#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 0.08 3.82 -0.02 0.00 -1.26 -5.15 105.19 102.67 2uwq n GLY -1 Ca 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 2uwq n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uwq s SER 0 N -4.00 -0.12 0.11 1.61 1.04 -1.26 -5.18 113.70 105.90 2uwq s SER 0 Ca 0.00 -0.70 0.08 0.00 0.48 0.00 0.00 55.95 55.81 2uwq s SER 0 Cb 0.00 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 2uwq s SER 0 CO 0.00 -1.24 -0.19 -0.04 0.98 0.00 0.00 173.24 172.75 2uwq s MET 1 N -3.00 1.09 -0.21 4.02 1.00 -1.26 -5.14 119.30 115.81 2uwq s MET 1 Ca 0.15 -1.16 0.01 0.00 0.00 0.00 0.00 55.69 54.68 2uwq s MET 1 Cb -0.04 -1.28 0.04 0.00 0.00 0.00 0.00 34.83 33.56 2uwq s MET 1 CO 0.06 0.29 -0.12 0.00 0.00 0.00 0.00 175.02 175.25 2uwq s MET 2 N -2.02 2.26 0.39 2.03 0.00 -1.26 -5.11 119.30 115.59 2uwq s MET 2 Ca 0.06 -0.94 -0.25 0.00 0.00 0.00 0.00 55.69 54.56 2uwq s MET 2 Cb -0.09 -2.54 -0.12 0.00 0.00 0.00 0.00 34.83 32.08 2uwq s MET 2 CO 0.04 -0.41 0.94 -2.30 0.00 0.00 0.00 175.02 173.29 2uwq n PRO 3 N 4.62 1.23 -4.16 3.16 -0.02 -1.26 -5.01 135.00 133.56 2uwq n PRO 3 Ca -0.16 0.44 -0.23 0.00 -2.02 0.00 0.00 63.50 61.53 2uwq n PRO 3 Cb 0.46 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 31.96 2uwq n PRO 3 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2uwq n MET 4 N 0.33 0.62 -3.88 -0.52 2.81 -1.25 -5.03 117.12 110.20 2uwq n MET 4 Ca 0.10 -3.11 -0.09 0.00 -1.81 0.00 0.00 57.70 52.79 2uwq n MET 4 Cb 0.37 1.66 -0.08 0.00 -0.71 0.00 0.00 33.22 34.47 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 -2.92 0.15 -0.00 2.03 -0.71 -1.26 -0.91 117.98 114.36 2uwq s PHE 5 Ca 0.18 -0.47 0.05 0.00 -1.04 0.00 0.00 56.93 55.65 2uwq s PHE 5 Cb 0.01 -0.09 -0.01 0.00 -1.21 0.00 0.00 43.02 41.72 2uwq s PHE 5 CO 0.13 -0.44 -0.15 -0.48 -1.34 0.00 0.00 175.22 172.93 2uwq s LEU 6 N -2.37 2.06 -0.45 -1.99 0.05 0.23 -4.90 118.68 111.31 2uwq s LEU 6 Ca -0.01 -0.32 -0.18 0.00 0.05 0.00 0.00 54.13 53.67 2uwq s LEU 6 Cb 0.01 -0.78 0.03 0.00 -2.05 0.00 0.00 46.19 43.41 2uwq s LEU 6 CO -0.07 0.17 0.52 -0.89 -0.55 0.00 0.00 176.35 175.53 2uwq s THR 7 N -0.45 4.99 0.37 5.48 2.01 -1.26 -1.08 115.64 125.70 2uwq s THR 7 Ca 0.05 -0.32 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 2uwq s THR 7 Cb -0.06 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 2uwq s THR 7 CO -0.00 -0.55 0.65 -0.69 -0.69 0.00 0.00 174.62 173.34 2uwq s VAL 8 N 2.37 4.96 -0.14 3.82 1.01 0.12 -1.12 120.40 131.42 2uwq s VAL 8 Ca 0.15 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 2uwq s VAL 8 Cb -0.17 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2uwq s VAL 8 CO 0.14 -0.54 -0.10 -0.31 0.00 0.00 0.00 175.10 174.29 2uwq s