 101 Cb -0.07 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 1d7d s THR 101 CO -0.19 0.18 0.44 -0.76 -0.69 0.00 0.00 174.62 173.61 1d7d s LEU 102 N 1.27 4.18 -0.22 4.42 1.43 -1.26 0.27 118.68 128.78 1d7d s LEU 102 Ca -0.01 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1d7d s LEU 102 Cb -0.17 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.55 1d7d s LEU 102 CO -0.06 -0.31 -0.10 -0.89 0.23 0.00 0.00 176.35 175.22 1d7d s THR 103 N 2.21 2.75 0.02 5.49 2.01 0.42 -4.96 115.64 123.58 1d7d s THR 103 Ca 0.17 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 1d7d s THR 103 Cb -0.16 -2.28 -0.06 0.00 0.01 0.00 0.00 72.50 70.01 1d7d s THR 103 CO 0.11 0.38 1.46 -0.89 -0.69 0.00 0.00 174.62 174.99 1d7d s THR 104 N 1.36 3.53 0.51 -0.82 2.01 -1.26 -0.13 115.64 120.84 1d7d s THR 104 Ca 0.03 0.94 -0.04 0.00 0.31 0.00 0.00 61.69 62.94 1d7d s THR 104 Cb -0.15 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1d7d s THR 104 CO -0.07 -0.00 0.79 -0.76 -0.69 0.00 0.00 174.62 173.89 1d7d s LEU 105 N 2.42 3.50 0.00 4.42 1.43 0.19 -4.92 118.68 125.73 1d7d s LEU 105 Ca 0.66 0.68 0.24 0.00 -1.03 0.00 0.00 54.13 54.68 1d7d s LEU 105 Cb -0.34 -3.56 1.03 0.00 0.03 0.00 0.00 46.19 43.35 1d7d s LEU 105 CO 0.28 -0.77 1.77 -0.81 0.23 0.00 0.00 176.35 177.05 1d7d n PRO 106 N -2.32 0.00 0.09 1.29 -0.04 -1.26 -2.04 135.00 130.72 1d7d n PRO 106 Ca 0.02 0.09 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1d7d n PRO 106 Cb 0.57 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.93 1d7d n PRO 106 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1d7d n GLU 107 N -1.51 0.11 -1.72 0.54 4.71 -1.26 -4.79 120.64 116.72 1d7d n GLU 107 Ca 0.06 0.42 -0.43 0.00 -0.01 0.00 0.00 57.16 57.20 1d7d n GLU 107 Cb 0.28 -1.74 -0.02 0.00 -1.01 0.00 0.00 31.44 28.95 1d7d n GLU 107 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1d7d n THR 108 N -1.96 0.66 -3.90 2.62 -1.04 -0.87 -4.81 114.28 104.97 1d7d n THR 108 Ca 0.02 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.05 61.75 1d7d n THR 108 Cb 0.16 -1.87 -0.13 0.00 -1.82 0.00 0.00 70.33 66.67 1d7d n THR 108 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1d7d s THR 109 N 0.38 0.04 -0.13 12.58 2.01 0.99 -4.99 115.64 126.51 1d7d s THR 109 Ca 0.69 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.41 1d7d s THR 109 Cb -0.53 -0.09 0.02 0.00 0.01 0.00 0.00 72.50 71.90 1d7d s THR 109 CO 0.43 -0.16 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.41 1d7d s ILE 110 N -0.47 1.64 0.00 1.82 1.01 -1.26 0.29 121.20 124.22 1d7d s ILE 110 Ca -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1d7d s ILE 110 Cb -0.03 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1d7d s ILE 110 CO -0.00 0.47 0.00 -0.46 0.00 0.00 0.00 174.94 174.95 1d7d n ASN 111 N 4.45 1.28 0.18 3.58 0.23 -0.04 -5.02 115.26 119.91 1d7d n ASN 111 Ca -0.18 