#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 -0.13 3.76 -0.02 0.00 -1.26 -4.99 105.19 102.55 2uwq n GLY -1 Ca 0.00 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.62 6.84 0.05 1.61 0.01 -1.26 -5.02 113.70 113.32 2uwq s SER 0 Ca 0.10 1.00 -0.30 0.00 1.31 0.00 0.00 55.95 58.06 2uwq s SER 0 Cb -0.04 -2.32 -0.09 0.00 0.21 0.00 0.00 66.02 63.78 2uwq s SER 0 CO 0.13 0.09 1.84 -0.32 0.41 0.00 0.00 173.24 175.38 2uwq s MET 1 N 0.03 4.15 0.04 12.44 -2.45 -1.26 -4.98 119.30 127.27 2uwq s MET 1 Ca 0.28 2.51 -0.03 0.00 -1.25 0.00 0.00 55.69 57.20 2uwq s MET 1 Cb -0.17 -3.89 -0.02 0.00 1.25 0.00 0.00 34.83 32.00 2uwq s MET 1 CO 0.14 -0.88 0.04 0.00 1.05 0.00 0.00 175.02 175.38 2uwq s MET 2 N 3.64 0.53 0.20 4.11 0.00 -1.26 -5.17 119.30 121.35 2uwq s MET 2 Ca 0.82 -0.80 -0.03 0.00 0.00 0.00 0.00 55.69 55.67 2uwq s MET 2 Cb -0.42 0.20 0.05 0.00 0.00 0.00 0.00 34.83 34.66 2uwq s MET 2 CO 0.37 -0.12 0.12 -0.35 0.00 0.00 0.00 175.02 175.04 2uwq n PRO 3 N 0.85 -2.38 -2.12 3.16 -0.04 -1.26 -5.09 135.00 128.12 2uwq n PRO 3 Ca -0.19 -0.20 -0.02 0.00 -0.04 0.00 0.00 63.50 63.05 2uwq n PRO 3 Cb 0.58 -0.26 -0.01 0.00 -0.04 0.00 0.00 33.50 33.78 2uwq n PRO 3 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2uwq n MET 4 N -2.51 0.04 -3.82 0.54 2.81 -1.26 -5.07 117.12 107.85 2uwq n MET 4 Ca 0.02 -0.28 -0.09 0.00 -1.81 0.00 0.00 57.70 55.54 2uwq n MET 4 Cb 0.08 0.24 -0.07 0.00 -0.71 0.00 0.00 33.22 32.76 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 -2.58 0.09 -0.00 2.03 -0.71 -1.26 -2.10 117.98 113.46 2uwq s PHE 5 Ca 0.03 -0.50 0.05 0.00 -1.04 0.00 0.00 56.93 55.48 2uwq s PHE 5 Cb 0.00 0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 2uwq s PHE 5 CO 0.02 -0.59 -0.16 -0.48 -1.34 0.00 0.00 175.22 172.67 2uwq s LEU 6 N -2.86 2.06 -0.40 -1.99 0.05 -0.73 -4.93 118.68 109.89 2uwq s LEU 6 Ca 0.05 -0.33 -0.14 0.00 0.05 0.00 0.00 54.13 53.76 2uwq s LEU 6 Cb 0.04 -0.81 0.02 0.00 -2.05 0.00 0.00 46.19 43.38 2uwq s LEU 6 CO -0.10 0.17 0.28 -0.89 -0.55 0.00 0.00 176.35 175.26 2uwq s THR 7 N -0.47 5.18 0.40 5.48 2.01 -1.26 -1.29 115.64 125.69 2uwq s THR 7 Ca 0.06 -0.62 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 2uwq s THR 7 Cb -0.07 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2uwq s THR 7 CO -0.00 -0.26 0.65 -0.69 -0.69 0.00 0.00 174.62 173.63 2uwq s VAL 8 N 1.67 5.01 -0.13 3.82 1.01 0.68 -1.15 120.40 131.32 2uwq s VAL 8 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 2uwq s VAL 8 Cb -0.19 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2uwq s VAL 8 CO 0.10 -0.67 -0.10 -0.31 0.00 0.00 0.00 175.10 174.12 2uwq s TYR 9 N -2.49 2.88 -0.14 5.22 4.12 0.30 0.21 117.35 127.46 2uwq s TYR 9 Ca 0.44 -0.46 -0.12 0.00 0.02 0.00 