TYR 9 N -2.36 2.89 -0.00 5.22 1.51 0.32 0.21 117.35 125.15 2uwq s TYR 9 Ca 0.45 -0.51 -0.21 0.00 -1.01 0.00 0.00 57.07 55.79 2uwq s TYR 9 Cb -0.10 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.81 2uwq s TYR 9 CO 0.35 -0.14 0.62 -0.51 -1.11 0.00 0.00 175.55 174.77 2uwq s LEU 10 N 0.34 4.41 0.00 -1.29 1.02 -0.56 -2.03 118.68 120.57 2uwq s LEU 10 Ca -0.08 1.20 0.00 0.00 0.02 0.00 0.00 54.13 55.27 2uwq s LEU 10 Cb -0.15 -2.97 0.00 0.00 0.02 0.00 0.00 46.19 43.09 2uwq s LEU 10 CO 0.05 0.08 0.00 -0.24 0.02 0.00 0.00 176.35 176.25 2uwq n SER 11 N 2.80 -4.52 -2.46 2.29 2.88 -1.26 -3.52 113.62 109.84 2uwq n SER 11 Ca -0.06 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.20 2uwq n SER 11 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 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 -3.08 6.73 -4.89 -3.46 2.85 -1.26 -4.76 115.26 107.40 2uwq n ASN 12 Ca 0.00 -3.33 -0.25 0.00 -0.11 0.00 0.00 54.58 50.89 2uwq n ASN 12 Cb 0.00 -1.16 -0.01 0.00 1.24 0.00 0.00 39.78 39.85 2uwq n ASN 12 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2uwq s ASN 13 N -0.06 4.71 0.00 1.20 2.47 -1.23 -5.06 114.94 116.97 2uwq s ASN 13 Ca 0.54 -1.13 0.00 0.00 0.42 0.00 0.00 52.86 52.69 2uwq s ASN 13 Cb 0.38 0.17 0.00 0.00 -1.45 0.00 0.00 41.25 40.35 2uwq s ASN 13 CO -0.21 -1.00 0.48 -0.62 -3.72 0.00 0.00 177.10 172.04 2uwq n GLU 14 N -1.71 0.04 0.00 0.43 1.02 -1.26 -4.74 120.64 114.42 2uwq n GLU 14 Ca 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 57.16 56.57 2uwq n GLU 14 Cb 0.64 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 2uwq n GLU 14 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2uwq n GLN 15 N -0.09 4.24 -3.63 3.49 1.13 -1.26 -4.99 117.38 116.28 2uwq n GLN 15 Ca 0.00 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.69 2uwq n GLN 15 Cb 0.14 -0.49 -0.11 0.00 0.11 0.00 0.00 30.24 29.89 2uwq n GLN 15 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2uwq s HIS 16 N -0.92 3.24 0.07 1.08 2.46 -1.26 -5.05 115.29 114.90 2uwq s HIS 16 Ca 0.00 0.11 -0.06 0.00 0.47 0.00 0.00 55.06 55.59 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 -0.11 0.10 -0.59 -2.47 0.00 0.00 174.74 171.67 2uwq s PHE 17 N 1.55 0.30 -0.15 3.88 -0.71 -1.26 -1.50 117.98 120.09 2uwq s PHE 17 Ca 0.07 -0.77 -0.01 0.00 -1.04 0.00 0.00 56.93 55.18 2uwq s PHE 17 Cb -0.15 -0.19 0.04 0.00 -1.21 0.00 0.00 43.02 41.51 2uwq s PHE 17 CO 0.09 -0.47 -0.01 -0.08 -1.34 0.00 0.00 175.22 173.41 2uwq s THR 18 N -3.82 0.73 0.23 -4.49 -1.32 0.57 -4.87 115.64 102.67 2uwq s THR 18 Ca 0.05 -0.39 -0.05 0.00 -1.21 0.00 0.00 61.69 60.09 2uwq s THR 18 Cb 0.06 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 70.00 2uwq s THR 18 CO -0.10 0.07 0.48 -1.83 -2.21 0.00 0.00 174.62 171.03 2uwq s GLU 19 N 1.80 3.64 -0.23 7.08 -1.05 -1.26 0.10 118.70 128.78 2uwq s GLU 19 Ca 0.01 -0.02 -0.21 0.00 -0.15 0.00 0.00 54.97 54.60 2uwq s GLU 19 Cb -0.15 -2.73 0.06 0.00 -0.44 0.00 0.00 34.13 30.87 2uwq s GLU 19 CO -0.07 0.33 0.61 0.14 0.95 0.00 0.00 175.26 177.22 2uwq s VAL 20 N -1.89 -0.00 -0.35 1.83 -7.23 -0.24 -4.93 120.40 107.58 2uwq s VAL 20 Ca 0.43 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 60.38 2uwq s VAL 20 Cb -0.11 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 35.98 2uwq s VAL 20 CO 0.27 0.00 0.71 -2.16 -0.31 0.00 0.00 175.10 173.61 2uwq s PRO 21 N 0.34 3.76 0.23 4.82 0.04 -1.26 -0.60 135.00 142.33 2uwq s PRO 21 Ca -0.00 0.25 0.09 0.00 0.04 0.00 0.00 61.00 61.38 2uwq s PRO 21 Cb -0.04 -3.79 -0.05 0.00 0.04 0.00 0.00 34.50 30.66 2uwq s PRO 21 CO 0.01 -0.76 -0.17 0.54 0.04 0.00 0.00 177.00 176.66 2uwq s VAL 22 N 2.88 2.01 0.34 -0.36 0.11 -0.09 -4.93 120.40 120.36 2uwq s VAL 22 Ca 0.28 -2.26 0.10 0.00 -2.93 0.00 0.00 61.98 57.16 2uwq s VAL 22 Cb -0.14 -2.12 -0.06 0.00 -1.53 0.00 0.00 36.38 32.53 2uwq s VAL 22 CO 0.15 -0.51 -0.08 0.42 -3.33 0.00 0.00 175.10 171.75 2uwq s THR 23 N -2.74 2.32 0.09 5.04 -4.23 -1.26 -3.87 115.64 110.98 2uwq s THR 23 Ca 0.25 -2.17 0.20 0.00 -1.18 0.00 0.00 61.69 58.78 2uwq s THR 23 Cb -0.03 -2.66 0.20 0.00 1.34 0.00 0.00 72.50 71.35 2uwq s THR 23 CO 0.10 -0.21 1.56 1.55 -0.54 0.00 0.00 174.62 177.07 2uwq h PRO 24 N 2.00 0.00 0.27 3.99 0.13 -1.98 -1.60 132.00 134.80 2uwq h PRO 24 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 2uwq h PRO 24 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2uwq h PRO 24 CO 0.69 0.00 -0.13 1.49 -0.23 0.00 0.00 178.00 179.83 2uwq h GLU 25 N 0.00 -0.34 -5.98 0.86 4.81 -2.01 -3.43 114.58 108.48 2uwq h GLU 25 Ca 0.00 0.02 -0.61 0.00 -0.13 0.00 0.00 59.36 58.64 2uwq h GLU 25 Cb 0.40 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 2uwq h GLU 25 CO 0.00 -0.15 -0.37 0.95 -0.73 0.00 0.00 179.01 178.71 2uwq s THR 26 N -5.65 5.26 -0.03 0.32 -4.23 -0.60 -5.10 115.64 105.61 2uwq s THR 26 Ca -0.15 0.09 -0.00 0.00 -1.18 0.00 0.00 61.69 60.45 2uwq s THR 26 Cb 0.04 -3.60 0.03 0.00 1.34 0.00 0.00 72.50 70.31 2uwq s THR 26 CO 0.62 0.25 0.02 0.27 -0.54 0.00 0.00 174.62 175.25 2uwq s ILE 27 N -1.42 0.03 0.00 2.99 -0.00 -1.26 -4.22 121.20 117.32 2uwq s ILE 27 Ca 0.32 0.20 0.00 0.00 -0.00 0.00 0.00 60.65 61.17 2uwq s ILE 27 Cb -0.13 -0.17 0.00 0.00 -0.00 0.00 0.00 42.46 42.16 2uwq s ILE 27 CO 0.20 0.12 0.00 0.00 -0.00 0.00 0.00 174.94 175.26 2uwq h ARG 29 N 0.00 0.21 -0.03 0.00 3.08 -1.89 -2.28 114.38 113.47 2uwq h ARG 29 Ca 0.00 -0.36 -0.14 0.00 0.07 0.00 0.00 59.98 59.55 2uwq h ARG 29 Cb 0.27 