#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwq n GLY -1 N 0.00 0.34 3.74 -0.02 0.00 -1.26 -5.06 105.19 102.93 2uwq n GLY -1 Ca 0.00 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 2uwq n GLY -1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2uwq s SER 0 N -4.00 7.47 -0.19 1.61 0.01 -1.26 -4.94 113.70 112.39 2uwq s SER 0 Ca 0.00 1.94 0.16 0.00 1.31 0.00 0.00 55.95 59.36 2uwq s SER 0 Cb 0.00 -2.60 0.38 0.00 0.21 0.00 0.00 66.02 64.00 2uwq s SER 0 CO 0.00 -0.05 1.24 1.15 0.41 0.00 0.00 173.24 175.99 2uwq n MET 1 N 2.24 1.00 -3.89 12.44 -0.00 -1.26 -5.03 117.12 122.62 2uwq n MET 1 Ca 0.01 -2.07 -0.29 0.00 -0.00 0.00 0.00 57.70 55.34 2uwq n MET 1 Cb 0.48 -0.31 -0.13 0.00 -0.00 0.00 0.00 33.22 33.26 2uwq n MET 1 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 2uwq s MET 2 N -1.21 2.01 0.46 3.17 1.00 -1.26 -5.10 119.30 118.36 2uwq s MET 2 Ca 0.18 -2.75 -0.23 0.00 0.00 0.00 0.00 55.69 52.88 2uwq s MET 2 Cb 0.32 -3.18 -0.07 0.00 0.00 0.00 0.00 34.83 31.90 2uwq s MET 2 CO -0.09 -1.18 1.20 -1.25 0.00 0.00 0.00 175.02 173.71 2uwq s PRO 3 N -0.56 3.74 0.04 2.03 0.04 -1.26 -5.04 135.00 134.00 2uwq s PRO 3 Ca 0.20 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 63.11 2uwq s PRO 3 Cb -0.19 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.90 2uwq s PRO 3 CO -0.05 -0.59 0.06 -1.33 0.04 0.00 0.00 177.00 175.12 2uwq n MET 4 N -0.43 0.08 -3.77 4.56 2.81 -1.26 -5.11 117.12 114.02 2uwq n MET 4 Ca 0.07 -0.32 -0.09 0.00 -1.81 0.00 0.00 57.70 55.55 2uwq n MET 4 Cb 0.47 0.31 -0.04 0.00 -0.71 0.00 0.00 33.22 33.25 2uwq n MET 4 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 2uwq s PHE 5 N -5.00 -0.07 0.00 2.03 -0.71 -1.26 -2.91 117.98 110.07 2uwq s PHE 5 Ca 0.03 -0.28 0.05 0.00 -1.04 0.00 0.00 56.93 55.69 2uwq s PHE 5 Cb -0.00 0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 2uwq s PHE 5 CO 0.02 -0.91 -0.17 -1.17 -1.34 0.00 0.00 175.22 171.65 2uwq s LEU 6 N -2.89 2.08 -0.35 -1.99 0.20 -0.80 -4.96 118.68 109.98 2uwq s LEU 6 Ca 0.10 -0.36 -0.11 0.00 0.69 0.00 0.00 54.13 54.46 2uwq s LEU 6 Cb -0.01 -0.83 0.01 0.00 -0.43 0.00 0.00 46.19 44.94 2uwq s LEU 6 CO -0.02 0.17 0.19 -0.89 -0.29 0.00 0.00 176.35 175.51 2uwq s THR 7 N -0.53 4.68 0.43 3.68 2.01 -1.26 -1.50 115.64 123.15 2uwq s THR 7 Ca 0.06 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 2uwq s THR 7 Cb -0.07 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 2uwq s THR 7 CO 0.00 -0.09 0.69 -0.69 -0.69 0.00 0.00 174.62 173.84 2uwq s VAL 8 N 1.60 4.98 -0.15 3.82 1.01 0.39 -1.23 120.40 130.83 2uwq s VAL 8 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 2uwq s VAL 8 Cb -0.18 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2uwq s VAL 8 CO 0.07 -0.73 -0.09 -0.31 0.00 0.00 0.00 175.10 174.04 2uwq s TYR 