#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 2.37 0.17 -0.43 0.00 0.48 -4.87 121.76 119.49 1d7d s ALA 3 Ca 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.16 1d7d s ALA 3 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1d7d s ALA 3 CO 0.00 -1.59 0.23 -1.54 0.00 0.00 0.00 175.76 172.86 1d7d s SER 4 N -3.38 0.11 0.26 0.00 1.04 -0.11 -4.85 113.70 106.77 1d7d s SER 4 Ca 0.61 -1.05 -0.26 0.00 0.48 0.00 0.00 55.95 55.72 1d7d s SER 4 Cb -0.17 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.27 1d7d s SER 4 CO 0.54 -0.88 0.89 -1.10 0.98 0.00 0.00 173.24 173.67 1d7d s GLN 5 N -4.03 4.63 0.11 4.02 -0.21 -1.26 -1.01 119.66 121.92 1d7d s GLN 5 Ca 0.23 1.30 -0.18 0.00 0.02 0.00 0.00 55.36 56.74 1d7d s GLN 5 Cb 0.04 -3.03 0.04 0.00 1.00 0.00 0.00 33.01 31.06 1d7d s GLN 5 CO 0.04 0.41 0.44 -0.59 -2.12 0.00 0.00 175.29 173.48 1d7d s PHE 6 N -1.40 -0.28 -0.10 0.91 -0.12 0.38 -4.96 117.98 112.41 1d7d s PHE 6 Ca 0.44 0.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.39 1d7d s PHE 6 Cb -0.21 0.30 -0.02 0.00 -0.63 0.00 0.00 43.02 42.46 1d7d s PHE 6 CO 0.26 -0.70 -0.11 0.99 -0.05 0.00 0.00 175.22 175.61 1d7d s THR 7 N -3.48 3.24 -0.06 -4.49 2.01 -1.26 0.27 115.64 111.88 1d7d s THR 7 Ca 0.01 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 1d7d s THR 7 Cb 0.01 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 1d7d s THR 7 CO -0.10 0.55 1.53 -0.62 -0.69 0.00 0.00 174.62 175.30 1d7d s ASP 8 N -0.13 6.75 0.33 3.53 -1.08 0.20 -4.87 116.67 121.39 1d7d s ASP 8 Ca -0.00 2.13 0.05 0.00 -0.52 0.00 0.00 52.55 54.20 1d7d s ASP 8 Cb -0.13 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.35 1d7d s ASP 8 CO 0.03 -0.85 1.83 1.55 0.52 0.00 0.00 175.17 178.24 1d7d h PRO 9 N 8.88 0.44 0.06 4.34 0.13 -1.95 0.69 132.00 144.60 1d7d h PRO 9 Ca -0.37 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1d7d h PRO 9 Cb 1.16 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1d7d h PRO 9 CO 0.95 0.57 -0.03 1.15 -0.23 0.00 0.00 178.00 180.40 1d7d h THR 10 N 0.41 0.88 0.00 1.56 2.02 -1.98 -3.37 112.91 112.43 1d7d h THR 10 Ca 0.08 -1.47 -0.00 0.00 0.77 0.00 0.00 66.41 65.78 1d7d h THR 10 Cb 0.47 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1d7d h THR 10 CO 0.03 0.27 -0.55 0.71 0.37 0.00 0.00 175.52 176.35 1d7d h THR 11 N -0.96 0.01 0.00 3.16 1.35 -1.96 -3.47 112.91 111.04 1d7d h THR 11 Ca -0.01 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1d7d h THR 11 Cb 0.52 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1d7d h THR 11 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1d7d n GLY 12 N 1.15 1.03 3.77 5.82 0.00 0.24 -4.99 105.19 112.21 1d7d n GLY 12 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.08 2.70 -0.28 1.61 0.40 -1.25 -4.57 117.98 113.49 1d7d s PHE 13 Ca 0.00 1.16 -0.11 0.00 -0.60 0.00 0.00 56.93 57.38 1d7d s PHE 13 Cb 0.00 -3.96 -0.05 0.00 0.51 0.00 0.00 43.02 39.52 1d7d s PHE 13 CO 0.00 -2.86 0.20 -0.65 0.70 0.00 0.00 175.22 172.60 1d7d s GLN 14 N -1.80 3.92 0.34 0.44 -0.21 -1.26 0.58 119.66 121.67 1d7d s GLN 14 Ca 0.54 -0.33 0.07 0.00 0.02 0.00 0.00 55.36 55.65 1d7d s GLN 14 Cb -0.45 -3.67 -0.07 0.00 1.00 0.00 0.00 33.01 29.82 1d7d s GLN 14 CO 0.59 -0.20 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.47 1d7d s PHE 15 N 1.76 2.26 -0.11 0.91 0.08 0.14 -4.71 117.98 118.31 1d7d s PHE 15 Ca 0.07 -0.67 0.03 0.00 0.12 0.00 0.00 56.93 56.48 1d7d s PHE 15 Cb -0.16 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 1d7d s PHE 15 CO 0.11 0.38 -0.23 0.99 -0.10 0.00 0.00 175.22 176.37 1d7d s THR 16 N -2.85 2.11 -1.85 0.64 2.01 -0.18 -0.47 115.64 115.06 1d7d s THR 16 Ca 0.33 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1d7d s THR 16 Cb 0.06 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.76 1d7d s THR 16 CO 0.16 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.25 1d7d n GLY 17 N 3.65 -0.60 3.24 4.40 0.00 -0.18 -0.81 105.19 114.90 1d7d n GLY 17 Ca -0.19 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.41 0.09 -0.17 -0.61 -4.36 -0.56 -0.94 121.20 111.23 1d7d s ILE 18 Ca 0.00 -1.65 -0.01 0.00 -0.26 0.00 0.00 60.65 58.74 1d7d s ILE 18 Cb 0.00 -1.93 -0.00 0.00 1.25 0.00 0.00 42.46 41.77 1d7d s ILE 18 CO 0.00 -0.39 -0.13 -0.89 0.24 0.00 0.00 174.94 173.77 1d7d s THR 19 N -4.01 2.79 -0.21 8.37 2.01 -1.26 -0.69 115.64 122.64 1d7d s THR 19 Ca 0.20 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.20 1d7d s THR 19 Cb 0.05 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 1d7d s THR 19 CO 0.01 0.50 1.49 -0.62 -0.69 0.00 0.00 174.62 175.30 1d7d s ASP 20 N 0.99 6.57 0.44 3.53 2.15 0.04 -4.92 116.67 125.46 1d7d s ASP 20 Ca -0.02 1.60 0.28 0.00 0.43 0.00 0.00 52.55 54.84 1d7d s ASP 20 Cb -0.15 -2.53 0.96 0.00 -0.30 0.00 0.00 42.92 40.90 1d7d s ASP 20 CO -0.02 -1.10 1.81 1.55 -0.17 0.00 0.00 175.17 177.24 1d7d h PRO 21 N 9.85 0.00 -0.02 4.34 0.13 -1.96 0.20 132.00 144.55 1d7d h PRO 21 Ca -0.31 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.75 1d7d h PRO 21 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1d7d h PRO 21 CO 1.00 0.00 -0.24 0.28 -0.23 0.00 0.00 178.00 178.81 1d7d h VAL 22 N 0.00 1.51 -0.02 1.56 2.07 -1.97 -3.33 116.25 116.07 1d7d h VAL 22 Ca 0.00 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1d7d h VAL 22 Cb 0.65 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1d7d h VAL 22 CO 0.00 0.50 -0.01 1.41 0.02 0.00 0.00 177.57 179.49 1d7d n HIS 23 N -4.52 0.00 -3.88 1.57 8.25 -1.24 -4.98 115.22 110.43 1d7d n HIS 23 Ca -0.09 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.09 1d7d n HIS 23 Cb 0.48 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.61 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 0.92 -2.95 -4.70 0.41 8.00 0.70 -4.58 116.55 114.35 1d7d n ASP 24 Ca 0.10 -0.84 -0.36 0.00 0.71 0.00 0.00 54.79 54.40 1d7d n ASP 24 Cb 0.42 -3.74 -0.08 0.00 -0.02 0.00 0.00 41.12 37.70 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 -3.50 5.37 -0.13 2.53 1.01 -1.14 -4.42 120.40 120.11 1d7d s