0.00 57.07 56.94 2uwq s TYR 9 Cb -0.10 -1.86 -0.05 0.00 -1.52 0.00 0.00 41.96 38.43 2uwq s TYR 9 CO 0.39 -0.10 0.26 -0.51 0.02 0.00 0.00 175.55 175.61 2uwq s LEU 10 N 0.22 4.30 0.00 -1.29 1.02 -0.48 -1.91 118.68 120.55 2uwq s LEU 10 Ca -0.06 0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.61 2uwq s LEU 10 Cb -0.15 -2.30 0.00 0.00 0.02 0.00 0.00 46.19 43.76 2uwq s LEU 10 CO 0.04 0.20 0.00 -0.24 0.02 0.00 0.00 176.35 176.37 2uwq n SER 11 N 3.02 -1.88 -4.52 2.29 2.88 -1.26 -4.30 113.62 109.85 2uwq n SER 11 Ca -0.14 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.12 2uwq n SER 11 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 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 -3.17 0.39 -4.63 -3.46 4.05 -1.26 -4.79 115.26 102.38 2uwq n ASN 12 Ca 0.00 -0.57 -0.50 0.00 0.45 0.00 0.00 54.58 53.96 2uwq n ASN 12 Cb 0.00 -1.07 -0.05 0.00 1.23 0.00 0.00 39.78 39.88 2uwq n ASN 12 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 2uwq n ASN 13 N 11.65 2.35 0.02 1.20 0.23 -1.26 -4.54 115.26 124.90 2uwq n ASN 13 Ca 0.57 1.09 0.00 0.00 -0.53 0.00 0.00 54.58 55.72 2uwq n ASN 13 Cb 0.25 -1.29 0.00 0.00 -2.08 0.00 0.00 39.78 36.66 2uwq n ASN 13 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2uwq n GLU 14 N 3.26 0.00 0.00 -3.83 -0.58 -1.26 -4.98 120.64 113.25 2uwq n GLU 14 Ca 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2uwq n GLU 14 Cb 0.23 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.10 2uwq n GLU 14 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2uwq n GLN 15 N -2.65 0.00 -3.63 3.49 10.64 -1.26 -5.04 117.38 118.93 2uwq n GLN 15 Ca 0.00 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.80 2uwq n GLN 15 Cb 0.00 -0.11 -0.11 0.00 -0.86 0.00 0.00 30.24 29.16 2uwq n GLN 15 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2uwq s HIS 16 N 0.00 3.23 0.07 2.61 2.46 -1.26 -5.05 115.29 117.35 2uwq s HIS 16 Ca 0.00 0.10 -0.06 0.00 0.47 0.00 0.00 55.06 55.57 2uwq s HIS 16 Cb 0.00 -2.34 -0.02 0.00 -0.13 0.00 0.00 32.58 30.10 2uwq s HIS 16 CO 0.00 -0.12 0.10 -0.59 -2.47 0.00 0.00 174.74 171.66 2uwq s PHE 17 N 1.57 0.29 -0.16 3.88 -0.12 -1.26 -1.38 117.98 120.80 2uwq s PHE 17 Ca 0.07 -0.75 -0.02 0.00 -0.05 0.00 0.00 56.93 56.18 2uwq s PHE 17 Cb -0.15 -0.18 0.05 0.00 -0.63 0.00 0.00 43.02 42.10 2uwq s PHE 17 CO 0.09 -0.47 -0.00 -0.08 -0.05 0.00 0.00 175.22 174.70 2uwq s THR 18 N -3.80 0.70 0.22 -4.49 -1.32 0.58 -4.86 115.64 102.67 2uwq s THR 18 Ca 0.05 -0.45 -0.05 0.00 -1.21 0.00 0.00 61.69 60.03 2uwq s THR 18 Cb 0.06 -1.02 -0.06 0.00 -1.51 0.00 0.00 72.50 69.97 2uwq s THR 18 CO -0.10 0.00 0.48 -1.83 -2.21 0.00 0.00 174.62 170.96 2uwq s GLU 19 N 1.80 3.64 -0.17 7.08 4.04 -1.26 -0.23 118.70 133.61 2uwq s GLU 19 