9 N -2.57 2.90 0.02 5.22 1.51 0.43 0.13 117.35 125.00 2uwq s TYR 9 Ca 0.45 -0.56 -0.01 0.00 -1.01 0.00 0.00 57.07 55.94 2uwq s TYR 9 Cb -0.10 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 2uwq s TYR 9 CO 0.41 -0.19 0.15 -0.51 -1.11 0.00 0.00 175.55 174.30 2uwq s LEU 10 N 0.48 4.18 -0.34 -1.29 1.43 0.14 -2.21 118.68 121.06 2uwq s LEU 10 Ca -0.07 0.23 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 2uwq s LEU 10 Cb -0.15 -2.60 -0.11 0.00 0.03 0.00 0.00 46.19 43.36 2uwq s LEU 10 CO 0.04 0.23 1.24 -0.24 0.23 0.00 0.00 176.35 177.85 2uwq n SER 11 N 0.78 0.34 0.00 2.29 2.88 -1.26 -4.34 113.62 114.31 2uwq n SER 11 Ca -0.10 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2uwq n SER 11 Cb 0.52 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 2uwq n SER 11 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2uwq n ASN 12 N 4.51 0.00 -3.27 -3.46 4.05 -1.26 -4.89 115.26 110.93 2uwq n ASN 12 Ca 0.31 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.96 2uwq n ASN 12 Cb -0.01 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.01 2uwq n ASN 12 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2uwq n ASN 13 N 0.13 7.44 -1.64 1.20 2.85 -1.26 -4.74 115.26 119.23 2uwq n ASN 13 Ca 0.00 -3.53 -0.18 0.00 -0.11 0.00 0.00 54.58 50.75 2uwq n ASN 13 Cb 0.00 -1.20 -0.07 0.00 1.24 0.00 0.00 39.78 39.75 2uwq n ASN 13 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2uwq n GLU 14 N 0.36 -1.46 -0.00 1.20 1.02 -1.26 -4.76 120.64 115.74 2uwq n GLU 14 Ca 0.52 1.06 0.00 0.00 -0.02 0.00 0.00 57.16 58.72 2uwq n GLU 14 Cb 0.29 -5.44 -0.00 0.00 -0.02 0.00 0.00 31.44 26.27 2uwq n GLU 14 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2uwq n GLN 15 N -2.31 5.50 -3.62 3.49 7.27 -1.26 -4.96 117.38 121.49 2uwq n GLN 15 Ca -0.19 -0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.51 2uwq n GLN 15 Cb 0.61 -0.61 -0.11 0.00 2.41 0.00 0.00 30.24 32.54 2uwq n GLN 15 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2uwq s HIS 16 N -1.22 3.23 0.07 3.69 2.46 -1.26 -5.04 115.29 117.22 2uwq s HIS 16 Ca 0.00 0.11 -0.05 0.00 0.47 0.00 0.00 55.06 55.58 2uwq s HIS 16 Cb 0.00 -2.34 -0.02 0.00 -0.13 0.00 0.00 32.58 30.09 2uwq s HIS 16 CO 0.01 -0.12 0.10 -0.59 -2.47 0.00 0.00 174.74 171.66 2uwq s PHE 17 N 1.58 0.31 -0.15 3.88 -0.71 -1.25 0.27 117.98 121.90 2uwq s PHE 17 Ca 0.07 -0.79 -0.02 0.00 -1.04 0.00 0.00 56.93 55.15 2uwq s PHE 17 Cb -0.15 -0.20 0.05 0.00 -1.21 0.00 0.00 43.02 41.50 2uwq s PHE 17 CO 0.09 -0.47 0.02 -0.08 -1.34 0.00 0.00 175.22 173.44 2uwq s THR 18 N -3.89 0.45 0.19 -4.49 -1.32 0.36 -4.85 115.64 102.09 2uwq s THR 18 Ca 0.06 -0.30 -0.06 0.00 -1.21 0.00 0.00 61.69 60.18 2uwq s THR 18 Cb 0.06 -0.84 -0.06 0.00 -1.51 0.00 0.00 72.50 70.15 2uwq s THR 18 CO -0.11 -0.04 0.44 -1.83 -2.21 