VAL 25 Ca 0.38 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 1d7d s VAL 25 Cb -0.19 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1d7d s VAL 25 CO 0.84 0.39 0.25 -0.89 0.00 0.00 0.00 175.10 175.69 1d7d s THR 26 N 0.71 5.32 -0.16 3.92 2.01 -0.47 -0.78 115.64 126.19 1d7d s THR 26 Ca 0.09 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1d7d s THR 26 Cb -0.12 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1d7d s THR 26 CO 0.02 0.47 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.95 1d7d s TYR 27 N -0.10 2.78 0.04 4.92 1.51 0.13 -1.10 117.35 125.53 1d7d s TYR 27 Ca 0.16 -1.18 0.03 0.00 -1.01 0.00 0.00 57.07 55.07 1d7d s TYR 27 Cb -0.13 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 1d7d s TYR 27 CO 0.04 -0.56 -0.10 0.20 -1.11 0.00 0.00 175.55 174.03 1d7d s GLY 28 N 0.95 0.60 -0.00 0.71 0.00 -0.22 -1.50 107.32 107.87 1d7d s GLY 28 Ca -0.03 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 43.95 1d7d s GLY 28 CO -0.03 -0.77 -0.02 -1.36 0.00 0.00 0.00 173.10 170.92 1d7d s PHE 29 N -1.08 0.19 -0.04 1.90 0.40 0.01 -0.81 117.98 118.55 1d7d s PHE 29 Ca -0.04 -0.04 -0.06 0.00 -0.60 0.00 0.00 56.93 56.19 1d7d s PHE 29 Cb -0.08 -0.13 0.01 0.00 0.51 0.00 0.00 43.02 43.33 1d7d s PHE 29 CO 0.01 -0.00 0.14 0.54 0.70 0.00 0.00 175.22 176.61 1d7d s VAL 30 N -0.04 0.02 0.19 -0.44 0.11 0.43 -1.01 120.40 119.67 1d7d s VAL 30 Ca 0.01 -0.19 0.10 0.00 -2.93 0.00 0.00 61.98 58.96 1d7d s VAL 30 Cb -0.01 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1d7d s VAL 30 CO -0.00 -0.10 -0.13 -0.36 -3.33 0.00 0.00 175.10 171.18 1d7d s PHE 31 N -0.31 2.55 0.85 1.54 0.40 0.27 -0.75 117.98 122.53 1d7d s PHE 31 Ca -0.04 -0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 55.93 1d7d s PHE 31 Cb -0.03 -1.23 0.11 0.00 0.51 0.00 0.00 43.02 42.37 1d7d s PHE 31 CO 0.01 0.53 1.10 -1.25 0.70 0.00 0.00 175.22 176.30 1d7d s PRO 32 N -2.87 1.58 0.26 0.24 0.05 -1.26 -0.62 135.00 132.37 1d7d s PRO 32 Ca 0.25 1.19 -0.29 0.00 0.05 0.00 0.00 61.00 62.20 1d7d s PRO 32 Cb -0.08 -1.82 -0.15 0.00 0.05 0.00 0.00 34.50 32.50 1d7d s PRO 32 CO 0.14 -2.12 0.96 -2.30 0.05 0.00 0.00 177.00 173.73 1d7d n PRO 33 N -3.85 1.14 -1.76 0.56 -0.02 -1.25 -4.50 135.00 125.32 1d7d n PRO 33 Ca 0.09 0.40 -0.40 0.00 -2.02 0.00 0.00 63.50 61.58 1d7d n PRO 33 Cb 0.53 -1.74 0.02 0.00 -0.02 0.00 0.00 33.50 32.30 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 1.44 5.20 -4.85 2.45 4.77 -1.26 -4.82 117.00 119.92 1d7d n LEU 34 Ca 0.11 1.09 -0.32 0.00 -0.03 0.00 0.00 56.01 56.87 1d7d n LEU 34 Cb 0.30 -1.60 -0.04 0.00 -2.33 0.00 0.00 43.42 39.75 1d7d n LEU 34 CO 0.60 -0.26 0.55 0.00 -1.33 0.00 0.00 177.39 176.95 1d7d s ALA 35 N -1.21 3.21 -0.15 -1.18 0.00 -1.26 -4.98 121.76 116.18 1d7d s ALA 35 Ca 0.64 0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.73 1d7d s ALA 35 Cb -0.44 -2.92 -0.23 0.00 0.00 0.00 0.00 23.12 19.53 1d7d s ALA 35 CO 0.56 -0.04 0.26 0.25 0.00 0.00 0.00 175.76 176.78 1d7d n THR 36 N -1.24 1.54 -3.95 0.00 -2.24 -1.26 -4.77 114.28 102.36 1d7d n THR 36 Ca 0.05 -0.76 -0.31 0.00 -2.27 0.00 0.00 64.05 60.76 1d7d n THR 36 Cb 0.54 -1.00 -0.15 0.00 -2.10 0.00 0.00 70.33 67.62 1d7d n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1d7d s SER 37 N -6.08 4.37 0.00 3.42 1.04 -1.26 -5.10 113.70 110.08 1d7d s SER 37 Ca -0.14 -1.73 0.00 0.00 0.48 0.00 0.00 55.95 54.56 1d7d s SER 37 Cb 0.07 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.83 1d7d s SER 37 CO 0.78 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.28 1d7d n GLY 38 N 4.49 0.04 3.79 7.32 0.00 -1.26 -5.02 105.19 114.55 1d7d n GLY 38 Ca -0.03 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.43 1d7d n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d7d s ALA 39 N -2.00 2.59 0.62 4.61 0.00 -1.26 -4.88 121.76 121.44 1d7d s ALA 39 Ca 0.00 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 52.30 1d7d s ALA 39 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1d7d s ALA 39 CO 0.00 -1.10 0.99 -0.65 0.00 0.00 0.00 175.76 175.00 1d7d s GLN 40 N -4.20 3.21 0.67 0.00 -1.52 -1.26 -4.76 119.66 111.80 1d7d s GLN 40 Ca 0.65 0.42 -0.17 0.00 -1.95 0.00 0.00 55.36 54.31 1d7d s GLN 40 Cb -0.18 -2.14 0.00 0.00 -0.22 0.00 0.00 33.01 30.47 1d7d s GLN 40 CO 0.41 -0.69 1.26 0.45 -0.25 0.00 0.00 175.29 176.47 1d7d s SER 41 N -4.25 4.50 -0.09 5.90 0.15 -1.26 -4.94 113.70 113.70 1d7d s SER 41 Ca 0.55 2.53 0.15 0.00 0.70 0.00 0.00 55.95 59.88 1d7d s SER 41 Cb -0.11 -2.61 0.50 0.00 -1.71 0.00 0.00 66.02 62.10 1d7d s SER 41 CO 0.50 -2.07 1.42 0.35 1.20 0.00 0.00 173.24 174.65 1d7d n THR 42 N -2.14 1.66 -4.32 6.45 -2.24 -1.26 -4.94 114.28 107.49 1d7d n THR 42 Ca 0.15 -1.34 -0.25 0.00 -2.27 0.00 0.00 64.05 60.34 1d7d n THR 42 Cb 0.49 0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.83 2.10 0.23 -0.78 -1.05 -1.26 -0.36 118.70 115.75 1d7d s GLU 43 Ca 0.38 -1.81 -0.17 0.00 -0.15 0.00 0.00 54.97 53.23 1d7d s GLU 43 Cb 0.25 -1.91 0.02 0.00 -0.44 0.00 0.00 34.13 32.05 1d7d s GLU 43 CO 0.16 0.06 0.54 -0.59 0.95 0.00 0.00 175.26 176.39 1d7d s PHE 44 N -2.56 0.03 -0.07 4.83 -0.12 -0.93 -4.45 117.98 114.71 1d7d s PHE 44 Ca 0.36 -0.40 0.02 0.00 -0.05 0.00 0.00 56.93 56.87 1d7d s PHE 44 Cb 0.02 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.77 1d7d s PHE 44 CO 0.20 -1.00 -0.12 0.42 -0.05 0.00 0.00 175.22 174.66 1d7d s ILE 45 N -3.93 3.22 0.28 -4.49 1.01 0.07 -0.77 121.20 116.59 1d7d s ILE 45 Ca 0.14 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.17 1d7d s ILE 45 Cb -0.02 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 40.11 1d7d s ILE 45 CO 0.03 0.58 0.02 -0.83 0.00 0.00 0.00 174.94 174.74 1d7d s GLY 46 N -0.59 1.83 -0.03 6.18 0.00 0.09 -0.43 107.32 114.36 1d7d s GLY 46 Ca 0.09 -1.92 -0.08 0.00 0.00 0.00 0.00 44.72 42.81 1d7d s GLY 46 CO 0.01 -1.75 0.18 -1.83 0.00 0.00 0.00 173.10 169.71 1d7d s GLU 47 N -3.87 0.38 -0.14 2.90 -1.05 0.01 -1.06 118.70 115.87 1d7d s GLU 47 Ca 0.33 -0.08 0.01 0.00 -0.15 0.00 0.00 54.97 55.08 1d7d s GLU 