#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qyq s PRO 2 N 0.00 4.69 -0.28 0.03 0.04 -1.26 -5.03 135.00 133.19 2qyq s PRO 2 Ca 0.00 1.47 0.01 0.00 0.04 0.00 0.00 61.00 62.52 2qyq s PRO 2 Cb 0.00 -3.37 0.06 0.00 0.04 0.00 0.00 34.50 31.23 2qyq s PRO 2 CO 0.00 0.21 -0.05 0.08 0.04 0.00 0.00 177.00 177.28 2qyq s VAL 3 N -0.04 2.58 -0.85 -0.36 1.01 -1.26 -4.96 120.40 116.53 2qyq s VAL 3 Ca 0.47 -1.53 -0.25 0.00 0.00 0.00 0.00 61.98 60.67 2qyq s VAL 3 Cb -0.24 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2qyq s VAL 3 CO 0.30 -0.09 1.79 -0.62 0.00 0.00 0.00 175.10 176.49 2qyq s ASP 4 N 1.18 5.48 0.00 3.32 2.15 -1.26 -4.79 116.67 122.75 2qyq s ASP 4 Ca -0.07 -0.57 0.18 0.00 0.43 0.00 0.00 52.55 52.53 2qyq s ASP 4 Cb -0.20 -2.55 0.95 0.00 -0.30 0.00 0.00 42.92 40.81 2qyq s ASP 4 CO -0.03 -2.39 1.53 0.18 -0.17 0.00 0.00 175.17 174.29 2qyq n LEU 5 N 12.50 0.00 0.25 -1.34 4.77 -1.26 -2.60 117.00 129.33 2qyq n LEU 5 Ca 0.32 0.22 0.17 0.00 -0.03 0.00 0.00 56.01 56.69 2qyq n LEU 5 Cb 0.49 -0.22 0.78 0.00 -2.33 0.00 0.00 43.42 42.14 2qyq n LEU 5 CO 0.64 -0.09 1.00 0.77 -1.33 0.00 0.00 177.39 178.38 2qyq h SER 6 N 0.00 0.00 -0.12 -1.43 4.64 -1.99 -2.16 113.55 112.49 2qyq h SER 6 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qyq h SER 6 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2qyq h SER 6 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2qyq n LYS 7 N -2.81 1.52 -0.21 4.77 4.76 -1.07 -4.30 118.16 120.83 2qyq n LYS 7 Ca -0.00 -0.79 0.01 0.00 -2.87 0.00 0.00 58.31 54.66 2qyq n LYS 7 Cb 0.19 -1.37 0.10 0.00 -1.84 0.00 0.00 35.03 32.11 2qyq n LYS 7 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 2qyq h TRP 8 N 1.60 -0.09 -0.55 2.13 2.91 -1.63 -0.88 115.95 119.45 2qyq h TRP 8 Ca 0.00 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 2qyq h TRP 8 Cb 0.35 0.14 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 2qyq h TRP 8 CO 0.07 -0.19 0.00 0.43 -1.03 0.00 0.00 178.44 177.72 2qyq n SER 9 N -5.31 3.00 -1.47 2.65 7.64 -1.26 -0.60 113.62 118.27 2qyq n SER 9 Ca 0.09 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.98 2qyq n SER 9 Cb 0.36 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2qyq n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qyq n GLY 10 N 1.40 0.26 0.32 0.23 0.00 -0.33 -4.58 105.19 102.48 2qyq n GLY 10 Ca 0.19 -1.34 0.15 0.00 0.00 0.00 0.00 46.02 45.03 2qyq n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qyq h PRO 11 N 0.00 0.00 0.00 1.61 0.13 -1.90 -1.09 132.00 130.75 2qyq h PRO 11 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2qyq h PRO 11 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2qyq h PRO 11 CO 0.00 0.00 -0.01 -0.07 -0.23 0.00 0.00 178.00 177.69 2qyq h LEU 12 N 0.00 0.00 -1.06 1.56 3.38 -1.82 -3.47 115.31 113.90 2qyq h LEU 12 Ca 0.06 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.57 2qyq h LEU 12 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2qyq h LEU 12 CO -0.00 0.01 -0.76 -1.20 0.09 0.00 0.00 178.44 176.58 2qyq n SER 13 N -3.10 -4.53 0.16 -0.43 7.64 -0.41 -4.83 113.62 108.12 2qyq n SER 13 Ca 0.01 -0.77 0.13 0.00 1.01 0.00 0.00 58.87 59.26 2qyq n SER 13 Cb 0.34 -3.99 0.53 0.00 -1.01 0.00 0.00 64.21 60.08 2qyq n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2qyq h LEU 14 N -2.12 0.00 -2.97 -3.43 3.38 -1.14 -1.80 115.31 107.23 2qyq h LEU 14 Ca -0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2qyq h LEU 14 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2qyq h LEU 14 CO 0.65 0.00 0.00 0.06 0.09 0.00 0.00 178.44 179.24 2qyq h GLN 15 N 0.00 0.00 -0.02 1.13 -0.00 -1.71 0.28 115.11 114.79 2qyq h GLN 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2qyq h GLN 15 Cb 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.89 2qyq h GLN 15 CO 0.00 0.00 0.05 0.93 -0.00 0.00 0.00 178.83 179.81 2qyq h GLU 16 N 0.00 0.00 0.00 0.06 5.08 -1.69 -3.30 114.58 114.73 2qyq h GLU 16 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qyq h GLU 16 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2qyq h GLU 16 CO -0.00 0.00 -0.81 0.28 -1.00 0.00 0.00 179.01 177.48 2qyq n VAL 17 N -3.35 1.30 -3.86 3.13 0.31 0.05 -5.06 118.33 110.85 2qyq n VAL 17 Ca -0.02 0.20 -0.08 0.00 -0.01 0.00 0.00 64.34 64.43 2qyq n VAL 17 Cb 0.12 -2.19 -0.01 0.00 -0.91 0.00 0.00 33.84 30.85 2qyq n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qyq s ASP 18 N -5.69 -0.19 0.60 4.52 -1.08 -0.95 -3.89 116.67 109.99 2qyq s ASP 18 Ca -0.24 -0.75 -0.19 0.00 -0.52 0.00 0.00 52.55 50.85 2qyq s ASP 18 Cb 0.03 0.75 -0.03 0.00 -1.46 0.00 0.00 42.92 42.22 2qyq s ASP 18 CO 0.35 -1.41 1.31 -1.61 0.52 0.00 0.00 175.17 174.32 2qyq s GLU 19 N -3.57 2.81 -0.07 4.34 2.02 -1.26 -3.81 118.70 119.16 2qyq s GLU 19 Ca 0.13 2.10 -0.38 0.00 0.02 0.00 0.00 54.97 56.84 2qyq s GLU 19 Cb -0.06 -2.01 -0.16 0.00 0.10 0.00 0.00 34.13 32.01 2qyq s GLU 19 CO 0.08 -1.41 1.55 0.94 0.02 0.00 0.00 175.26 176.45 2qyq n GLN 20 N -1.55 1.27 -1.17 1.61 7.27 -1.26 -4.47 117.38 119.08 2qyq n GLN 20 Ca 0.14 0.46 -0.30 0.00 0.07 0.00 0.00 57.00 57.37 2qyq n GLN 20 Cb 0.47 -2.14 0.13 0.00 2.41 0.00 0.00 30.24 31.11 2qyq n GLN 20 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 2qyq s PRO 21 N 2.00 1.51 0.21 3.69 0.02 -1.26 -4.74 135.00 136.42 2qyq s PRO 21 Ca 0.90 0.99 -0.06 0.00 0.02 0.00 0.00 61.00 62.85 2qyq s PRO 21 Cb -0.97 -1.82 0.16 0.00 0.02 0.00 0.00 34.50 31.89 2qyq s PRO 21 CO 0.54 -2.12 1.64 1.96 -0.33 0.00 0.00 177.00 178.70 2qyq h GLN 22 N -1.46 0.88 -4.43 5.54 4.20 -1.33 -3.46 115.11 115.04 2qyq h GLN 22 Ca -0.47 -0.32 -0.30 0.00 0.06 0.00 0.00 58.65 57.62 2qyq h GLN 22 Cb 1.27 -0.06 -0.25 0.00 0.30 0.00 0.00 27.48 28.74 2qyq h GLN 22 CO 0.52 0.96 -0.74 -1.01 -0.67 0.00 0.00 178.83 177.89 2qyq s HIS 23 N -4.78 0.56 0.21 2.96 3.76 -0.54 -5.01 115.29 112.46 2qyq s HIS 23 Ca -0.10 -0.30 -0.30 0.00 -0.15 0.00 0.00 55.06 54.20 2qyq s HIS 23 Cb 0.13 -0.35 -0.09 0.00 1.11 0.00 0.00 32.58 33.38 2qyq s HIS 23 CO 0.84 -0.05 1.36 -1.25 -0.85 0.00 0.00 174.74 174.79 2qyq s PRO 24 N -0.89 4.34 -0.30 8.40 0.04 -1.26 -1.76 135.00 143.58 2qyq s PRO 24 Ca -0.04 2.14 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 2qyq s PRO 24 Cb -0.06 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 2qyq s PRO 24 CO 0.00 -0.32 0.57 -1.17 0.04 0.00 0.00 177.00 176.11 