0.00 0.00 174.62 170.88 2uwq s GLU 19 N 1.91 3.66 -0.23 7.08 -1.05 -1.26 -0.46 118.70 128.35 2uwq s GLU 19 Ca 0.01 0.00 -0.21 0.00 -0.15 0.00 0.00 54.97 54.63 2uwq s GLU 19 Cb -0.15 -2.77 0.06 0.00 -0.44 0.00 0.00 34.13 30.83 2uwq s GLU 19 CO -0.07 0.39 0.62 0.14 0.95 0.00 0.00 175.26 177.29 2uwq s VAL 20 N -1.77 -0.00 0.13 1.83 -7.23 -0.56 -4.96 120.40 107.84 2uwq s VAL 20 Ca 0.43 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.43 2uwq s VAL 20 Cb -0.12 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 35.89 2uwq s VAL 20 CO 0.25 0.00 0.58 -2.16 -0.31 0.00 0.00 175.10 173.46 2uwq s PRO 21 N 0.40 4.12 0.31 4.82 0.04 -1.26 -1.91 135.00 141.51 2uwq s PRO 21 Ca -0.01 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 61.62 2uwq s PRO 21 Cb -0.04 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2uwq s PRO 21 CO -0.00 0.53 0.47 0.14 0.04 0.00 0.00 177.00 178.19 2uwq s VAL 22 N -1.32 0.00 0.41 -0.36 -7.23 -1.15 -5.01 120.40 105.74 2uwq s VAL 22 Ca 0.35 -1.52 0.08 0.00 -1.81 0.00 0.00 61.98 59.07 2uwq s VAL 22 Cb -0.17 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 2uwq s VAL 22 CO 0.19 0.00 0.28 0.42 -0.31 0.00 0.00 175.10 175.68 2uwq s THR 23 N -3.39 2.56 -1.43 5.32 -4.23 -1.26 -4.33 115.64 108.88 2uwq s THR 23 Ca 0.27 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 2uwq s THR 23 Cb -0.00 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.83 2uwq s THR 23 CO 0.15 -0.02 0.33 -2.65 -0.54 0.00 0.00 174.62 171.90 2uwq n PRO 24 N -1.39 0.46 -0.12 3.99 -0.02 -1.26 -2.89 135.00 133.78 2uwq n PRO 24 Ca 0.01 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.27 2uwq n PRO 24 Cb 0.63 -1.13 -0.09 0.00 -0.02 0.00 0.00 33.50 32.89 2uwq n PRO 24 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2uwq n GLU 25 N -0.06 0.56 -2.70 -0.52 4.71 -1.26 -4.87 120.64 116.50 2uwq n GLU 25 Ca 0.00 0.36 -0.38 0.00 -0.01 0.00 0.00 57.16 57.13 2uwq n GLU 25 Cb 0.07 -1.57 -0.06 0.00 -1.01 0.00 0.00 31.44 28.87 2uwq n GLU 25 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2uwq s THR 26 N -2.51 4.02 -0.03 2.62 -4.23 -1.14 -5.01 115.64 109.35 2uwq s THR 26 Ca -0.33 1.78 -0.00 0.00 -1.18 0.00 0.00 61.69 61.96 2uwq s THR 26 Cb 0.10 -4.03 0.03 0.00 1.34 0.00 0.00 72.50 69.93 2uwq s THR 26 CO 0.49 0.24 0.02 0.27 -0.54 0.00 0.00 174.62 175.09 2uwq s ILE 27 N -1.46 0.03 0.00 2.99 -5.25 -1.26 -4.16 121.20 112.10 2uwq s ILE 27 Ca 0.48 0.19 0.00 0.00 -0.99 0.00 0.00 60.65 60.34 2uwq s ILE 27 Cb -0.23 -0.17 0.00 0.00 2.95 0.00 0.00 42.46 45.01 2uwq s ILE 27 CO 0.28 0.13 0.00 0.00 -1.79 0.00 0.00 174.94 173.56 2uwq h ARG 29 N 0.00 0.26 -0.01 0.00 3.08 -1.89 -2.18 114.38 113.64 2uwq h ARG 29 Ca 0.00 -0.44 -0.18 0.00 0.07 0.00 0.00 59.98 59.43 2uwq h ARG 29 Cb 0.34 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2uwq