Ca 0.01 -0.02 -0.11 0.00 0.04 0.00 0.00 54.97 54.88 2uwq s GLU 19 Cb -0.15 -2.73 0.05 0.00 0.02 0.00 0.00 34.13 31.32 2uwq s GLU 19 CO -0.07 0.33 0.42 0.14 -1.84 0.00 0.00 175.26 174.24 2uwq s VAL 20 N -1.88 -0.02 -0.54 1.83 -7.23 -0.41 -4.95 120.40 107.21 2uwq s VAL 20 Ca 0.43 0.06 -0.23 0.00 -1.81 0.00 0.00 61.98 60.43 2uwq s VAL 20 Cb -0.11 -0.61 0.05 0.00 0.56 0.00 0.00 36.38 36.26 2uwq s VAL 20 CO 0.27 0.03 0.87 -2.16 -0.31 0.00 0.00 175.10 173.79 2uwq s PRO 21 N 1.06 3.28 -0.07 4.82 0.04 -1.26 -1.77 135.00 141.10 2uwq s PRO 21 Ca -0.07 -0.41 0.04 0.00 0.04 0.00 0.00 61.00 60.61 2uwq s PRO 21 Cb -0.07 -4.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.39 2uwq s PRO 21 CO -0.09 -1.42 -0.19 0.54 0.04 0.00 0.00 177.00 175.88 2uwq s VAL 22 N 3.64 2.56 0.59 -0.36 0.11 -0.89 -4.97 120.40 121.08 2uwq s VAL 22 Ca 0.27 -0.88 -0.02 0.00 -2.93 0.00 0.00 61.98 58.42 2uwq s VAL 22 Cb -0.14 -1.99 0.04 0.00 -1.53 0.00 0.00 36.38 32.76 2uwq s VAL 22 CO 0.18 0.57 0.85 0.42 -3.33 0.00 0.00 175.10 173.78 2uwq s THR 23 N -0.21 2.70 -0.90 5.04 -4.23 -1.26 -4.20 115.64 112.58 2uwq s THR 23 Ca -0.01 -0.49 -0.07 0.00 -1.18 0.00 0.00 61.69 59.94 2uwq s THR 23 Cb -0.13 -3.06 -0.06 0.00 1.34 0.00 0.00 72.50 70.58 2uwq s THR 23 CO 0.03 -0.05 2.08 -0.81 -0.54 0.00 0.00 174.62 175.33 2uwq n PRO 24 N -2.52 2.02 0.10 3.99 -0.04 -1.26 -3.32 135.00 133.97 2uwq n PRO 24 Ca 0.07 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 2uwq n PRO 24 Cb 0.60 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 2uwq n PRO 24 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2uwq n GLU 25 N 4.48 0.00 -3.44 0.54 2.13 -1.26 -5.09 120.64 118.00 2uwq n GLU 25 Ca 0.45 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.94 2uwq n GLU 25 Cb 0.16 -0.09 -0.05 0.00 0.27 0.00 0.00 31.44 31.72 2uwq n GLU 25 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2uwq s THR 26 N -2.00 4.96 -0.03 6.31 -4.23 -1.21 -5.05 115.64 114.39 2uwq s THR 26 Ca 0.00 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 2uwq s THR 26 Cb 0.00 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.24 2uwq s THR 26 CO 0.00 -0.01 0.02 0.27 -0.54 0.00 0.00 174.62 174.35 2uwq s ILE 27 N -1.75 0.06 0.00 2.99 -0.00 -1.26 -4.16 121.20 117.08 2uwq s ILE 27 Ca 0.45 0.17 0.00 0.00 -0.00 0.00 0.00 60.65 61.27 2uwq s ILE 27 Cb -0.12 -0.19 0.00 0.00 -0.00 0.00 0.00 42.46 42.15 2uwq s ILE 27 CO 0.21 0.13 0.00 0.00 -0.00 0.00 0.00 174.94 175.28 2uwq h ARG 29 N 0.00 0.38 -0.03 0.00 2.47 -1.90 -2.41 114.38 112.89 2uwq h ARG 29 Ca 0.00 -0.65 -0.11 0.00 -1.26 0.00 0.00 59.98 57.95 2uwq h ARG 29 Cb 0.26 0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 2uwq h ARG 29 CO 0.00 1.31 -0.51 -0.44 0.56 0.00 0.00 179.97 