#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrq s SER 2 N 0.00 5.04 -0.08 1.61 0.01 -1.26 -5.10 113.70 113.92 2yrq s SER 2 Ca 0.00 0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.32 2yrq s SER 2 Cb 0.00 -1.43 0.03 0.00 0.21 0.00 0.00 66.02 64.83 2yrq s SER 2 CO 0.00 0.35 -0.01 -0.44 0.41 0.00 0.00 173.24 173.55 2yrq s SER 3 N -0.72 1.74 -0.03 2.44 0.01 -1.26 -5.14 113.70 110.74 2yrq s SER 3 Ca 0.11 -0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.28 2yrq s SER 3 Cb -0.11 -0.51 -0.01 0.00 0.21 0.00 0.00 66.02 65.59 2yrq s SER 3 CO 0.02 -0.19 -0.21 -0.83 0.41 0.00 0.00 173.24 172.44 2yrq s GLY 4 N 1.93 1.05 -0.22 3.44 0.00 -1.26 -5.04 107.32 107.22 2yrq s GLY 4 Ca 0.05 -0.90 -0.16 0.00 0.00 0.00 0.00 44.72 43.71 2yrq s GLY 4 CO -0.06 -0.68 -0.18 1.44 0.00 0.00 0.00 173.10 173.62 2yrq n SER 5 N 2.70 1.90 -4.48 1.64 7.64 -1.26 -4.91 113.62 116.85 2yrq n SER 5 Ca -0.16 0.41 -0.58 0.00 1.01 0.00 0.00 58.87 59.55 2yrq n SER 5 Cb 0.53 -0.85 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 2yrq n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yrq n SER 6 N -4.40 1.55 -4.04 6.43 2.88 -1.26 -4.92 113.62 109.86 2yrq n SER 6 Ca -0.32 0.78 -0.18 0.00 -1.33 0.00 0.00 58.87 57.82 2yrq n SER 6 Cb 0.65 -1.04 -0.14 0.00 -0.75 0.00 0.00 64.21 62.92 2yrq n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yrq s GLY 7 N 5.32 0.48 -0.39 0.46 0.00 -1.26 -5.04 107.32 106.89 2yrq s GLY 7 Ca 1.10 -0.47 0.05 0.00 0.00 0.00 0.00 44.72 45.40 2yrq s GLY 7 CO 0.64 -0.42 1.34 1.15 0.00 0.00 0.00 173.10 175.81 2yrq n MET 8 N 2.62 3.42 -3.08 2.90 0.00 -1.26 -4.97 117.12 116.75 2yrq n MET 8 Ca -0.15 -4.06 -0.05 0.00 0.00 0.00 0.00 57.70 53.44 2yrq n MET 8 Cb 0.56 -2.28 0.00 0.00 0.00 0.00 0.00 33.22 31.51 2yrq n MET 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2yrq n GLY 9 N -0.70 -1.23 3.84 3.17 0.00 -1.26 -4.98 105.19 104.03 2yrq n GLY 9 Ca 0.46 0.69 -0.32 0.00 0.00 0.00 0.00 46.02 46.85 2yrq n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yrq s LYS 10 N -3.05 3.70 0.00 1.61 2.47 -1.26 -4.89 119.74 118.32 2yrq s LYS 10 Ca 0.07 0.98 0.00 0.00 -1.56 0.00 0.00 55.97 55.46 2yrq s LYS 10 Cb -0.02 -2.10 0.00 0.00 -1.46 0.00 0.00 37.83 34.26 2yrq s LYS 10 CO 0.77 -0.48 0.00 0.41 0.16 0.00 0.00 175.35 176.21 2yrq n GLY 11 N -1.63 1.01 3.85 5.54 0.00 -1.26 -4.49 105.19 108.21 2yrq n GLY 11 Ca 0.07 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 2yrq n GLY 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yrq s ASP 12 N -3.99 6.74 0.00 1.61 1.01 -1.26 -4.97 116.67 115.82 2yrq s ASP 12 Ca 0.00 0.91 0.14 0.00 0.71 0.00 0.00 52.55 54.32 2yrq s ASP 12 Cb 0.00 -2.23 0.67 0.00 1.01 0.00 0.00 42.92 42.37 2yrq s ASP 12 CO 0.00 0.23 1.43 -0.81 0.21 0.00 0.00 175.17 176.23 2yrq n PRO 13 N 1.28 0.10 -0.30 8.23 -0.04 -1.26 -3.67 135.00 139.33 2yrq n PRO 13 Ca -0.10 0.21 0.05 0.00 -0.04 0.00 0.00 63.50 63.61 2yrq n PRO 13 Cb 0.52 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.62 2yrq n PRO 13 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2yrq h LYS 14 N 0.00 0.01 -6.18 0.54 1.79 -1.95 -3.39 116.57 107.40 2yrq h LYS 14 Ca 0.00 -0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 2yrq h LYS 14 Cb 0.19 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2yrq h LYS 14 CO 0.00 0.01 1.22 1.17 -1.08 0.00 0.00 179.45 180.77 2yrq n LYS 15 N -5.52 1.99 0.00 3.15 4.81 -1.24 -4.80 118.16 116.54 2yrq n LYS 15 Ca 0.14 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 2yrq n LYS 15 Cb 0.47 -2.72 0.03 0.00 0.02 0.00 0.00 35.03 32.83 2yrq n LYS 15 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2yrq n PRO 16 N 7.30 0.49 -0.93 1.64 -0.04 -1.26 -4.89 135.00 137.30 2yrq n PRO 16 Ca 0.27 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.38 2yrq n PRO 16 Cb 0.31 -1.03 -0.04 0.00 -0.04 0.00 0.00 33.50 32.70 2yrq n PRO 16 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2yrq n ARG 17 N -0.53 0.00 0.00 0.54 1.85 -1.26 -4.69 116.66 112.57 2yrq n ARG 17 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2yrq n ARG 17 Cb 0.00 -0.83 0.00 0.00 -1.05 0.00 0.00 32.46 30.58 2yrq n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2yrq n GLY 18 N 1.08 0.07 3.40 2.89 0.00 -1.26 -5.15 105.19 106.22 2yrq n GLY 18 Ca 0.12 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2yrq n GLY 18 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2yrq n LYS 19 N -0.64 0.16 -4.52 1.61 2.85 -1.26 -5.01 118.16 111.34 2yrq n LYS 19 Ca 0.00 0.09 -0.25 0.00 -1.05 0.00 0.00 58.31 57.10 2yrq n LYS 19 Cb 0.00 -1.68 -0.10 0.00 -0.65 0.00 0.00 35.03 32.59 2yrq n LYS 19 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2yrq s MET 20 N -2.66 1.78 0.58 -1.58 -1.94 -1.26 -5.06 119.30 109.15 2yrq s MET 20 Ca 0.61 -1.89 0.09 0.00 -1.71 0.00 0.00 55.69 52.79 2yrq s MET 20 Cb -0.33 -1.71 0.08 0.00 2.01 0.00 0.00 34.83 34.89 2yrq s MET 20 CO 0.62 0.19 0.75 -1.54 -0.01 0.00 0.00 175.02 175.03 2yrq s SER 21 N -3.58 5.02 0.16 3.03 1.04 -1.26 -4.68 113.70 113.44 2yrq s SER 21 Ca 0.32 -0.91 -0.23 0.00 0.48 0.00 0.00 55.95 55.61 2yrq s SER 21 Cb 0.00 0.35 0.06 0.00 0.10 0.00 0.00 66.02 66.53 2yrq s SER 21 CO 0.16 -1.33 1.60 0.77 0.98 0.00 0.00 173.24 175.42 2yrq h SER 22 N 0.24 -1.00 0.70 7.02 4.64 -1.92 -0.43 113.55 122.79 2yrq h SER 22 Ca -0.30 0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 2yrq h SER 22 Cb 1.29 0.47 0.01 0.00 -0.31 0.00 0.00 62.40 63.86 2yrq h SER 22 CO 0.43 -0.31 -0.34 0.22 -0.87 0.00 0.00 176.83 175.96 2yrq h TYR 23 N -0.25 -0.87 -1.04 4.77 3.20 -1.95 0.21 116.97 121.03 2yrq h TYR 23 Ca 0.17 -0.02 0.42 0.00 3.14 0.00 0.00 58.73 62.44 2yrq h TYR 23 Cb 0.52 0.29 -0.16 0.00 1.54 0.00 0.00 36.73 38.92 2yrq h TYR 23 CO -0.51 -0.54 0.59 0.00 -1.64 0.00 0.00 178.16 176.06 2yrq n ALA 24 N -2.55 1.06 -0.04 1.82 0.00 -1.10 -0.67 120.51 119.04 2yrq n ALA 24 Ca -0.12 0.95 -0.06 0.00 0.00 0.00 0.00 53.44 54.22 2yrq n ALA 24 Cb 0.37 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 2yrq n ALA 24 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2yrq h PHE 25 N 0.00 -0.04 -1.38 0.00 0.04 -0.90 -3.27 116.94 111.39 2yrq h PHE 25 Ca 0.83 -0.00 0.40 0.00 2.80 0.00 0.00 57.97 62.00 2yrq h PHE 25 Cb 2.29 0.01 -0.06 0.00 2.20 0.00 0.00 35.95 40.40 2yrq h PHE 25 CO -0.01 0.31 1.03 0.35 -0.60 0.00 0.00 178.31 179.40 2yrq h PHE 26 N -0.99 0.00 -0.16 -0.55 3.57 0.16 1.23 116.94 120.20 2yrq h PHE 26 Ca -0.00 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 2yrq h PHE 26 Cb 0.37 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2yrq h PHE 26 CO 0.09 0.00 -0.56 0.28 -2.23 0.00 0.00 178.31 175.89 2yrq h VAL 27 N 0.00 1.33 0.00 1.41 2.07 -0.97 -2.13 116.25 117.96 2yrq h VAL 27 Ca 0.66 -1.