47 Cb 0.07 0.17 0.02 0.00 -0.44 0.00 0.00 34.13 33.94 1d7d s GLU 47 CO 0.12 -0.08 -0.16 0.08 0.95 0.00 0.00 175.26 176.18 1d7d s VAL 48 N -0.70 1.64 -0.32 1.83 1.01 -0.10 -1.05 120.40 122.70 1d7d s VAL 48 Ca -0.08 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1d7d s VAL 48 Cb -0.05 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.88 1d7d s VAL 48 CO 0.01 0.47 0.04 -0.69 0.00 0.00 0.00 175.10 174.93 1d7d s VAL 49 N 1.29 3.15 -0.01 2.92 1.01 -0.26 -0.08 120.40 128.42 1d7d s VAL 49 Ca 0.01 -1.41 0.05 0.00 0.00 0.00 0.00 61.98 60.64 1d7d s VAL 49 Cb -0.14 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1d7d s VAL 49 CO -0.08 -0.18 -0.17 0.00 0.00 0.00 0.00 175.10 174.68 1d7d s ALA 50 N 1.27 1.40 0.60 5.51 0.00 0.91 -1.36 121.76 130.09 1d7d s ALA 50 Ca -0.03 -0.73 -0.20 0.00 0.00 0.00 0.00 51.96 51.00 1d7d s ALA 50 Cb -0.20 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1d7d s ALA 50 CO -0.01 0.34 1.34 -2.14 0.00 0.00 0.00 175.76 175.29 1d7d s PRO 51 N -0.39 2.83 0.46 0.00 0.02 -1.26 0.20 135.00 136.86 1d7d s PRO 51 Ca 0.06 2.18 0.32 0.00 0.02 0.00 0.00 61.00 63.58 1d7d s PRO 51 Cb -0.07 -2.05 1.56 0.00 0.02 0.00 0.00 34.50 33.97 1d7d s PRO 51 CO -0.01 -1.42 1.96 -0.84 -0.33 0.00 0.00 177.00 176.36 1d7d h ILE 52 N 0.99 0.00 0.00 2.83 3.07 -1.65 0.47 117.51 123.22 1d7d h ILE 52 Ca -0.51 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1d7d h ILE 52 Cb 1.32 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 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 -1.93 1.53 -2.18 0.16 0.00 -1.26 -4.50 120.51 112.32 1d7d n ALA 53 Ca -0.01 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1d7d n ALA 53 Cb 0.14 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 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 -4.07 5.89 0.05 0.00 0.01 0.16 -4.65 113.70 111.09 1d7d s SER 54 Ca 0.03 0.70 -0.02 0.00 1.31 0.00 0.00 55.95 57.97 1d7d s SER 54 Cb 0.08 -2.53 -0.27 0.00 0.21 0.00 0.00 66.02 63.51 1d7d s SER 54 CO 0.34 -1.82 1.02 0.11 0.41 0.00 0.00 173.24 173.30 1d7d h LYS 55 N 12.47 0.23 -2.94 12.44 1.79 -1.42 -3.45 116.57 135.70 1d7d h LYS 55 Ca -0.29 -0.40 -0.10 0.00 -2.18 0.00 0.00 60.65 57.68 1d7d h LYS 55 Cb 1.13 0.15 -0.19 0.00 -1.58 0.00 0.00 32.23 31.74 1d7d h LYS 55 CO 1.13 1.14 -0.18 1.67 -1.08 0.00 0.00 179.45 182.12 1d7d s TRP 56 N -2.64 -0.24 -0.02 -1.35 1.48 -1.12 -4.53 118.94 110.52 1d7d s TRP 56 Ca -0.06 0.33 0.05 0.00 -1.06 0.00 0.00 56.10 55.36 1d7d s TRP 56 Cb 0.07 0.16 -0.01 0.00 -1.16 0.00 0.00 33.47 32.53 1d7d s TRP 56 CO 0.87 -0.46 -0.16 0.42 -4.06 0.00 0.00 176.95 173.56 1d7d s ILE 57 N -1.66 1.25 0.13 0.66 -1.09 -0.69 -1.63 121.20 118.16 1d7d s ILE 57 Ca -0.11 -0.66 0.10 0.00 -2.23 0.00 0.00 60.65 57.75 1d7d s ILE 57 Cb -0.03 -1.05 -0.04 0.00 -1.58 0.00 0.00 42.46 39.76 1d7d s ILE 57 CO 0.03 0.36 -0.24 -0.83 -1.23 0.00 0.00 174.94 173.03 1d7d s GLY 58 N -0.28 1.44 -0.11 6.18 0.00 0.46 -1.61 107.32 113.39 1d7d s GLY 58 Ca 0.04 -1.39 0.03 0.00 0.00 0.00 0.00 44.72 43.40 1d7d s GLY 58 CO -0.00 -1.39 -0.19 -0.42 0.00 0.00 0.00 173.10 171.10 1d7d s ILE 59 N -1.21 1.78 -0.44 0.90 1.01 0.72 -0.63 121.20 123.33 1d7d s ILE 59 Ca 0.11 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 1d7d s ILE 59 Cb -0.10 -1.58 0.06 0.00 0.01 0.00 0.00 42.46 40.85 1d7d s ILE 59 CO 0.06 0.50 0.32 0.00 0.00 0.00 0.00 174.94 175.82 1d7d s ALA 60 N 0.71 3.45 -0.68 9.38 0.00 0.00 -0.17 121.76 134.45 1d7d s ALA 60 Ca -0.11 -2.02 0.23 0.00 0.00 0.00 0.00 51.96 50.06 1d7d s ALA 60 Cb -0.16 -2.88 0.90 0.00 0.00 0.00 0.00 23.12 20.98 1d7d s ALA 60 CO 0.02 -1.63 1.71 1.28 0.00 0.00 0.00 175.76 177.14 1d7d n LEU 61 N 5.10 0.52 -0.89 0.00 4.77 -0.34 -1.10 117.00 125.06 1d7d n LEU 61 Ca -0.12 0.60 0.08 0.00 -0.03 0.00 0.00 56.01 56.54 1d7d n LEU 61 Cb 0.44 -0.49 0.21 0.00 -2.33 0.00 0.00 43.42 41.25 1d7d n LEU 61 CO 0.43 -0.36 0.67 0.61 -1.33 0.00 0.00 177.39 177.41 1d7d n GLY 62 N 0.46 2.50 1.86 -0.72 0.00 -1.26 -4.85 105.19 103.19 1d7d n GLY 62 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.94 0.68 3.29 -0.02 0.00 -0.26 -4.82 105.19 105.01 1d7d n GLY 63 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.46 0.27 0.11 4.61 0.00 -1.26 -4.56 121.76 118.47 1d7d s ALA 64 Ca 0.00 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 50.75 1d7d s ALA 64 Cb 0.00 0.90 -0.08 0.00 0.00 0.00 0.00 23.12 23.93 1d7d s ALA 64 CO 0.00 -0.61 1.42 1.98 0.00 0.00 0.00 175.76 178.55 1d7d h MET 65 N 2.62 0.80 -5.97 0.00 4.05 -1.96 -3.44 114.93 111.02 1d7d h MET 65 Ca -0.33 -0.45 -0.63 0.00 -0.28 0.00 0.00 59.70 58.01 1d7d h MET 65 Cb 1.22 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 32.00 1d7d h MET 65 CO 0.51 1.08 -0.53 -0.80 0.23 0.00 0.00 176.91 177.40 1d7d s ASN 66 N -6.72 6.13 -0.97 1.39 0.01 -1.26 -4.33 114.94 109.18 1d7d s ASN 66 Ca -0.12 0.21 -0.00 0.00 -0.71 0.00 0.00 52.86 52.24 1d7d s ASN 66 Cb 0.09 -1.83 0.00 0.00 0.41 0.00 0.00 41.25 39.92 1d7d s ASN 66 CO 0.86 0.18 0.01 0.59 -1.51 0.00 0.00 177.10 177.23 1d7d n ASN 67 N 0.44 -3.70 -3.64 -1.22 3.02 -1.19 -5.00 115.26 103.97 1d7d n ASN 67 Ca -0.07 -0.02 -0.10 0.00 -0.03 0.00 0.00 54.58 54.36 1d7d n ASN 67 Cb 0.51 -2.92 -0.04 0.00 -0.61 0.00 0.00 39.78 36.72 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 -2.50 -0.24 0.12 6.41 -4.77 -1.26 -4.97 116.67 109.46 1d7d s ASP 68 Ca 0.01 -0.33 -0.31 0.00 -3.30 0.00 0.00 52.55 48.62 1d7d s ASP 68 Cb -0.00 0.48 -0.09 0.00 -1.09 0.00 0.00 42.92 42.23 1d7d s ASP 68 CO 0.01 -0.87 1.46 -0.22 0.70 0.00 0.00 175.17 176.25 1d7d s LEU 69 N -2.81 4.37 -0.06 2.11 2.96 -1.26 -4.58 118.68 119.40 1d7d s LEU 69 Ca 0.03 2.42 0.02 0.00 -0.22 0.00 0.00 54.13 56.38 1d7d s LEU 69 Cb 0.02 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1d7d s LEU 69 CO -0.11 -0.72 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.34 1d7d s LEU 70 N 1.26 3.06 -0.12 -0.68 1.43 -0.70 -1.20 118.68 121.73 1d7d s LEU 70 Ca 0.67 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.69 1d7d s LEU 70 Cb -0.39 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1d7d s LEU 70 CO 0.30 0.36 -0.08 -0.76 0.23 0.00 0.00 176.35 176.40 1d7d s LEU 71 N -0.79 3.03 -0.01 1.79 1.43 0.76 -0.61 118.68 124.27 1d7d s LEU 71 Ca 0.12 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1d7d s LEU 71 Cb -0.11 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 1d7d s LEU 71 CO 0.01 0.23 -0.14 -0.69 0.23 0.00 0.00 176.35 175.98 1d7d s VAL 72 N 0.00 1.14 0.03 -1.59 1.01 -0.55 -0.20 120.40 120.24 1d7d s VAL 72 Ca -0.01 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 1d7d s VAL 72 Cb -0.14 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1d7d s VAL 72 CO 0.03 0.33 0.34 0.00 0.00 0.00 0.00 175.10 175.79 1d7d s ALA 73 N -0.28 -0.79 0.16 5.51 0.00 -0.64 -1.32 121.76 124.40 1d7d s ALA 73 Ca 0.04 0.