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 53.92 1d7d n ASN 111 Cb 0.51 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.45 1d7d n ASN 111 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1d7d h SER 112 N 0.00 0.00 0.00 0.53 4.64 -2.02 -3.33 113.55 113.37 1d7d h SER 112 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1d7d h SER 112 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1d7d h SER 112 CO 0.00 0.39 -0.98 0.35 -0.87 0.00 0.00 176.83 175.72 1d7d n THR 113 N -3.38 0.00 -3.78 2.95 -2.24 -1.26 -4.84 114.28 101.74 1d7d n THR 113 Ca 0.01 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1d7d n THR 113 Cb 0.58 0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 69.37 1d7d n THR 113 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1d7d s HIS 114 N -2.37 -0.08 -0.09 4.78 3.76 -1.25 -1.25 115.29 118.79 1d7d s HIS 114 Ca 0.00 -0.03 0.02 0.00 -0.15 0.00 0.00 55.06 54.89 1d7d s HIS 114 Cb 0.08 0.06 -0.02 0.00 1.11 0.00 0.00 32.58 33.81 1d7d s HIS 114 CO 0.45 -0.46 -0.13 1.67 -0.85 0.00 0.00 174.74 175.41 1d7d s TRP 115 N -2.30 2.77 -0.29 1.40 1.48 0.68 -0.87 118.94 121.81 1d7d s TRP 115 Ca -0.07 -0.38 0.03 0.00 -1.06 0.00 0.00 56.10 54.62 1d7d s TRP 115 Cb -0.02 -1.74 0.07 0.00 -1.16 0.00 0.00 33.47 30.62 1d7d s TRP 115 CO -0.02 -0.00 -0.06 0.21 -4.06 0.00 0.00 176.95 173.02 1d7d s LYS 116 N -0.20 2.02 -0.37 3.25 2.20 0.14 -0.61 119.74 126.18 1d7d s LYS 116 Ca 0.00 -1.51 -0.16 0.00 -0.36 0.00 0.00 55.97 53.95 1d7d s LYS 116 Cb -0.13 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1d7d s LYS 116 CO 0.03 -0.69 0.38 -0.46 -0.36 0.00 0.00 175.35 174.26 1d7d s TRP 117 N 1.05 3.20 -0.19 4.03 -0.00 0.45 -0.01 118.94 127.47 1d7d s TRP 117 Ca -0.03 -0.17 -0.03 0.00 -0.00 0.00 0.00 56.10 55.87 1d7d s TRP 117 Cb -0.20 -2.74 -0.02 0.00 -0.00 0.00 0.00 33.47 30.51 1d7d s TRP 117 CO -0.06 -0.53 -0.05 0.08 -0.00 0.00 0.00 176.95 176.40 1d7d s VAL 118 N 2.04 3.58 0.04 5.86 1.01 -1.26 -0.61 120.40 131.05 1d7d s VAL 118 Ca 0.12 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1d7d s VAL 118 Cb -0.17 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1d7d s VAL 118 CO 0.12 0.46 -0.00 0.72 0.00 0.00 0.00 175.10 176.39 1d7d s PHE 119 N 0.94 0.40 -0.10 5.22 -0.71 -0.57 0.56 117.98 123.71 1d7d s PHE 119 Ca -0.00 -0.84 -0.02 0.00 -1.04 0.00 0.00 56.93 55.02 1d7d s PHE 119 Cb -0.15 -0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 41.34 1d7d s PHE 119 CO 0.01 -0.34 0.00 0.50 -1.34 0.00 0.00 175.22 174.05 1d7d s ARG 120 N -3.15 3.08 -0.30 1.99 3.52 0.82 -1.17 118.95 123.74 1d7d s ARG 120 Ca -0.00 -0.41 0.02 0.00 -0.13 0.00 0.00 55.73 55.20 1d7d s ARG 120 Cb 0.02 -2.82 0.09 0.00 -1.56 0.00 0.00 34.95 30.68 1d7d s ARG 120 CO -0.07 0.65 0.03 0.00 -0.81 0.00 0.00 175.30 175.09 1d7d s GLN 122 N 1.25 3.72 -0.48 0.00 -0.21 0.14 -2.06 119.66 122.02 1d7d s GLN 122 Ca 0.05 