2qyq s LEU 25 N -0.07 4.15 0.11 -3.56 2.96 -0.67 -4.58 118.68 117.01 2qyq s LEU 25 Ca 0.58 0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 54.57 2qyq s LEU 25 Cb -0.38 -2.72 -0.06 0.00 0.50 0.00 0.00 46.19 43.53 2qyq s LEU 25 CO 0.39 -0.41 1.01 -2.28 -1.32 0.00 0.00 176.35 173.74 2qyq s HIS 26 N 2.46 3.72 -0.10 5.38 5.65 0.05 -4.61 115.29 127.84 2qyq s HIS 26 Ca 0.23 1.70 0.00 0.00 0.25 0.00 0.00 55.06 57.24 2qyq s HIS 26 Cb -0.15 -3.14 0.02 0.00 -1.18 0.00 0.00 32.58 28.13 2qyq s HIS 26 CO 0.11 -0.11 -0.08 0.08 -0.65 0.00 0.00 174.74 174.09 2qyq s VAL 27 N 0.16 0.99 -0.12 0.89 1.01 -1.18 -1.77 120.40 120.38 2qyq s VAL 27 Ca 0.49 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 2qyq s VAL 27 Cb -0.25 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2qyq s VAL 27 CO 0.31 0.35 -0.07 -0.89 0.00 0.00 0.00 175.10 174.80 2qyq s THR 28 N 1.51 3.64 0.48 3.92 2.01 0.20 -1.05 115.64 126.36 2qyq s THR 28 Ca 0.01 -0.46 0.08 0.00 0.31 0.00 0.00 61.69 61.62 2qyq s THR 28 Cb -0.13 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.85 2qyq s THR 28 CO -0.06 0.53 0.51 -0.31 -0.69 0.00 0.00 174.62 174.61 2qyq s TYR 29 N 0.00 2.23 0.32 4.92 1.51 0.41 -0.24 117.35 126.50 2qyq s TYR 29 Ca -0.01 -0.59 0.09 0.00 -1.01 0.00 0.00 57.07 55.55 2qyq s TYR 29 Cb -0.14 -2.17 0.95 0.00 -0.11 0.00 0.00 41.96 40.49 2qyq s TYR 29 CO 0.03 -0.48 1.63 0.00 -1.11 0.00 0.00 175.55 175.62 2qyq h ALA 30 N 0.71 1.63 0.00 3.71 0.00 -1.84 -3.23 119.26 120.24 2qyq h ALA 30 Ca -0.38 0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2qyq h ALA 30 Cb 1.28 0.31 -0.24 0.00 0.00 0.00 0.00 17.79 19.14 2qyq h ALA 30 CO 0.51 -0.60 -0.80 0.41 0.00 0.00 0.00 179.25 178.77 2qyq n GLY 31 N -1.35 0.81 3.81 0.00 0.00 -1.26 -5.11 105.19 102.10 2qyq n GLY 31 Ca 0.28 -0.51 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 2qyq n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qyq s ALA 32 N 0.00 -1.38 -0.19 4.61 0.00 -1.22 -5.05 121.76 118.54 2qyq s ALA 32 Ca 0.20 -0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.77 2qyq s ALA 32 Cb 0.24 0.73 0.05 0.00 0.00 0.00 0.00 23.12 24.14 2qyq s ALA 32 CO -0.10 -1.04 0.56 0.00 0.00 0.00 0.00 175.76 175.18 2qyq s ALA 33 N -3.27 -1.38 -0.58 0.00 0.00 -1.26 -0.45 121.76 114.81 2qyq s ALA 33 Ca 0.13 1.48 -0.21 0.00 0.00 0.00 0.00 51.96 53.36 2qyq s ALA 33 Cb -0.04 -0.78 0.07 0.00 0.00 0.00 0.00 23.12 22.37 2qyq s ALA 33 CO 0.05 -0.27 0.81 0.08 0.00 0.00 0.00 175.76 176.44 2qyq s VAL 34 N 0.07 4.59 -0.01 0.00 1.01 -0.21 -4.79 120.40 121.06 2qyq s VAL 34 Ca -0.02 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2qyq s VAL 34 Cb -0.04 -4.51 0.01 0.00 0.00 0.00 0.00 36.38 31.85 2qyq s VAL 34 CO 0.02 -1.14 0.75 -0.90 0.00 0.00 0.00 175.10 173.82 2qyq n ASP 35 N 6.96 0.81 -3.83 3.32 5.68 -1.26 -3.08 116.55 125.15 2qyq n ASP 35 Ca -0.05 -1.53 -0.12 0.00 -0.50 0.00 0.00 54.79 52.60 2qyq n ASP 35 Cb 0.45 -0.04 -0.09 0.00 -1.14 0.00 0.00 41.12 40.30 2qyq n ASP 35 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 2qyq s GLU 36 N -0.49 0.59 0.03 0.11 -1.05 -1.26 -4.80 118.70 111.83 2qyq s GLU 36 Ca 0.02 -0.37 -0.30 0.00 -0.15 0.00 0.00 54.97 54.16 2qyq s GLU 36 Cb 0.01 0.25 -0.08 0.00 -0.44 0.00 0.00 34.13 33.88 2qyq s GLU 36 CO 0.00 -0.16 1.75 -1.17 0.95 0.00 0.00 175.26 176.64 2qyq s LEU 37 N -1.50 4.37 0.00 1.83 2.96 -1.26 -2.12 118.68 122.96 2qyq s LEU 37 Ca -0.13 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.28 2qyq s LEU 37 Cb -0.06 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.09 2qyq s LEU 37 CO 0.02 -0.95 0.00 0.61 -1.32 0.00 0.00 176.35 174.70 2qyq n GLY 38 N 4.20 0.62 3.66 7.98 0.00 0.46 -4.99 105.19 117.11 2qyq n GLY 38 Ca 0.17 -0.11 -0.47 0.00 0.00 0.00 0.00 46.02 45.61 2qyq n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qyq n LYS 39 N -2.74 1.99 -2.27 1.61 4.81 -0.90 -3.74 118.16 116.92 2qyq n LYS 39 Ca 0.00 0.72 -0.43 0.00 -0.87 0.00 0.00 58.31 57.73 2qyq n LYS 39 Cb 0.00 -2.47 -0.02 0.00 0.02 0.00 0.00 35.03 32.56 2qyq n LYS 39 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2qyq s VAL 40 N 0.98 3.99 0.32 3.15 1.01 -1.26 -0.80 120.40 127.79 2qyq s VAL 40 Ca 0.80 1.17 0.09 0.00 0.00 0.00 0.00 61.98 64.04 2qyq s VAL 40 Cb -0.72 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 31.74 2qyq s VAL 40 CO 0.40 -0.21 -0.09 -0.76 0.00 0.00 0.00 175.10 174.44 2qyq s LEU 41 N 4.10 2.63 0.18 3.92 1.43 -0.20 -4.95 118.68 125.80 2qyq s LEU 41 Ca 0.62 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2qyq s LEU 41 Cb -0.24 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 2qyq s LEU 41 CO 0.22 -0.24 0.36 0.42 0.23 0.00 0.00 176.35 177.34 2qyq s THR 42 N -2.76 5.24 0.28 5.49 -4.23 -1.26 -4.18 115.64 114.22 2qyq s THR 42 Ca 0.31 -0.44 0.02 0.00 -1.18 0.00 0.00 61.69 60.39 2qyq s THR 42 Cb 0.02 -3.73 0.28 0.00 1.34 0.00 0.00 72.50 70.41 2qyq s THR 42 CO 0.15 -0.14 1.81 -0.65 -0.54 0.00 0.00 174.62 175.24 2qyq h PRO 43 N 2.07 0.87 -0.44 3.99 0.11 -1.85 -1.82 132.00 134.92 2qyq h PRO 43 Ca -0.48 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.67 2qyq h PRO 43 Cb 1.19 -0.20 -0.08 0.00 0.11 0.00 0.00 31.00 32.02 2qyq h PRO 43 CO 0.68 0.57 -0.11 1.15 -0.21 0.00 0.00 178.00 180.08 2qyq h THR 44 N 0.89 0.56 -0.75 -1.15 2.02 -1.95 -1.03 112.91 111.50 2qyq h THR 44 Ca 0.50 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.78 2qyq h THR 44 Cb 0.58 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 2qyq h THR 44 CO -0.30 0.00 0.49 1.56 0.37 0.00 0.00 175.52 177.64 2qyq h GLN 45 N -0.00 0.65 -0.39 6.66 4.20 -1.74 -2.90 115.11 121.59 2qyq h GLN 45 Ca 0.21 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 2qyq h GLN 45 Cb 0.32 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2qyq h GLN 45 CO -0.45 0.43 0.01 1.33 -0.67 0.00 0.00 178.83 179.48 2qyq n VAL 46 N -4.49 2.50 0.23 -0.54 0.24 -0.93 -4.69 118.33 110.64 2qyq n VAL 46 Ca 0.12 -1.74 0.06 0.00 -2.04 0.00 0.00 64.34 60.74 2qyq n VAL 46 Cb 0.32 -0.27 0.54 0.00 -1.47 0.00 0.00 33.84 32.95 2qyq n VAL 46 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2qyq h LYS 47 N 2.54 0.00 -6.24 7.34 2.10 -0.99 -3.39 116.57 117.94 2qyq h LYS 47 Ca 0.02 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.12 2qyq h LYS 47 Cb 1.68 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.93 2qyq h LYS 47 CO 0.35 