h ARG 29 CO 0.00 1.21 -0.80 -0.44 -1.07 0.00 0.00 179.97 178.87 2uwq h ASP 30 N -0.29 0.18 0.25 7.04 3.45 -1.96 0.20 116.42 125.29 2uwq h ASP 30 Ca -0.29 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.02 2uwq h ASP 30 Cb 1.77 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 40.48 2uwq h ASP 30 CO 0.08 0.91 -0.12 0.58 -1.57 0.00 0.00 179.24 179.12 2uwq h VAL 31 N 0.09 0.80 0.01 -1.35 2.07 -1.91 -1.42 116.25 114.54 2uwq h VAL 31 Ca -0.03 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2uwq h VAL 31 Cb 1.40 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2uwq h VAL 31 CO 0.12 0.07 -0.00 0.58 0.02 0.00 0.00 177.57 178.36 2uwq h VAL 32 N -0.50 1.53 -1.00 2.57 2.07 -1.43 -1.36 116.25 118.13 2uwq h VAL 32 Ca -0.03 -1.62 0.20 0.00 0.82 0.00 0.00 66.70 66.07 2uwq h VAL 32 Cb 0.38 2.62 -0.10 0.00 -1.52 0.00 0.00 31.29 32.66 2uwq h VAL 32 CO 0.06 0.42 0.62 -0.78 0.02 0.00 0.00 177.57 177.90 2uwq h ASP 33 N -0.71 0.70 0.47 0.57 -0.00 -0.67 -0.12 116.42 116.66 2uwq h ASP 33 Ca -0.00 0.09 -0.30 0.00 -0.00 0.00 0.00 57.03 56.82 2uwq h ASP 33 Cb 0.69 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 39.97 2uwq h ASP 33 CO 0.00 0.23 -1.56 -0.07 -0.00 0.00 0.00 179.24 177.84 2uwq h LEU 34 N 0.67 0.29 -3.49 2.28 3.38 -1.32 -3.33 115.31 113.79 2uwq h LEU 34 Ca 0.58 -0.44 -0.39 0.00 0.09 0.00 0.00 57.88 57.71 2uwq h LEU 34 Cb 1.02 -0.10 -0.23 0.00 0.09 0.00 0.00 40.66 41.45 2uwq h LEU 34 CO -0.36 1.37 0.50 0.00 0.09 0.00 0.00 178.44 180.04 2uwq n LYS 36 N -0.70 0.95 0.00 0.00 5.02 -0.15 -4.89 118.16 118.40 2uwq n LYS 36 Ca 0.44 -2.47 0.00 0.00 -2.02 0.00 0.00 58.31 54.26 2uwq n LYS 36 Cb 1.34 0.34 0.00 0.00 -0.02 0.00 0.00 35.03 36.69 2uwq n LYS 36 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2uwq n GLU 37 N -1.32 0.00 0.17 1.97 1.02 -1.26 -4.96 120.64 116.25 2uwq n GLU 37 Ca -0.04 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.15 2uwq n GLU 37 Cb 0.45 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 32.03 2uwq n GLU 37 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2uwq h PRO 38 N 0.00 0.00 -3.42 3.49 0.13 -2.02 -3.48 132.00 126.70 2uwq h PRO 38 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2uwq h PRO 38 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2uwq h PRO 38 CO 0.00 0.39 -0.01 0.41 -0.23 0.00 0.00 178.00 178.57 2uwq n GLY 39 N 0.86 -0.49 3.92 1.56 0.00 -1.26 -5.06 105.19 104.72 2uwq n GLY 39 Ca 0.01 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 2uwq n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uwq s GLU 40 N -2.88 3.54 0.23 1.61 -6.30 -1.26 -5.10 118.70 108.55 2uwq s GLU 40 Ca 0.00 -0.27 -0.10 0.00 -2.50 0.00 0.00 54.97 52.10 2uwq s GLU 40 Cb -0.00 -2.79 -0.07 0.00 0.00 0.00 0.00 34.13 31.27 2uwq