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.40 1d7d s GLN 122 Cb -0.19 -3.25 0.00 0.00 1.00 0.00 0.00 33.01 30.57 1d7d s GLN 122 CO -0.12 0.64 0.00 0.41 -2.12 0.00 0.00 175.29 174.10 1d7d n GLY 123 N 2.33 0.52 0.06 3.09 0.00 -1.02 -0.32 105.19 109.85 1d7d n GLY 123 Ca -0.18 -0.78 0.10 0.00 0.00 0.00 0.00 46.02 45.17 1d7d n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d7d n THR 125 N -1.31 0.08 -4.20 0.00 -2.24 -0.99 -4.84 114.28 100.77 1d7d n THR 125 Ca 0.05 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.53 1d7d n THR 125 Cb 0.35 0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.67 1d7d n THR 125 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1d7d s GLU 126 N -3.06 1.01 0.33 -0.78 2.02 -1.26 -0.62 118.70 116.34 1d7d s GLU 126 Ca 0.09 -0.16 0.09 0.00 0.02 0.00 0.00 54.97 55.01 1d7d s GLU 126 Cb 0.16 -0.99 -0.05 0.00 0.10 0.00 0.00 34.13 33.35 1d7d s GLU 126 CO 0.74 -0.08 0.03 -1.58 0.02 0.00 0.00 175.26 174.38 1d7d s TRP 127 N 0.97 2.59 -2.02 1.61 0.51 0.21 -4.95 118.94 117.87 1d7d s TRP 127 Ca -0.10 -0.39 0.11 0.00 -2.12 0.00 0.00 56.10 53.60 1d7d s TRP 127 Cb -0.14 -1.46 0.60 0.00 -0.81 0.00 0.00 33.47 31.66 1d7d s TRP 127 CO 0.00 0.48 1.40 0.27 -0.51 0.00 0.00 176.95 178.59 1d7d n ASN 128 N -0.97 0.23 -0.97 2.95 6.94 -1.26 -1.56 115.26 120.61 1d7d n ASN 128 Ca -0.04 -1.70 0.12 0.00 -0.02 0.00 0.00 54.58 52.94 1d7d n ASN 128 Cb 0.62 -0.02 0.19 0.00 -2.36 0.00 0.00 39.78 38.21 1d7d n ASN 128 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1d7d n ASN 129 N -0.52 2.96 0.00 0.53 6.94 -1.26 -4.93 115.26 118.99 1d7d n ASN 129 Ca 0.09 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.71 1d7d n ASN 129 Cb 0.07 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 1d7d n ASN 129 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1d7d n GLY 130 N 1.38 0.71 3.97 4.83 0.00 -0.60 -5.07 105.19 110.40 1d7d n GLY 130 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1d7d n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d7d n GLY 131 N -2.00 -0.30 0.00 -0.02 0.00 -1.25 -4.84 105.19 96.78 1d7d n GLY 131 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1d7d n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d7d n GLY 132 N -3.32 -1.39 3.68 -0.02 0.00 -1.26 -0.62 105.19 102.26 1d7d n GLY 132 Ca 0.17 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1d7d n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d7d s ILE 133 N -2.97 4.24 -0.50 -0.61 1.01 0.21 -4.98 121.20 117.60 1d7d s ILE 133 Ca 0.00 -0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.11 1d7d s ILE 133 Cb 0.00 -2.82 0.08 0.00 0.01 0.00 0.00 42.46 39.73 1d7d s ILE 133 CO 0.00 0.53 0.49 -0.62 0.00 0.00 0.00 174.94 175.34 1d7d s ASP 134 N -1.11 6.18 0.00 3.58 -1.08 -1.26 -4.84 116.67 118.13 1d7d s ASP 134 Ca 0.15 -1.25 0.20 0.00 -0.52 0.00 0.00 52.55 51.13 1d7d s ASP 134 Cb -0.11 -2.23 1.20 0.00 -1.46 0.00 0.00 42.92 40.33 1d7d s ASP 134 CO 0.05 -0.77 1.64 1.33 0.52 0.00 0.00 175.17 177.94 1d7d n VAL 135 N 5.35 0.00 0.85 1.11 0.24 -1.26 -1.87 118.33 122.75 1d7d n VAL 135 Ca -0.11 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.29 1d7d n VAL 135 Cb 0.44 -0.52 0.06 0.00 -1.47 0.00 0.00 33.84 32.34 1d7d n VAL 135 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1d7d n THR 136 N -0.91 0.00 -3.12 3.34 -2.24 -1.26 -3.52 114.28 106.57 1d7d n THR 136 Ca 0.15 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1d7d n THR 136 Cb 0.07 1.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1d7d n THR 136 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1d7d n SER 137 N 0.77 0.99 -4.84 3.42 3.41 -0.78 -4.21 113.62 112.38 1d7d n SER 137 Ca 0.11 -0.12 -0.37 0.00 -0.26 0.00 0.00 58.87 58.22 1d7d n SER 137 Cb 0.48 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1d7d n SER 137 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1d7d s GLN 138 N 0.63 3.73 0.25 4.33 1.11 -1.26 -1.18 119.66 127.27 1d7d s GLN 138 Ca 0.00 0.07 0.04 0.00 0.01 0.00 0.00 55.36 55.48 1d7d s GLN 138 Cb 0.00 -3.24 -0.01 0.00 -1.01 0.00 0.00 33.01 28.75 1d7d s GLN 138 CO 0.00 0.66 0.25 0.41 0.01 0.00 0.00 175.29 176.62 1d7d n GLY 139 N 2.17 3.00 3.22 3.09 0.00 0.13 -4.93 105.19 111.87 1d7d n GLY 139 Ca -0.17 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1d7d n GLY 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d7d s VAL 140 N -2.92 1.90 0.19 1.61 1.01 -1.26 0.10 120.40 121.03 1d7d s VAL 140 Ca 0.27 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1d7d s VAL 140 Cb 0.01 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1d7d s VAL 140 CO 0.19 0.53 0.04 -0.76 0.00 0.00 0.00 175.10 175.10 1d7d s LEU 141 N 0.04 3.41 0.12 3.92 1.43 -0.25 -2.91 118.68 124.44 1d7d s LEU 141 Ca -0.08 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1d7d s LEU 141 Cb -0.15 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1d7d s LEU 141 CO 0.05 0.06 -0.07 0.00 0.23 0.00 0.00 176.35 176.62 1d7d s ALA 142 N -1.84 1.14 0.15 4.21 0.00 -0.98 -0.77 121.76 123.66 1d7d s ALA 142 Ca 0.29 -1.40 0.05 0.00 0.00 0.00 0.00 51.96 50.89 1d7d s ALA 142 Cb -0.09 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1d7d s ALA 142 CO 0.20 -0.20 -0.10 1.67 0.00 0.00 0.00 175.76 177.33 1d7d s TRP 143 N -3.54 1.27 0.02 0.00 1.48 0.05 -0.54 118.94 117.67 1d7d s TRP 143 Ca 0.14 -0.75 0.02 0.00 -1.06 0.00 0.00 56.10 54.45 1d7d s TRP 143 Cb 0.05 -0.64 -0.01 0.00 -1.16 0.00 0.00 33.47 31.70 1d7d s TRP 143 CO -0.03 0.09 -0.07 0.00 -4.06 0.00 0.00 176.95 172.88 1d7d s ALA 144 N -3.29 0.53 0.02 2.67 0.00 -0.33 -1.62 121.76 119.74 1d7d s ALA 144 Ca 0.16 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.69 1d7d s ALA 144 Cb 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1d7d s ALA 144 CO 0.01 