0.16 -0.61 -0.80 -2.00 0.00 0.00 179.45 176.55 2qyq s ASN 48 N -6.92 4.95 0.52 7.07 0.01 -1.26 -4.41 114.94 114.90 2qyq s ASN 48 Ca -0.04 -0.43 -0.19 0.00 -0.71 0.00 0.00 52.86 51.49 2qyq s ASN 48 Cb 0.16 -1.09 -0.11 0.00 0.41 0.00 0.00 41.25 40.62 2qyq s ASN 48 CO 0.68 0.02 0.37 0.54 -1.51 0.00 0.00 177.10 177.20 2qyq n ARG 49 N -0.73 0.39 -1.66 -0.60 1.74 -1.26 -4.92 116.66 109.63 2qyq n ARG 49 Ca -0.08 0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.75 2qyq n ARG 49 Cb 0.57 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.54 2qyq n ARG 49 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2qyq n PRO 50 N 0.45 1.58 0.22 5.56 -0.02 -1.26 -4.73 135.00 136.80 2qyq n PRO 50 Ca 0.11 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.28 2qyq n PRO 50 Cb 0.46 -2.25 0.21 0.00 -0.02 0.00 0.00 33.50 31.90 2qyq n PRO 50 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2qyq h THR 51 N 1.65 0.00 -1.86 3.45 1.35 -0.91 -3.47 112.91 113.12 2qyq h THR 51 Ca -0.47 -0.94 -0.01 0.00 -0.55 0.00 0.00 66.41 64.45 2qyq h THR 51 Cb 1.32 1.94 -0.23 0.00 -1.73 0.00 0.00 68.15 69.45 2qyq h THR 51 CO 0.58 0.00 0.25 -0.55 -0.25 0.00 0.00 175.52 175.54 2qyq s SER 52 N -6.06 -0.64 0.04 5.36 0.15 -1.16 -5.02 113.70 106.36 2qyq s SER 52 Ca 0.07 1.19 0.03 0.00 0.70 0.00 0.00 55.95 57.94 2qyq s SER 52 Cb 0.06 1.19 -0.02 0.00 -1.71 0.00 0.00 66.02 65.53 2qyq s SER 52 CO 0.66 -0.25 -0.10 0.27 1.20 0.00 0.00 173.24 175.03 2qyq s ILE 53 N 0.18 0.72 0.08 6.45 -4.36 -1.26 -0.62 121.20 122.38 2qyq s ILE 53 Ca 0.00 -0.92 -0.17 0.00 -0.26 0.00 0.00 60.65 59.30 2qyq s ILE 53 Cb -0.05 -0.71 0.04 0.00 1.25 0.00 0.00 42.46 42.99 2qyq s ILE 53 CO -0.01 -0.17 0.41 -0.94 0.24 0.00 0.00 174.94 174.47 2qyq s SER 54 N -1.21 -0.27 -0.03 4.36 1.04 -0.73 -4.84 113.70 112.03 2qyq s SER 54 Ca -0.04 -0.13 -0.20 0.00 0.48 0.00 0.00 55.95 56.06 2qyq s SER 54 Cb -0.08 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.52 2qyq s SER 54 CO 0.01 -0.74 0.43 -1.66 0.98 0.00 0.00 173.24 172.25 2qyq s TRP 55 N -3.03 -0.33 0.01 5.02 -2.14 -1.26 -0.77 118.94 116.43 2qyq s TRP 55 Ca -0.02 0.54 -0.30 0.00 2.66 0.00 0.00 56.10 58.98 2qyq s TRP 55 Cb 0.00 0.20 -0.06 0.00 -3.10 0.00 0.00 33.47 30.51 2qyq s TRP 55 CO -0.06 -0.46 1.42 -0.51 -2.66 0.00 0.00 176.95 174.67 2qyq s ASP 56 N -1.28 6.83 0.00 -2.66 1.01 -1.26 -1.88 116.67 117.43 2qyq s ASP 56 Ca -0.13 2.15 0.00 0.00 0.71 0.00 0.00 52.55 55.28 2qyq s ASP 56 Cb -0.04 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2qyq s ASP 56 CO 0.06 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.32 2qyq n GLY 57 N 3.66 0.25 3.69 0.21 0.00 -1.26 -4.91 105.19 106.83 2qyq n GLY 57 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 2qyq n GLY 57 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qyq n LEU 58 N 0.00 3.48 -4.02 0.99 7.94 -0.79 -4.95 117.00 119.65 2qyq n LEU 58 Ca 0.00 1.15 -0.31 0.00 -1.11 0.00 0.00 56.01 55.74 2qyq n LEU 58 Cb 0.00 -1.48 -0.15 0.00 0.53 0.00 0.00 43.42 42.32 2qyq n LEU 58 CO 0.00 -0.34 -0.42 -0.62 -1.11 0.00 0.00 177.39 174.90 2qyq s ASP 59 N 0.24 4.35 0.66 1.96 -1.08 -1.26 -5.01 116.67 116.54 2qyq s ASP 59 Ca 0.65 -1.50 0.39 0.00 -0.52 0.00 0.00 52.55 51.57 2qyq s ASP 59 Cb -0.60 -1.45 2.12 0.00 -1.46 0.00 0.00 42.92 41.53 2qyq s ASP 59 CO 0.51 -0.25 2.19 0.77 0.52 0.00 0.00 175.17 178.92 2qyq h SER 60 N 7.79 0.00 -0.22 -0.34 4.64 -1.94 -1.57 113.55 121.92 2qyq h SER 60 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2qyq h SER 60 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2qyq h SER 60 CO 0.46 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 2qyq n GLY 61 N -1.14 1.14 3.80 -0.77 0.00 -1.26 -4.22 105.19 102.74 2qyq n GLY 61 Ca -0.03 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 2qyq n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qyq s LYS 62 N -1.73 2.71 0.02 1.61 1.02 -0.59 -5.00 119.74 117.78 2qyq s LYS 62 Ca 0.35 -1.24 0.02 0.00 0.02 0.00 0.00 55.97 55.11 2qyq s LYS 62 Cb 0.21 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 2qyq s LYS 62 CO 0.30 0.26 0.03 -0.51 -0.92 0.00 0.00 175.35 174.51 2qyq s LEU 63 N -3.87 3.61 0.04 3.17 1.43 -1.26 -1.37 118.68 120.43 2qyq s LEU 63 Ca 0.36 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2qyq s LEU 63 Cb -0.06 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 2qyq s LEU 63 CO 0.24 0.25 -0.04 -0.31 0.23 0.00 0.00 176.35 176.72 2qyq s TYR 64 N -1.18 0.43 -0.09 0.29 1.51 0.03 -0.71 117.35 117.63 2qyq s TYR 64 Ca 0.22 -0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 55.53 2qyq s TYR 64 Cb -0.12 -0.30 -0.04 0.00 -0.11 0.00 0.00 41.96 41.40 2qyq s TYR 64 CO 0.14 -0.23 0.09 0.99 -1.11 0.00 0.00 175.55 175.43 2qyq s THR 65 N -2.32 5.03 -0.06 -0.71 2.01 -0.23 -0.88 115.64 118.47 2qyq s THR 65 Ca -0.07 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 61.93 2qyq s THR 65 Cb -0.04 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.29 2qyq s THR 65 CO -0.04 0.57 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.10 2qyq s LEU 66 N -1.12 1.74 0.00 4.42 2.96 0.11 -1.05 118.68 125.75 2qyq s LEU 66 Ca 0.16 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 2qyq s LEU 66 Cb -0.12 -0.88 -0.01 0.00 0.50 0.00 0.00 46.19 45.68 2qyq s LEU 66 CO 0.05 0.07 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.39 2qyq s VAL 67 N 0.49 0.59 -0.10 1.68 1.01 -0.38 -0.54 120.40 123.15 2qyq s VAL 67 Ca -0.12 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.44 2qyq s VAL 67 Cb -0.15 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.73 2qyq s VAL 67 CO 0.04 0.10 -0.13 -0.22 0.00 0.00 0.00 175.10 174.89 2qyq s LEU 68 N -0.37 1.57 -0.04 3.92 2.96 -0.55 -0.78 118.68 125.39 2qyq s LEU 68 Ca 0.01 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2qyq s LEU 68 Cb -0.04 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.69 2qyq s LEU 68 CO -0.00 -0.02 0.15 0.28 -1.32 0.00 0.00 176.35 175.44 2qyq s THR 69 N 1.14 0.02 -0.37 3.68 -1.32 -0.33 0.22 115.64 118.68 2qyq s THR 69 Ca -0.04 -0.19 -0.03 0.00 -1.21 0.00 0.00 61.69 60.21 2qyq s THR 69 Cb -0.14 -0.29 0.08 0.00 -1.51 0.00 0.00 72.50 70.64 2qyq s THR 69 CO -0.03 -0.10 0.14 -0.62 -2.21 0.00 0.00 174.62 171.79 2qyq s ASP 70 N -0.31 5.18 0.09 8.08 2.15 -0.11 -0.54 116.67 131.20 2qyq s ASP 70 Ca -0.04 -1.68 0.18 0.00 0.43 