s GLU 40 CO 0.13 0.35 0.56 0.45 0.02 0.00 0.00 175.26 176.77 2uwq s SER 41 N -3.23 6.64 -0.58 -1.70 0.15 -1.26 -4.57 113.70 109.15 2uwq s SER 41 Ca 0.40 0.95 -0.05 0.00 0.70 0.00 0.00 55.95 57.95 2uwq s SER 41 Cb -0.11 -2.24 0.01 0.00 -1.71 0.00 0.00 66.02 61.97 2uwq s SER 41 CO 0.30 -0.08 0.61 -0.67 1.20 0.00 0.00 173.24 174.60 2uwq n ASP 42 N -0.12 -7.34 -4.59 5.45 4.64 -1.26 -4.82 116.55 108.51 2uwq n ASP 42 Ca 0.01 0.12 -0.29 0.00 -1.38 0.00 0.00 54.79 53.25 2uwq n ASP 42 Cb 0.52 -4.97 -0.09 0.00 -1.04 0.00 0.00 41.12 35.54 2uwq n ASP 42 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2uwq s HIS 44 N -1.38 0.32 -0.04 0.00 -0.00 -1.26 -4.73 115.29 108.21 2uwq s HIS 44 Ca 0.23 -0.75 -0.00 0.00 -0.00 0.00 0.00 55.06 54.53 2uwq s HIS 44 Cb -0.10 -0.22 -0.03 0.00 -0.00 0.00 0.00 32.58 32.22 2uwq s HIS 44 CO 0.15 -0.42 0.01 -1.17 -0.00 0.00 0.00 174.74 173.31 2uwq s LEU 45 N -2.64 3.58 0.15 5.38 2.96 -0.65 -2.00 118.68 125.46 2uwq s LEU 45 Ca 0.02 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.07 2uwq s LEU 45 Cb 0.04 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2uwq s LEU 45 CO -0.09 0.32 0.03 0.00 -1.32 0.00 0.00 176.35 175.30 2uwq s ALA 46 N -1.00 3.31 -0.22 5.97 0.00 0.98 0.84 121.76 131.64 2uwq s ALA 46 Ca 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2uwq s ALA 46 Cb -0.11 -1.13 0.05 0.00 0.00 0.00 0.00 23.12 21.93 2uwq s ALA 46 CO 0.07 0.55 -0.06 -1.83 0.00 0.00 0.00 175.76 174.49 2uwq s GLU 47 N -2.81 1.63 -0.11 0.00 -1.05 0.48 -1.74 118.70 115.09 2uwq s GLU 47 Ca 0.28 -0.87 0.02 0.00 -0.15 0.00 0.00 54.97 54.25 2uwq s GLU 47 Cb -0.10 -2.46 0.01 0.00 -0.44 0.00 0.00 34.13 31.14 2uwq s GLU 47 CO 0.20 -0.55 -0.17 0.08 0.95 0.00 0.00 175.26 175.77 2uwq s VAL 48 N 1.45 1.62 -0.11 1.83 1.01 -0.69 0.38 120.40 125.88 2uwq s VAL 48 Ca -0.04 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2uwq s VAL 48 Cb -0.18 -1.46 0.06 0.00 0.00 0.00 0.00 36.38 34.80 2uwq s VAL 48 CO -0.07 0.46 0.23 -1.66 0.00 0.00 0.00 175.10 174.07 2uwq s TRP 49 N 0.87 -0.34 -1.51 5.22 -2.14 0.20 -0.67 118.94 120.57 2uwq s TRP 49 Ca -0.08 0.84 -0.04 0.00 2.66 0.00 0.00 56.10 59.47 2uwq s TRP 49 Cb -0.15 -0.07 0.03 0.00 -3.10 0.00 0.00 33.47 30.18 2uwq s TRP 49 CO -0.00 -0.30 0.38 0.00 -2.66 0.00 0.00 176.95 174.36 2uwq n GLY 51 N -2.01 2.03 3.44 0.00 0.00 -1.26 -4.98 105.19 102.41 2uwq n GLY 51 Ca -0.24 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 2uwq n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2uwq s SER 52 N -3.25 6.37 -0.14 1.61 0.01 0.27 -5.01 113.70 113.56 2uwq s SER 52 Ca 0.00 -1.50 -0.04 0.00 1.31 0.00 0.00 55.95 55.72 2uwq s SER 52 Cb 0.00 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2uwq s SER 52 CO 0.00 -1.24 -0.03 -1.83 0.41 0.00 0.00 173.24 170.56 