0.06 -0.12 0.12 0.00 0.00 0.00 175.76 175.83 1d7d s PHE 145 N -0.66 1.06 0.01 0.00 2.19 0.01 -0.78 117.98 119.81 1d7d s PHE 145 Ca -0.03 -0.28 0.00 0.00 0.33 0.00 0.00 56.93 56.95 1d7d s PHE 145 Cb -0.06 -0.65 -0.01 0.00 -1.31 0.00 0.00 43.02 40.99 1d7d s PHE 145 CO 0.00 0.00 -0.03 0.45 1.83 0.00 0.00 175.22 177.48 1d7d s SER 146 N -0.76 0.28 -0.10 6.13 0.15 -0.70 -0.54 113.70 118.17 1d7d s SER 146 Ca 0.02 -0.28 0.15 0.00 0.70 0.00 0.00 55.95 56.54 1d7d s SER 146 Cb -0.06 0.04 0.52 0.00 -1.71 0.00 0.00 66.02 64.80 1d7d s SER 146 CO 0.00 -0.14 1.44 -0.46 1.20 0.00 0.00 173.24 175.28 1d7d n ASN 147 N 2.28 3.86 -4.39 5.45 0.23 -1.26 -0.90 115.26 120.52 1d7d n ASN 147 Ca -0.18 -2.47 -0.35 0.00 -0.53 0.00 0.00 54.58 51.04 1d7d n ASN 147 Cb 0.57 -0.45 -0.13 0.00 -2.08 0.00 0.00 39.78 37.69 1d7d n ASN 147 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1d7d s VAL 148 N -1.87 3.73 0.87 3.53 1.01 -1.26 -4.69 120.40 121.73 1d7d s VAL 148 Ca 0.39 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 1d7d s VAL 148 Cb 0.26 -2.70 0.12 0.00 0.00 0.00 0.00 36.38 34.07 1d7d s VAL 148 CO 0.17 0.42 1.12 0.00 0.00 0.00 0.00 175.10 176.81 1d7d s ALA 149 N 1.22 1.68 0.76 5.51 0.00 -1.26 -4.61 121.76 125.07 1d7d s ALA 149 Ca 0.03 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 1d7d s ALA 149 Cb -0.15 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.65 1d7d s ALA 149 CO 0.00 -2.44 1.09 0.14 0.00 0.00 0.00 175.76 174.55 1d7d s VAL 150 N -2.74 3.43 0.40 0.00 -7.23 -1.26 -4.80 120.40 108.19 1d7d s VAL 150 Ca 0.65 0.47 0.07 0.00 -1.81 0.00 0.00 61.98 61.35 1d7d s VAL 150 Cb -0.21 -3.00 0.23 0.00 0.56 0.00 0.00 36.38 33.97 1d7d s VAL 150 CO 0.57 -0.61 2.01 0.44 -0.31 0.00 0.00 175.10 177.20 1d7d h ASP 151 N -1.07 0.44 -2.07 4.85 3.32 -1.58 -3.37 116.42 116.95 1d7d h ASP 151 Ca -0.44 -0.03 -0.47 0.00 0.02 0.00 0.00 57.03 56.11 1d7d h ASP 151 Cb 1.23 -0.11 -0.33 0.00 0.22 0.00 0.00 39.33 40.34 1d7d h ASP 151 CO 0.52 0.38 -0.83 -0.62 -1.72 0.00 0.00 179.24 176.98 1d7d s ASP 152 N -6.73 1.00 0.53 6.45 -1.08 -1.26 -5.02 116.67 110.56 1d7d s ASP 152 Ca -0.08 -2.48 0.35 0.00 -0.52 0.00 0.00 52.55 49.83 1d7d s ASP 152 Cb 0.17 0.17 1.83 0.00 -1.46 0.00 0.00 42.92 43.62 1d7d s ASP 152 CO 0.74 -0.18 2.08 -0.65 0.52 0.00 0.00 175.17 177.68 1d7d h PRO 153 N 5.91 0.00 -0.00 4.34 0.11 -1.96 0.09 132.00 140.48 1d7d h PRO 153 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1d7d h PRO 153 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1d7d h PRO 153 CO 0.26 0.00 -0.25 -1.13 -0.21 0.00 0.00 178.00 176.67 1d7d n SER 154 N -2.80 0.72 -4.52 -2.05 3.41 -1.26 -4.73 113.62 102.39 1d7d n SER 154 Ca -0.02 -0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 57.56 1d7d n SER 154 Cb 0.11 0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.05 1d7d n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1d7d