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.97 1d7d s ALA 73 Cb -0.06 0.28 0.04 0.00 0.00 0.00 0.00 23.12 23.38 1d7d s ALA 73 CO -0.00 -0.40 0.47 1.67 0.00 0.00 0.00 175.76 177.50 1d7d s TRP 74 N -2.32 -0.22 0.01 0.00 -2.14 -0.33 -1.71 118.94 112.24 1d7d s TRP 74 Ca -0.06 -0.09 -0.22 0.00 2.66 0.00 0.00 56.10 58.38 1d7d s TRP 74 Cb -0.01 0.35 -0.05 0.00 -3.10 0.00 0.00 33.47 30.65 1d7d s TRP 74 CO -0.02 -0.80 0.65 0.00 -2.66 0.00 0.00 176.95 174.12 1d7d s ALA 75 N -3.82 3.45 -0.39 2.67 0.00 -1.26 -0.48 121.76 121.92 1d7d s ALA 75 Ca 0.05 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1d7d s ALA 75 Cb 0.00 -2.82 0.12 0.00 0.00 0.00 0.00 23.12 20.42 1d7d s ALA 75 CO -0.09 0.14 0.16 1.21 0.00 0.00 0.00 175.76 177.18 1d7d s ASN 76 N -0.19 4.14 1.90 0.00 2.47 0.17 -4.91 114.94 118.53 1d7d s ASN 76 Ca 0.33 -2.31 0.00 0.00 0.42 0.00 0.00 52.86 51.30 1d7d s ASN 76 Cb -0.19 -1.24 0.00 0.00 -1.45 0.00 0.00 41.25 38.37 1d7d s ASN 76 CO 0.19 -0.33 0.00 0.61 -3.72 0.00 0.00 177.10 173.85 1d7d n GLY 77 N 4.00 3.55 1.62 1.21 0.00 -1.26 -2.02 105.19 112.29 1d7d n GLY 77 Ca 0.04 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 6.32 4.84 -4.35 1.61 6.94 -1.26 -4.91 115.26 124.46 1d7d n ASN 78 Ca 0.00 -2.65 -0.27 0.00 -0.02 0.00 0.00 54.58 51.65 1d7d n ASN 78 Cb 0.00 -0.62 -0.13 0.00 -2.36 0.00 0.00 39.78 36.68 1d7d n ASN 78 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1d7d s GLN 79 N -2.25 1.29 -0.17 -3.83 -0.21 -0.86 -4.87 119.66 108.76 1d7d s GLN 79 Ca 0.47 -1.28 -0.17 0.00 0.02 0.00 0.00 55.36 54.41 1d7d s GLN 79 Cb 0.34 -1.68 -0.04 0.00 1.00 0.00 0.00 33.01 32.63 1d7d s GLN 79 CO 0.18 0.39 0.42 0.42 -2.12 0.00 0.00 175.29 174.58 1d7d s ILE 80 N -1.14 5.20 -0.22 1.08 -1.09 -1.26 0.44 121.20 124.21 1d7d s ILE 80 Ca 0.11 0.80 -0.09 0.00 -2.23 0.00 0.00 60.65 59.24 1d7d s ILE 80 Cb -0.10 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 1d7d s ILE 80 CO 0.05 0.29 0.12 -0.69 -1.23 0.00 0.00 174.94 173.49 1d7d s VAL 81 N 0.98 5.13 0.13 2.92 1.01 0.36 -4.94 120.40 126.00 1d7d s VAL 81 Ca 0.22 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 1d7d s VAL 81 Cb -0.15 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1d7d s VAL 81 CO 0.08 0.39 0.14 -0.94 0.00 0.00 0.00 175.10 174.78 1d7d s SER 82 N 0.80 0.21 0.08 3.32 1.04 -1.26 -1.19 113.70 116.71 1d7d s SER 82 Ca 0.06 -1.02 -0.26 0.00 0.48 0.00 0.00 55.95 55.22 1d7d s SER 82 Cb -0.13 0.34 0.08 0.00 0.10 0.00 0.00 66.02 66.41 1d7d s SER 82 CO 0.02 -0.78 0.67 -0.94 0.98 0.00 0.00 173.24 173.20 1d7d s SER 83 N -2.99 -0.55 -0.15 7.02 1.04 -0.44 -4.84 113.70 112.79 1d7d s SER 83 Ca 0.18 0.15 -0.10 0.00 0.48 0.00 0.00 55.95 56.66 1d7d s SER 83 Cb 0.06 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.68 1d7d s SER 83 CO -0.01 -0.83 0.19 0.42 0.98 0.00 0.00 173.24 173.99 1d7d s THR 84 N -3.08 5.39 0.28 2.02 -4.23 -1.26 -1.48 115.64 113.27 1d7d s THR 84 Ca -0.01 0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 1d7d s THR 84 Cb -0.01 -3.51 -0.06 0.00 1.34 0.00 0.00 72.50 70.27 1d7d s THR 84 CO -0.08 0.49 0.06 -0.13 -0.54 0.00 0.00 174.62 174.42 1d7d s ARG 85 N -0.11 1.51 -0.09 3.99 1.81 0.22 -1.60 118.95 124.68 1d7d s ARG 85 Ca 0.13 -1.82 -0.08 0.00 -1.72 0.00 0.00 55.73 52.24 1d7d s ARG 85 Cb -0.12 -0.62 0.02 0.00 -0.45 0.00 0.00 34.95 33.78 1d7d s ARG 85 CO 0.02 -0.20 0.24 -0.46 -0.68 0.00 0.00 175.30 174.22 1d7d s TRP 86 N -3.47 -0.26 -0.09 -0.53 -0.11 0.46 -1.72 118.94 113.22 1d7d s TRP 86 Ca 0.35 0.64 0.04 0.00 1.22 0.00 0.00 56.10 58.35 1d7d s TRP 86 Cb 0.08 0.09 -0.00 0.00 -1.50 0.00 0.00 33.47 32.13 1d7d s TRP 86 CO 0.14 -0.13 -0.24 0.00 -4.62 0.00 0.00 176.95 172.10 1d7d s ALA 87 N 0.10 2.20 -0.36 5.86 0.00 -1.26 -1.04 121.76 127.25 1d7d s ALA 87 Ca -0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 1d7d s ALA 87 Cb -0.02 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.33 1d7d s ALA 87 CO 0.00 0.31 0.16 0.99 0.00 0.00 0.00 175.76 177.23 1d7d s THR 88 N 0.24 4.17 0.16 0.00 2.01 -1.26 -3.15 115.64 117.80 1d7d s THR 88 Ca -0.16 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.80 1d7d s THR 88 Cb -0.17 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1d7d s THR 88 CO 0.08 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 1d7d n GLY 89 N 4.90 -2.01 2.51 4.40 0.00 -1.26 -4.44 105.19 109.29 1d7d n GLY 89 Ca -0.12 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.87 2.75 -4.20 1.61 4.01 -1.26 -4.83 117.16 112.36 1d7d n TYR 90 Ca -0.01 -2.96 -0.13 0.00 -0.16 0.00 0.00 57.90 54.63 1d7d n TYR 90 Cb 0.23 -2.26 -0.09 0.00 -0.31 0.00 0.00 39.34 36.91 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 1.25 0.00 -0.51 -0.72 -7.23 -1.26 -5.08 120.40 106.85 1d7d s VAL 91 Ca 0.57 -1.95 -0.35 0.00 -1.81 0.00 0.00 61.98 58.45 1d7d s VAL 91 Cb 0.16 -2.49 -0.17 0.00 0.56 0.00 0.00 36.38 34.45 1d7d s VAL 91 CO -0.07 0.00 1.90 1.67 -0.31 0.00 0.00 175.10 178.30 1d7d n GLN 92 N -0.36 0.00 -1.94 4.82 -0.06 -1.26 -4.81 117.38 113.77 1d7d n GLN 92 Ca 0.03 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.63 1d7d n GLN 92 Cb 0.65 -1.26 0.00 0.00 -4.06 0.00 0.00 30.24 25.57 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 