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2uwq h ARG 29 CO 0.00 1.17 -0.63 -0.44 -1.07 0.00 0.00 179.97 179.00 2uwq h ASP 30 N -0.42 0.13 0.21 7.04 3.45 -1.96 0.18 116.42 125.05 2uwq h ASP 30 Ca -0.27 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.10 2uwq h ASP 30 Cb 1.66 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.39 2uwq h ASP 30 CO 0.04 0.73 -0.10 0.58 -1.57 0.00 0.00 179.24 178.92 2uwq h VAL 31 N 0.08 0.87 -0.09 -1.35 2.07 -1.91 -1.62 116.25 114.30 2uwq h VAL 31 Ca -0.01 -0.49 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 2uwq h VAL 31 Cb 1.13 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2uwq h VAL 31 CO 0.09 0.11 -0.45 0.58 0.02 0.00 0.00 177.57 177.92 2uwq h VAL 32 N -0.53 1.39 -0.98 2.57 2.07 -1.41 -1.45 116.25 117.91 2uwq h VAL 32 Ca -0.03 -1.81 0.09 0.00 0.82 0.00 0.00 66.70 65.77 2uwq h VAL 32 Cb 0.40 2.26 -0.08 0.00 -1.52 0.00 0.00 31.29 32.35 2uwq h VAL 32 CO 0.05 0.54 0.62 0.44 0.02 0.00 0.00 177.57 179.23 2uwq h ASP 33 N 0.02 0.94 0.48 0.57 3.45 -0.71 -0.23 116.42 120.95 2uwq h ASP 33 Ca -0.03 0.03 -0.30 0.00 0.43 0.00 0.00 57.03 57.16 2uwq h ASP 33 Cb 1.10 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.70 2uwq h ASP 33 CO 0.09 0.55 -1.51 -0.07 -1.57 0.00 0.00 179.24 176.73 2uwq h LEU 34 N 1.04 0.35 -3.94 1.55 3.38 -1.34 -3.33 115.31 113.02 2uwq h LEU 34 Ca 0.46 -0.49 -0.56 0.00 0.09 0.00 0.00 57.88 57.38 2uwq h LEU 34 Cb 0.34 -0.11 -0.29 0.00 0.09 0.00 0.00 40.66 40.68 2uwq h LEU 34 CO -0.22 1.41 0.71 0.00 0.09 0.00 0.00 178.44 180.42 2uwq s LYS 36 N -3.36 4.21 1.23 0.00 2.20 -0.13 -4.63 119.74 119.26 2uwq s LYS 36 Ca 0.58 0.03 -0.18 0.00 -0.36 0.00 0.00 55.97 56.04 2uwq s LYS 36 Cb 0.47 -3.46 0.29 0.00 -1.51 0.00 0.00 37.83 33.62 2uwq s LYS 36 CO 0.06 0.16 1.04 -1.21 -0.36 0.00 0.00 175.35 175.05 2uwq s GLU 37 N 0.71 -1.40 0.60 4.03 2.02 -1.26 -4.84 118.70 118.56 2uwq s GLU 37 Ca 0.15 0.24 0.28 0.00 0.02 0.00 0.00 54.97 55.66 2uwq s GLU 37 Cb -0.13 -1.55 1.39 0.00 0.10 0.00 0.00 34.13 33.94 2uwq s GLU 37 CO 0.04 -3.89 1.80 -1.35 0.02 0.00 0.00 175.26 171.88 2uwq h PRO 38 N -2.72 0.00 -0.19 0.39 0.11 -2.02 -3.35 132.00 124.22 2uwq h PRO 38 Ca -0.50 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 2uwq h PRO 38 Cb 1.32 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.28 2uwq h PRO 38 CO 0.40 0.00 -0.12 0.20 -0.21 0.00 0.00 178.00 178.27 2uwq s GLY 39 N -3.79 -1.87 0.01 -0.55 0.00 -1.26 -5.16 107.32 94.70 2uwq s GLY 39 Ca -0.04 0.71 0.07 0.00 0.00 0.00 0.00 44.72 45.46 2uwq s GLY 39 CO 0.52 4.32 -0.21 -0.54 0.00 0.00 0.00 173.10 177.18 2uwq s GLU 40 N 1.14 1.58 0.05 2.90 0.41 -1.26 -5.14 118.70 118.39 2uwq s GLU 40 Ca 0.22 -0.84 0.09 0.00 -0.41 0.00 0.00 54.97 54.03 2uwq s