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 2yrq h VAL 27 Cb 2.71 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 34.28 2yrq h VAL 27 CO -0.01 0.56 -1.14 -0.61 0.02 0.00 0.00 177.57 176.40 2yrq h GLN 28 N 0.38 0.00 -0.09 1.57 4.15 0.12 -3.18 115.11 118.06 2yrq h GLN 28 Ca 0.00 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.21 2yrq h GLN 28 Cb 1.10 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.80 2yrq h GLN 28 CO 0.10 0.18 -0.79 1.15 -1.93 0.00 0.00 178.83 177.54 2yrq h THR 29 N 0.00 1.30 0.15 2.39 2.02 -0.19 -3.14 112.91 115.44 2yrq h THR 29 Ca -0.08 -2.02 -0.01 0.00 0.77 0.00 0.00 66.41 65.07 2yrq h THR 29 Cb 1.32 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 2yrq h THR 29 CO 0.03 0.63 -0.07 0.00 0.37 0.00 0.00 175.52 176.47 2yrq h ARG 31 N -0.80 0.26 -0.03 0.00 0.11 -1.67 0.21 114.38 112.46 2yrq h ARG 31 Ca -0.02 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.04 2yrq h ARG 31 Cb 0.53 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.55 2yrq h ARG 31 CO 0.03 0.17 0.00 0.93 0.10 0.00 0.00 179.97 181.21 2yrq h GLU 32 N 0.27 0.05 -0.97 0.08 5.08 -1.56 -2.92 114.58 114.61 2yrq h GLU 32 Ca 0.72 -0.02 0.22 0.00 -1.00 0.00 0.00 59.36 59.28 2yrq h GLU 32 Cb 1.64 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.80 2yrq h GLU 32 CO -0.64 0.33 0.62 0.93 -1.00 0.00 0.00 179.01 179.25 2yrq h GLU 33 N -0.23 0.47 0.23 2.33 5.08 -0.44 -2.64 114.58 119.39 2yrq h GLU 33 Ca 0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2yrq h GLU 33 Cb 0.30 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2yrq h GLU 33 CO 0.00 0.31 -0.11 1.25 -1.00 0.00 0.00 179.01 179.46 2yrq h HIS 34 N 0.48 -0.29 -1.64 4.33 2.76 -1.16 -1.67 115.15 117.96 2yrq h HIS 34 Ca 0.53 -0.01 0.48 0.00 -2.20 0.00 0.00 60.37 59.17 2yrq h HIS 34 Cb 1.21 0.10 -0.07 0.00 1.55 0.00 0.00 27.41 30.20 2yrq h HIS 34 CO -0.00 -0.18 1.21 1.63 -1.30 0.00 0.00 177.93 179.28 2yrq n LYS 35 N -2.88 0.00 0.03 5.26 4.01 -1.01 0.23 118.16 123.81 2yrq n LYS 35 Ca -0.04 0.92 -0.19 0.00 -0.51 0.00 0.00 58.31 58.49 2yrq n LYS 35 Cb 0.12 -2.14 -0.14 0.00 -0.51 0.00 0.00 35.03 32.37 2yrq n LYS 35 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2yrq h LYS 36 N 0.00 0.31 -0.22 1.97 1.79 -1.33 -3.01 116.57 116.08 2yrq h LYS 36 Ca 0.78 -0.47 -0.07 0.00 -2.18 0.00 0.00 60.65 58.71 2yrq h LYS 36 Cb 3.19 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 34.00 2yrq h LYS 36 CO -0.01 1.20 -0.13 0.87 -1.08 0.00 0.00 179.45 180.30 2yrq h LYS 37 N -0.34 0.49 -3.05 3.15 1.79 0.39 -3.40 116.57 115.60 2yrq h LYS 37 Ca -0.12 -0.22 -0.59 0.00 -2.18 0.00 0.00 60.65 57.54 2yrq h LYS 37 Cb 1.53 -0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 31.78 2yrq h LYS 37 CO 0.14 0.77 -0.77 -1.01 -1.08 0.00 0.00 179.45 177.50 2yrq s HIS 38 N -4.53 1.51 -0.01 -1.35 3.76 0.69 -5.00 115.29 110.36 2yrq s HIS 38 Ca -0.13 -1.94 -0.25 0.00 -0.15 0.00 0.00 55.06 52.58 2yrq s HIS 38 Cb 0.07 -1.55 -0.19 0.00 1.11 0.00 0.00 32.58 32.01 2yrq s HIS 38 CO 0.77 -0.82 1.28 -1.00 -0.85 0.00 0.00 174.74 174.12 2yrq h PRO 39 N 7.30 0.06 -0.90 8.40 0.13 -1.75 -3.08 132.00 142.16 2yrq h PRO 39 Ca -0.04 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 2yrq h PRO 39 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2yrq h PRO 39 CO 0.43 0.53 0.03 -0.40 -0.23 0.00 0.00 178.00 178.35 2yrq n ASP 40 N -4.81 2.47 -4.64 1.44 5.75 -1.26 -4.84 116.55 110.66 2yrq n ASP 40 Ca -0.08 -2.29 -0.41 0.00 -0.01 0.00 0.00 54.79 52.00 2yrq n ASP 40 Cb 0.27 -0.56 -0.05 0.00 -1.03 0.00 0.00 41.12 39.74 2yrq n ASP 40 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2yrq s ALA 41 N -1.41 3.62 -1.04 2.12 0.00 -1.16 -4.98 121.76 118.90 2yrq s ALA 41 Ca 0.15 -0.30 -0.23 0.00 0.00 0.00 0.00 51.96 51.58 2yrq s ALA 41 Cb 0.12 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2yrq s ALA 41 CO 0.04 -0.82 1.87 -1.54 0.00 0.00 0.00 175.76 175.31 2yrq s SER 42 N 1.39 5.40 -0.06 0.00 1.04 -1.26 -4.94 113.70 115.28 2yrq s SER 42 Ca 0.30 -1.25 -0.02 0.00 0.48 0.00 0.00 55.95 55.46 2yrq s SER 42 Cb -0.15 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2yrq s SER 42 CO 0.08 -2.59 0.05 0.54 0.98 0.00 0.00 173.24 172.31 2yrq s VAL 43 N 9.33 4.63 0.48 5.02 0.11 -1.26 -5.12 120.40 133.59 2yrq s VAL 43 Ca 0.65 -0.26 0.03 0.00 -2.93 0.00 0.00 61.98 59.47 2yrq s VAL 43 Cb -0.03 -3.03 0.09 0.00 -1.53 0.00 0.00 36.38 31.88 2yrq s VAL 43 CO 0.04 0.50 0.66 0.59 -3.33 0.00 0.00 175.10 173.55 2yrq n ASN 44 N 1.72 1.19 -0.11 3.54 3.02 -1.26 -5.07 115.26 118.28 2yrq n ASN 44 Ca -0.17 -1.93 -0.24 0.00 -0.03 0.00 0.00 54.58 52.22 2yrq n ASN 44 Cb 0.53 -0.40 -0.09 0.00 -0.61 0.00 0.00 39.78 39.22 2yrq n ASN 44 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2yrq n PHE 45 N -2.22 0.00 -0.10 3.10 3.01 -1.26 -4.09 117.46 115.90 2yrq n PHE 45 Ca 0.12 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.55 2yrq n PHE 45 Cb 0.42 -0.83 0.20 0.00 -0.01 0.00 0.00 39.48 39.26 2yrq n PHE 45 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2yrq h SER 46 N -0.72 0.73 -0.28 4.37 