0.00 0.00 52.55 51.44 2qyq s ASP 70 Cb -0.03 -1.81 0.75 0.00 -0.30 0.00 0.00 42.92 41.53 2qyq s ASP 70 CO 0.01 -0.43 1.55 -0.81 -0.17 0.00 0.00 175.17 175.31 2qyq n PRO 71 N 4.64 0.07 -2.19 4.34 -0.04 -1.25 -0.76 135.00 139.81 2qyq n PRO 71 Ca -0.07 0.30 -0.31 0.00 -0.04 0.00 0.00 63.50 63.38 2qyq n PRO 71 Cb 0.42 -1.62 0.02 0.00 -0.04 0.00 0.00 33.50 32.28 2qyq n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2qyq n ASP 72 N -1.75 5.79 -4.46 3.54 8.00 -1.26 -4.33 116.55 122.08 2qyq n ASP 72 Ca 0.03 -3.76 -0.36 0.00 0.71 0.00 0.00 54.79 51.41 2qyq n ASP 72 Cb 0.19 -0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 40.50 2qyq n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qyq s ALA 73 N -3.73 3.14 -0.62 2.24 0.00 -1.26 -2.13 121.76 119.40 2qyq s ALA 73 Ca 0.51 -1.05 0.25 0.00 0.00 0.00 0.00 51.96 51.66 2qyq s ALA 73 Cb 0.42 -1.96 0.52 0.00 0.00 0.00 0.00 23.12 22.10 2qyq s ALA 73 CO -0.23 -0.32 1.55 -1.00 0.00 0.00 0.00 175.76 175.76 2qyq h PRO 74 N 7.85 0.00 -4.52 0.00 0.13 -1.89 -0.30 132.00 133.26 2qyq h PRO 74 Ca -0.37 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.54 2qyq h PRO 74 Cb 1.17 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 2qyq h PRO 74 CO 0.60 0.00 -0.63 -1.54 -0.23 0.00 0.00 178.00 176.20 2qyq s SER 75 N -4.79 0.21 0.27 1.44 1.04 -0.91 -4.54 113.70 106.43 2qyq s SER 75 Ca 0.08 -1.32 0.01 0.00 0.48 0.00 0.00 55.95 55.20 2qyq s SER 75 Cb 0.11 0.35 0.37 0.00 0.10 0.00 0.00 66.02 66.95 2qyq s SER 75 CO 0.66 -0.80 1.70 -0.09 0.98 0.00 0.00 173.24 175.70 2qyq h ARG 76 N 2.72 0.53 0.00 4.02 2.43 -1.79 -2.67 114.38 119.61 2qyq h ARG 76 Ca -0.36 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 58.54 2qyq h ARG 76 Cb 1.23 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2qyq h ARG 76 CO 0.55 0.74 -0.35 0.87 -1.51 0.00 0.00 179.97 180.27 2qyq h LYS 77 N 0.46 0.00 -2.08 0.20 1.57 -1.92 -3.36 116.57 111.44 2qyq h LYS 77 Ca 0.07 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.28 2qyq h LYS 77 Cb 0.68 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.61 2qyq h LYS 77 CO 0.05 0.35 -1.06 -3.47 -0.57 0.00 0.00 179.45 174.75 2qyq n ASP 78 N -3.44 -0.10 -3.47 0.86 2.03 -1.20 -5.04 116.55 106.20 2qyq n ASP 78 Ca 0.00 -2.60 -0.40 0.00 0.52 0.00 0.00 54.79 52.32 2qyq n ASP 78 Cb 0.52 -0.57 -0.01 0.00 -0.72 0.00 0.00 41.12 40.34 2qyq n ASP 78 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2qyq n PRO 79 N 1.87 4.10 0.19 -0.67 -0.04 -1.01 -3.74 135.00 135.70 2qyq n PRO 79 Ca 0.24 -2.97 0.03 0.00 -0.04 0.00 0.00 63.50 60.76 2qyq n PRO 79 Cb 0.52 -2.75 0.38 0.00 -0.04 0.00 0.00 33.50 31.60 2qyq n PRO 79 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2qyq h LYS 80 N 4.92 0.00 -0.53 0.54 2.10 -1.76 -2.45 116.57 119.39 2qyq h LYS 80 Ca 0.73 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.38 2qyq h LYS 80 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2qyq h LYS 80 CO 1.63 0.36 0.00 0.66 -2.00 0.00 0.00 179.45 180.10 2qyq n TYR 81 N -4.04 1.26 -1.60 0.07 4.01 -0.15 -4.95 117.16 111.77 2qyq n TYR 81 Ca -0.02 -0.65 -0.60 0.00 -0.16 0.00 0.00 57.90 56.48 2qyq n TYR 81 Cb 0.40 -0.24 -0.08 0.00 -0.31 0.00 0.00 39.34 39.12 2qyq n TYR 81 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2qyq n ARG 82 N 0.71 0.34 -3.53 -0.72 0.63 -0.92 -1.63 116.66 111.54 2qyq n ARG 82 Ca 0.23 0.12 -0.31 0.00 -0.92 0.00 0.00 57.85 56.97 2qyq n ARG 82 Cb 0.84 -1.67 -0.05 0.00 0.45 0.00 0.00 32.46 32.03 2qyq n ARG 82 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2qyq s GLU 83 N 1.13 3.69 -0.37 -0.14 2.02 0.31 -3.84 118.70 121.50 2qyq s GLU 83 Ca 0.94 0.06 -0.16 0.00 0.02 0.00 0.00 54.97 55.83 2qyq s GLU 83 Cb -1.24 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 30.25 2qyq s GLU 83 CO 0.62 0.37 0.37 -0.46 0.02 0.00 0.00 175.26 176.17 2qyq s TRP 84 N -1.78 3.20 -0.11 1.61 -0.00 0.06 -1.18 118.94 120.74 2qyq s TRP 84 Ca 0.44 -0.19 -0.18 0.00 -0.00 0.00 0.00 56.10 56.17 2qyq s TRP 84 Cb -0.12 -2.71 -0.04 0.00 -0.00 0.00 0.00 33.47 30.60 2qyq s TRP 84 CO 0.24 -0.52 0.47 -3.38 -0.00 0.00 0.00 176.95 173.76 2qyq s HIS 85 N 1.99 3.53 -0.13 5.86 -3.43 -0.39 -0.94 115.29 121.78 2qyq s HIS 85 Ca 0.11 0.89 0.18 0.00 -0.80 0.00 0.00 55.06 55.44 2qyq s HIS 85 Cb -0.17 -2.52 -0.24 0.00 -1.43 0.00 0.00 32.58 28.22 2qyq s HIS 85 CO 0.12 0.21 0.41 0.72 -2.00 0.00 0.00 174.74 174.20 2qyq n HIS 86 N 3.51 0.33 -3.64 0.38 8.25 0.13 -4.91 115.22 119.28 2qyq n HIS 86 Ca -0.08 0.11 -0.08 0.00 -0.26 0.00 0.00 57.72 57.42 2qyq n HIS 86 Cb 0.52 -0.91 -0.07 0.00 1.12 0.00 0.00 29.99 30.65 2qyq n HIS 86 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2qyq s PHE 87 N -2.88 -0.88 -0.09 4.41 5.36 -0.99 -1.65 117.98 121.25 2qyq s PHE 87 Ca -0.07 1.84 -0.03 0.00 -0.96 0.00 0.00 56.93 57.70 2qyq s PHE 87 Cb 0.09 0.50 0.05 0.00 -0.34 0.00 0.00 43.02 43.31 2qyq s PHE 87 CO 0.84 -0.43 0.15 -1.17 -1.46 0.00 0.00 175.22 173.15 2qyq s LEU 88 N 1.25 -0.04 -0.02 6.12 2.96 -0.51 -1.48 118.68 126.96 2qyq s LEU 88 Ca -0.07 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2qyq s LEU 88 Cb -0.05 0.22 0.02 0.00 0.50 0.00 0.00 46.19 46.88 2qyq s LEU 88 CO -0.14 -0.26 0.01 -0.69 -1.32 0.00 0.00 176.35 173.95 2qyq s VAL 89 N 2.28 0.10 0.32 1.68 1.01 0.30 -1.04 120.40 125.04 2qyq s VAL 89 Ca 0.04 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2qyq s VAL 89 Cb -0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 36.38 36.01 2qyq s VAL 89 CO -0.06 0.11 -0.06 0.68 0.00 0.00 0.00 175.10 175.77 2qyq s VAL 90 N 0.82 1.88 -1.48 2.92 -7.23 -0.74 0.10 120.40 116.67 2qyq s VAL 90 Ca -0.08 -2.14 -0.05 0.00 -1.81 0.00 0.00 61.98 57.90 2qyq s VAL 90 Cb -0.11 -2.61 0.02 0.00 0.56 0.00 0.00 36.38 34.25 2qyq s VAL 90 CO -0.02 -0.21 0.51 0.59 -0.31 0.00 0.00 175.10 175.66 2qyq n ASN 91 N -0.71 -5.42 -4.69 4.85 3.02 -1.14 -0.37 115.26 110.81 2qyq n ASN 91 Ca -0.05 -0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 53.81 2qyq n ASN 91 Cb 0.64 -4.41 -0.03 0.00 -0.61 0.00 0.00 39.78 35.37 2qyq n ASN 91 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2qyq s MET 92 N -5.70 4.42 -0.37 3.52 1.75 -0.05 -4.23 119.30 118.64 2qyq s MET 92 Ca 0.29 1.45 -0.28 0.00 -1.25 0.00 0.00 55.69 55.89 2qyq s MET 92 Cb -0.14 -3.54 0.02 0.00 2.84 0.00 0.00 34.83 34.01 2qyq s MET 92 CO 0.36 -0.33 1.07 0.15 -0.65 0.00 0.00 175.02 175.62 2qyq s LYS 93 N 1.99 3.94 5.92 4.11 1.02 -1.26 -0.79 119.74 134.67 2qyq s LYS 93 Ca 0.50 0.86 0.00 0.00 0.02 0.00 0.00 55.97 57.35 2qyq s LYS 93 Cb -0.20 -3.79 0.00 0.00 -0.52 0.00 0.00 37.83 33.32 2qyq s LYS 93 CO 0.19 -1.