GLU 40 Cb 0.11 -1.61 -0.03 0.00 -1.78 0.00 0.00 34.13 30.83 2uwq s GLU 40 CO -0.11 0.43 -0.26 -1.12 -0.49 0.00 0.00 175.26 173.70 2uwq s SER 41 N -0.80 3.16 -0.23 -0.19 0.01 -1.26 -4.91 113.70 109.48 2uwq s SER 41 Ca 0.08 -0.60 -0.08 0.00 1.31 0.00 0.00 55.95 56.66 2uwq s SER 41 Cb -0.08 -0.28 0.03 0.00 0.21 0.00 0.00 66.02 65.90 2uwq s SER 41 CO 0.00 0.25 0.17 -0.67 0.41 0.00 0.00 173.24 173.40 2uwq n ASP 42 N 1.72 -3.01 -3.77 2.44 4.64 -1.26 -4.83 116.55 112.47 2uwq n ASP 42 Ca -0.17 1.38 -0.13 0.00 -1.38 0.00 0.00 54.79 54.49 2uwq n ASP 42 Cb 0.52 -5.27 -0.10 0.00 -1.04 0.00 0.00 41.12 35.23 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 -0.54 2.45 0.06 0.00 -3.43 -1.20 -4.74 115.29 107.90 2uwq s HIS 44 Ca -0.06 -0.29 -0.02 0.00 -0.80 0.00 0.00 55.06 53.88 2uwq s HIS 44 Cb -0.04 -1.11 -0.04 0.00 -1.43 0.00 0.00 32.58 29.96 2uwq s HIS 44 CO 0.02 0.63 0.26 -1.17 -2.00 0.00 0.00 174.74 172.48 2uwq s LEU 45 N -3.32 4.34 0.17 5.38 2.96 0.03 -1.80 118.68 126.44 2uwq s LEU 45 Ca 0.28 0.40 0.09 0.00 -0.22 0.00 0.00 54.13 54.68 2uwq s LEU 45 Cb -0.06 -2.96 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 2uwq s LEU 45 CO 0.15 0.16 -0.14 0.00 -1.32 0.00 0.00 176.35 175.20 2uwq s ALA 46 N -1.49 2.80 -0.21 5.97 0.00 0.15 0.71 121.76 129.69 2uwq s ALA 46 Ca 0.34 -1.48 -0.00 0.00 0.00 0.00 0.00 51.96 50.82 2uwq s ALA 46 Cb -0.13 -0.64 0.06 0.00 0.00 0.00 0.00 23.12 22.41 2uwq s ALA 46 CO 0.24 0.49 -0.03 -1.83 0.00 0.00 0.00 175.76 174.63 2uwq s GLU 47 N -2.64 1.34 -0.10 0.00 -1.05 -0.02 -1.83 118.70 114.41 2uwq s GLU 47 Ca 0.22 -0.73 0.02 0.00 -0.15 0.00 0.00 54.97 54.34 2uwq s GLU 47 Cb -0.09 -2.33 0.01 0.00 -0.44 0.00 0.00 34.13 31.28 2uwq s GLU 47 CO 0.13 -0.57 -0.17 0.08 0.95 0.00 0.00 175.26 175.68 2uwq s VAL 48 N 1.57 1.59 -0.10 1.83 1.01 -0.85 0.31 120.40 125.76 2uwq s VAL 48 Ca -0.03 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2uwq s VAL 48 Cb -0.18 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 34.83 2uwq s VAL 48 CO -0.07 0.46 0.23 -1.66 0.00 0.00 0.00 175.10 174.05 2uwq s TRP 49 N 0.75 -0.31 -1.66 5.22 -2.14 0.10 -0.79 118.94 120.11 2uwq s TRP 49 Ca -0.11 0.77 -0.17 0.00 2.66 0.00 0.00 56.10 59.25 2uwq s TRP 49 Cb -0.16 -0.03 0.14 0.00 -3.10 0.00 0.00 33.47 30.32 2uwq s TRP 49 CO 0.02 -0.26 0.81 0.00 -2.66 0.00 0.00 176.95 174.86 2uwq n GLY 51 N -1.48 2.01 3.49 0.00 0.00 -1.26 -4.99 105.19 102.95 2uwq n GLY 51 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.55 6.34 -0.15 1.61 0.01 0.30 -5.00 113.70 114.26 2uwq s SER 52 Ca 0.00 -1.24 -0.06 0.00 1.31 0.00 0.00 55.95 55.95 2uwq s SER 52 Cb 0.00 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 2uwq s SER 52 CO 0.00 -1.43 0.07 -1.83 0.41 0.00 