5.60 3.89 0.52 3.69 0.02 -1.26 -4.88 135.00 142.57 1d7d s PRO 93 Ca 1.04 2.30 0.04 0.00 0.02 0.00 0.00 61.00 64.40 1d7d s PRO 93 Cb -1.22 -2.75 0.02 0.00 0.02 0.00 0.00 34.50 30.57 1d7d s PRO 93 CO 0.53 -0.61 0.27 0.95 -0.33 0.00 0.00 177.00 177.81 1d7d s THR 94 N -1.22 1.58 0.25 0.99 -4.23 -0.21 -4.79 115.64 108.00 1d7d s THR 94 Ca 0.58 -1.65 -0.31 0.00 -1.18 0.00 0.00 61.69 59.13 1d7d s THR 94 Cb -0.41 -2.22 -0.11 0.00 1.34 0.00 0.00 72.50 71.09 1d7d s THR 94 CO 0.53 0.00 1.63 0.00 -0.54 0.00 0.00 174.62 176.24 1d7d s ALA 95 N -2.79 3.82 0.32 3.99 0.00 -1.26 -0.40 121.76 125.43 1d7d s ALA 95 Ca 0.27 1.55 -0.29 0.00 0.00 0.00 0.00 51.96 53.49 1d7d s ALA 95 Cb -0.01 -3.66 -0.10 0.00 0.00 0.00 0.00 23.12 19.35 1d7d s ALA 95 CO 0.16 -0.93 1.32 -0.47 0.00 0.00 0.00 175.76 175.84 1d7d s TYR 96 N 0.54 3.06 -2.38 0.00 5.04 -0.63 -4.62 117.35 118.36 1d7d s TYR 96 Ca 0.68 1.38 0.19 0.00 -2.44 0.00 0.00 57.07 56.88 1d7d s TYR 96 Cb -0.48 -3.69 0.14 0.00 0.35 0.00 0.00 41.96 38.29 1d7d s TYR 96 CO 0.40 -1.92 1.10 0.25 -1.34 0.00 0.00 175.55 174.05 1d7d n THR 97 N 1.02 0.00 -1.38 4.34 -2.24 -1.26 -4.94 114.28 109.82 1d7d n THR 97 Ca 0.01 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1d7d n THR 97 Cb 0.42 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 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 1.11 -0.43 3.36 3.38 0.00 -1.26 -5.01 105.19 106.34 1d7d n GLY 98 Ca 0.11 -1.77 -0.46 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.49 5.14 -0.18 2.61 2.01 -1.26 -4.95 115.64 118.51 1d7d s THR 99 Ca 0.00 -1.64 -0.07 0.00 0.31 0.00 0.00 61.69 60.29 1d7d s THR 99 Cb 0.00 -4.49 0.08 0.00 0.01 0.00 0.00 72.50 68.10 1d7d s THR 99 CO 0.00 -1.09 0.40 0.00 -0.69 0.00 0.00 174.62 173.23 1d7d s ALA 100 N 1.67 -1.06 -0.21 7.40 0.00 -1.26 -4.42 121.76 123.88 1d7d s ALA 100 Ca 0.14 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1d7d s ALA 100 Cb -0.18 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.73 1d7d s ALA 100 CO -0.01 -0.67 -0.15 0.99 0.00 0.00 0.00 175.76 175.91 1d7d s THR 101 N 2.42 2.33 -0.29 0.00 2.01 0.10 -4.95 115.64 117.26 1d7d s THR 101 Ca -0.02 -1.03 -0.17 0.00 0.31 0.00 0.00 61.69 60.78 1d7d s THR 101 Cb -0.12 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1d7d s THR 101 CO -0.12 0.38 0.46 -0.76 -0.69 0.00 0.00 174.62 173.89 1d7d s LEU 102 N 1.28 4.14 -0.15 4.42 1.43 -1.26 0.23 118.68 128.78 1d7d s LEU 102 Ca 0.02 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1d7d s LEU 102 Cb -0.15 -2.54 -0.00 0.00 0.03 0.00 0.00 46.19 43.52 1d7d s LEU 102 CO -0.09 -0.30 -0.15 -0.89 0.23 0.00 0.00 176.35 175.14 1d7d s THR 103 N 2.23 2.74 -0.12 5.49 2.01 0.54 -4.96 115.64 123.57 1d7d s THR 103 Ca 0.18 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 1d7d s THR 103 Cb -0.16 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 1d7d s THR 103 CO 0.11 0.52 1.16 -0.89 -0.69 0.00 0.00 174.62 174.82 1d7d s THR 104 N 0.70 4.42 0.37 -0.82 2.01 -1.26 -0.10 115.64 120.95 1d7d s THR 104 Ca -0.07 1.73 -0.11 0.00 0.31 0.00 0.00 61.69 63.54 1d7d s THR 104 Cb -0.16 -4.11 -0.07 0.00 0.01 0.00 0.00 72.50 68.17 1d7d s THR 104 CO 0.02 -0.07 0.73 -0.76 -0.69 0.00 0.00 174.62 173.85 1d7d s LEU 105 N 2.71 3.92 0.32 4.42 1.43 0.14 -4.93 118.68 126.69 1d7d s LEU 105 Ca 0.52 1.12 0.24 0.00 -1.03 0.00 0.00 54.13 54.98 1d7d s LEU 105 Cb -0.21 -3.97 1.17 0.00 0.03 0.00 0.00 46.19 43.21 1d7d s LEU 105 CO 0.16 -0.32 1.72 -0.65 0.23 0.00 0.00 176.35 177.49 1d7d h PRO 106 N 1.60 0.00 0.00 1.29 0.11 -1.96 -1.16 132.00 131.88 1d7d h PRO 106 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1d7d h PRO 106 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1d7d h PRO 106 CO 0.65 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.83 1d7d n GLU 107 N -2.31 0.07 -1.64 1.05 4.71 -1.26 -4.81 120.64 116.44 1d7d n GLU 107 Ca -0.00 0.24 -0.47 0.00 -0.01 0.00 0.00 57.16 56.92 1d7d n GLU 107 Cb 0.11 -1.61 -0.04 0.00 -1.01 0.00 0.00 31.44 28.88 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 -1.74 0.33 -3.91 2.62 -1.04 -0.44 -4.82 114.28 105.29 1d7d n THR 108 Ca 0.04 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.05 61.82 1d7d n THR 108 Cb 0.24 -1.31 -0.15 0.00 -1.82 0.00 0.00 70.33 67.29 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 0.46 0.10 -0.13 12.58 2.01 -0.17 -4.97 115.64 125.52 1d7d s THR 109 Ca 0.77 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.81 1d7d s THR 109 Cb -0.74 -0.14 0.02 0.00 0.01 0.00 0.00 72.50 71.64 1d7d s THR 109 CO 0.44 0.07 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.65 1d7d s ILE 110 N 0.43 1.66 0.00 1.82 1.01 -1.26 -0.60 121.20 124.27 1d7d s ILE 110 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1d7d s ILE 110 Cb -0.06 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1d7d s ILE 110 CO -0.01 0.47 0.00 -0.46 0.00 0.00 0.00 174.94 174.94 1d7d n ASN 111 N 4.41 1.26 0.12 3.58 0.23 -0.42 -5.03 115.26 119.42 1d7d n ASN 111 Ca -0.19 -0.53 0.13 0.00 -0.53 0.00 0.00 54.58 53.46 1d7d n ASN 111 Cb 0.51 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.65 1d7d n ASN 111 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1d7d n SER 112 N -0.91 0.80 -0.01 0.53 3.41 -1.26 -3.82 113.62 112.35 1d7d n SER 112 Ca 0.00 0.62 0.01 0.00 -0.26 0.00 0.00 58.87 59.24 1d7d n SER 112 Cb 0.00 -0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 63.09 1d7d n SER 112 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1d7d n THR 113 N -2.30 0.11 -3.94 6.66 -2.24 -1.26 -4.87 114.28 106.44 1d7d n THR 113 Ca 0.04 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1d7d n THR 113 Cb 0.35 -0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.30 0.23 -0.08 4.78 3.76 -1.25 -1.71 115.29 118.71 1d7d s HIS 114 Ca -0.02 -0.55 0.02 0.00 -0.15 0.00 0.00 55.06 54.36 1d7d s HIS 114 Cb 0.03 -0.16 -0.02 0.00 1.11 0.00 0.00 32.58 33.54 1d7d s HIS 114 CO 0.22 -0.36 -0.15 1.67 -0.85 0.00 0.00 174.74 175.27 1d7d s TRP 115 N -2.68 2.71 -0.31 1.40 