2uwq s GLU 53 N 3.28 3.57 0.03 12.44 -1.05 -1.26 0.60 118.70 136.30 2uwq s GLU 53 Ca 0.25 -0.49 -0.10 0.00 -0.15 0.00 0.00 54.97 54.47 2uwq s GLU 53 Cb -0.13 -2.91 0.01 0.00 -0.44 0.00 0.00 34.13 30.66 2uwq s GLU 53 CO 0.01 0.32 0.22 1.03 0.95 0.00 0.00 175.26 177.79 2uwq s ARG 54 N 0.14 0.67 -0.14 -4.83 3.00 0.16 -4.97 118.95 112.99 2uwq s ARG 54 Ca -0.01 -0.51 -0.29 0.00 0.00 0.00 0.00 55.73 54.92 2uwq s ARG 54 Cb -0.13 0.28 -0.01 0.00 0.00 0.00 0.00 34.95 35.09 2uwq s ARG 54 CO 0.03 -0.19 1.00 -1.25 0.00 0.00 0.00 175.30 174.89 2uwq s PRO 55 N -2.17 4.38 -0.17 3.54 0.04 -1.26 -0.39 135.00 138.97 2uwq s PRO 55 Ca -0.08 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 62.26 2uwq s PRO 55 Cb -0.03 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 2uwq s PRO 55 CO -0.02 -0.39 0.05 0.14 0.04 0.00 0.00 177.00 176.83 2uwq s VAL 56 N 2.29 4.70 0.36 -0.36 -7.23 0.25 -4.89 120.40 115.52 2uwq s VAL 56 Ca 0.47 -0.07 -0.25 0.00 -1.81 0.00 0.00 61.98 60.32 2uwq s VAL 56 Cb -0.17 -3.09 -0.10 0.00 0.56 0.00 0.00 36.38 33.57 2uwq s VAL 56 CO 0.15 0.49 0.98 0.00 -0.31 0.00 0.00 175.10 176.40 2uwq s ALA 57 N 0.16 3.15 -0.56 1.32 0.00 -1.26 -1.63 121.76 122.93 2uwq s ALA 57 Ca 0.04 0.55 0.14 0.00 0.00 0.00 0.00 51.96 52.69 2uwq s ALA 57 Cb -0.12 -3.20 0.72 0.00 0.00 0.00 0.00 23.12 20.51 2uwq s ALA 57 CO 0.01 0.06 1.43 -0.25 0.00 0.00 0.00 175.76 177.01 2uwq n ASP 58 N 0.17 0.34 -1.30 0.00 10.43 -1.26 -1.59 116.55 123.34 2uwq n ASP 58 Ca 0.04 0.64 0.04 0.00 2.57 0.00 0.00 54.79 58.08 2uwq n ASP 58 Cb 0.51 -0.69 0.28 0.00 1.84 0.00 0.00 41.12 43.06 2uwq n ASP 58 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 2uwq n ASN 59 N -1.94 4.18 -4.58 -2.24 6.94 -1.26 -2.78 115.26 113.58 2uwq n ASN 59 Ca -0.00 -3.15 -0.41 0.00 -0.02 0.00 0.00 54.58 51.00 2uwq n ASN 59 Cb 0.06 -0.62 -0.07 0.00 -2.36 0.00 0.00 39.78 36.79 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2uwq s GLU 60 N -2.91 3.76 -0.14 -3.83 0.41 -0.62 -4.91 118.70 110.45 2uwq s GLU 60 Ca 0.47 0.10 -0.38 0.00 -0.41 0.00 0.00 54.97 54.74 2uwq s GLU 60 Cb 0.38 -3.78 -0.15 0.00 -1.78 0.00 0.00 34.13 28.80 2uwq s GLU 60 CO 0.10 -0.64 1.64 0.54 -0.49 0.00 0.00 175.26 176.40 2uwq n ARG 61 N 5.90 1.29 0.00 1.61 3.00 -1.26 -4.26 116.66 122.94 2uwq n ARG 61 Ca -0.02 0.47 0.00 0.00 -0.01 0.00 0.00 57.85 58.29 2uwq n ARG 61 Cb 0.49 -2.16 0.00 0.00 0.00 0.00 0.00 32.46 30.78 2uwq n ARG 61 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 2uwq n MET 62 N 4.61 0.00 -0.34 5.56 1.56 -1.26 0.13 117.12 127.38 2uwq n MET 62 Ca 0.23 0.44 0.15 0.00 -0.27 0.00 0.00 57.70 58.25 2uwq n MET 62 Cb 0.17 -0.80 0.35 0.00 2.15 0.00 0.00 33.22 35.09 2uwq n MET 62 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 2uwq h PHE 63 N 0.00 1.01 -0.70 1.12 0.04 -1.90 