0.02 -1.99 -2.23 113.55 113.45 2yrq h SER 46 Ca -0.57 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.20 2yrq h SER 46 Cb 1.54 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 2yrq h SER 46 CO -0.32 0.75 0.03 1.05 -1.14 0.00 0.00 176.83 177.20 2yrq h GLU 47 N 0.74 0.48 -0.33 3.45 -0.00 -1.99 0.18 114.58 117.11 2yrq h GLU 47 Ca 0.16 -0.14 -0.02 0.00 -0.00 0.00 0.00 59.36 59.35 2yrq h GLU 47 Cb 0.34 -0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 29.03 2yrq h GLU 47 CO 0.01 0.61 0.11 0.35 -0.00 0.00 0.00 179.01 180.08 2yrq h PHE 48 N 0.29 0.47 0.07 2.06 3.57 -1.66 -2.67 116.94 119.06 2yrq h PHE 48 Ca 0.08 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2yrq h PHE 48 Cb 0.37 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2yrq h PHE 48 CO 0.03 0.40 -0.03 0.77 -2.23 0.00 0.00 178.31 177.24 2yrq h SER 49 N 0.47 -0.07 -0.55 0.41 0.02 -1.17 -1.87 113.55 110.78 2yrq h SER 49 Ca 0.11 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.23 2yrq h SER 49 Cb 0.14 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2yrq h SER 49 CO -0.01 0.33 0.98 0.07 -1.14 0.00 0.00 176.83 177.06 2yrq h LYS 50 N -0.86 0.00 0.08 3.45 2.10 -0.66 0.79 116.57 121.46 2yrq h LYS 50 Ca -0.01 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.28 2yrq h LYS 50 Cb 0.07 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.37 2yrq h LYS 50 CO 0.01 0.00 -2.03 1.17 -2.00 0.00 0.00 179.45 176.60 2yrq n LYS 51 N -3.05 0.70 -0.03 0.07 4.81 -1.01 -4.12 118.16 115.55 2yrq n LYS 51 Ca 0.12 0.28 0.24 0.00 -0.87 0.00 0.00 58.31 58.07 2yrq n LYS 51 Cb 1.15 -1.66 0.63 0.00 0.02 0.00 0.00 35.03 35.17 2yrq n LYS 51 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2yrq h SER 53 N 0.00 -0.16 0.73 0.00 4.64 -1.65 0.54 113.55 117.66 2yrq h SER 53 Ca 0.31 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2yrq h SER 53 Cb 1.81 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 2yrq h SER 53 CO -0.00 -0.06 0.00 -0.33 -0.87 0.00 0.00 176.83 175.56 2yrq h GLU 54 N -0.30 0.00 0.00 4.77 5.08 -1.56 -2.24 114.58 120.34 2yrq h GLU 54 Ca -0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2yrq h GLU 54 Cb 0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2yrq h GLU 54 CO 0.03 0.00 -1.01 -0.09 -1.00 0.00 0.00 179.01 176.94 2yrq h ARG 55 N 0.00 0.00 0.18 2.33 2.43 0.01 -3.12 114.38 116.20 2yrq h ARG 55 Ca 0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 2yrq h ARG 55 Cb 0.37 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2yrq h ARG 55 CO 0.00 0.24 -1.46 2.35 -1.51 0.00 0.00 179.97 179.59 2yrq h TRP 56 N 0.00 0.68 -0.17 2.20 2.91 -0.30 -3.21 115.95 118.06 2yrq h TRP 56 Ca -0.08 -0.50 -0.10 0.00 1.13 0.00 0.00 58.89 59.35 2yrq h TRP 56 Cb 1.35 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.96 2yrq h TRP 56 CO 0.00 1.57 -0.34 1.57 -1.03 0.00 0.00 178.44 180.21 2yrq h LYS 57 N -0.07 0.34 0.00 2.65 2.10 -1.61 -2.75 116.57 117.24 2yrq h LYS 57 Ca -0.28 -0.15 -0.09 0.00 -2.00 0.00 0.00 60.65 58.13 2yrq h LYS 57 Cb 1.95 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 33.26 2yrq h LYS 57 CO 0.16 0.65 -0.41 0.00 -2.00 0.00 0.00 179.45 177.86 2yrq h THR 58 N 0.30 1.21 -2.41 0.07 1.03 -1.66 -3.44 112.91 108.00 2yrq h THR 58 Ca 0.04 -1.43 -0.54 0.00 -0.01 0.00 0.00 66.41 64.47 2yrq h THR 58 Cb 0.75 1.79 0.03 0.00 -1.07 0.00 0.00 68.15 69.65 2yrq h THR 58 CO 0.06 0.40 1.15 0.23 -0.01 0.00 0.00 175.52 177.34 2yrq n MET 59 N -3.93 2.78 -1.46 0.00 2.81 -1.04 -4.93 117.12 111.34 2yrq n MET 59 Ca -0.02 1.01 -0.36 0.00 -1.81 0.00 0.00 57.70 56.53 2yrq n MET 59 Cb 0.45 -2.92 0.09 0.00 -0.71 0.00 0.00 33.22 30.13 2yrq n MET 59 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2yrq n SER 60 N 6.32 1.48 -0.36 7.83 7.64 -1.26 -4.65 113.62 130.62 2yrq n SER 60 Ca 0.19 0.72 0.27 0.00 1.01 0.00 0.00 58.87 61.06 2yrq n SER 60 Cb 0.38 -1.52 0.52 0.00 -1.01 0.00 0.00 64.21 62.58 2yrq n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yrq h ALA 61 N -0.08 2.19 -0.83 -0.43 0.00 -1.94 0.56 119.26 118.73 2yrq h ALA 61 Ca -0.49 0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2yrq h ALA 61 Cb 1.33 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 2yrq h ALA 61 CO 0.50 -0.77 0.52 -0.22 0.00 0.00 0.00 179.25 179.28 2yrq h LYS 62 N 0.28 0.97 -0.17 0.00 3.11 -2.00 0.43 116.57 119.18 2yrq h LYS 62 Ca 0.73 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 58.48 2yrq h LYS 62 Cb 1.85 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 32.86 2yrq h LYS 62 CO -0.50 0.64 -0.01 0.93 -2.81 0.00 0.00 179.45 177.69 2yrq h GLU 63 N 1.00 0.32 0.00 1.90 5.08 -0.21 -2.84 114.58 119.81 2yrq h GLU 63 Ca 0.34 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2yrq h GLU 63 Cb 0.06 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2yrq h GLU 63 CO -0.13 0.55 -0.11 0.87 -1.00 0.00 0.00 179.01 179.18 2yrq h LYS 64 N 0.05 0.00 0.00 2.33 1.57 -1.04 -3.29 116.57 116.19 2yrq h LYS 64 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2yrq h LYS 64 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2yrq h LYS 64 CO 0.01 0.11 0.00 0.41 -0.57 0.00 0.00 179.45 179.42 2yrq n GLY 65 N -0.96 -3.24 0.32 3.86 0.00 0.11 0.93 105.19 106.21 2yrq n GLY 65 Ca -0.02 0.60 0.17 0.00 0.00 0.00 0.00 46.02 46.76 2yrq n GLY 65 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2yrq h LYS 66 N 0.00 0.15 -0.03 1.61 2.10 -1.72 1.38 116.57 120.06 2yrq h LYS 66 Ca 0.00 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 2yrq h LYS 66 Cb 0.00 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.29 2yrq h LYS 66 CO 0.00 0.10 -0.28 0.74 -2.00 0.00 0.00 179.45 178.01 2yrq h PHE 67 N 0.15 0.05 -0.09 0.07 0.04 -1.11 0.12 116.94 116.17 2yrq h PHE 67 Ca 0.61 -0.01 -0.24 0.00 2.80 0.00 0.00 57.97 61.13 2yrq h PHE 67 Cb 1.32 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 39.47 2yrq h PHE 67 CO -0.26 0.32 -0.88 0.93 -0.60 0.00 0.00 