1.48 0.13 -1.30 118.94 120.38 1d7d s TRP 115 Ca -0.04 -0.45 0.03 0.00 -1.06 0.00 0.00 56.10 54.58 1d7d s TRP 115 Cb -0.01 -1.72 0.09 0.00 -1.16 0.00 0.00 33.47 30.67 1d7d s TRP 115 CO -0.05 -0.04 0.00 0.21 -4.06 0.00 0.00 176.95 173.01 1d7d s LYS 116 N -0.19 1.60 -0.37 3.25 2.20 0.24 -0.06 119.74 126.40 1d7d s LYS 116 Ca -0.00 -1.57 -0.16 0.00 -0.36 0.00 0.00 55.97 53.88 1d7d s LYS 116 Cb -0.13 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1d7d s LYS 116 CO 0.03 -0.82 0.37 -0.46 -0.36 0.00 0.00 175.35 174.12 1d7d s TRP 117 N 1.08 3.20 -0.22 4.03 -0.00 0.89 -1.00 118.94 126.93 1d7d s TRP 117 Ca 0.04 -0.20 -0.05 0.00 -0.00 0.00 0.00 56.10 55.89 1d7d s TRP 117 Cb -0.19 -2.72 -0.02 0.00 -0.00 0.00 0.00 33.47 30.54 1d7d s TRP 117 CO -0.09 -0.53 0.00 0.08 -0.00 0.00 0.00 176.95 176.42 1d7d s VAL 118 N 2.00 3.82 0.06 5.86 1.01 -1.26 -0.93 120.40 130.97 1d7d s VAL 118 Ca 0.11 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1d7d s VAL 118 Cb -0.17 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1d7d s VAL 118 CO 0.12 0.41 -0.06 0.72 0.00 0.00 0.00 175.10 176.29 1d7d s PHE 119 N 1.31 0.67 -0.14 5.22 -0.71 -0.23 0.24 117.98 124.35 1d7d s PHE 119 Ca 0.04 -0.81 -0.04 0.00 -1.04 0.00 0.00 56.93 55.08 1d7d s PHE 119 Cb -0.15 -0.42 -0.03 0.00 -1.21 0.00 0.00 43.02 41.21 1d7d s PHE 119 CO 0.01 -0.19 0.01 0.50 -1.34 0.00 0.00 175.22 174.20 1d7d s ARG 120 N -3.03 3.50 -0.37 1.99 3.52 0.85 -0.73 118.95 124.68 1d7d s ARG 120 Ca 0.02 -0.42 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 1d7d s ARG 120 Cb 0.00 -2.96 0.11 0.00 -1.56 0.00 0.00 34.95 30.54 1d7d s ARG 120 CO -0.04 0.43 0.10 0.00 -0.81 0.00 0.00 175.30 174.97 1d7d s GLN 122 N 0.80 4.05 -1.27 0.00 -0.21 0.13 -2.19 119.66 120.97 1d7d s GLN 122 Ca 0.11 0.57 0.00 0.00 0.02 0.00 0.00 55.36 56.06 1d7d s GLN 122 Cb -0.20 -3.16 0.00 0.00 1.00 0.00 0.00 33.01 30.65 1d7d s GLN 122 CO -0.07 0.62 0.00 0.41 -2.12 0.00 0.00 175.29 174.13 1d7d n GLY 123 N 1.52 0.07 0.54 3.09 0.00 -1.06 0.03 105.19 109.37 1d7d n GLY 123 Ca -0.10 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 0.12 0.21 -4.21 0.00 -2.24 -0.89 -4.84 114.28 102.41 1d7d n THR 125 Ca 0.09 -0.20 -0.20 0.00 -2.27 0.00 0.00 64.05 61.48 1d7d n THR 125 Cb 0.47 0.09 -0.16 0.00 -2.10 0.00 0.00 70.33 68.64 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 -3.14 0.88 0.38 -0.78 0.41 -1.26 -0.27 118.70 114.93 1d7d s GLU 126 Ca 0.06 -0.14 0.08 0.00 -0.41 0.00 0.00 54.97 54.56 1d7d s GLU 126 Cb 0.15 -0.86 -0.05 0.00 -1.78 0.00 0.00 34.13 31.59 1d7d s GLU 126 CO 0.75 -0.05 0.13 -1.58 -0.49 0.00 0.00 175.26 174.02 1d7d s TRP 127 N 0.80 2.61 -2.03 1.61 0.51 0.13 -4.92 118.94 117.65 1d7d s TRP 127 Ca -0.11 -0.51 0.08 0.00 -2.12 0.00 0.00 56.10 53.44 1d7d s TRP 127 Cb -0.14 -1.78 0.33 0.00 -0.81 0.00 0.00 33.47 31.07 1d7d s TRP 127 CO 0.01 0.29 1.24 0.27 -0.51 0.00 0.00 176.95 178.25 1d7d n ASN 128 N -1.15 0.86 -0.83 2.95 6.94 -1.26 -1.97 115.26 120.80 1d7d n ASN 128 Ca -0.02 -1.90 0.12 0.00 -0.02 0.00 0.00 54.58 52.76 1d7d n ASN 128 Cb 0.63 -0.10 0.29 0.00 -2.36 0.00 0.00 39.78 38.24 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 -0.07 2.53 0.00 0.53 6.94 -1.26 -4.93 115.26 118.99 1d7d n ASN 129 Ca 0.08 -1.84 0.00 0.00 -0.02 0.00 0.00 54.58 52.80 1d7d n ASN 129 Cb 0.15 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 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 1.31 0.90 0.43 4.83 0.00 -0.83 -5.06 105.19 106.77 1d7d n GLY 130 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 1.41 0.00 -0.02 0.00 -1.26 -4.85 105.19 98.48 1d7d n GLY 131 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 4.19 -0.77 3.59 -0.02 0.00 -1.26 -0.69 105.19 110.23 1d7d n GLY 132 Ca 0.02 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.00 3.63 -0.49 -0.61 1.01 0.63 -4.98 121.20 117.40 1d7d s ILE 133 Ca 0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.69 1d7d s ILE 133 Cb 0.00 -2.58 0.07 0.00 0.01 0.00 0.00 42.46 39.96 1d7d s ILE 133 CO 0.00 0.39 0.49 -0.62 0.00 0.00 0.00 174.94 175.20 1d7d s ASP 134 N -1.43 6.18 0.00 3.58 -1.08 -1.26 -4.83 116.67 117.83 1d7d s ASP 134 Ca 0.17 -1.15 0.18 0.00 -0.52 0.00 0.00 52.55 51.23 1d7d s ASP 134 Cb -0.11 -2.23 1.06 0.00 -1.46 0.00 0.00 42.92 40.18 1d7d s ASP 134 CO 0.08 -0.75 1.52 1.33 0.52 0.00 0.00 175.17 177.87 1d7d n VAL 135 N 5.38 0.00 0.85 1.11 0.24 -1.26 -1.97 118.33 122.68 1d7d n VAL 135 Ca -0.10 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.30 1d7d n VAL 135 Cb 0.44 -0.51 0.05 0.00 -1.47 0.00 0.00 33.84 32.36 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 -0.88 0.00 -2.83 3.34 -2.24 -1.26 -3.44 114.28 106.98 1d7d n THR 136 Ca 0.13 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1d7d n THR 136 Cb 0.06 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 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 0.65 0.88 -4.59 3.42 3.41 -0.83 -4.29 113.62 112.26 1d7d n SER 137 Ca 0.10 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.37 1d7d n SER 137 Cb 0.47 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.31 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 1.17 3.07 0.00 4.33 1.11 -1.26 -0.57 119.66 127.51 1d7d s GLN 138 Ca 0.00 -0.49 0.00 0.00 0.01 0.00 0.00 55.36 54.88 1d7d s GLN 138 Cb 0.00 -2.74 0.00 0.00 -1.01 0.00 0.00 33.01 29.26 1d7d s GLN 138 CO 0.00 0.56 0.00 0.41 0.01 0.00 0.00 175.29 176.27 1d7d n GLY 139 N 2.54 3.62 3.10 3.09 0.00 0.35 -4.95 105.19 112.94 1d7d n GLY 139 Ca -0.18 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.18 1.38 0.24 1.61 1.01 -1.26 -0.82 120.40 120.37 1d7d s VAL 140 Ca 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1d7d s VAL 140 Cb 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1d7d s VAL 140 CO 0.00 0.40 0.07 -0.76 0.00 0.00 0.00 175.10 174.82 1d7d s LEU 141 N 0.30 3.46 0.11 3.92 1.43 0.04 -2.75 118.68 125.18 1d7d s LEU 141 Ca -0.09 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 1d7d s LEU 141 Cb -0.14 