0.31 116.94 116.81 2uwq h PHE 63 Ca 0.00 0.04 0.10 0.00 2.80 0.00 0.00 57.97 60.90 2uwq h PHE 63 Cb 0.00 -0.29 -0.07 0.00 2.20 0.00 0.00 35.95 37.79 2uwq h PHE 63 CO -0.16 0.13 0.34 0.22 -0.60 0.00 0.00 178.31 178.24 2uwq h ASP 64 N 0.65 0.43 0.30 2.17 -0.00 0.09 0.70 116.42 120.75 2uwq h ASP 64 Ca 0.61 0.07 -0.11 0.00 -0.00 0.00 0.00 57.03 57.60 2uwq h ASP 64 Cb 1.06 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.37 2uwq h ASP 64 CO -0.44 0.24 -0.43 0.58 -0.00 0.00 0.00 179.24 179.19 2uwq h VAL 65 N 0.57 1.32 0.00 2.25 2.07 0.46 -2.29 116.25 120.63 2uwq h VAL 65 Ca 0.35 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2uwq h VAL 65 Cb 0.39 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2uwq h VAL 65 CO -0.28 0.46 0.00 0.18 0.02 0.00 0.00 177.57 177.95 2uwq n LEU 66 N -4.01 0.22 0.03 2.57 4.32 0.14 -3.15 117.00 117.12 2uwq n LEU 66 Ca -0.02 0.53 -0.00 0.00 -0.02 0.00 0.00 56.01 56.50 2uwq n LEU 66 Cb 0.48 -0.47 -0.08 0.00 -1.62 0.00 0.00 43.42 41.73 2uwq n LEU 66 CO 0.41 -0.14 -0.28 1.56 -1.22 0.00 0.00 177.39 177.72 2uwq h GLN 67 N 0.00 0.00 -0.00 3.23 4.20 0.75 -3.35 115.11 119.93 2uwq h GLN 67 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2uwq h GLN 67 Cb 0.48 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2uwq h GLN 67 CO 0.00 0.30 -0.56 0.07 -0.67 0.00 0.00 178.83 177.97 2uwq h ARG 68 N 0.00 0.00 -0.53 1.46 -0.00 -1.49 -3.00 114.38 110.83 2uwq h ARG 68 Ca -0.16 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.77 2uwq h ARG 68 Cb 1.59 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.54 2uwq h ARG 68 CO 0.05 0.56 0.15 0.74 -0.00 0.00 0.00 179.97 181.46 2uwq h PHE 69 N 0.00 0.82 0.00 4.08 0.04 -1.70 -3.49 116.94 116.69 2uwq h PHE 69 Ca -0.01 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2uwq h PHE 69 Cb 0.99 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.89 2uwq h PHE 69 CO 0.00 0.68 0.00 0.41 -0.60 0.00 0.00 178.31 178.80 2uwq n GLY 70 N -0.92 0.39 0.19 -1.45 0.00 -1.13 -4.70 105.19 97.57 2uwq n GLY 70 Ca 0.04 -2.05 0.03 0.00 0.00 0.00 0.00 46.02 44.04 2uwq n GLY 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2uwq h SER 71 N 0.00 0.00 -2.00 1.61 0.87 -1.91 -3.37 113.55 108.75 2uwq h SER 71 Ca 0.00 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.89 2uwq h SER 71 Cb 0.00 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 61.81 2uwq h SER 71 CO 0.00 0.35 1.09 -1.10 -0.53 0.00 0.00 176.83 176.64 2uwq s GLN 72 N -4.15 3.64 0.20 2.24 -1.52 -1.26 -4.78 119.66 114.03 2uwq s GLN 72 Ca -0.03 -1.65 0.19 0.00 -1.95 0.00 0.00 55.36 51.93 2uwq s GLN 72 Cb 0.14 -5.06 0.01 0.00 -0.22 0.00 0.00 33.01 27.88 2uwq s GLN 72 CO 0.71 -1.90 1.11 0.07 -0.25 0.00 0.00 175.29 175.03 2uwq h ARG 73 N 8.94 0.00 -0.84 2.91 0.11 -1.83 -3.31 114.38 