178.31 177.82 2yrq h GLU 68 N 0.04 0.77 0.17 1.51 4.39 0.85 -2.66 114.58 119.65 2yrq h GLU 68 Ca 0.00 -0.70 -0.01 0.00 0.34 0.00 0.00 59.36 59.00 2yrq h GLU 68 Cb 0.52 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2yrq h GLU 68 CO 0.04 1.29 -0.08 0.22 -1.16 0.00 0.00 179.01 179.31 2yrq h ASP 69 N 0.49 -0.19 -0.83 1.42 3.58 -0.72 -2.86 116.42 117.30 2yrq h ASP 69 Ca -0.08 -0.23 0.18 0.00 0.42 0.00 0.00 57.03 57.32 2yrq h ASP 69 Cb 1.52 0.05 -0.11 0.00 1.72 0.00 0.00 39.33 42.51 2yrq h ASP 69 CO 0.18 0.36 0.32 0.00 -2.88 0.00 0.00 179.24 177.22 2yrq h MET 70 N -0.99 0.38 -0.51 0.28 -0.00 -0.90 0.19 114.93 113.38 2yrq h MET 70 Ca -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 2yrq h MET 70 Cb 0.41 -0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 31.90 2yrq h MET 70 CO 0.04 0.25 0.29 0.00 -0.00 0.00 0.00 176.91 177.49 2yrq h ALA 71 N 1.64 0.66 -0.94 -3.00 0.00 -1.57 -2.42 119.26 113.64 2yrq h ALA 71 Ca 0.49 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.51 2yrq h ALA 71 Cb 0.85 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 2yrq h ALA 71 CO -0.49 0.17 0.61 0.87 0.00 0.00 0.00 179.25 180.41 2yrq h LYS 72 N 0.69 0.52 -0.66 0.00 1.57 -0.72 0.07 116.57 118.04 2yrq h LYS 72 Ca 0.18 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 2yrq h LYS 72 Cb 0.04 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 2yrq h LYS 72 CO -0.03 0.35 0.39 0.00 -0.57 0.00 0.00 179.45 179.58 2yrq h ALA 73 N 1.61 0.88 -0.45 3.86 0.00 -1.11 -2.10 119.26 121.95 2yrq h ALA 73 Ca 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.30 2yrq h ALA 73 Cb 1.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2yrq h ALA 73 CO -0.24 0.09 -0.20 0.22 0.00 0.00 0.00 179.25 179.13 2yrq h ASP 74 N 0.73 0.91 -0.19 0.00 1.82 -1.04 -2.29 116.42 116.36 2yrq h ASP 74 Ca 0.29 -0.33 0.05 0.00 -0.39 0.00 0.00 57.03 56.65 2yrq h ASP 74 Cb 0.13 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.88 2yrq h ASP 74 CO -0.15 1.08 0.14 0.11 -1.61 0.00 0.00 179.24 178.80 2yrq h LYS 75 N 0.78 0.03 0.00 0.28 1.57 -0.79 -0.69 116.57 117.75 2yrq h LYS 75 Ca 0.11 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2yrq h LYS 75 Cb 0.74 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 2yrq h LYS 75 CO 0.06 0.02 -0.05 0.00 -0.57 0.00 0.00 179.45 178.91 2yrq h ALA 76 N 1.90 0.01 -0.01 3.86 0.00 -1.14 -3.04 119.26 120.84 2yrq h ALA 76 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2yrq h ALA 76 Cb 0.32 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2yrq h ALA 76 CO -0.00 0.03 0.11 0.07 0.00 0.00 0.00 179.25 179.46 2yrq h ARG 77 N -1.00 0.00 0.21 0.00 -0.00 -1.17 -0.89 114.38 111.54 2yrq h ARG 77 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 59.98 59.64 2yrq h ARG 77 Cb 0.71 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.71 2yrq h ARG 77 CO -0.01 0.00 -1.54 -0.92 -0.00 0.00 0.00 179.97 177.51 2yrq h TYR 78 N 0.00 0.82 -0.99 4.08 5.03 -1.20 -3.32 116.97 121.40 2yrq h TYR 78 Ca 0.01 -0.60 0.18 0.00 2.58 0.00 0.00 58.73 60.90 2yrq h TYR 78 Cb 0.23 -0.03 -0.10 0.00 1.55 0.00 0.00 36.73 38.38 2yrq h TYR 78 CO 0.00 1.55 0.61 0.93 -1.32 0.00 0.00 178.16 179.94 2yrq h GLU 79 N 0.12 0.71 -0.96 1.82 4.39 -1.03 -0.60 114.58 119.03 2yrq h GLU 79 Ca -0.27 -0.04 0.29 0.00 0.34 0.00 0.00 59.36 59.68 2yrq h GLU 79 Cb 2.12 -0.16 -0.15 0.00 -0.10 0.00 0.00 28.75 30.47 2yrq h GLU 79 CO 0.23 0.47 0.45 -0.09 -1.16 0.00 0.00 179.01 178.91 2yrq h ARG 80 N 0.73 0.27 -0.59 2.33 2.43 -1.64 0.54 114.38 118.45 2yrq h ARG 80 Ca 0.55 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.61 2yrq h ARG 80 Cb 0.89 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 2yrq h ARG 80 CO -0.32 0.18 0.00 0.93 -1.51 0.00 0.00 179.97 179.25 2yrq h GLU 81 N 0.28 1.04 -0.99 0.20 3.07 -1.31 -2.89 114.58 113.97 2yrq h GLU 81 Ca 0.67 -0.33 0.17 0.00 -0.50 0.00 0.00 59.36 59.38 2yrq h GLU 81 Cb 1.48 -0.09 -0.10 0.00 -0.84 0.00 0.00 28.75 29.20 2yrq h GLU 81 CO -0.63 1.02 0.62 1.98 -1.40 0.00 0.00 179.01 180.60 2yrq h MET 82 N 0.93 0.76 -0.91 2.33 4.05 0.06 -1.74 114.93 120.41 2yrq h MET 82 Ca 0.17 -0.05 0.25 0.00 -0.28 0.00 0.00 59.70 59.79 2yrq h MET 82 Cb 0.55 -0.17 -0.17 0.00 -0.80 0.00 0.00 31.60 31.01 2yrq h MET 82 CO 0.03 0.50 -0.00 1.17 0.23 0.00 0.00 176.91 178.84 2yrq n LYS 83 N -4.69 -0.07 -0.04 0.39 4.81 -1.03 0.19 118.16 117.71 2yrq n LYS 83 Ca 0.22 1.37 -0.08 0.00 -0.87 0.00 0.00 58.31 58.95 2yrq n LYS 83 Cb 0.53 -2.17 0.09 0.00 0.02 0.00 0.00 35.03 33.50 2yrq n LYS 83 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2yrq h THR 84 N 0.00 1.29 -3.06 3.15 1.35 -1.50 -3.45 112.91 110.70 2yrq h THR 84 Ca 0.54 -1.50 -0.58 0.00 -0.55 0.00 0.00 66.41 64.32 2yrq h THR 84 Cb 1.10 1.44 0.15 0.00 -1.73 0.00 0.00 68.15 69.11 2yrq h THR 84 CO -0.86 0.48 -0.03 0.00 -0.25 0.00 0.00 175.52 174.86 2yrq n TYR 85 N -4.06 0.50 -3.62 4.73 9.36 0.52 -5.00 117.16 119.60 2yrq n TYR 85 Ca -0.01 0.51 -0.28 0.00 3.32 0.00 0.00 57.90 61.44 2yrq n TYR 85 Cb 0.50 -2.12 -0.16 0.00 -0.63 0.00 0.00 39.34 36.93 2yrq n TYR 85 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2yrq s ILE 86 N -1.44 0.15 0.86 2.97 1.01 -1.26 -5.01 121.20 118.48 2yrq s ILE 86 Ca 0.67 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 2yrq s ILE 86 Cb -0.51 -0.94 0.11 0.00 0.01 0.00 0.00 42.46 41.12 2yrq s ILE 86 CO 0.54 -0.48 1.09 -2.16 0.00 0.00 0.00 174.94 173.93 2yrq s PRO 87 N 2.01 1.53 1.17 2.79 0.04 -1.26 -5.05 135.00 136.24 2yrq s PRO 87 Ca 0.05 0.92 -0.18 0.00 0.04 0.00 0.00 61.00 61.83 2yrq s PRO 87 Cb -0.16 -1.83 0.27 0.00 0.04 0.00 0.00 34.50 32.82 2yrq s PRO 87 CO -0.21 -2.08 1.11 -1.25 0.04 0.00 0.00 177.00 174.61 2yrq s PRO 88 N -4.93 -0.98 -0.57 0.56 0.04 -1.26 -4.88 135.00 122.99 2yrq s PRO 88 Ca 0.63 0.02 -0.26 0.00 0.04 0.00 0.00 61.00 61.42 2yrq s PRO 88 Cb -0.18 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2yrq s PRO 88 CO 0.57 -3.57 2.10 0.15 0.04 0.00 0.00 177.00 176.29 2yrq s LYS 89 N -5.34 2.38 0.00 4.56 -0.14 -1.26 -4.76 119.74 115.18 2yrq s LYS 89 Ca 0.70 0.92 0.00 0.00 -1.36 0.00 0.00 55.97 56.23 2yrq s LYS 89 Cb -0.11 -4.49 0.00 0.00 -1.68 0.00 0.00 37.83 31.54 2yrq s LYS 89 CO 0.56 -3.02 0.00 0.41 -0.76 0.00 0.00 175.35 172.55 2yrq n GLY 90 N 5.88 2.84 3.20 -3.33 0.00 -1.26 -5.13 105.19 107.38 2yrq n GLY 90 Ca 0.28 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2yrq n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yrq s GLU 91 N 3.23 2.74 0.02 1.61 -1.05 -1.26 -5.09 118.70 118.90 2yrq s GLU 91 Ca 0.00 -1.05 -0.02 0.00 -0.15 0.00 0.00 54.97 53.75 2yrq s GLU 91 Cb 0.00 -3.05 -0.02 0.00 -0.44 0.00 0.00 34.13 30.62 2yrq s GLU 91 CO 0.00 -0.46 0.02 0.99 0.95 0.00 0.00 175.26 176.76 2yrq s THR 92 N 1.31 0.12 -0.24 1.83 2.01 -1.26 -5.14 115.64 114.27 2yrq s THR 92 Ca -0.01 -1.01 -0.10 0.00 0.31 0.00 0.00 61.69 60.87 2yrq s THR 92 Cb -0.17 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 2yrq s THR 92 CO -0.03 -0.56 0.16 -0.54 -0.69 0.00 0.00 174.62 172.95 2yrq s LYS 93 N -1.94 4.05 -0.12 4.92 1.02 -1.26 -5.08 119.74 121.34 2yrq s LYS 93 Ca -0.11 -0.28 -0.09 0.00 0.02 0.00 0.00 55.97 55.51 2yrq s LYS 93 Cb -0.06 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 2yrq s LYS 93 CO -0.02 0.05 0.19 0.15 -0.92 0.00 0.00 175.35 174.80 2yrq s LYS 94 N 1.07 3.68 0.37 1.68 1.02 -1.26 -5.10 119.74 121.20 2yrq s LYS 94 Ca 0.07 -0.04 0.08 0.00 0.02 0.00 0.00 55.97 56.10 2yrq s LYS 94 Cb -0.14 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 2yrq s LYS 94 CO 0.05 0.66 0.22 0.15 -0.92 0.00 0.00 175.35 175.51 2yrq s LYS 95 N -0.73 2.45 0.07 1.68 -0.14 -1.26 -5.15 119.74 116.67 2yrq s LYS 95 Ca 0.15 -1.54 0.06 0.00 -1.36 0.00 0.00 55.97 53.28 2yrq s LYS 95 Cb -0.13 -2.24 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 2yrq s LYS 95 CO 0.05 0.01 -0.16 0.12 -0.76 0.00 0.00 175.35 174.61 2yrq s PHE 96 N -2.44 1.36 0.22 3.18 2.19 -1.26 -5.08 117.98 116.16 2yrq s PHE 96 Ca 0.41 -0.44 0.11 0.00 0.33 0.00 0.00 56.93 57.35 2yrq s PHE 96 Cb -0.02 -0.77 -0.05 0.00 -1.31 0.00 0.00 43.02 40.88 2yrq s PHE 96 CO 0.24 0.09 -0.21 0.15 1.83 0.00 0.00 175.22 177.33 2yrq s LYS 97 N -1.69 1.65 -0.20 10.12 -0.14 -1.26 -5.11 119.74 123.10 2yrq s LYS 97 Ca 0.01 -1.58 -0.21 0.00 -1.36 0.00 0.00 55.97 52.82 2yrq s LYS 97 Cb -0.10 -1.86 -0.02 0.00 -1.68 0.00 0.00 37.83 34.17 2yrq s LYS 97 CO 0.03 0.38 0.66 -0.51 -0.76 0.00 0.00 175.35 175.14 2yrq s ASP 98 N -3.00 6.71 0.55 2.83 1.01 -1.26 -4.94 116.67 118.56 2yrq s ASP 98 Ca 0.25 0.86 0.33 0.00 0.71 0.00 0.00 52.55 54.70 2yrq s ASP 98 Cb -0.07 -2.36 1.38 0.00 1.01 0.00 0.00 42.92 42.88 2yrq s ASP 98 CO 0.12 -0.30 1.99 1.55 0.21 0.00 0.00 175.17 178.74 2yrq h PRO 99 N 7.52 0.00 0.06 8.23 0.13 -2.03 -3.16 132.00 142.75 2yrq h PRO 99 Ca -0.30 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2yrq h PRO 99 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2yrq h PRO 99 CO 0.78 0.02 -0.03 -0.91 -0.23 0.00 0.00 178.00 177.63 2yrq h ASN 100 N 0.00 -0.07 -3.01 1.44 2.35 -2.05 -3.44 115.58 110.79 2yrq h ASN 100 Ca -0.00 -0.27 -0.58 0.00 -0.55 0.00 0.00 56.30 54.90 2yrq h ASN 100 Cb 0.51 0.02 0.12 0.00 0.05 0.00 0.00 38.32 39.02 2yrq h ASN 100 CO 0.00 0.23 0.24 0.00 -1.65 0.00 0.00 177.43 176.25 2yrq n ALA 101 N -2.29 0.36 -2.18 -0.83 0.00 -1.20 -4.89 120.51 109.49 2yrq n ALA 101 Ca -0.08 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 2yrq n ALA 101 Cb 0.18 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 2yrq n ALA 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2yrq s PRO 102 N -1.91 4.27 0.27 0.00 0.04 -1.26 -4.99 135.00 131.42 2yrq s PRO 102 Ca 0.61 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.38 2yrq s PRO 102 Cb -0.58 -3.55 -0.09 0.00 0.04 0.00 0.00 34.50 30.32 2yrq s PRO 102 CO 0.58 -0.58 1.12 -1.59 0.04 0.00 0.00 177.00 176.57 2yrq s LYS 103 N 2.31 4.61 0.23 4.56 -2.85 -1.26 -4.97 119.74 122.37 2yrq s LYS 103 Ca 0.65 1.83 -0.31 0.00 -1.00 0.00 0.00 55.97 57.14 2yrq s LYS 103 Cb -0.33 -3.19 -0.11 0.00 -2.06 0.00 0.00 37.83 32.13 2yrq s LYS 103 CO 0.28 0.16 1.63 1.03 0.10 0.00 0.00 175.35 178.54 2yrq s ARG 104 N -1.31 4.15 0.90 1.78 1.81 -1.26 -4.98 118.95 120.04 2yrq s ARG 104 Ca 0.46 2.52 -0.12 0.00 -1.72 0.00 0.00 55.73 56.87 2yrq s ARG 104 Cb -0.32 -3.08 0.13 0.00 -0.45 0.00 0.00 34.95 31.23 2yrq s ARG 104 CO 0.41 -0.66 1.09 -1.25 -0.68 0.00 0.00 175.30 174.22 2yrq s PRO 105 N 0.49 1.26 0.71 3.54 0.04 -1.26 -5.02 135.00 134.75 2yrq s PRO 105 Ca 0.69 0.82 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 2yrq s PRO 105 Cb -0.47 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.28 2yrq s PRO 105 CO 0.38 -2.24 1.10 -1.25 0.04 0.00 0.00 177.00 175.03 2yrq s PRO 106 N -4.94 2.57 0.34 0.56 0.04 -1.26 -5.03 135.00 127.29 2yrq s PRO 106 Ca 0.63 1.30 0.08 0.00 0.04 0.00 0.00 61.00 63.06 2yrq s PRO 106 Cb -0.18 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2yrq s PRO 106 CO 0.57 -1.42 0.14 -1.12 0.04 0.00 0.00 177.00 175.22 2yrq s SER 107 N -2.92 4.71 0.00 6.66 0.01 -1.26 -4.84 113.70 116.06 2yrq s SER 107 Ca 0.65 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2yrq s SER 107 Cb -0.19 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.29 2yrq s SER 107 CO 0.48 -0.29 0.67 0.00 0.41 0.00 0.00 173.24 174.51 2yrq n ALA 108 N -1.15 0.00 -0.33 1.44 0.00 -1.23 0.13 120.51 119.38 2yrq n ALA 108 Ca -0.03 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.65 2yrq n ALA 108 Cb 0.61 0.33 0.45 0.00 0.00 0.00 0.00 19.45 20.85 2yrq n ALA 108 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2yrq h PHE 109 N 0.00 0.47 0.53 0.00 3.57 -1.97 -0.02 116.94 119.52 2yrq h PHE 109 Ca 0.00 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2yrq h PHE 109 Cb 0.00 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 38.71 2yrq h PHE 109 