0.00 173.24 170.47 2uwq s GLU 53 N 4.16 3.65 -0.10 12.44 -1.05 -1.26 0.00 118.70 136.55 2uwq s GLU 53 Ca 0.31 -0.29 -0.09 0.00 -0.15 0.00 0.00 54.97 54.75 2uwq s GLU 53 Cb -0.09 -3.13 0.03 0.00 -0.44 0.00 0.00 34.13 30.49 2uwq s GLU 53 CO 0.03 0.49 0.25 0.50 0.95 0.00 0.00 175.26 177.48 2uwq s ARG 54 N -0.25 0.29 0.04 -4.83 6.06 0.15 -4.97 118.95 115.45 2uwq s ARG 54 Ca 0.09 0.36 -0.31 0.00 -2.50 0.00 0.00 55.73 53.37 2uwq s ARG 54 Cb -0.12 0.13 -0.06 0.00 0.06 0.00 0.00 34.95 34.96 2uwq s ARG 54 CO 0.01 -0.04 1.35 -1.25 -2.50 0.00 0.00 175.30 172.87 2uwq s PRO 55 N 0.19 4.32 -0.15 5.12 0.04 -1.26 -0.84 135.00 142.43 2uwq s PRO 55 Ca -0.00 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 62.97 2uwq s PRO 55 Cb -0.02 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 2uwq s PRO 55 CO -0.00 -0.47 -0.10 0.54 0.04 0.00 0.00 177.00 177.01 2uwq s VAL 56 N 1.78 3.27 0.56 -0.36 0.11 0.22 -4.89 120.40 121.10 2uwq s VAL 56 Ca 0.63 -0.58 -0.15 0.00 -2.93 0.00 0.00 61.98 58.95 2uwq s VAL 56 Cb -0.32 -2.40 -0.06 0.00 -1.53 0.00 0.00 36.38 32.07 2uwq s VAL 56 CO 0.28 0.51 1.01 0.00 -3.33 0.00 0.00 175.10 173.57 2uwq s ALA 57 N 0.48 3.01 -0.59 1.54 0.00 -1.26 -0.79 121.76 124.15 2uwq s ALA 57 Ca -0.07 0.14 0.18 0.00 0.00 0.00 0.00 51.96 52.20 2uwq s ALA 57 Cb -0.15 -3.13 0.81 0.00 0.00 0.00 0.00 23.12 20.65 2uwq s ALA 57 CO 0.04 -0.49 1.54 -0.25 0.00 0.00 0.00 175.76 176.60 2uwq n ASP 58 N -2.03 0.40 -0.96 0.00 10.43 -1.26 -1.51 116.55 121.63 2uwq n ASP 58 Ca 0.07 0.63 0.08 0.00 2.57 0.00 0.00 54.79 58.14 2uwq n ASP 58 Cb 0.54 -0.71 0.23 0.00 1.84 0.00 0.00 41.12 43.02 2uwq n ASP 58 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2uwq n ASN 59 N -1.98 2.78 -4.71 -2.24 4.13 -1.26 -3.19 115.26 108.77 2uwq n ASN 59 Ca 0.01 -2.01 -0.42 0.00 1.68 0.00 0.00 54.58 53.84 2uwq n ASN 59 Cb 0.13 -0.35 -0.03 0.00 -1.54 0.00 0.00 39.78 37.98 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2uwq s GLU 60 N -1.33 4.57 0.18 3.52 0.41 -0.57 -4.86 118.70 120.63 2uwq s GLU 60 Ca 0.34 1.36 -0.13 0.00 -0.41 0.00 0.00 54.97 56.13 2uwq s GLU 60 Cb 0.18 -3.44 -0.07 0.00 -1.78 0.00 0.00 34.13 29.02 2uwq s GLU 60 CO 0.23 0.02 0.57 1.03 -0.49 0.00 0.00 175.26 176.61 2uwq s ARG 61 N 0.79 3.94 0.00 1.61 0.52 -1.26 -2.00 118.95 122.55 2uwq s ARG 61 Ca 0.49 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 56.16 2uwq s ARG 61 Cb -0.21 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.43 2uwq s ARG 61 CO 0.27 0.41 0.17 -0.12 0.02 0.00 0.00 175.30 176.05 2uwq n MET 62 N 0.48 0.00 -0.27 3.54 0.00 -1.26 0.80 117.12 120.41 2uwq n MET 62 Ca -0.03 0.17 0.18 0.00 -0.00 0.00 0.00 57.70 58.01 2uwq n MET 62 Cb 0.52 -0.43 0.46 0.00 0.00 0.00 0.00 33.22 