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.00 2qyq n GLY 94 N 4.21 3.09 1.26 -3.33 0.00 -0.47 -1.90 105.19 108.04 2qyq n GLY 94 Ca 0.11 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.02 2qyq n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qyq n ASN 95 N 2.35 3.67 -4.55 1.61 6.94 -1.26 -4.72 115.26 119.31 2qyq n ASN 95 Ca 0.00 -2.00 -0.41 0.00 -0.02 0.00 0.00 54.58 52.15 2qyq n ASN 95 Cb 0.00 -0.44 -0.03 0.00 -2.36 0.00 0.00 39.78 36.95 2qyq n ASN 95 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2qyq s ASP 96 N -1.05 6.43 0.25 0.53 2.15 -0.80 -4.63 116.67 119.55 2qyq s ASP 96 Ca 0.46 -1.28 -0.03 0.00 0.43 0.00 0.00 52.55 52.13 2qyq s ASP 96 Cb 0.24 -2.55 0.48 0.00 -0.30 0.00 0.00 42.92 40.79 2qyq s ASP 96 CO 0.32 -1.54 1.74 0.40 -0.17 0.00 0.00 175.17 175.91 2qyq h ILE 97 N 6.55 0.68 0.00 4.11 2.04 -1.88 -2.34 117.51 126.68 2qyq h ILE 97 Ca 0.09 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2qyq h ILE 97 Cb 1.02 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2qyq h ILE 97 CO 1.37 0.09 -0.00 0.77 0.00 0.00 0.00 178.15 180.38 2qyq h SER 98 N 0.50 0.00 1.42 1.72 4.64 -1.97 -1.81 113.55 118.05 2qyq h SER 98 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2qyq h SER 98 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2qyq h SER 98 CO -0.39 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 176.35 2qyq h SER 99 N 0.00 0.00 -4.30 4.97 4.64 -1.79 -3.47 113.55 113.61 2qyq h SER 99 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 2qyq h SER 99 Cb 0.01 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.21 2qyq h SER 99 CO 0.00 0.00 0.34 -0.83 -0.87 0.00 0.00 176.83 175.47 2qyq s GLY 100 N -3.69 1.62 -0.31 -0.77 0.00 -0.68 -4.65 107.32 98.84 2qyq s GLY 100 Ca 0.09 -0.21 -0.18 0.00 0.00 0.00 0.00 44.72 44.41 2qyq s GLY 100 CO 0.57 0.21 0.53 -1.59 0.00 0.00 0.00 173.10 172.83 2qyq s THR 101 N -3.16 5.02 -0.55 0.90 2.01 0.50 -4.94 115.64 115.41 2qyq s THR 101 Ca 0.61 0.62 -0.25 0.00 0.31 0.00 0.00 61.69 62.98 2qyq s THR 101 Cb -0.14 -3.92 0.04 0.00 0.01 0.00 0.00 72.50 68.48 2qyq s THR 101 CO 0.54 -0.10 0.97 -0.69 -0.69 0.00 0.00 174.62 174.65 2qyq s VAL 102 N 2.41 4.35 -0.03 3.82 1.01 -1.26 -1.79 120.40 128.91 2qyq s VAL 102 Ca 0.21 0.35 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 2qyq s VAL 102 Cb -0.15 -4.56 -0.32 0.00 0.00 0.00 0.00 36.38 31.34 2qyq s VAL 102 CO 0.12 -1.14 0.89 -0.07 0.00 0.00 0.00 175.10 174.90 2qyq h LEU 103 N 11.07 0.58 -7.44 3.92 3.38 -1.44 -3.44 115.31 121.93 2qyq h LEU 103 Ca -0.26 -0.94 -0.53 0.00 0.09 0.00 0.00 57.88 56.24 2qyq h LEU 103 Cb 1.07 -0.19 -0.39 0.00 0.09 0.00 0.00 40.66 41.24 2qyq h LEU 103 CO 1.10 1.52 -0.78 -0.44 0.09 0.00 0.00 178.44 179.93 2qyq s SER 104 N -7.17 2.89 0.65 -0.43 0.01 -0.95 -0.52 113.70 108.18 2qyq s SER 104 Ca -0.13 -0.76 -0.15 0.00 1.31 0.00 0.00 55.95 56.23 2qyq s SER 104 Cb 0.02 -0.76 -0.01 0.00 0.21 0.00 0.00 66.02 65.49 2qyq s SER 104 CO 0.86 -0.25 1.09 -0.62 0.41 0.00 0.00 173.24 174.73 2qyq s ASP 105 N 1.74 5.32 0.04 2.44 -1.08 -0.41 -1.43 116.67 123.29 2qyq s ASP 105 Ca -0.01 1.89 -0.30 0.00 -0.52 0.00 0.00 52.55 53.61 2qyq s ASP 105 Cb -0.16 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 38.67 2qyq s ASP 105 CO -0.07 -1.49 1.87 -0.47 0.52 0.00 0.00 175.17 175.53 2qyq s TYR 106 N -2.48 1.64 -0.15 -5.34 5.04 -1.26 -4.49 117.35 110.30 2qyq s TYR 106 Ca 0.65 -0.21 0.02 0.00 -2.44 0.00 0.00 57.07 55.08 2qyq s TYR 106 Cb -0.18 -4.16 0.01 0.00 0.35 0.00 0.00 41.96 37.99 2qyq s TYR 106 CO 0.42 -5.03 -0.20 0.08 -1.34 0.00 0.00 175.55 169.48 2qyq s VAL 107 N 3.95 2.00 1.34 3.14 1.01 -0.66 -4.75 120.40 126.43 2qyq s VAL 107 Ca 0.83 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 2qyq s VAL 107 Cb -0.41 -1.79 0.34 0.00 0.00 0.00 0.00 36.38 34.51 2qyq s VAL 107 CO 0.38 0.54 1.03 -0.83 0.00 0.00 0.00 175.10 176.21 2qyq s GLY 108 N 1.05 1.50 0.15 4.51 0.00 -1.26 -4.76 107.32 108.51 2qyq s GLY 108 Ca -0.02 -0.99 -0.31 0.00 0.00 0.00 0.00 44.72 43.41 2qyq s GLY 108 CO -0.07 0.00 1.43 -0.56 0.00 0.00 0.00 173.10 173.90 2qyq s SER 109 N -3.64 6.75 -0.39 1.64 0.01 -1.26 -4.95 113.70 111.86 2qyq s SER 109 Ca 0.71 2.44 0.12 0.00 1.31 0.00 0.00 55.95 60.53 2qyq s SER 109 Cb -0.10 -2.59 0.41 0.00 0.21 0.00 0.00 66.02 63.95 2qyq s SER 109 CO 0.56 -0.69 0.91 0.61 0.41 0.00 0.00 173.24 175.05 2qyq n GLY 110 N 3.31 3.42 3.70 3.44 0.00 -1.26 -4.73 105.19 113.07 2qyq n GLY 110 Ca 0.11 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2qyq n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qyq s PRO 111 N -3.03 4.14 0.51 1.61 0.04 -1.26 -4.94 135.00 132.07 2qyq s PRO 111 Ca 0.37 2.57 -0.23 0.00 0.04 0.00 0.00 61.00 63.75 2qyq s PRO 111 Cb 0.39 -3.36 -0.06 0.00 0.04 0.00 0.00 34.50 31.51 2qyq s PRO 111 CO -0.06 -0.78 1.38 -2.30 0.04 0.00 0.00 177.00 175.28 2qyq n PRO 112 N 4.90 1.87 -1.73 0.56 -0.02 -1.26 -4.06 135.00 135.26 2qyq n PRO 112 Ca 0.17 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 2qyq n PRO 112 Cb 0.37 -2.59 -0.01 0.00 -0.02 0.00 0.00 33.50 31.25 2qyq n PRO 112 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2qyq n LYS 113 N -0.72 2.44 -0.24 -0.52 4.81 -1.26 -2.65 118.16 120.01 2qyq n LYS 113 Ca 0.09 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 2qyq n LYS 113 Cb 0.43 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 32.92 2qyq n LYS 113 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qyq n GLY 114 N 1.51 1.17 0.89 3.14 0.00 -1.26 -4.93 105.19 105.72 2qyq n GLY 114 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 2qyq n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qyq n THR 115 N -2.00 0.13 -4.51 2.61 -2.24 -1.09 -5.08 114.28 102.11 2qyq n THR 115 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2qyq n THR 115 Cb 0.00 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 2qyq n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qyq n GLY 116 N 1.34 -0.41 3.69 3.38 0.00 -1.26 -4.52 105.19 107.41 2qyq n GLY 116 Ca 0.16 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 2qyq