CO -0.61 -0.43 -0.25 0.35 -2.23 0.00 0.00 178.31 175.14 2yrq h PHE 110 N 0.03 -0.66 -0.93 0.41 3.04 0.76 -1.19 116.94 118.41 2yrq h PHE 110 Ca 0.73 -0.02 0.26 0.00 3.98 0.00 0.00 57.97 62.92 2yrq h PHE 110 Cb 1.76 0.22 -0.17 0.00 2.56 0.00 0.00 35.95 40.32 2yrq h PHE 110 CO -0.22 -0.41 0.11 -0.07 -2.02 0.00 0.00 178.31 175.70 2yrq h LEU 111 N -1.01 -0.30 0.17 0.59 3.38 0.12 0.47 115.31 118.73 2yrq h LEU 111 Ca -0.07 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2yrq h LEU 111 Cb 0.54 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2yrq h LEU 111 CO 0.12 -0.29 -0.08 0.15 0.09 0.00 0.00 178.44 178.42 2yrq h PHE 112 N 0.07 -0.21 -0.31 1.13 3.04 -1.09 -2.88 116.94 116.68 2yrq h PHE 112 Ca 0.58 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.61 2yrq h PHE 112 Cb 1.21 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.77 2yrq h PHE 112 CO -0.40 0.09 0.22 0.00 -2.02 0.00 0.00 178.31 176.20 2yrq n SER 114 N -4.46 0.08 -0.11 0.00 2.88 0.14 -0.37 113.62 111.78 2yrq n SER 114 Ca 0.04 0.51 -0.20 0.00 -1.33 0.00 0.00 58.87 57.90 2yrq n SER 114 Cb 0.35 -0.53 -0.12 0.00 -0.75 0.00 0.00 64.21 63.16 2yrq n SER 114 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2yrq n GLU 115 N -1.58 0.66 0.03 -1.46 4.07 0.10 -4.60 120.64 117.85 2yrq n GLU 115 Ca 0.05 0.18 -0.21 0.00 -0.06 0.00 0.00 57.16 57.12 2yrq n GLU 115 Cb 0.26 -1.55 -0.14 0.00 -0.06 0.00 0.00 31.44 29.95 2yrq n GLU 115 CO 0.00 0.00 0.00 1.88 -0.06 0.00 0.00 177.13 178.95 2yrq h TYR 116 N -0.10 0.48 -0.41 4.31 -1.99 -1.33 -3.31 116.97 114.63 2yrq h TYR 116 Ca -0.57 -0.35 0.05 0.00 2.00 0.00 0.00 58.73 59.86 2yrq h TYR 116 Cb 1.88 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 40.54 2yrq h TYR 116 CO 0.03 1.43 -0.21 -2.13 -0.00 0.00 0.00 178.16 177.27 2yrq n ARG 117 N -4.04 -0.15 -0.07 4.88 0.63 0.50 0.23 116.66 118.65 2yrq n ARG 117 Ca -0.20 0.63 -0.10 0.00 -0.92 0.00 0.00 57.85 57.26 2yrq n ARG 117 Cb 0.85 -0.92 0.04 0.00 0.45 0.00 0.00 32.46 32.88 2yrq n ARG 117 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2yrq h PRO 118 N 0.00 0.76 0.00 -0.14 0.13 -1.81 0.02 132.00 130.97 2yrq h PRO 118 Ca 0.09 -0.40 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2yrq h PRO 118 Cb 0.20 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.34 2yrq h PRO 118 CO -0.40 1.03 -0.06 1.57 -0.23 0.00 0.00 178.00 179.91 2yrq h LYS 119 N 0.62 0.00 0.01 0.86 2.10 0.28 -2.50 116.57 117.94 2yrq h LYS 119 Ca 0.05 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.36 2yrq h LYS 119 Cb 0.96 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.23 2yrq h LYS 119 CO 0.09 0.06 -2.14 0.44 -2.00 0.00 0.00 179.45 175.89 2yrq n ILE 120 N -3.91 1.49 -0.03 0.07 -5.35 0.97 -4.11 119.36 108.49 2yrq n ILE 120 Ca -0.03 -0.80 -0.08 0.00 -0.27 0.00 0.00 62.75 61.57 2yrq n ILE 120 Cb 0.15 -0.80 -0.02 0.00 -1.74 0.00 0.00 39.64 37.22 2yrq n ILE 120 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 2yrq h LYS 121 N 0.00 -0.09 -0.55 6.28 1.79 -0.55 0.13 116.57 123.59 2yrq h LYS 121 Ca -0.46 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.00 2yrq h LYS 121 Cb 2.13 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 32.77 2yrq h LYS 121 CO 0.04 -0.06 0.25 0.78 -1.08 0.00 0.00 179.45 179.38 2yrq h GLY 122 N -0.09 0.84 1.13 3.86 0.00 -1.71 -2.64 103.07 104.45 2yrq h GLY 122 Ca 0.11 -0.39 -0.15 0.00 0.00 0.00 0.00 47.33 46.89 2yrq h GLY 122 CO -0.26 0.38 -0.34 0.83 0.00 0.00 0.00 176.54 177.15 2yrq h GLU 123 N 0.78 0.96 -3.82 4.80 4.39 -1.50 -3.38 114.58 116.81 2yrq h GLU 123 Ca 0.19 -0.48 -0.64 0.00 0.34 0.00 0.00 59.36 58.77 2yrq h GLU 123 Cb 0.10 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.35 2yrq h GLU 123 CO -0.02 1.14 -0.68 -1.01 -1.16 0.00 0.00 179.01 177.28 2yrq s HIS 124 N -4.48 3.19 0.24 4.33 3.76 0.37 -4.96 115.29 117.75 2yrq s HIS 124 Ca -0.11 -2.96 0.02 0.00 -0.15 0.00 0.00 55.06 51.85 2yrq s HIS 124 Cb 0.11 -2.71 0.29 0.00 1.11 0.00 0.00 32.58 31.39 2yrq s HIS 124 CO 0.88 -0.83 1.62 -1.00 -0.85 0.00 0.00 174.74 174.56 2yrq h PRO 125 N 7.01 0.42 -0.13 8.40 0.13 -1.74 -3.25 132.00 142.83 2yrq h PRO 125 Ca -0.06 -0.22 0.04 0.00 -0.87 0.00 0.00 66.00 64.89 2yrq h PRO 125 Cb 0.95 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.04 2yrq h PRO 125 CO 0.60 0.78 -0.12 0.78 -0.23 0.00 0.00 178.00 179.81 2yrq h GLY 126 N 1.16 -0.03 -2.75 1.56 0.00 -1.92 -3.43 103.07 97.65 2yrq h GLY 126 Ca 0.03 0.15 -0.57 0.00 0.00 0.00 0.00 47.33 46.94 2yrq h GLY 126 CO 0.08 -0.13 -0.44 1.04 0.00 0.00 0.00 176.54 177.08 2yrq n LEU 127 N -5.27 0.58 -4.46 3.11 4.77 -1.23 -5.02 117.00 109.48 2yrq n LEU 127 Ca -0.03 0.61 -0.22 0.00 -0.03 0.00 0.00 56.01 56.34 2yrq n LEU 127 Cb 0.19 -1.19 -0.10 0.00 -2.33 0.00 0.00 43.42 39.99 2yrq n LEU 127 CO 0.23 -3.20 -0.33 -0.44 -1.33 0.00 0.00 177.39 172.32 2yrq s SER 128 N -1.39 2.85 0.42 -1.43 0.01 -1.26 -4.84 113.70 108.06 2yrq s SER 128 Ca 0.65 -1.26 0.31 0.00 1.31 0.00 0.00 55.95 56.97 2yrq s SER 128 Cb -0.37 -0.19 1.41 0.00 0.21 0.00 0.00 66.02 67.08 2yrq s SER 128 CO 0.58 -0.42 1.46 -0.38 0.41 0.00 0.00 173.24 174.89 2yrq n ILE 129 N -0.67 -0.22 0.03 1.44 5.41 -1.26 0.52 119.36 124.61 2yrq n ILE 129 Ca -0.05 1.66 -0.13 0.00 1.00 0.00 0.00 62.75 65.24 2yrq n ILE 129 Cb 0.65 -2.73 -0.09 0.00 -0.71 0.00 0.00 39.64 36.76 2yrq n ILE 129 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2yrq h GLY 130 N 0.00 -0.12 0.38 7.39 0.00 -2.00 -3.08 103.07 105.64 2yrq h GLY 130 Ca 0.83 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 48.18 2yrq h GLY 130 CO -0.41 -0.04 -0.18 -0.55 0.00 0.00 0.00 176.54 175.36 2yrq h ASP 131 N -0.56 -0.43 -0.95 0.19 5.19 -0.31 -3.12 116.42 116.42 2yrq h ASP 131 Ca -0.01 0.01 0.36 0.00 -0.62 0.00 0.00 57.03 56.77 2yrq h ASP 131 Cb 0.47 0.11 -0.12 0.00 0.18 0.00 0.00 39.33 39.97 2yrq h ASP 131 CO 0.02 -0.10 0.57 0.52 -3.12 0.00 0.00 179.24 177.13 2yrq n VAL 132 N -4.57 -0.26 -0.01 -1.35 0.31 0.56 0.17 118.33 113.18 2yrq n VAL 132 Ca -0.06 1.50 -0.12 0.00 -0.01 0.00 0.00 64.34 65.64 2yrq n VAL 132 Cb 0.20 -2.45 -0.08 0.00 -0.91 0.00 0.00 33.84 30.60 2yrq n VAL 132 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yrq h ALA 133 N 1.40 0.06 0.00 3.52 0.00 -1.55 -2.92 119.26 119.77 2yrq h ALA 133 Ca 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 2yrq h ALA 133 Cb 2.