180.89 2uwq h ASP 30 N 0.04 0.09 0.23 7.04 3.32 -1.96 0.42 116.42 125.59 2uwq h ASP 30 Ca -0.33 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2uwq h ASP 30 Cb 2.04 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.57 2uwq h ASP 30 CO 0.17 0.59 -0.11 0.58 -1.72 0.00 0.00 179.24 178.74 2uwq h VAL 31 N 0.07 0.84 -0.04 -1.35 2.07 -1.91 -1.62 116.25 114.31 2uwq h VAL 31 Ca -0.00 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 2uwq h VAL 31 Cb 0.93 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2uwq h VAL 31 CO 0.07 0.11 -0.21 0.58 0.02 0.00 0.00 177.57 178.14 2uwq h VAL 32 N -0.58 1.46 -0.74 2.57 2.07 -1.37 -1.57 116.25 118.09 2uwq h VAL 32 Ca -0.03 -1.68 0.11 0.00 0.82 0.00 0.00 66.70 65.93 2uwq h VAL 32 Cb 0.42 2.43 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 2uwq h VAL 32 CO 0.05 0.47 0.35 0.44 0.02 0.00 0.00 177.57 178.90 2uwq h ASP 33 N -0.33 0.43 0.61 0.57 3.32 -0.25 0.10 116.42 120.87 2uwq h ASP 33 Ca -0.01 0.08 -0.28 0.00 0.02 0.00 0.00 57.03 56.83 2uwq h ASP 33 Cb 0.87 0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.43 2uwq h ASP 33 CO 0.04 0.22 -1.26 -0.07 -1.72 0.00 0.00 179.24 176.45 2uwq h LEU 34 N 0.57 0.45 -3.71 1.55 3.38 -1.36 -3.29 115.31 112.89 2uwq h LEU 34 Ca 0.38 -0.48 -0.42 0.00 0.09 0.00 0.00 57.88 57.45 2uwq h LEU 34 Cb 0.47 -0.14 -0.25 0.00 0.09 0.00 0.00 40.66 40.82 2uwq h LEU 34 CO -0.31 1.38 0.54 0.00 0.09 0.00 0.00 178.44 180.13 2uwq s LYS 36 N -2.85 2.78 0.20 0.00 -0.14 0.32 -4.80 119.74 115.24 2uwq s LYS 36 Ca 0.49 -0.59 0.00 0.00 -1.36 0.00 0.00 55.97 54.52 2uwq s LYS 36 Cb 0.41 -2.65 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 2uwq s LYS 36 CO 0.10 0.64 0.00 -1.91 -0.76 0.00 0.00 175.35 173.42 2uwq n GLU 37 N 1.66 0.00 0.24 1.68 4.07 -1.26 -4.94 120.64 122.09 2uwq n GLU 37 Ca -0.16 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.12 2uwq n GLU 37 Cb 0.53 0.00 0.83 0.00 -0.06 0.00 0.00 31.44 32.74 2uwq n GLU 37 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 2uwq h PRO 38 N 0.00 0.00 -2.52 5.31 0.11 -2.02 -3.45 132.00 129.43 2uwq h PRO 38 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 2uwq h PRO 38 Cb 0.00 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.15 2uwq h PRO 38 CO 0.00 0.00 -0.18 0.41 -0.21 0.00 0.00 178.00 178.02 2uwq n GLY 39 N -1.32 0.43 3.87 -0.55 0.00 -1.26 -5.04 105.19 101.32 2uwq n GLY 39 Ca 0.01 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.89 3.82 -0.08 1.61 2.56 -1.26 -5.08 118.70 115.38 2uwq s GLU 40 Ca 0.08 0.42 -0.02 0.00 0.00 0.00 0.00 54.97 55.45 2uwq s GLU 40 Cb -0.04 -2.49 -0.03 0.00 2.00 0.00 0.00 34.13 33.57 2uwq s GLU 40 CO 0.18 0.12 0.02 -1.54 -0.56 0.00 0.00 175.26 173.48 2uwq s SER 41 N -2.77 5.38 -0.34 -1.70 1.04 -1.26 -4.78 113.70 109.28 2uwq s SER 41 Ca 0.50 0.17 -0.10 0.00 0.48 0.00 0.00 55.95 57.01 2uwq s SER 41 Cb -0.10 -1.54 0.01 0.00 0.10 0.00 0.00 66.02 64.49 2uwq s SER 41 CO 0.25 0.37 0.37 0.47 0.98 0.00 0.00 173.24 175.68 2uwq n ASP 42 N 2.02 -7.11 -4.30 7.02 10.43 -1.26 -4.79 116.55 118.56 2uwq n ASP 42 Ca -0.18 0.68 -0.16 0.00 2.57 0.00 0.00 54.79 57.69 2uwq n ASP 42 Cb 0.54 -4.75 -0.10 0.00 1.84 0.00 0.00 41.12 38.64 2uwq n ASP 42 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2uwq s HIS 44 N -3.37 1.27 0.11 0.00 -3.43 -1.10 -4.75 115.29 104.02 2uwq s HIS 44 Ca 0.24 -0.70 -0.05 0.00 -0.80 0.00 0.00 55.06 53.75 2uwq s HIS 44 Cb 0.04 -0.65 -0.05 0.00 -1.43 0.00 0.00 32.58 30.49 2uwq s HIS 44 CO 0.06 0.09 0.35 -1.17 -2.00 0.00 0.00 174.74 172.07 2uwq s LEU 45 N -2.92 4.30 0.15 5.38 2.96 -0.50 -1.54 118.68 126.51 2uwq s LEU 45 Ca 0.13 0.59 0.07 0.00 -0.22 0.00 0.00 54.13 54.71 2uwq s LEU 45 Cb 0.00 -3.14 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 2uwq s LEU 45 CO 0.01 0.11 -0.04 0.00 -1.32 0.00 0.00 176.35 175.11 2uwq s ALA 46 N -1.55 3.12 -0.15 5.97 0.00 0.10 0.75 121.76 130.00 2uwq s ALA 46 Ca 0.37 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 2uwq s ALA 46 Cb -0.13 -0.96 0.05 0.00 0.00 0.00 0.00 23.12 22.09 2uwq s ALA 46 CO 0.23 0.54 0.07 -1.83 0.00 0.00 0.00 175.76 174.76 2uwq s GLU 47 N -2.70 0.24 -0.09 0.00 -1.05 -0.57 -1.69 118.70 112.85 2uwq s GLU 47 Ca 0.26 -0.10 0.03 0.00 -0.15 0.00 0.00 54.97 55.01 2uwq s GLU 47 Cb -0.10 -1.69 0.01 0.00 -0.44 0.00 0.00 34.13 31.91 2uwq s GLU 47 CO 0.17 -0.60 -0.19 0.54 0.95 0.00 0.00 175.26 176.14 2uwq s VAL 48 N 2.06 1.65 -0.14 1.83 0.11 -0.75 0.36 120.40 125.52 2uwq s VAL 48 Ca 0.02 -0.78 -0.04 0.00 -2.93 0.00 0.00 61.98 58.25 2uwq s VAL 48 Cb -0.16 -1.46 0.07 0.00 -1.53 0.00 0.00 36.38 33.31 2uwq s VAL 48 CO -0.08 0.47 0.24 -1.66 -3.33 0.00 0.00 175.10 170.74 2uwq s TRP 49 N 0.52 -0.35 -1.45 1.54 -2.14 0.21 -0.55 118.94 116.72 2uwq s TRP 49 Ca -0.16 0.71 -0.06 0.00 2.66 0.00 0.00 56.10 59.25 2uwq s TRP 49 Cb -0.17 -0.16 0.01 0.00 -3.10 0.00 0.00 33.47 30.05 2uwq s TRP 49 CO 0.06 -0.41 0.74 0.00 -2.66 0.00 0.00 176.95 174.68 2uwq n GLY 51 N -1.63 1.66 3.41 0.00 0.00 -1.26 -5.00 105.19 102.37 2uwq n GLY 51 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.14 6.18 -0.13 1.61 0.01 -0.51 -5.03 113.70 112.70 2uwq s SER 52 Ca 0.00 -1.24 -0.06 0.00 1.31 0.00 0.00 55.95 55.96 2uwq s SER 52 Cb 0.00 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 2uwq s SER 52 CO 0.00 -1.24 0.08 -0.70 0.41 0.00 0.00 173.24 171.79 2uwq s GLU 53 N 3.24 3.45 0.03 12.44 2.12 -1.26 -0.62 118.70 138.09 2uwq s GLU 53 Ca 0.16 -0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.18 