n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qyq s LEU 117 N 0.00 4.29 0.03 0.99 1.43 -1.26 -4.39 118.68 119.76 2qyq s LEU 117 Ca 0.00 1.77 -0.05 0.00 -1.03 0.00 0.00 54.13 54.82 2qyq s LEU 117 Cb 0.00 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 2qyq s LEU 117 CO 0.00 -0.52 0.26 -1.00 0.23 0.00 0.00 176.35 175.32 2qyq s HIS 118 N 1.93 3.56 -0.09 0.29 3.76 -0.41 -4.60 115.29 119.72 2qyq s HIS 118 Ca 0.54 0.50 -0.26 0.00 -0.15 0.00 0.00 55.06 55.70 2qyq s HIS 118 Cb -0.24 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 2qyq s HIS 118 CO 0.23 0.60 0.82 1.03 -0.85 0.00 0.00 174.74 176.56 2qyq s ARG 119 N -1.96 4.41 -0.29 1.40 0.52 -1.26 -2.14 118.95 119.63 2qyq s ARG 119 Ca 0.30 1.07 -0.06 0.00 -0.52 0.00 0.00 55.73 56.52 2qyq s ARG 119 Cb -0.13 -3.50 0.02 0.00 0.52 0.00 0.00 34.95 31.86 2qyq s ARG 119 CO 0.19 -0.12 0.06 0.71 0.02 0.00 0.00 175.30 176.16 2qyq s TYR 120 N 1.38 3.15 -0.22 -0.53 2.02 0.12 -3.84 117.35 119.43 2qyq s TYR 120 Ca 0.42 -1.14 -0.06 0.00 -0.37 0.00 0.00 57.07 55.92 2qyq s TYR 120 Cb -0.18 -2.22 -0.02 0.00 -0.40 0.00 0.00 41.96 39.14 2qyq s TYR 120 CO 0.18 -0.62 0.02 0.08 -1.57 0.00 0.00 175.55 173.64 2qyq s VAL 121 N 1.46 3.99 -0.16 0.71 1.01 0.30 -1.56 120.40 126.13 2qyq s VAL 121 Ca 0.02 -0.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 2qyq s VAL 121 Cb -0.17 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 2qyq s VAL 121 CO 0.01 0.40 0.31 0.26 0.00 0.00 0.00 175.10 176.09 2qyq s TRP 122 N 1.23 3.45 0.00 5.22 0.52 0.36 -1.18 118.94 128.55 2qyq s TRP 122 Ca 0.04 0.61 0.02 0.00 0.02 0.00 0.00 56.10 56.78 2qyq s TRP 122 Cb -0.15 -2.38 -0.01 0.00 -1.15 0.00 0.00 33.47 29.79 2qyq s TRP 122 CO 0.02 0.20 -0.05 -0.51 0.02 0.00 0.00 176.95 176.62 2qyq s LEU 123 N 0.58 2.04 -0.07 2.99 1.43 0.04 -1.56 118.68 124.13 2qyq s LEU 123 Ca 0.17 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2qyq s LEU 123 Cb -0.13 -0.25 0.01 0.00 0.03 0.00 0.00 46.19 45.85 2qyq s LEU 123 CO 0.05 0.03 -0.12 -0.69 0.23 0.00 0.00 176.35 175.84 2qyq s VAL 124 N -0.27 1.15 -0.09 -1.59 1.01 0.10 -1.25 120.40 119.45 2qyq s VAL 124 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.53 2qyq s VAL 124 Cb -0.03 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 2qyq s VAL 124 CO -0.00 0.36 -0.19 -0.31 0.00 0.00 0.00 175.10 174.96 2qyq s TYR 125 N 0.71 2.64 0.11 5.22 1.51 -0.21 -0.65 117.35 126.68 2qyq s TYR 125 Ca -0.14 -0.72 -0.30 0.00 -1.01 0.00 0.00 57.07 54.90 2qyq s TYR 125 Cb -0.16 -1.72 -0.06 0.00 -0.11 0.00 0.00 41.96 39.91 2qyq s TYR 125 CO 0.03 -0.23 1.11 -2.00 -1.11 0.00 0.00 175.55 173.36 2qyq s GLU 126 N 0.09 4.53 0.12 -0.62 2.12 -1.26 -1.07 118.70 122.61 2qyq s GLU 126 Ca -0.09 1.68 0.02 0.00 0.36 0.00 0.00 54.97 56.95 2qyq s GLU 126 Cb -0.15 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2qyq s GLU 126 CO 0.06 -0.06 0.22 -0.65 -0.54 0.00 0.00 175.26 174.29 2qyq s GLN 127 N 0.36 3.30 0.06 4.30 -0.21 0.12 -4.64 119.66 122.95 2qyq s GLN 127 Ca 0.53 -0.60 0.22 0.00 0.02 0.00 0.00 55.36 55.53 2qyq s GLN 127 Cb -0.28 -2.92 -0.19 0.00 1.00 0.00 0.00 33.01 30.62 2qyq s GLN 127 CO 0.32 0.55 0.70 -0.25 -2.12 0.00 0.00 175.29 174.48 2qyq n ASP 128 N -0.16 0.39 -3.71 5.90 8.00 -1.26 -4.51 116.55 121.21 2qyq n ASP 128 Ca -0.07 0.15 -0.06 0.00 0.71 0.00 0.00 54.79 55.52 2qyq n ASP 128 Cb 0.53 1.22 -0.02 0.00 -0.02 0.00 0.00 41.12 42.83 2qyq n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qyq s ARG 129 N -3.36 1.33 0.29 -1.24 1.70 -1.26 -5.05 118.95 111.35 2qyq s ARG 129 Ca -0.05 -0.68 -0.29 0.00 -0.47 0.00 0.00 55.73 54.24 2qyq s ARG 129 Cb 0.11 0.49 -0.13 0.00 -0.57 0.00 0.00 34.95 34.85 2qyq s ARG 129 CO 0.85 -0.60 1.30 -2.30 -1.08 0.00 0.00 175.30 173.47 2qyq n PRO 130 N -0.42 1.98 -3.37 3.89 -0.02 -1.26 -5.00 135.00 130.79 2qyq n PRO 130 Ca -0.07 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.77 2qyq n PRO 130 Cb 0.61 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 2qyq n PRO 130 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qyq s LEU 131 N -0.39 4.23 -0.34 2.45 1.43 -1.26 -5.08 118.68 119.73 2qyq s LEU 131 Ca 0.61 1.01 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 2qyq s LEU 131 Cb -0.62 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.16 2qyq s LEU 131 CO 0.57 -0.01 0.05 -1.59 0.23 0.00 0.00 176.35 175.60 2qyq s LYS 132 N -2.47 1.48 -0.01 1.70 -2.85 -1.26 -4.92 119.74 111.41 2qyq s LYS 132 Ca 0.44 -1.86 -0.11 0.00 -1.00 0.00 0.00 55.97 53.44 2qyq s LYS 132 Cb -0.13 -3.18 -0.05 0.00 -2.06 0.00 0.00 37.83 32.41 2qyq s LYS 132 CO 0.20 -0.93 0.33 0.00 0.10 0.00 0.00 175.35 175.04 2qyq n ASP 134 N 1.56 3.07 -4.77 0.00 5.75 -1.26 -4.98 116.55 115.92 2qyq n ASP 134 Ca -0.14 -1.96 -0.37 0.00 -0.01 0.00 0.00 54.79 52.32 2qyq n ASP 134 Cb 0.53 -0.31 -0.01 0.00 -1.03 0.00 0.00 41.12 40.30 2qyq n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2qyq s GLU 135 N -1.38 3.79 0.48 0.11 8.01 -1.26 -4.98 118.70 123.47 2qyq s GLU 135 Ca 0.39 1.70 -0.24 0.00 0.01 0.00 0.00 54.97 56.82 2qyq s GLU 135 Cb 0.21 -2.38 -0.07 0.00 -4.31 0.00 0.00 34.13 27.58 2qyq s GLU 135 CO 0.29 -0.50 1.38 -1.25 0.01 0.00 0.00 175.26 175.18 2qyq s PRO 136 N -2.74 3.51 -0.43 0.39 0.04 -1.26 -4.95 135.00 129.56 2qyq s PRO 136 Ca 0.64 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.69 2qyq s PRO 136 Cb -0.26 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 31.79 2qyq s PRO 136 CO 0.32 -0.91 1.10 0.42 0.04 0.00 0.00 177.00 177.97 2qyq s ILE 137 N -1.26 4.31 -0.19 0.56 -1.09 -1.26 -4.79 121.20 117.49 2qyq s ILE 137 Ca 0.65 1.33 -0.12 0.00 -2.23 0.00 0.00 60.65 60.28 2qyq s ILE 137 Cb -0.41 -4.54 -0.05 0.00 -1.58 0.00 0.00 42.46 35.88 2qyq s ILE 137 CO 0.51 -0.85 0.22 -0.76 -1.23 0.00 0.00 174.94 172.84 2qyq s LEU 138 N 4.18 4.21 0.79 2.97 1.43 0.32 -5.02 118.68 127.56 2qyq s LEU 138 Ca 0.46 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 2qyq s LEU 138 Cb -0.09 -2.24 0.08 0.00 0.03 0.00 0.00 46.19 43.97 2qyq s LEU 138 CO 0.27 0.12 1.14 -0.94 0.23 0.00 0.00 176.35 177.17 2qyq s SER 139 N 0.50 4.55 -0.10 2.29 1.04 -1.26 -1.28 113.70 119.44 2qyq s SER 139 Ca 0.12 0.69 0.15 0.00 0.48 0.00 0.00 55.95 57.39 2qyq s SER 139 Cb -0.12 -1.21 0.59 0.00 0.10 0.00 0.00 66.02 65.38 2qyq s SER 139 CO 0.02 -1.85 1.47 -0.46 0.98 0.00 0.00 173.24 173.40 2qyq n ASN 