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1d7d s LEU 141 CO 0.03 0.00 -0.05 0.00 0.23 0.00 0.00 176.35 176.56 1d7d s ALA 142 N -2.14 1.00 0.10 4.21 0.00 -0.97 -1.33 121.76 122.63 1d7d s ALA 142 Ca 0.31 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1d7d s ALA 142 Cb -0.08 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1d7d s ALA 142 CO 0.22 -0.25 -0.12 1.67 0.00 0.00 0.00 175.76 177.28 1d7d s TRP 143 N -3.65 1.18 0.03 0.00 1.48 -0.22 -0.81 118.94 116.95 1d7d s TRP 143 Ca 0.13 -0.61 0.04 0.00 -1.06 0.00 0.00 56.10 54.61 1d7d s TRP 143 Cb 0.05 -0.63 -0.02 0.00 -1.16 0.00 0.00 33.47 31.71 1d7d s TRP 143 CO -0.04 0.05 -0.13 0.00 -4.06 0.00 0.00 176.95 172.77 1d7d s ALA 144 N -2.26 1.08 0.02 2.67 0.00 0.20 -1.77 121.76 121.70 1d7d s ALA 144 Ca 0.06 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.28 1d7d s ALA 144 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1d7d s ALA 144 CO 0.01 0.20 -0.11 0.12 0.00 0.00 0.00 175.76 175.98 1d7d s PHE 145 N -0.83 0.94 0.01 0.00 2.19 -0.21 -0.41 117.98 119.66 1d7d s PHE 145 Ca 0.01 -0.30 0.00 0.00 0.33 0.00 0.00 56.93 56.97 1d7d s PHE 145 Cb -0.08 -0.57 -0.01 0.00 -1.31 0.00 0.00 43.02 41.06 1d7d s PHE 145 CO 0.01 -0.00 -0.02 0.45 1.83 0.00 0.00 175.22 177.48 1d7d s SER 146 N -0.86 0.22 -0.06 6.13 0.15 -0.65 -0.31 113.70 118.32 1d7d s SER 146 Ca 0.00 -0.15 0.19 0.00 0.70 0.00 0.00 55.95 56.69 1d7d s SER 146 Cb -0.06 0.01 0.64 0.00 -1.71 0.00 0.00 66.02 64.89 1d7d s SER 146 CO 0.00 -0.06 1.54 -0.46 1.20 0.00 0.00 173.24 175.47 1d7d n ASN 147 N 2.67 4.19 -4.40 5.45 0.23 -1.26 -1.30 115.26 120.83 1d7d n ASN 147 Ca -0.15 -2.23 -0.33 0.00 -0.53 0.00 0.00 54.58 51.34 1d7d n ASN 147 Cb 0.58 -0.50 -0.14 0.00 -2.08 0.00 0.00 39.78 37.65 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 -1.43 3.27 0.81 3.53 1.01 -1.26 -4.66 120.40 121.67 1d7d s VAL 148 Ca 0.47 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 1d7d s VAL 148 Cb 0.27 -2.39 0.08 0.00 0.00 0.00 0.00 36.38 34.35 1d7d s VAL 148 CO 0.27 0.52 1.18 0.00 0.00 0.00 0.00 175.10 177.06 1d7d s ALA 149 N 0.35 1.87 0.85 5.51 0.00 -1.26 -4.55 121.76 124.53 1d7d s ALA 149 Ca -0.09 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 1d7d s ALA 149 Cb -0.15 -3.45 0.10 0.00 0.00 0.00 0.00 23.12 19.62 1d7d s ALA 149 CO 0.05 -2.23 1.10 0.14 0.00 0.00 0.00 175.76 174.82 1d7d s VAL 150 N -2.31 2.78 0.31 0.00 -7.23 -1.26 -4.74 120.40 107.95 1d7d s VAL 150 Ca 0.71 0.25 0.07 0.00 -1.81 0.00 0.00 61.98 61.20 1d7d s VAL 150 Cb -0.26 -2.88 0.06 0.00 0.56 0.00 0.00 36.38 33.85 1d7d s VAL 150 CO 0.51 -0.33 1.74 0.44 -0.31 0.00 0.00 175.10 177.15 1d7d h ASP 151 N -1.34 0.23 -2.56 4.85 3.32 -1.49 -3.37 116.42 116.06 1d7d h ASP 151 Ca -0.49 -0.09 -0.55 0.00 0.02 0.00 0.00 57.03 55.92 1d7d h ASP 151 Cb 1.28 -0.06 -0.39 0.00 0.22 0.00 0.00 39.33 40.38 1d7d h ASP 151 CO 0.57 0.59 -0.83 -0.62 -1.72 0.00 0.00 179.24 177.24 1d7d s ASP 152 N -6.88 2.91 0.66 6.45 -1.08 -1.26 -5.02 116.67 112.45 1d7d s ASP 152 Ca -0.04 -1.99 0.38 0.00 -0.52 0.00 0.00 52.55 50.37 1d7d s ASP 152 Cb 0.14 -0.31 2.06 0.00 -1.46 0.00 0.00 42.92 43.35 1d7d s ASP 152 CO 0.76 -0.33 2.19 -0.65 0.52 0.00 0.00 175.17 177.66 1d7d h PRO 153 N 7.25 0.00 0.00 4.34 0.11 -1.96 -0.45 132.00 141.29 1d7d h PRO 153 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 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 0.28 0.00 -0.21 -1.13 -0.21 0.00 0.00 178.00 176.73 1d7d n SER 154 N -3.12 0.22 -4.53 -2.05 3.41 -1.26 -4.74 113.62 101.55 1d7d n SER 154 Ca -0.02 0.19 -0.41 0.00 -0.26 0.00 0.00 58.87 58.37 1d7d n SER 154 Cb 0.20 -0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 63.87 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 -3.04 6.16 0.58 4.04 2.15 -0.18 -4.94 116.67 121.43 1d7d s ASP 155 Ca 0.13 -0.38 0.28 0.00 0.43 0.00 0.00 52.55 53.01 1d7d s ASP 155 Cb 0.18 -2.19 1.67 0.00 -0.30 0.00 0.00 42.92 42.29 1d7d s ASP 155 CO 0.60 -0.36 2.16 -0.65 -0.17 0.00 0.00 175.17 176.75 1d7d h PRO 156 N 8.52 0.00 -0.63 4.34 0.11 -1.85 0.21 132.00 142.70 1d7d h PRO 156 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1d7d h PRO 156 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1d7d h PRO 156 CO 0.70 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.53 1d7d n GLN 157 N -3.92 4.25 -1.52 1.05 1.13 -1.26 -4.58 117.38 112.53 1d7d n GLN 157 Ca -0.00 -2.87 -0.43 0.00 -1.94 0.00 0.00 57.00 51.76 1d7d n GLN 157 Cb 0.21 -2.08 -0.00 0.00 0.11 0.00 0.00 30.24 28.48 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 0.79 0.07 -4.85 1.08 2.88 0.74 -5.00 113.62 109.33 1d7d n SER 158 Ca 0.26 1.02 -0.30 0.00 -1.33 0.00 0.00 58.87 58.52 1d7d n SER 158 Cb 1.03 -1.19 0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 -1.29 2.84 0.26 2.46 -4.23 -1.26 -4.91 115.64 109.50 1d7d s THR 159 Ca 0.62 0.27 -0.20 0.00 -1.18 0.00 0.00 61.69 61.20 1d7d s THR 159 Cb -0.64 -3.15 0.06 0.00 1.34 0.00 0.00 72.50 70.10 1d7d s THR 159 CO 0.58 -0.36 0.92 0.72 -0.54 0.00 0.00 174.62 175.95 1d7d s PHE 160 N -3.33 0.04 0.41 3.99 -0.12 -1.26 -1.16 117.98 116.55 1d7d s PHE 160 Ca 0.61 -0.53 -0.03 0.00 -0.05 0.00 0.00 56.93 56.92 1d7d s PHE 160 Cb -0.13 0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 42.97 1d7d s PHE 160 CO 0.52 -1.16 0.67 -1.12 -0.05 0.00 0.00 175.22 174.08 1d7d s SER 161 N -3.19 6.31 0.38 1.98 0.01 -1.26 -4.95 113.70 112.97 1d7d s SER 161 Ca 0.18 0.73 -0.24 0.00 1.31 0.00 0.00 55.95 57.92 1d7d s SER 161 Cb -0.04 -2.16 -0.12 0.00 0.21 0.00 0.00 66.02 63.91 1d7d s SER 161 CO 0.07 -0.42 0.80 1.21 0.41 0.00 0.00 173.24 175.31 1d7d n GLU 162 N -1.90 0.95 -1.55 12.44 2.13 -1.26 -4.90 120.64 126.55 1d7d n GLU 162 Ca -0.02 0.34 -0.37 0.00 0.66 0.00 0.00 57.16 57.77 1d7d n GLU 162 Cb 0.55 -1.72 0.06 0.00 0.27 0.00 0.00 31.44 30.60 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 -0.47 0.70 0.53 4.31 -0.00 -1.26 -4.93 115.22 114.10 1d7d n HIS 163 Ca 0.11 0.42 0.12 0.00 -0.00 0.00 0.00 57.72 58.37 1d7d n HIS 163 Cb 0.37 -2.11 0.16 0.00 -0.00 0.00 0.00 