33.77 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 0.68 -0.78 1.12 -1.00 -1.91 -1.09 116.94 113.96 2uwq h PHE 63 Ca 0.00 0.02 0.18 0.00 2.81 0.00 0.00 57.97 60.98 2uwq h PHE 63 Cb 0.00 -0.21 -0.14 0.00 3.61 0.00 0.00 35.95 39.21 2uwq h PHE 63 CO 0.00 0.17 -0.04 0.22 -1.61 0.00 0.00 178.31 177.05 2uwq h ASP 64 N 0.50 -0.46 0.99 2.17 1.82 0.01 0.59 116.42 122.04 2uwq h ASP 64 Ca 0.50 0.21 -0.20 0.00 -0.39 0.00 0.00 57.03 57.15 2uwq h ASP 64 Cb 1.10 0.39 -0.03 0.00 0.68 0.00 0.00 39.33 41.48 2uwq h ASP 64 CO -0.23 -0.22 -0.97 -0.37 -1.61 0.00 0.00 179.24 175.84 2uwq h VAL 65 N 0.07 1.69 0.00 2.25 -1.51 0.19 -3.17 116.25 115.77 2uwq h VAL 65 Ca 0.42 -3.35 0.00 0.00 -1.23 0.00 0.00 66.70 62.54 2uwq h VAL 65 Cb 0.73 2.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 2uwq h VAL 65 CO -0.72 0.95 0.00 0.18 -1.23 0.00 0.00 177.57 176.75 2uwq n LEU 66 N -3.37 0.52 0.10 4.19 4.32 0.17 -1.94 117.00 120.98 2uwq n LEU 66 Ca -0.00 0.65 0.12 0.00 -0.02 0.00 0.00 56.01 56.76 2uwq n LEU 66 Cb 0.92 -0.61 0.05 0.00 -1.62 0.00 0.00 43.42 42.16 2uwq n LEU 66 CO 0.47 -0.59 0.15 -0.61 -1.22 0.00 0.00 177.39 175.58 2uwq h GLN 67 N 0.00 0.00 0.00 3.23 -0.00 -0.38 -3.36 115.11 114.60 2uwq h GLN 67 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.40 2uwq h GLN 67 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.70 2uwq h GLN 67 CO 0.00 0.00 -1.38 0.07 0.00 0.00 0.00 178.83 177.52 2uwq h ARG 68 N 0.00 0.00 0.00 1.69 0.11 -1.52 -3.39 114.38 111.27 2uwq h ARG 68 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2uwq h ARG 68 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 2uwq h ARG 68 CO 0.00 0.72 0.00 1.19 0.10 0.00 0.00 179.97 181.98 2uwq n PHE 69 N -3.18 0.00 0.00 4.08 3.01 -1.20 -5.05 117.46 115.12 2uwq n PHE 69 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2uwq n PHE 69 Cb 1.00 -0.48 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 2uwq n PHE 69 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2uwq n GLY 70 N -0.77 -0.43 2.24 1.37 0.00 -1.26 -4.92 105.19 101.42 2uwq n GLY 70 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 2uwq n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uwq n SER 71 N 0.00 4.51 -3.16 1.61 3.41 -1.26 -4.64 113.62 114.08 2uwq n SER 71 Ca 0.00 -3.64 -0.19 0.00 -0.26 0.00 0.00 58.87 54.79 2uwq n SER 71 Cb 0.00 -0.87 -0.06 0.00 -0.26 0.00 0.00 64.21 63.02 2uwq n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uwq n GLN 72 N -1.09 0.32 0.20 4.33 6.02 -1.26 -4.97 117.38 120.93 2uwq n GLN 72 Ca 0.60 -2.77 0.08 0.00 -0.01 0.00 0.00 57.00 54.91 2uwq n GLN 72 Cb 1.48 -1.59 0.31 0.00 1.02 0.00 0.00 30.24 31.46 2uwq n GLN 72 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2uwq