140 N -3.23 4.01 -1.39 7.02 0.23 -1.26 -4.02 115.26 116.62 2qyq n ASN 140 Ca 0.08 -2.38 0.09 0.00 -0.53 0.00 0.00 54.58 51.84 2qyq n ASN 140 Cb 0.61 -0.53 0.31 0.00 -2.08 0.00 0.00 39.78 38.10 2qyq n ASN 140 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2qyq n ARG 141 N 0.87 3.21 -3.48 -3.83 1.74 -1.26 -4.55 116.66 109.37 2qyq n ARG 141 Ca 0.21 -2.50 -0.15 0.00 -0.77 0.00 0.00 57.85 54.64 2qyq n ARG 141 Cb 0.76 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 2qyq n ARG 141 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qyq s SER 142 N -0.88 -0.62 0.00 0.55 0.15 -1.25 -3.60 113.70 108.04 2qyq s SER 142 Ca 0.45 0.40 0.24 0.00 0.70 0.00 0.00 55.95 57.74 2qyq s SER 142 Cb 0.28 0.57 0.30 0.00 -1.71 0.00 0.00 66.02 65.45 2qyq s SER 142 CO 0.24 -0.77 1.28 0.61 1.20 0.00 0.00 173.24 175.80 2qyq n GLY 143 N 0.33 -0.40 3.67 9.45 0.00 -1.25 -4.87 105.19 112.13 2qyq n GLY 143 Ca -0.18 -0.53 -0.45 0.00 0.00 0.00 0.00 46.02 44.86 2qyq n GLY 143 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qyq n ASP 144 N -0.51 2.75 -0.49 1.61 9.92 -1.26 -2.74 116.55 125.83 2qyq n ASP 144 Ca 0.10 1.14 -0.06 0.00 -0.53 0.00 0.00 54.79 55.44 2qyq n ASP 144 Cb 0.40 -1.43 -0.03 0.00 -0.64 0.00 0.00 41.12 39.42 2qyq n ASP 144 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2qyq n HIS 145 N 1.86 0.00 -0.04 1.24 8.25 -1.26 -4.87 115.22 120.40 2qyq n HIS 145 Ca 0.11 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.43 2qyq n HIS 145 Cb 0.32 -1.67 -0.14 0.00 1.12 0.00 0.00 29.99 29.61 2qyq n HIS 145 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qyq n ARG 146 N -1.84 0.69 -1.81 -0.41 5.12 -1.11 -4.90 116.66 112.39 2qyq n ARG 146 Ca -0.06 0.22 -0.31 0.00 -1.93 0.00 0.00 57.85 55.77 2qyq n ARG 146 Cb 0.33 -1.69 0.03 0.00 -1.16 0.00 0.00 32.46 29.97 2qyq n ARG 146 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2qyq s GLY 147 N -5.53 1.65 -1.62 -0.13 0.00 -1.26 -1.27 107.32 99.17 2qyq s GLY 147 Ca -0.16 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2qyq s GLY 147 CO 0.78 0.18 0.00 0.28 0.00 0.00 0.00 173.10 174.34 2qyq n LYS 148 N -2.89 -1.22 -2.47 2.90 4.76 -0.44 -4.90 118.16 113.89 2qyq n LYS 148 Ca 0.06 0.97 -0.36 0.00 -2.87 0.00 0.00 58.31 56.11 2qyq n LYS 148 Cb 0.55 -5.26 -0.03 0.00 -1.84 0.00 0.00 35.03 28.44 2qyq n LYS 148 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2qyq s PHE 149 N -2.71 3.15 -0.29 2.13 5.36 -0.33 -4.66 117.98 120.64 2qyq s PHE 149 Ca 0.00 1.61 -0.01 0.00 -0.96 0.00 0.00 56.93 57.56 2qyq s PHE 149 Cb 0.00 -3.19 0.09 0.00 -0.34 0.00 0.00 43.02 39.58 2qyq s PHE 149 CO 0.00 -0.87 0.09 0.15 -1.46 0.00 0.00 175.22 173.13 2qyq s LYS 150 N -2.59 0.65 0.41 10.12 -0.14 -1.26 -0.53 119.74 126.41 2qyq s LYS 150 Ca 0.60 -0.90 0.10 0.00 -1.36 0.00 0.00 55.97 54.41 2qyq s LYS 150 Cb -0.23 -1.91 0.92 0.00 -1.68 0.00 0.00 37.83 34.93 2qyq s LYS 150 CO 0.29 -0.93 2.01 -0.24 -0.76 0.00 0.00 175.35 175.72 2qyq h VAL 151 N 6.49 1.00 -0.45 3.17 3.04 -1.97 0.39 116.25 127.91 2qyq h VAL 151 Ca -0.15 -0.18 -0.04 0.00 -1.01 0.00 0.00 66.70 65.32 2qyq h VAL 151 Cb 1.03 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 30.72 2qyq h VAL 151 CO 0.45 0.09 0.12 0.00 -1.01 0.00 0.00 177.57 177.22 2qyq h ALA 152 N 1.70 1.36 -0.33 3.17 0.00 -1.96 -1.39 119.26 121.82 2qyq h ALA 152 Ca 0.23 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2qyq h ALA 152 Cb 0.25 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qyq h ALA 152 CO -0.06 0.46 -0.38 0.77 0.00 0.00 0.00 179.25 180.04 2qyq h SER 153 N 0.65 0.90 0.03 0.00 0.02 -1.34 -2.03 113.55 111.78 2qyq h SER 153 Ca 0.15 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2qyq h SER 153 Cb 0.24 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2qyq h SER 153 CO -0.00 1.20 -0.02 0.15 -1.14 0.00 0.00 176.83 177.02 2qyq h PHE 154 N 0.61 -0.04 -0.38 3.45 3.57 -0.96 0.70 116.94 123.89 2qyq h PHE 154 Ca 0.05 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 2qyq h PHE 154 Cb 0.97 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2qyq h PHE 154 CO 0.07 0.14 -0.29 0.07 -2.23 0.00 0.00 178.31 176.07 2qyq h ARG 155 N -0.22 0.87 -0.57 1.11 -0.00 -1.31 -2.64 114.38 111.63 2qyq h ARG 155 Ca -0.00 -0.43 -0.03 0.00 -0.00 0.00 0.00 59.98 59.52 2qyq h ARG 155 Cb 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.15 2qyq h ARG 155 CO 0.01 1.07 0.23 0.87 -0.00 0.00 0.00 179.97 182.15 2qyq h LYS 156 N 0.67 0.82 -0.95 0.08 1.57 -1.35 -0.74 116.57 116.67 2qyq h LYS 156 Ca 0.07 -0.12 0.17 0.00 -1.87 0.00 0.00 60.65 58.90 2qyq h LYS 156 Cb 0.87 -0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.93 2qyq h LYS 156 CO 0.08 0.67 0.54 -0.22 -0.57 0.00 0.00 179.45 179.95 2qyq h LYS 157 N 0.81 0.69 -0.65 3.15 3.64 -0.51 -1.41 116.57 122.29 2qyq h LYS 157 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2qyq h LYS 157 Cb 0.15 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2qyq h LYS 157 CO -0.02 0.46 0.00 0.66 -2.27 0.00 0.00 179.45 178.28 2qyq n TYR 158 N -4.81 1.37 -3.28 1.91 4.01 -0.87 -4.94 117.16 110.56 2qyq n TYR 158 Ca 0.21 -0.50 -0.24 0.00 -0.16 0.00 0.00 57.90 57.21 2qyq n TYR 158 Cb 0.52 -0.31 0.04 0.00 -0.31 0.00 0.00 39.34 39.28 2qyq n TYR 158 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2qyq n GLU 159 N 0.64 -5.63 -3.45 -0.72 1.02 -0.53 -4.99 120.64 106.98 2qyq n GLU 159 Ca 0.20 0.82 -0.34 0.00 -0.02 0.00 0.00 57.16 57.82 2qyq n GLU 159 Cb 0.85 -5.73 -0.06 0.00 -0.02 0.00 0.00 31.44 26.48 2qyq n GLU 159 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qyq s LEU 160 N -6.89 4.31 0.00 -4.62 1.43 -0.34 -5.00 118.68 107.57 2qyq s LEU 160 Ca 0.42 0.94 -0.06 0.00 -1.03 0.00 0.00 54.13 54.40 2qyq s LEU 160 Cb -0.19 -3.26 0.13 0.00 0.03 0.00 0.00 46.19 42.90 2qyq s LEU 160 CO 0.52 0.09 0.83 0.54 0.23 0.00 0.00 176.35 178.56 2qyq n ARG 161 N 0.64 -0.45 -1.33 1.70 1.74 -1.26 -4.35 116.66 113.35 2qyq n ARG 161 Ca -0.05 -1.67 -0.35 0.00 -0.77 0.00 0.00 57.85 55.01 2qyq n ARG 161 Cb 0.52 -0.74 0.10 0.00 -1.02 0.00 0.00 32.46 31.32 2qyq n ARG 161 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qyq n ALA 162 N -3.30 0.02 -1.74 7.54 0.00 -1.26 -4.83 120.51 116.94 2qyq n ALA 162 Ca -0.14 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 2qyq n ALA 162 Cb 0.41 -2.19 -0.00 0.00 0.00 0.00 0.00 19.45 17.67 2qyq n ALA 