s ASP 155 N -2.61 6.24 0.56 4.04 -1.08 0.02 -4.94 116.67 118.90 1d7d s ASP 155 Ca 0.23 -0.38 0.30 0.00 -0.52 0.00 0.00 52.55 52.17 1d7d s ASP 155 Cb 0.19 -2.24 1.46 0.00 -1.46 0.00 0.00 42.92 40.87 1d7d s ASP 155 CO 0.54 -0.53 1.89 -0.65 0.52 0.00 0.00 175.17 176.94 1d7d h PRO 156 N 8.63 0.00 -0.64 4.34 0.11 -1.85 0.18 132.00 142.77 1d7d h PRO 156 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1d7d h PRO 156 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1d7d h PRO 156 CO 0.78 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.61 1d7d n GLN 157 N -4.00 3.92 -1.56 1.05 1.13 -1.26 -4.62 117.38 112.05 1d7d n GLN 157 Ca 0.13 -2.72 -0.40 0.00 -1.94 0.00 0.00 57.00 52.08 1d7d n GLN 157 Cb 0.81 -1.99 0.03 0.00 0.11 0.00 0.00 30.24 29.20 1d7d n GLN 157 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1d7d n SER 158 N 0.84 0.39 -4.89 1.08 2.88 0.62 -5.00 113.62 109.55 1d7d n SER 158 Ca 0.24 0.90 -0.29 0.00 -1.33 0.00 0.00 58.87 58.39 1d7d n SER 158 Cb 0.94 -1.29 0.09 0.00 -0.75 0.00 0.00 64.21 63.20 1d7d n SER 158 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1d7d s THR 159 N -1.45 2.00 0.19 2.46 -4.23 -1.26 -4.91 115.64 108.44 1d7d s THR 159 Ca 0.67 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.96 1d7d s THR 159 Cb -0.50 -2.98 0.07 0.00 1.34 0.00 0.00 72.50 70.43 1d7d s THR 159 CO 0.54 0.00 0.99 0.72 -0.54 0.00 0.00 174.62 176.33 1d7d s PHE 160 N -3.55 0.01 0.31 3.99 -0.12 -1.26 -1.41 117.98 115.95 1d7d s PHE 160 Ca 0.62 -0.40 0.01 0.00 -0.05 0.00 0.00 56.93 57.11 1d7d s PHE 160 Cb -0.11 0.69 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 1d7d s PHE 160 CO 0.49 -0.94 0.51 -1.12 -0.05 0.00 0.00 175.22 174.10 1d7d s SER 161 N -3.21 6.32 0.50 1.98 0.01 -1.26 -4.94 113.70 113.10 1d7d s SER 161 Ca 0.18 0.41 -0.21 0.00 1.31 0.00 0.00 55.95 57.64 1d7d s SER 161 Cb -0.02 -2.02 -0.09 0.00 0.21 0.00 0.00 66.02 64.10 1d7d s SER 161 CO 0.05 -0.23 0.89 1.21 0.41 0.00 0.00 173.24 175.56 1d7d n GLU 162 N -1.54 1.03 -1.48 12.44 2.13 -1.26 -4.91 120.64 127.05 1d7d n GLU 162 Ca -0.05 0.38 -0.36 0.00 0.66 0.00 0.00 57.16 57.79 1d7d n GLU 162 Cb 0.56 -1.99 0.09 0.00 0.27 0.00 0.00 31.44 30.37 1d7d n GLU 162 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1d7d n HIS 163 N -1.07 1.48 0.29 4.31 -0.00 -1.26 -4.93 115.22 114.04 1d7d n HIS 163 Ca 0.11 0.41 0.11 0.00 -0.00 0.00 0.00 57.72 58.36 1d7d n HIS 163 Cb 0.43 -2.18 0.02 0.00 -0.00 0.00 0.00 29.99 28.26 1d7d n HIS 163 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1d7d n THR 164 N -2.41 0.41 -3.69 0.61 -2.24 0.30 -4.94 114.28 102.31 1d7d n THR 164 Ca 0.15 -0.42 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 1d7d n THR 164 Cb 0.49 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 1d7d n THR 164 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1d7d s ASP 165 N -4.73 -0.17 0.14 3.42 2.15 -1.06 -5.02 116.67 111.39 1d7d s ASP 165 Ca 0.01 -0.29 -0.14 0.00 0.43 0.00 0.00 52.55 52.56 1d7d s ASP 165 Cb 0.12 0.43 0.02 0.00 -0.30 0.00 0.00 42.92 43.19 1d7d s ASP 165 CO 0.79 -0.76 0.37 0.72 -0.17 0.00 0.00 175.17 176.11 1d7d s PHE 166 N -3.38 -0.03 0.30 -5.34 -0.12 -1.26 -0.81 117.98 107.33 1d7d s PHE 166 Ca 0.01 -0.32 -0.19 0.00 -0.05 0.00 0.00 56.93 56.37 1d7d s PHE 166 Cb 0.01 0.18 0.05 0.00 -0.63 0.00 0.00 43.02 42.63 1d7d s PHE 166 CO -0.09 -0.72 0.84 0.20 -0.05 0.00 0.00 175.22 175.40 1d7d s GLY 167 N -2.85 0.14 0.13 1.99 0.00 -0.64 -4.99 107.32 101.10 1d7d s GLY 167 Ca 0.07 -0.46 0.05 0.00 0.00 0.00 0.00 44.72 44.37 1d7d s GLY 167 CO -0.08 0.25 -0.11 -1.36 0.00 0.00 0.00 173.10 171.79 1d7d s PHE 168 N -2.81 1.26 -0.11 1.90 0.40 -1.26 -0.77 117.98 116.59 1d7d s PHE 168 Ca 0.15 -0.68 -0.18 0.00 -0.60 0.00 0.00 56.93 55.61 1d7d s PHE 168 Cb -0.04 -0.65 0.04 0.00 0.51 0.00 0.00 43.02 42.88 1d7d s PHE 168 CO 0.08 0.09 0.46 -0.59 0.70 0.00 0.00 175.22 175.96 1d7d s PHE 169 N -2.84 -0.45 0.33 0.36 -0.71 0.05 -4.81 117.98 109.92 1d7d s PHE 169 Ca 0.12 0.98 -0.24 0.00 -1.04 0.00 0.00 56.93 56.75 1d7d s PHE 169 Cb -0.01 0.19 -0.10 0.00 -1.21 0.00 0.00 43.02 41.90 1d7d s PHE 169 CO 0.01 -0.35 0.91 0.20 -1.34 0.00 0.00 175.22 174.65 1d7d s GLY 170 N -0.42 2.69 -0.01 1.99 0.00 -1.26 -1.09 107.32 109.21 1d7d s GLY 170 Ca -0.06 0.44 -0.00 0.00 0.00 0.00 0.00 44.72 45.10 1d7d s GLY 170 CO 0.03 0.83 0.02 -1.50 0.00 0.00 0.00 173.10 172.48 1d7d s ILE 171 N -1.72 -0.04 -0.76 0.90 2.07 0.12 -0.93 121.20 120.83 1d7d s ILE 171 Ca 0.51 0.13 -0.17 0.00 -1.41 0.00 0.00 60.65 59.71 1d7d s ILE 171 Cb -0.16 -0.05 0.15 0.00 0.13 0.00 0.00 42.46 42.52 1d7d s ILE 171 CO 0.21 0.05 0.85 -0.62 -1.91 0.00 0.00 174.94 173.53 1d7d s ASP 172 N 0.66 6.49 0.58 4.50 -1.08 -1.26 0.17 116.67 126.72 1d7d s ASP 172 Ca -0.05 -1.99 0.30 0.00 -0.52 0.00 0.00 52.55 50.29 1d7d s ASP 172 Cb -0.08 -2.30 1.79 0.00 -1.46 0.00 0.00 42.92 40.87 1d7d s ASP 172 CO -0.02 -0.94 2.23 1.88 0.52 0.00 0.00 175.17 178.84 1d7d h TYR 173 N 8.66 0.00 0.00 -5.34 0.05 -1.42 -0.89 116.97 118.04 1d7d h TYR 173 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1d7d h TYR 173 Cb 1.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.79 1d7d h TYR 173 CO 0.99 0.02 0.00 0.66 -1.05 0.00 0.00 178.16 178.79 1d7d h SER 174 N 0.00 0.00 -0.29 3.88 4.64 -1.61 -1.86 113.55 118.31 1d7d h SER 174 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1d7d h SER 174 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1d7d h SER 174 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1d7d n THR 175 N -2.53 0.43 -0.50 2.95 -2.24 -0.34 -4.43 114.28 107.62 1d7d n THR 175 Ca 0.01 -0.71 0.11 0.00 -2.27 0.00 0.00 64.05 61.18 1d7d n THR 175 Cb 0.19 1.04 0.35 0.00 -2.10 0.00 0.00 70.33 69.81 1d7d n THR 175 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d7d