2uwq s GLU 53 Cb -0.21 -3.08 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 2uwq s GLU 53 CO 0.08 0.62 0.05 1.03 -0.54 0.00 0.00 175.26 176.51 2uwq s ARG 54 N -0.61 0.49 0.08 4.30 1.81 0.16 -4.96 118.95 120.21 2uwq s ARG 54 Ca 0.11 -0.70 -0.30 0.00 -1.72 0.00 0.00 55.73 53.12 2uwq s ARG 54 Cb -0.12 0.19 -0.06 0.00 -0.45 0.00 0.00 34.95 34.51 2uwq s ARG 54 CO 0.02 -0.11 1.19 -2.14 -0.68 0.00 0.00 175.30 173.58 2uwq s PRO 55 N -2.20 4.45 -0.10 3.54 0.02 -1.26 -1.51 135.00 137.94 2uwq s PRO 55 Ca -0.09 1.77 -0.02 0.00 0.02 0.00 0.00 61.00 62.68 2uwq s PRO 55 Cb -0.04 -3.34 -0.03 0.00 0.02 0.00 0.00 34.50 31.11 2uwq s PRO 55 CO -0.03 -0.22 -0.02 0.08 -0.33 0.00 0.00 177.00 176.48 2uwq s VAL 56 N 0.89 4.08 -0.08 3.83 1.01 0.23 -4.90 120.40 125.46 2uwq s VAL 56 Ca 0.58 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 2uwq s VAL 56 Cb -0.30 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2uwq s VAL 56 CO 0.30 0.57 0.16 0.00 0.00 0.00 0.00 175.10 176.12 2uwq s ALA 57 N -0.47 3.90 -0.69 5.51 0.00 -1.26 -1.41 121.76 127.34 2uwq s ALA 57 Ca 0.08 -0.69 0.11 0.00 0.00 0.00 0.00 51.96 51.46 2uwq s ALA 57 Cb -0.12 -1.93 0.56 0.00 0.00 0.00 0.00 23.12 21.63 2uwq s ALA 57 CO 0.02 0.67 1.35 -0.25 0.00 0.00 0.00 175.76 177.55 2uwq n ASP 58 N 1.57 0.25 -1.35 0.00 10.43 -1.26 -1.45 116.55 124.73 2uwq n ASP 58 Ca -0.16 0.60 0.04 0.00 2.57 0.00 0.00 54.79 57.83 2uwq n ASP 58 Cb 0.54 -0.64 0.29 0.00 1.84 0.00 0.00 41.12 43.15 2uwq n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 2uwq n ASN 59 N -1.82 4.27 -4.62 -2.24 2.85 -1.26 -3.75 115.26 108.68 2uwq n ASN 59 Ca 0.00 -3.14 -0.37 0.00 -0.11 0.00 0.00 54.58 50.96 2uwq n ASN 59 Cb 0.06 -0.63 -0.10 0.00 1.24 0.00 0.00 39.78 40.35 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2uwq s GLU 60 N -2.91 4.00 0.36 1.20 0.41 -0.53 -4.94 118.70 116.30 2uwq s GLU 60 Ca 0.48 -0.30 -0.28 0.00 -0.41 0.00 0.00 54.97 54.45 2uwq s GLU 60 Cb 0.39 -3.58 -0.11 0.00 -1.78 0.00 0.00 34.13 29.04 2uwq s GLU 60 CO 0.10 -0.05 1.48 0.54 -0.49 0.00 0.00 175.26 176.83 2uwq n ARG 61 N 4.64 2.61 0.00 1.61 1.74 -1.26 -3.29 116.66 122.72 2uwq n ARG 61 Ca -0.15 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 2uwq n ARG 61 Cb 0.52 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 2uwq n ARG 61 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 2uwq n MET 62 N 0.64 0.00 -0.14 5.56 0.00 -1.26 0.63 117.12 122.56 2uwq n MET 62 Ca 0.02 0.53 0.09 0.00 -0.00 0.00 0.00 57.70 58.35 2uwq n MET 62 Cb 0.38 -0.90 0.43 0.00 0.00 0.00 0.00 33.22 33.13 2uwq n MET 62 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 2uwq h PHE 63 N 0.00 0.60 -0.76 1.12 0.04 -1.91 0.15 116.94 116.18 2uwq h PHE 63 Ca 0.00 