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qyq n PRO 163 N -2.32 2.41 0.15 0.00 -0.04 -1.26 -4.79 135.00 129.15 2qyq n PRO 163 Ca 0.14 0.84 0.03 0.00 -0.04 0.00 0.00 63.50 64.47 2qyq n PRO 163 Cb 0.50 -2.50 0.10 0.00 -0.04 0.00 0.00 33.50 31.55 2qyq n PRO 163 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2qyq h VAL 164 N 2.74 0.90 -3.22 0.52 3.04 -1.20 -2.12 116.25 116.91 2qyq h VAL 164 Ca -0.48 -2.10 -0.06 0.00 -1.01 0.00 0.00 66.70 63.04 2qyq h VAL 164 Cb 1.26 2.32 -0.15 0.00 -2.01 0.00 0.00 31.29 32.72 2qyq h VAL 164 CO 0.63 0.48 -0.10 0.00 -1.01 0.00 0.00 177.57 177.58 2qyq s ALA 165 N -3.10 -0.95 0.00 3.17 0.00 -1.15 -1.46 121.76 118.26 2qyq s ALA 165 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2qyq s ALA 165 Cb 0.08 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.72 2qyq s ALA 165 CO 0.73 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.35 2qyq n GLY 166 N 0.14 0.36 3.25 0.00 0.00 -0.72 -0.72 105.19 107.49 2qyq n GLY 166 Ca -0.17 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.87 2qyq n GLY 166 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qyq n THR 167 N -0.25 0.00 -3.76 2.61 5.66 -0.60 -1.67 114.28 116.27 2qyq n THR 167 Ca 0.00 -0.63 -0.13 0.00 -3.05 0.00 0.00 64.05 60.24 2qyq n THR 167 Cb 0.00 0.73 -0.13 0.00 -1.55 0.00 0.00 70.33 69.38 2qyq n THR 167 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qyq s TYR 169 N 0.87 2.42 0.13 0.00 1.13 -0.60 -0.40 117.35 120.89 2qyq s TYR 169 Ca -0.06 -0.30 0.07 0.00 -1.41 0.00 0.00 57.07 55.36 2qyq s TYR 169 Cb -0.08 -1.14 -0.04 0.00 -1.10 0.00 0.00 41.96 39.60 2qyq s TYR 169 CO -0.05 0.57 -0.07 -0.65 -2.51 0.00 0.00 175.55 172.85 2qyq s GLN 170 N -3.03 2.23 -0.11 -3.49 -0.21 0.02 0.14 119.66 115.21 2qyq s GLN 170 Ca 0.25 -1.05 -0.18 0.00 0.02 0.00 0.00 55.36 54.41 2qyq s GLN 170 Cb -0.07 -2.33 0.04 0.00 1.00 0.00 0.00 33.01 31.65 2qyq s GLN 170 CO 0.14 0.49 0.44 0.00 -2.12 0.00 0.00 175.29 174.24 2qyq s ALA 171 N -1.40 -1.11 0.47 6.09 0.00 -0.91 -1.04 121.76 123.88 2qyq s ALA 171 Ca 0.24 0.99 0.03 0.00 0.00 0.00 0.00 51.96 53.22 2qyq s ALA 171 Cb -0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2qyq s ALA 171 CO 0.16 -0.25 0.01 -1.83 0.00 0.00 0.00 175.76 173.84 2qyq s GLU 172 N -0.44 2.10 0.32 0.00 -1.05 -1.26 -1.29 118.70 117.08 2qyq s GLU 172 Ca -0.06 -2.29 -0.28 0.00 -0.15 0.00 0.00 54.97 52.19 2qyq s GLU 172 Cb -0.03 -1.55 -0.13 0.00 -0.44 0.00 0.00 34.13 31.98 2qyq s GLU 172 CO 0.03 -0.25 1.28 1.87 0.95 0.00 0.00 175.26 179.14 2qyq n TRP 173 N -1.15 2.16 -4.08 4.83 -0.00 -1.26 -4.35 117.44 113.60 2qyq n TRP 173 Ca -0.14 0.55 -0.05 0.00 -0.00 0.00 0.00 57.50 57.86 2qyq n TRP 173 Cb 0.67 -2.40 -0.02 0.00 -0.00 0.00 0.00 31.31 29.55 2qyq n TRP 173 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2qyq n ASP 174 N 1.03 -0.19 0.00 5.87 5.68 -1.26 -4.95 116.55 122.74 2qyq n ASP 174 Ca 0.06 -1.59 0.15 0.00 -0.50 0.00 0.00 54.79 52.91 2qyq n ASP 174 Cb 0.35 0.45 0.76 0.00 -1.14 0.00 0.00 41.12 41.54 2qyq n ASP 174 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2qyq n ASP 175 N -2.65 0.00 0.15 -1.12 5.75 -1.26 -1.41 116.55 116.01 2qyq n ASP 175 Ca 0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 2qyq n ASP 175 Cb 0.16 -0.25 0.20 0.00 -1.03 0.00 0.00 41.12 40.21 2qyq n ASP 175 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2qyq h TYR 176 N 0.00 0.00 -0.89 2.11 3.20 -1.97 -3.38 116.97 116.04 2qyq h TYR 176 Ca 0.00 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 2qyq h TYR 176 Cb 0.24 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 2qyq h TYR 176 CO 0.00 0.57 0.58 0.28 -1.64 0.00 0.00 178.16 177.94 2qyq h VAL 177 N 0.00 1.14 -0.80 1.81 2.07 -1.57 -1.17 116.25 117.73 2qyq h VAL 177 Ca -0.01 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.19 2qyq h VAL 177 Cb 1.08 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2qyq h VAL 177 CO 0.07 0.20 0.53 -0.65 0.02 0.00 0.00 177.57 177.74 2qyq h PRO 178 N 1.12 0.87 -0.39 1.57 0.11 -1.76 -1.11 132.00 132.40 2qyq h PRO 178 Ca 0.36 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.36 2qyq h PRO 178 Cb 0.01 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.91 2qyq h PRO 178 CO -0.12 0.57 0.01 0.87 -0.21 0.00 0.00 178.00 179.12 2qyq h LYS 179 N 0.89 0.62 -0.21 1.05 6.56 -1.47 -1.92 116.57 122.10 2qyq h LYS 179 Ca 0.34 -0.14 -0.04 0.00 -1.06 0.00 0.00 60.65 59.75 2qyq h LYS 179 Cb 0.20 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 2qyq h LYS 179 CO -0.12 0.64 -0.01 1.25 -2.06 0.00 0.00 179.45 179.15 2qyq h LEU 180 N 0.59 0.37 -1.02 2.94 5.85 -0.71 -1.97 115.31 121.37 2qyq h LEU 180 Ca 0.12 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2qyq h LEU 180 Cb 0.36 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2qyq h LEU 180 CO 0.01 0.60 0.61 1.88 -0.34 0.00 0.00 178.44 181.20 2qyq h TYR 181 N 0.13 1.23 -0.79 1.25 0.05 -1.08 -1.35 116.97 116.40 2qyq h TYR 181 Ca 0.06 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.89 2qyq h TYR 181 Cb 0.41 -0.41 -0.05 0.00 1.01 0.00 0.00 36.73 37.69 2qyq h TYR 181 CO 0.04 0.79 0.51 0.93 -1.05 0.00 0.00 178.16 179.37 2qyq h GLU 182 N 1.31 0.96 -0.82 4.88 5.08 -1.31 -2.56 114.58 122.12 2qyq h GLU 182 Ca 0.35 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.71 2qyq h GLU 182 Cb -0.12 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 28.86 2qyq h GLU 182 CO -0.07 0.63 0.50 0.37 -1.00 0.00 0.00 179.01 179.44 2qyq h GLN 183 N 0.99 0.89 0.00 2.33 4.15 -0.48 -2.97 115.11 120.02 2qyq h GLN 183 Ca 0.32 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.68 2qyq h GLN 183 Cb 0.01 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.50 2qyq h GLN 183 CO -0.11 0.59 0.00 1.28 -1.93 0.00 0.00 178.83 178.65 2qyq n LEU 184 N -4.65 0.51 -2.04 -2.39 4.77 -0.66 -3.57 117.00 108.97 2qyq n LEU 184 Ca 0.12 0.58 -0.13 0.00 -0.03 0.00 0.00 56.01 56.54 2qyq n LEU 184 Cb 0.17 -0.45 0.23 0.00 -2.33 0.00 0.00 43.42 41.05 2qyq n LEU 184 CO 0.31 -0.26 1.11 -1.54 -1.33 0.00 0.00 177.39 175.68 2qyq n SER 185 N -2.01 4.24 0.00 -1.43 3.41 -1.00 -3.74 113.62 113.09 2qyq n SER 185 Ca 0.05 -3.30 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 2qyq n SER 185 Cb 0.33 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2qyq n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49