29.99 28.41 1d7d n HIS 163 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1d7d h THR 164 N 0.25 0.00 -3.41 0.61 1.35 -1.01 -3.48 112.91 107.22 1d7d h THR 164 Ca -0.48 -0.54 -0.06 0.00 -0.55 0.00 0.00 66.41 64.78 1d7d h THR 164 Cb 1.36 1.13 -0.13 0.00 -1.73 0.00 0.00 68.15 68.78 1d7d h THR 164 CO 0.49 0.00 -0.10 -0.62 -0.25 0.00 0.00 175.52 175.04 1d7d s ASP 165 N -4.36 -0.20 0.10 5.36 2.15 -1.05 -5.02 116.67 113.65 1d7d s ASP 165 Ca 0.06 -0.33 -0.14 0.00 0.43 0.00 0.00 52.55 52.57 1d7d s ASP 165 Cb 0.13 0.46 0.02 0.00 -0.30 0.00 0.00 42.92 43.23 1d7d s ASP 165 CO 0.72 -0.83 0.33 0.72 -0.17 0.00 0.00 175.17 175.95 1d7d s PHE 166 N -3.72 -0.10 0.28 -5.34 -0.12 -1.26 -1.05 117.98 106.67 1d7d s PHE 166 Ca 0.03 -0.21 -0.17 0.00 -0.05 0.00 0.00 56.93 56.52 1d7d s PHE 166 Cb 0.02 0.15 0.01 0.00 -0.63 0.00 0.00 43.02 42.58 1d7d s PHE 166 CO -0.11 -0.63 0.63 0.20 -0.05 0.00 0.00 175.22 175.26 1d7d s GLY 167 N -2.69 0.24 0.16 1.99 0.00 -0.73 -4.99 107.32 101.30 1d7d s GLY 167 Ca 0.02 -0.60 0.06 0.00 0.00 0.00 0.00 44.72 44.20 1d7d s GLY 167 CO -0.10 -0.34 -0.13 -1.36 0.00 0.00 0.00 173.10 171.17 1d7d s PHE 168 N -3.78 1.49 -0.12 1.90 0.40 -1.26 -1.06 117.98 115.55 1d7d s PHE 168 Ca 0.16 -0.62 -0.25 0.00 -0.60 0.00 0.00 56.93 55.62 1d7d s PHE 168 Cb -0.04 -0.73 0.06 0.00 0.51 0.00 0.00 43.02 42.82 1d7d s PHE 168 CO 0.09 0.21 0.61 -0.59 0.70 0.00 0.00 175.22 176.24 1d7d s PHE 169 N -2.83 -0.61 0.31 0.36 -0.71 -0.44 -4.82 117.98 109.23 1d7d s PHE 169 Ca 0.17 1.25 -0.21 0.00 -1.04 0.00 0.00 56.93 57.10 1d7d s PHE 169 Cb -0.01 0.30 -0.09 0.00 -1.21 0.00 0.00 43.02 42.01 1d7d s PHE 169 CO 0.04 -0.47 0.83 0.20 -1.34 0.00 0.00 175.22 174.48 1d7d s GLY 170 N -0.60 2.57 -0.02 1.99 0.00 -1.26 -0.78 107.32 109.23 1d7d s GLY 170 Ca -0.07 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.93 1d7d s GLY 170 CO 0.06 0.62 0.03 -1.50 0.00 0.00 0.00 173.10 172.31 1d7d s ILE 171 N -1.76 -0.03 -0.58 0.90 2.07 -0.00 -0.38 121.20 121.41 1d7d s ILE 171 Ca 0.51 0.11 -0.18 0.00 -1.41 0.00 0.00 60.65 59.67 1d7d s ILE 171 Cb -0.15 -0.07 0.11 0.00 0.13 0.00 0.00 42.46 42.49 1d7d s ILE 171 CO 0.20 0.04 0.66 -0.62 -1.91 0.00 0.00 174.94 173.31 1d7d s ASP 172 N 0.55 6.19 0.47 4.50 2.15 -1.26 -0.50 116.67 128.78 1d7d s ASP 172 Ca -0.05 -1.54 0.19 0.00 0.43 0.00 0.00 52.55 51.59 1d7d s ASP 172 Cb -0.06 -2.28 1.16 0.00 -0.30 0.00 0.00 42.92 41.44 1d7d s ASP 172 CO -0.02 -1.05 2.02 1.88 -0.17 0.00 0.00 175.17 177.83 1d7d h TYR 173 N 9.10 0.00 0.00 -5.34 0.05 -1.11 -2.41 116.97 117.26 1d7d h TYR 173 Ca -0.29 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.48 1d7d h TYR 173 Cb 1.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 1d7d h TYR 173 CO 0.81 0.17 -0.04 0.66 -1.05 0.00 0.00 178.16 178.72 1d7d h SER 174 N 0.00 0.00 -0.51 3.88 4.64 -1.57 -1.32 113.55 118.67 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 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1d7d h SER 174 CO 0.02 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 176.37 1d7d n THR 175 N -3.60 1.54 -0.86 2.95 -2.24 -0.91 -4.42 114.28 106.74 1d7d n THR 175 Ca -0.03 -1.22 0.08 0.00 -2.27 0.00 0.00 64.05 60.61 1d7d n THR 175 Cb 0.13 0.23 0.36 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.76 3.49 -2.65 6.98 0.00 -0.50 -4.96 120.51 123.64 1d7d n ALA 176 Ca 0.21 -1.95 -0.32 0.00 0.00 0.00 0.00 53.44 51.37 1d7d n ALA 176 Cb 0.71 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.58 3.51 -0.03 0.00 3.76 -1.26 -0.57 115.29 118.11 1d7d s HIS 177 Ca 0.50 0.63 0.01 0.00 -0.15 0.00 0.00 55.06 56.05 1d7d s HIS 177 Cb 0.38 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 32.03 1d7d s HIS 177 CO 0.16 0.46 -0.06 0.45 -0.85 0.00 0.00 174.74 174.90 1d7d s SER 178 N -2.21 0.95 0.55 1.40 0.15 0.21 -4.85 113.70 109.89 1d7d s SER 178 Ca 0.38 -0.14 0.37 0.00 0.70 0.00 0.00 55.95 57.26 1d7d s SER 178 Cb -0.13 -0.38 1.88 0.00 -1.71 0.00 0.00 66.02 65.68 1d7d s SER 178 CO 0.22 -0.01 2.11 0.00 1.20 0.00 0.00 173.24 176.76 1d7d h ALA 179 N 6.85 1.00 -0.27 5.45 0.00 -1.95 -2.40 119.26 127.93 1d7d h ALA 179 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1d7d h ALA 179 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1d7d h ALA 179 CO 0.48 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.82 1d7d n ASN 180 N -2.86 2.07 -0.21 0.00 3.02 -1.26 -4.47 115.26 111.54 1d7d n ASN 180 Ca -0.02 -1.84 0.02 0.00 -0.03 0.00 0.00 54.58 52.72 1d7d n ASN 180 Cb 0.12 -0.18 0.13 0.00 -0.61 0.00 0.00 39.78 39.24 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 2.56 0.21 -0.91 3.10 5.03 -1.74 0.50 116.97 125.72 1d7d h TYR 181 Ca 0.00 0.04 0.07 0.00 2.58 0.00 0.00 58.73 61.42 1d7d h TYR 181 Cb 0.57 0.01 -0.07 0.00 1.55 0.00 0.00 36.73 38.79 1d7d h TYR 181 CO 0.18 -0.05 0.57 0.37 -1.32 0.00 0.00 178.16 177.90 1d7d h GLN 182 N 0.26 0.98 -0.16 1.82 5.75 -1.85 -1.19 115.11 120.72 1d7d h GLN 182 Ca 0.35 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.73 1d7d h GLN 182 Cb 0.54 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1d7d h GLN 182 CO -0.44 0.65 -0.15 -0.91 -2.65 0.00 0.00 178.83 175.32 1d7d h ASN 183 N 1.01 0.24 0.27 -0.69 2.35 -1.23 -1.74 115.58 115.79 1d7d h ASN 183 Ca 0.41 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 56.03 1d7d h ASN 183 Cb 0.23 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1d7d h ASN 183 CO -0.19 0.42 -0.31 1.88 -1.65 0.00 0.00 177.43 177.58 1d7d h TYR 184 N 0.24 0.07 0.00 1.19 0.05 -0.49 -2.85 116.97 115.18 1d7d h TYR 184 Ca 0.05 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.71 1d7d h TYR 184 Cb 0.42 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 1d7d h TYR 184 CO 0.01 0.37 -0.48 -0.07 -1.05 0.00 0.00 178.16 176.93 1d7d h LEU 185 N 0.06 0.00 -0.34 3.88 3.38 -0.80 -3.50 115.31 117.99 1d7d h LEU 185 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1d7d h LEU 185 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1d7d h LEU 185 CO 0.04 0.48 0.00 0.59 0.09 0.00 0.00 178.44 179.64