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.88 2uwq h PHE 63 Cb 0.00 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 37.90 2uwq h PHE 63 CO -0.30 0.30 0.50 -0.44 -0.60 0.00 0.00 178.31 177.76 2uwq h ASP 64 N 0.57 0.62 1.08 2.17 5.19 -0.19 0.58 116.42 126.44 2uwq h ASP 64 Ca 0.30 0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.55 2uwq h ASP 64 Cb 0.43 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 2uwq h ASP 64 CO -0.10 0.38 -0.84 0.58 -3.12 0.00 0.00 179.24 176.14 2uwq h VAL 65 N 0.70 1.48 -0.00 -1.35 2.07 0.21 -3.13 116.25 116.24 2uwq h VAL 65 Ca 0.34 -3.00 0.00 0.00 0.82 0.00 0.00 66.70 64.86 2uwq h VAL 65 Cb 0.42 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2uwq h VAL 65 CO -0.12 0.82 -0.00 -0.11 0.02 0.00 0.00 177.57 178.17 2uwq n LEU 66 N -3.36 0.01 0.11 2.57 7.94 0.11 -3.31 117.00 121.05 2uwq n LEU 66 Ca 0.00 0.47 0.07 0.00 -1.11 0.00 0.00 56.01 55.44 2uwq n LEU 66 Cb 0.86 -0.47 0.01 0.00 0.53 0.00 0.00 43.42 44.34 2uwq n LEU 66 CO 0.45 0.00 0.13 -0.61 -1.11 0.00 0.00 177.39 176.25 2uwq h GLN 67 N 0.00 0.00 -0.00 1.96 5.75 0.00 -3.34 115.11 119.48 2uwq h GLN 67 Ca 0.00 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.34 2uwq h GLN 67 Cb 0.47 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 2uwq h GLN 67 CO 0.00 0.14 -0.74 0.07 -2.65 0.00 0.00 178.83 175.65 2uwq h ARG 68 N 0.00 0.01 -0.23 1.69 0.11 -1.65 -3.10 114.38 111.21 2uwq h ARG 68 Ca -0.04 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 59.98 2uwq h ARG 68 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 2uwq h ARG 68 CO 0.02 0.75 -0.05 0.74 0.10 0.00 0.00 179.97 181.53 2uwq h PHE 69 N 0.01 0.36 0.00 4.08 0.04 -1.72 -3.49 116.94 116.22 2uwq h PHE 69 Ca -0.01 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2uwq h PHE 69 Cb 1.32 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.36 2uwq h PHE 69 CO 0.00 0.41 0.00 0.41 -0.60 0.00 0.00 178.31 178.53 2uwq n GLY 70 N -0.94 0.11 2.17 -1.45 0.00 -1.17 -4.69 105.19 99.22 2uwq n GLY 70 Ca 0.00 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 2uwq n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2uwq n SER 71 N 0.00 6.60 -2.53 1.61 7.64 -1.26 -4.28 113.62 121.40 2uwq n SER 71 Ca 0.00 -3.53 -0.04 0.00 1.01 0.00 0.00 58.87 56.31 2uwq n SER 71 Cb 0.00 -0.96 0.05 0.00 -1.01 0.00 0.00 64.21 62.28 2uwq n SER 71 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2uwq n GLN 72 N -0.61 1.99 -0.57 1.43 7.27 -1.26 -5.11 117.38 120.52 2uwq n GLN 72 Ca 0.53 -3.53 -0.30 0.00 0.07 0.00 0.00 57.00 53.76 2uwq n GLN 72 Cb 0.81 -1.63 0.21 0.00 2.41 0.00 0.00 30.24 32.04 2uwq n GLN 72 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2uwq n ARG 73 N -0.55 -2.15 -1.44 3.69 1.85 -1.26 -3.08 116.66 113.72 2uwq n ARG 73 Ca 0.15 -0.61 -0.15 0.00 -1.00 0.00 0.00 57.85 56.24 2uwq n ARG 73 Cb 0.86 -1.88 -0.06 0.00 -1.05 0.00 0.00 32.46 30.33 2uwq n ARG 73 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2uwq n ASN 74 N -3.12 -5.22 0.00 2.89 2.85 -1.26 -4.77 115.26 106.63 2uwq n ASN 74 Ca 0.01 0.37 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 2uwq n ASN 74 Cb 0.59 -4.04 0.00 0.00 1.24 0.00 0.00 39.78 37.56 2uwq n ASN 74 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2uwq n GLU 75 N -2.02 -0.36 -2.90 1.20 4.07 -1.18 -5.07 120.64 114.38 2uwq n GLU 75 Ca -0.15 -0.35 -0.22 0.00 -0.06 0.00 0.00 57.16 56.38 2uwq n GLU 75 Cb 0.56 -0.84 0.02 0.00 -0.06 0.00 0.00 31.44 31.12 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 -0.05 3.56 -0.05 6.31 0.11 -1.26 -4.43 120.40 124.59 2uwq s VAL 76 Ca 0.00 -0.59 0.05 0.00 -2.93 0.00 0.00 61.98 58.51 2uwq s VAL 76 Cb 0.00 -3.31 -0.01 0.00 -1.53 0.00 0.00 36.38 31.53 2uwq s VAL 76 CO 0.00 -0.21 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.23 2uwq s ARG 77 N -4.59 2.10 -0.13 1.54 0.52 0.29 -4.83 118.95 113.84 2uwq s ARG 77 Ca 0.51 -0.72 -0.05 0.00 -0.52 0.00 0.00 55.73 54.96 2uwq s ARG 77 Cb -0.10 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.55 2uwq s ARG 77 CO 0.37 0.28 0.05 -0.06 0.02 0.00 0.00 175.30 175.96 2uwq s PHE 78 N 0.00 3.28 0.00 -0.53 2.99 -0.30 -1.81 117.98 121.61 2uwq s PHE 78 Ca -0.05 0.20 -0.04 0.00 0.00 0.00 0.00 56.93 57.04 2uwq s PHE 78 Cb -0.13 -1.93 -0.01 0.00 0.00 0.00 0.00 43.02 40.96 2uwq s PHE 78 CO 0.03 0.39 0.06 -0.06 -0.00 0.00 0.00 175.22 175.64 2uwq s PHE 79 N -0.42 0.11 -0.29 0.36 0.40 -0.68 0.11 117.98 117.56 2uwq s PHE 79 Ca 0.09 -0.23 -0.18 0.00 -0.60 0.00 0.00 56.93 56.01 2uwq s PHE 79 Cb -0.12 -0.09 -0.02 0.00 0.51 0.00 0.00 43.02 43.30 2uwq s PHE 79 CO 0.02 -0.20 0.53 -1.17 0.70 0.00 0.00 175.22 175.09 2uwq s LEU 80 N -1.15 4.14 -0.06 -0.37 1.98 -0.80 0.01 118.68 122.43 2uwq s LEU 80 Ca -0.13 0.35 0.01 0.00 -2.89 0.00 0.00 54.13 51.47 2uwq s LEU 80 Cb -0.07 -2.66 -0.03 0.00 0.66 0.00 0.00 46.19 44.09 2uwq s LEU 80 CO 0.00 -0.36 -0.05 -0.13 -1.89 0.00 0.00 176.35 173.92 2uwq s ARG 81 N 2.37 2.77 -0.20 1.98 1.81 -0.59 -4.80 118.95 122.30 2uwq s ARG 81 Ca 0.21 -0.55 -0.08 0.00 -1.72 0.00 0.00 55.73 53.59 2uwq s ARG 81 Cb -0.15 -2.62 -0.04 0.00 -0.45 0.00 0.00 34.95 31.68 2uwq s ARG 81 CO 0.11 0.66 0.09 -1.01 -0.68 0.00 0.00 175.30 174.46 2uwq s HIS 82 N -0.88 3.27 0.00 -0.53 3.76 -1.26 -2.72 115.29 116.93 2uwq s HIS 82 Ca 0.14 0.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 2uwq s HIS 82 Cb -0.11 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.45 2uwq s HIS 82 CO 0.03 0.13 0.39 0.39 -0.85 0.00 0.00 174.74 174.82