120.36 2uwq h ARG 73 Ca 0.19 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.06 2uwq h ARG 73 Cb 1.01 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.96 2uwq h ARG 73 CO 1.21 0.18 0.26 0.09 0.10 0.00 0.00 179.97 181.81 2uwq n ASN 74 N -2.90 4.12 -0.03 0.08 3.02 -1.26 -3.89 115.26 114.40 2uwq n ASN 74 Ca -0.02 -2.99 0.01 0.00 -0.03 0.00 0.00 54.58 51.55 2uwq n ASN 74 Cb 0.67 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 2uwq n ASN 74 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2uwq n GLU 75 N -0.16 4.43 -3.19 3.52 4.07 -1.25 -5.05 120.64 123.01 2uwq n GLU 75 Ca 0.34 -0.17 -0.23 0.00 -0.06 0.00 0.00 57.16 57.04 2uwq n GLU 75 Cb 1.21 -0.73 -0.00 0.00 -0.06 0.00 0.00 31.44 31.85 2uwq n GLU 75 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2uwq s VAL 76 N -0.98 4.61 0.01 6.31 0.11 -1.25 -4.05 120.40 125.16 2uwq s VAL 76 Ca 0.02 -0.47 0.03 0.00 -2.93 0.00 0.00 61.98 58.63 2uwq s VAL 76 Cb 0.02 -3.69 -0.01 0.00 -1.53 0.00 0.00 36.38 31.17 2uwq s VAL 76 CO 0.09 -0.47 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.15 2uwq s ARG 77 N -4.42 0.82 -0.08 1.54 0.52 0.15 -4.92 118.95 112.56 2uwq s ARG 77 Ca 0.44 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.17 2uwq s ARG 77 Cb -0.10 -0.79 -0.03 0.00 0.52 0.00 0.00 34.95 34.56 2uwq s ARG 77 CO 0.37 0.21 -0.09 -0.06 0.02 0.00 0.00 175.30 175.74 2uwq s PHE 78 N -0.47 2.87 -0.03 -0.53 0.08 -0.36 -1.71 117.98 117.82 2uwq s PHE 78 Ca 0.02 -0.17 -0.03 0.00 0.12 0.00 0.00 56.93 56.87 2uwq s PHE 78 Cb -0.05 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.66 2uwq s PHE 78 CO 0.00 0.16 0.08 -0.06 -0.10 0.00 0.00 175.22 175.30 2uwq s PHE 79 N -0.45 -0.09 -0.18 0.36 0.08 -0.71 0.16 117.98 117.15 2uwq s PHE 79 Ca 0.06 0.22 -0.17 0.00 0.12 0.00 0.00 56.93 57.16 2uwq s PHE 79 Cb -0.12 0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 42.31 2uwq s PHE 79 CO 0.02 -0.05 0.47 -1.17 -0.10 0.00 0.00 175.22 174.39 2uwq s LEU 80 N 0.10 4.18 -0.51 -0.37 2.96 -0.94 -0.01 118.68 124.09 2uwq s LEU 80 Ca -0.00 0.66 -0.14 0.00 -0.22 0.00 0.00 54.13 54.43 2uwq s LEU 80 Cb -0.01 -2.64 0.12 0.00 0.50 0.00 0.00 46.19 44.16 2uwq s LEU 80 CO -0.00 -0.10 0.44 -0.13 -1.32 0.00 0.00 176.35 175.24 2uwq s ARG 81 N 1.25 2.84 -0.54 1.98 0.52 -0.85 -4.86 118.95 119.28 2uwq s ARG 81 Ca 0.23 -1.68 -0.24 0.00 -0.52 0.00 0.00 55.73 53.51 2uwq s ARG 81 Cb -0.15 -4.17 0.04 0.00 0.52 0.00 0.00 34.95 31.19 2uwq s ARG 81 CO 0.09 -1.25 0.94 -1.01 0.02 0.00 0.00 175.30 174.09 2uwq s HIS 82 N 1.54 2.80 0.00 -0.53 3.76 -1.26 -4.03 115.29 117.57 2uwq s HIS 82 Ca 0.04 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 2uwq s HIS 82 Cb -0.28 -4.07 0.00 0.00 1.11 0.00 0.00 32.58 29.34 2uwq s HIS 82 CO 0.02 -1.33 0.00 -1.91 -0.85 0.00 0.00 174.74 170.67