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 2yrq h ALA 133 CO -0.48 -0.26 -0.05 -0.22 0.00 0.00 0.00 179.25 178.24 2yrq h LYS 134 N -0.25 0.00 0.00 0.00 3.64 0.18 -0.74 116.57 119.41 2yrq h LYS 134 Ca 0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2yrq h LYS 134 Cb 0.36 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2yrq h LYS 134 CO 0.00 0.05 -0.20 0.87 -2.27 0.00 0.00 179.45 177.90 2yrq h LYS 135 N 0.00 0.00 0.00 1.90 1.79 -0.99 -2.08 116.57 117.18 2yrq h LYS 135 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2yrq h LYS 135 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2yrq h LYS 135 CO 0.01 0.20 -0.46 1.28 -1.08 0.00 0.00 179.45 179.40 2yrq n LEU 136 N -3.61 0.62 -0.05 2.94 4.77 -0.30 -3.84 117.00 117.53 2yrq n LEU 136 Ca -0.01 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 2yrq n LEU 136 Cb 0.34 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 2yrq n LEU 136 CO 0.33 -0.03 0.78 1.23 -1.33 0.00 0.00 177.39 178.37 2yrq h GLY 137 N 4.65 0.30 1.21 -0.72 0.00 -1.19 -3.03 103.07 104.28 2yrq h GLY 137 Ca 0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 46.97 2yrq h GLY 137 CO 0.00 0.19 -0.43 1.05 0.00 0.00 0.00 176.54 177.34 2yrq h GLU 138 N 0.06 0.86 -0.14 4.80 9.09 -1.70 -3.22 114.58 124.33 2yrq h GLU 138 Ca 0.05 -0.47 0.02 0.00 0.05 0.00 0.00 59.36 59.01 2yrq h GLU 138 Cb 0.31 0.03 -0.04 0.00 -1.65 0.00 0.00 28.75 27.40 2yrq h GLU 138 CO 0.00 1.11 -0.28 0.52 0.05 0.00 0.00 179.01 180.42 2yrq h MET 139 N 0.69 -0.24 -1.07 1.06 2.86 -1.65 0.56 114.93 117.14 2yrq h MET 139 Ca 0.05 0.02 0.29 0.00 -2.06 0.00 0.00 59.70 57.99 2yrq h MET 139 Cb 1.01 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.64 2yrq h MET 139 CO 0.10 -0.16 0.70 2.35 1.06 0.00 0.00 176.91 180.96 2yrq h TRP 140 N -0.25 0.53 0.00 -0.22 -0.00 -1.62 0.98 115.95 115.37 2yrq h TRP 140 Ca 0.03 0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 58.85 2yrq h TRP 140 Cb 0.32 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 29.32 2yrq h TRP 140 CO -0.59 0.04 -0.40 -0.91 -0.00 0.00 0.00 178.44 176.57 2yrq h ASN 141 N 0.31 0.00 -0.67 2.65 2.35 -0.89 -3.17 115.58 116.15 2yrq h ASN 141 Ca 0.59 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.94 2yrq h ASN 141 Cb 1.68 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.81 2yrq h ASN 141 CO -0.25 0.40 0.11 -0.46 -1.65 0.00 0.00 177.43 175.59 2yrq n ASN 142 N -3.34 4.18 -4.26 5.81 0.23 0.33 -4.96 115.26 113.25 2yrq n ASN 142 Ca 0.01 -3.76 -0.33 0.00 -0.53 0.00 0.00 54.58 49.97 2yrq n ASN 142 Cb 0.61 -0.69 -0.16 0.00 -2.08 0.00 0.00 39.78 37.46 2yrq n ASN 142 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2yrq s THR 143 N -3.82 2.51 0.31 5.53 2.01 -0.39 -4.94 115.64 116.84 2yrq s THR 143 Ca 0.52 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 2yrq s THR 143 Cb 0.44 -2.03 -0.13 0.00 0.01 0.00 0.00 72.50 70.79 2yrq s THR 143 CO 0.02 0.53 1.27 0.00 -0.69 0.00 0.00 174.62 175.75 2yrq n ALA 144 N 3.84 0.97 -0.26 7.40 0.00 -1.26 -4.84 120.51 126.36 2yrq n ALA 144 Ca -0.19 0.38 0.22 0.00 0.00 0.00 0.00 53.44 53.85 2yrq n ALA 144 Cb 0.52 -2.22 0.55 0.00 0.00 0.00 0.00 19.45 18.30 2yrq n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yrq h ALA 145 N 2.82 2.34 0.00 0.00 0.00 -1.98 0.59 119.26 123.03 2yrq h ALA 145 Ca -0.45 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2yrq h ALA 145 Cb 1.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2yrq h ALA 145 CO 0.65 -0.65 -0.12 0.22 0.00 0.00 0.00 179.25 179.35 2yrq h ASP 146 N 0.34 0.00 -0.27 0.00 3.58 -2.02 -0.81 116.42 117.24 2yrq h ASP 146 Ca 0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.95 2yrq h ASP 146 Cb 1.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2yrq h ASP 146 CO -0.18 0.12 0.00 0.47 -2.88 0.00 0.00 179.24 176.77 2yrq n ASP 147 N -3.77 1.68 0.00 2.28 9.92 0.21 -3.58 116.55 123.29 2yrq n ASP 147 Ca -0.02 -2.05 0.00 0.00 -0.53 0.00 0.00 54.79 52.19 2yrq n ASP 147 Cb 0.22 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 2yrq n ASP 147 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2yrq n LYS 148 N 0.30 1.23 -0.27 -1.24 5.02 -0.33 -4.69 118.16 118.18 2yrq n LYS 148 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2yrq n LYS 148 Cb 0.29 -0.99 0.07 0.00 -0.02 0.00 0.00 35.03 34.38 2yrq n LYS 148 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2yrq h GLN 149 N 0.00 -0.04 0.00 1.97 4.15 -1.55 1.06 115.11 120.71 2yrq h GLN 149 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2yrq h GLN 149 Cb 0.29 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2yrq h GLN 149 CO 0.00 -0.02 0.00 -1.00 -1.93 0.00 0.00 178.83 175.88 2yrq h PRO 150 N -0.04 0.00 0.00 -2.39 0.13 -1.85 -0.60 132.00 127.25 2yrq h PRO 150 Ca 0.34 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.22 2yrq h PRO 150 Cb 0.58 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.66 2yrq h PRO 150 CO -0.81 0.00 -1.64 0.66 -0.23 0.00 0.00 178.00 175.99 2yrq n TYR 151 N -2.53 0.98 -0.07 1.56 4.01 0.32 -3.80 117.16 117.63 2yrq n TYR 151 Ca 0.01 0.35 -0.06 0.00 -0.16 0.00 0.00 57.90 58.04 2yrq n TYR 151 Cb 0.25 -1.15 -0.03 0.00 -0.31 0.00 0.00 39.34 38.10 2yrq n TYR 151 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2yrq h GLU 152 N 0.00 0.00 -0.76 -0.72 5.08 0.01 -3.20 114.58 114.98 2yrq h GLU 152 Ca -0.25 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.26 2yrq h GLU 152 Cb 1.89 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 