n ALA 176 N 1.28 2.74 -2.43 6.98 0.00 -0.70 -4.96 120.51 123.41 1d7d n ALA 176 Ca 0.16 -1.45 -0.33 0.00 0.00 0.00 0.00 53.44 51.82 1d7d n ALA 176 Cb 0.55 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 1d7d n ALA 176 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1d7d s HIS 177 N -1.42 3.48 -0.05 0.00 3.76 -1.26 -1.01 115.29 118.79 1d7d s HIS 177 Ca 0.51 0.89 0.03 0.00 -0.15 0.00 0.00 55.06 56.34 1d7d s HIS 177 Cb 0.30 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.73 1d7d s HIS 177 CO 0.30 0.33 -0.14 0.45 -0.85 0.00 0.00 174.74 174.83 1d7d s SER 178 N -2.18 1.85 0.53 1.40 0.15 0.15 -4.85 113.70 110.74 1d7d s SER 178 Ca 0.44 -0.30 0.31 0.00 0.70 0.00 0.00 55.95 57.10 1d7d s SER 178 Cb -0.12 -0.60 1.39 0.00 -1.71 0.00 0.00 66.02 64.98 1d7d s SER 178 CO 0.21 0.10 2.01 0.00 1.20 0.00 0.00 173.24 176.76 1d7d h ALA 179 N 6.48 1.07 -0.21 5.45 0.00 -1.93 -2.72 119.26 127.39 1d7d h ALA 179 Ca -0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1d7d h ALA 179 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1d7d h ALA 179 CO 0.48 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.93 1d7d n ASN 180 N -3.29 1.32 -0.23 0.00 3.02 -1.26 -4.44 115.26 110.38 1d7d n ASN 180 Ca -0.00 -1.88 0.04 0.00 -0.03 0.00 0.00 54.58 52.70 1d7d n ASN 180 Cb 0.30 -0.14 0.15 0.00 -0.61 0.00 0.00 39.78 39.47 1d7d n ASN 180 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1d7d h TYR 181 N 1.54 0.19 -0.84 3.10 3.20 -1.79 -1.76 116.97 120.61 1d7d h TYR 181 Ca 0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1d7d h TYR 181 Cb 0.35 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1d7d h TYR 181 CO 0.14 -0.09 0.50 1.96 -1.64 0.00 0.00 178.16 179.03 1d7d h GLN 182 N 0.23 1.14 -0.05 1.82 7.50 -1.86 -1.33 115.11 122.55 1d7d h GLN 182 Ca 0.37 -0.10 -0.09 0.00 0.50 0.00 0.00 58.65 59.33 1d7d h GLN 182 Cb 0.62 -0.24 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 1d7d h GLN 182 CO -0.49 0.80 -0.38 -0.91 -1.50 0.00 0.00 178.83 176.35 1d7d h ASN 183 N 1.16 0.11 -0.19 1.46 4.21 -1.65 -2.19 115.58 118.49 1d7d h ASN 183 Ca 0.30 -0.04 0.05 0.00 1.21 0.00 0.00 56.30 57.83 1d7d h ASN 183 Cb -0.04 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 1d7d h ASN 183 CO -0.06 0.48 0.14 1.88 -1.29 0.00 0.00 177.43 178.59 1d7d h TYR 184 N 0.09 0.00 0.00 1.19 0.05 -0.90 -1.85 116.97 115.56 1d7d h TYR 184 Ca 0.01 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 1d7d h TYR 184 Cb 0.71 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.43 1d7d h TYR 184 CO 0.01 0.00 -0.51 -0.07 -1.05 0.00 0.00 178.16 176.54 1d7d h LEU 185 N 0.00 0.00 -0.47 3.88 3.38 -1.31 -3.50 115.31 117.29 1d7d h LEU 185 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1d7d h LEU 185 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1d7d h LEU 185 CO -0.00 0.51 0.00 0.59 0.09 0.00 0.00 178.44 179.63