h ARG 73 N 5.36 0.00 -0.84 -1.09 -0.00 -1.87 -3.03 114.38 112.91 2uwq h ARG 73 Ca 0.19 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 60.02 2uwq h ARG 73 Cb 0.98 0.00 -0.09 0.00 -0.00 0.00 0.00 29.97 30.86 2uwq h ARG 73 CO 0.25 0.26 0.18 0.09 -0.00 0.00 0.00 179.97 180.76 2uwq n ASN 74 N -3.29 3.91 0.00 0.08 3.02 -1.26 -3.78 115.26 113.94 2uwq n ASN 74 Ca 0.01 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.74 2uwq n ASN 74 Cb 0.52 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.01 5.38 -3.27 3.52 4.07 -1.14 -5.06 120.64 124.14 2uwq n GLU 75 Ca 0.28 -0.08 -0.24 0.00 -0.06 0.00 0.00 57.16 57.06 2uwq n GLU 75 Cb 1.06 -0.56 -0.01 0.00 -0.06 0.00 0.00 31.44 31.87 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 -0.79 4.92 0.00 6.31 0.11 -1.25 -4.10 120.40 125.60 2uwq s VAL 76 Ca 0.00 -0.43 0.05 0.00 -2.93 0.00 0.00 61.98 58.67 2uwq s VAL 76 Cb 0.00 -3.80 -0.02 0.00 -1.53 0.00 0.00 36.38 31.03 2uwq s VAL 76 CO 0.00 -0.54 -0.16 -0.13 -3.33 0.00 0.00 175.10 170.94 2uwq s ARG 77 N -4.38 1.22 -0.15 1.54 3.00 0.03 -4.86 118.95 115.35 2uwq s ARG 77 Ca 0.42 -0.63 -0.05 0.00 0.00 0.00 0.00 55.73 55.47 2uwq s ARG 77 Cb -0.10 -1.21 -0.03 0.00 0.00 0.00 0.00 34.95 33.61 2uwq s ARG 77 CO 0.37 0.32 0.02 -0.06 0.00 0.00 0.00 175.30 175.95 2uwq s PHE 78 N -0.49 3.18 -0.05 -0.53 2.99 -0.27 -2.00 117.98 120.80 2uwq s PHE 78 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 56.93 56.97 2uwq s PHE 78 Cb -0.07 -1.96 0.03 0.00 0.00 0.00 0.00 43.02 41.02 2uwq s PHE 78 CO -0.00 0.20 0.10 -0.06 -0.00 0.00 0.00 175.22 175.47 2uwq s PHE 79 N -0.01 -0.10 -0.19 0.36 0.08 -0.76 0.12 117.98 117.47 2uwq s PHE 79 Ca 0.04 0.33 -0.16 0.00 0.12 0.00 0.00 56.93 57.26 2uwq s PHE 79 Cb -0.13 -0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.22 2uwq s PHE 79 CO 0.02 -0.11 0.42 -1.17 -0.10 0.00 0.00 175.22 174.28 2uwq s LEU 80 N 0.75 4.17 -0.19 -0.37 2.96 -0.86 0.32 118.68 125.46 2uwq s LEU 80 Ca -0.06 0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 54.36 2uwq s LEU 80 Cb -0.08 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 2uwq s LEU 80 CO -0.03 -0.08 0.01 -0.13 -1.32 0.00 0.00 176.35 174.79 2uwq s ARG 81 N 1.28 3.67 -0.99 1.98 1.81 -0.74 -4.53 118.95 121.42 2uwq s ARG 81 Ca 0.20 -0.50 -0.15 0.00 -1.72 0.00 0.00 55.73 53.57 2uwq s ARG 81 Cb -0.15 -3.09 0.19 0.00 -0.45 0.00 0.00 34.95 31.46 2uwq s ARG 81 CO 0.08 0.07 1.08 -1.01 -0.68 0.00 0.00 175.30 174.84 2uwq s HIS 82 N 0.87 3.60 -1.76 -0.53 3.76 -1.26 -3.21 115.29 116.76 2uwq s HIS 82 Ca 0.01 -1.96 0.14 0.00 -0.15 0.00 0.00 55.06 53.10 2uwq s HIS 82 Cb -0.14 -4.07 0.11 0.00 1.11 0.00 0.00 32.58 29.59 2uwq s HIS 82 CO 0.02 -1.23 0.95 -1.91 -0.85 0.00 0.00 174.74 171.72