31.00 2yrq h GLU 152 CO 0.07 0.15 -0.20 0.87 -1.00 0.00 0.00 179.01 178.90 2yrq h LYS 153 N -1.00 -0.01 0.24 2.33 1.79 -1.34 -0.39 116.57 118.19 2yrq h LYS 153 Ca -0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2yrq h LYS 153 Cb 0.53 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2yrq h LYS 153 CO -0.03 -0.01 -0.13 -0.22 -1.08 0.00 0.00 179.45 177.99 2yrq h LYS 154 N -0.01 -0.33 -1.38 3.15 3.11 -1.76 -2.25 116.57 117.10 2yrq h LYS 154 Ca 0.36 0.02 0.42 0.00 -2.81 0.00 0.00 60.65 58.64 2yrq h LYS 154 Cb 0.56 0.08 -0.10 0.00 -1.00 0.00 0.00 32.23 31.76 2yrq h LYS 154 CO -0.79 -0.22 0.93 0.00 -2.81 0.00 0.00 179.45 176.56 2yrq h ALA 155 N 0.42 2.92 0.46 5.00 0.00 -1.08 0.15 119.26 127.13 2yrq h ALA 155 Ca -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2yrq h ALA 155 Cb 0.28 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2yrq h ALA 155 CO 0.04 -1.47 -0.22 0.00 0.00 0.00 0.00 179.25 177.60 2yrq h ALA 156 N 1.47 -0.61 -0.41 0.00 0.00 -0.85 -0.90 119.26 117.95 2yrq h ALA 156 Ca 0.77 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.64 2yrq h ALA 156 Cb 2.59 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 20.60 2yrq h ALA 156 CO -0.27 -0.79 0.58 0.87 0.00 0.00 0.00 179.25 179.64 2yrq h LYS 157 N -0.71 0.00 0.05 0.00 1.79 -0.70 0.53 116.57 117.53 2yrq h LYS 157 Ca -0.06 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.11 2yrq h LYS 157 Cb 0.52 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 2yrq h LYS 157 CO 0.10 0.00 -1.65 -0.07 -1.08 0.00 0.00 179.45 176.75 2yrq h LEU 158 N 0.00 0.16 -0.19 2.94 3.38 -1.25 -3.31 115.31 117.04 2yrq h LEU 158 Ca 0.20 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2yrq h LEU 158 Cb 1.36 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2yrq h LEU 158 CO -0.00 1.26 -0.35 0.50 0.09 0.00 0.00 178.44 179.94 2yrq h LYS 159 N 0.03 0.57 -0.34 1.13 3.64 0.14 -3.03 116.57 118.70 2yrq h LYS 159 Ca -0.27 -0.36 0.06 0.00 -1.27 0.00 0.00 60.65 58.80 2yrq h LYS 159 Cb 1.99 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.80 2yrq h LYS 159 CO 0.10 0.97 0.03 1.05 -2.27 0.00 0.00 179.45 179.33 2yrq h GLU 160 N 0.24 0.13 -0.98 1.90 4.11 -1.14 -1.41 114.58 117.42 2yrq h GLU 160 Ca 0.01 -0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.51 2yrq h GLU 160 Cb 0.94 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 2yrq h GLU 160 CO 0.08 0.08 0.63 0.87 0.07 0.00 0.00 179.01 180.74 2yrq h LYS 161 N 0.13 1.06 0.13 1.06 6.56 -1.64 -1.87 116.57 122.00 2yrq h LYS 161 Ca 0.16 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.68 2yrq h LYS 161 Cb 0.21 -0.24 0.00 0.00 -0.57 0.00 0.00 32.23 31.63 2yrq h LYS 161 CO -0.25 0.70 -0.06 -0.92 -2.06 0.00 0.00 179.45 176.86 2yrq h TYR 162 N 1.10 -0.16 -0.93 -1.35 3.20 -1.17 0.34 116.97 117.99 2yrq h TYR 162 Ca 0.44 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.43 2yrq h TYR 162 Cb 0.26 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.50 2yrq h TYR 162 CO -0.01 0.00 0.55 0.93 -1.64 0.00 0.00 178.16 178.00 2yrq h GLU 163 N -0.29 0.83 -0.12 1.82 5.08 -0.84 0.18 114.58 121.25 2yrq h GLU 163 Ca -0.02 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2yrq h GLU 163 Cb 0.23 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2yrq h GLU 163 CO 0.03 0.55 -0.08 0.87 -1.00 0.00 0.00 179.01 179.38 2yrq h LYS 164 N 0.86 0.26 0.44 2.33 1.79 -1.12 -1.29 116.57 119.84 2yrq h LYS 164 Ca 0.47 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.80 2yrq h LYS 164 Cb 0.51 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2yrq h LYS 164 CO -0.29 0.63 -0.24 -0.44 -1.08 0.00 0.00 179.45 178.04 2yrq h ASP 165 N -0.10 -0.58 -0.94 0.86 3.32 -0.21 -2.82 116.42 115.95 2yrq h ASP 165 Ca 0.02 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.16 2yrq h ASP 165 Cb 0.56 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.21 2yrq h ASP 165 CO 0.02 -0.39 0.60 -0.29 -1.72 0.00 0.00 179.24 177.46 2yrq h ILE 166 N -0.63 1.10 -0.99 0.35 2.10 -0.73 -1.99 117.51 116.72 2yrq h ILE 166 Ca -0.05 -0.38 0.32 0.00 1.08 0.00 0.00 64.86 65.82 2yrq h ILE 166 Cb 0.50 -0.12 -0.15 0.00 -1.09 0.00 0.00 36.82 35.96 2yrq h ILE 166 CO 0.08 0.20 0.51 0.00 -1.08 0.00 0.00 178.15 177.86 2yrq h ALA 167 N 1.41 1.88 0.14 0.18 0.00 -0.96 0.46 119.26 122.38 2yrq h ALA 167 Ca 0.39 0.21 -0.20 0.00 0.00 0.00 0.00 54.91 55.31 2yrq h ALA 167 Cb 0.11 0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.12 2yrq h ALA 167 CO -0.15 -0.61 -0.93 0.00 0.00 0.00 0.00 179.25 177.56 2yrq h ALA 168 N 1.87 -0.05 -0.94 0.00 0.00 -1.35 -3.21 119.26 115.57 2yrq h ALA 168 Ca 0.72 -0.76 0.14 0.00 0.00 0.00 0.00 54.91 55.01 2yrq h ALA 168 Cb 1.67 0.16 -0.15 0.00 0.00 0.00 0.00 17.79 19.48 2yrq h ALA 168 CO -0.64 0.46 -0.39 0.98 0.00 0.00 0.00 179.25 179.65 2yrq n TYR 169 N -4.08 -0.03 -0.18 0.00 9.36 0.11 0.46 117.16 122.80 2yrq n TYR 169 Ca -0.16 1.16 -0.09 0.00 3.32 0.00 0.00 57.90 62.13 2yrq n TYR 169 Cb 0.84 -0.81 0.01 0.00 -0.63 0.00 0.00 39.34 38.75 2yrq n TYR 169 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 2yrq h ARG 170 N 0.00 0.89 -0.54 2.98 0.11 -1.60 -3.44 114.38 112.77 2yrq h ARG 170 Ca 0.30 -0.26 0.19 0.00 0.10 0.00 0.00 59.98 60.31 2yrq h ARG 170 Cb 0.54 -0.09 -0.21 0.00 1.11 0.00 0.00 29.97 31.32 2yrq h ARG 170 CO -0.93 0.89 0.01 0.00 0.10 0.00 0.00 179.97 180.04 2yrq s ALA 171 N -5.10 -3.06 0.19 0.08 0.00 0.17 -5.14 121.76 108.89 2yrq s ALA 171 Ca -0.12 1.57 -0.32 0.00 0.00 0.00 0.00 51.96 53.08 2yrq s ALA 171 Cb 0.12 -2.39 -0.15 0.00 0.00 0.00 0.00 23.12 20.69 2yrq s ALA 171 CO 0.82 -1.42 1.17 0.36 0.00 0.00 0.00 175.76 176.69 2yrq n LYS 172 N 5.46 1.24 0.00 0.00 2.85 -0.64 -4.27 118.16 122.80 2yrq n LYS 172 Ca -0.05 0.44 0.00 0.00 -1.05 0.00 0.00 58.31 57.65 2yrq n LYS 172 Cb 0.53 -1.94 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 2yrq n LYS 172 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76