#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 1.45 3.64 -0.02 0.00 -1.26 -5.10 105.19 103.91 2uwq n GLY -1 Ca 0.00 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 2uwq n GLY -1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uwq n SER 0 N 0.00 0.08 -3.65 1.61 3.41 -1.26 -5.04 113.62 108.77 2uwq n SER 0 Ca 0.00 0.38 -0.07 0.00 -0.26 0.00 0.00 58.87 58.92 2uwq n SER 0 Cb 0.00 -1.45 -0.02 0.00 -0.26 0.00 0.00 64.21 62.48 2uwq n SER 0 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2uwq s MET 1 N -4.56 1.28 1.09 4.33 -2.45 -1.26 -5.17 119.30 112.56 2uwq s MET 1 Ca 0.66 -0.62 -0.12 0.00 -1.25 0.00 0.00 55.69 54.37 2uwq s MET 1 Cb -0.23 0.49 0.24 0.00 1.25 0.00 0.00 34.83 36.58 2uwq s MET 1 CO 0.59 -0.58 1.04 -1.33 1.05 0.00 0.00 175.02 175.79 2uwq n MET 2 N -0.40 -1.82 0.00 4.11 0.00 -1.26 -5.00 117.12 112.75 2uwq n MET 2 Ca -0.09 -0.49 0.00 0.00 0.00 0.00 0.00 57.70 57.13 2uwq n MET 2 Cb 0.61 -2.22 0.00 0.00 0.00 0.00 0.00 33.22 31.61 2uwq n MET 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2uwq n PRO 3 N -4.68 -0.83 -3.99 0.03 -0.04 -1.26 -5.07 135.00 119.16 2uwq n PRO 3 Ca 0.06 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.33 2uwq n PRO 3 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.38 0.49 -3.93 0.54 2.81 -1.26 -5.05 117.12 109.34 2uwq n MET 4 Ca 0.00 -2.91 -0.09 0.00 -1.81 0.00 0.00 57.70 52.89 2uwq n MET 4 Cb 0.00 1.98 -0.09 0.00 -0.71 0.00 0.00 33.22 34.40 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 -3.02 0.22 -0.00 2.03 -0.71 -1.26 -1.68 117.98 113.56 2uwq s PHE 5 Ca 0.26 -0.57 0.06 0.00 -1.04 0.00 0.00 56.93 55.64 2uwq s PHE 5 Cb 0.01 -0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.66 2uwq s PHE 5 CO 0.18 -0.40 -0.18 -0.48 -1.34 0.00 0.00 175.22 173.00 2uwq s LEU 6 N -2.34 2.07 -0.42 -1.99 0.05 -0.24 -4.88 118.68 110.93 2uwq s LEU 6 Ca -0.02 -0.36 -0.17 0.00 0.05 0.00 0.00 54.13 53.63 2uwq s LEU 6 Cb 0.01 -0.91 0.02 0.00 -2.05 0.00 0.00 46.19 43.26 2uwq s LEU 6 CO -0.06 0.20 0.40 -0.89 -0.55 0.00 0.00 176.35 175.45 2uwq s THR 7 N -0.51 5.13 0.36 5.48 2.01 -1.26 -1.21 115.64 125.64 2uwq s THR 7 Ca 0.07 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 2uwq s THR 7 Cb -0.07 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2uwq s THR 7 CO -0.00 -0.38 0.58 -0.69 -0.69 0.00 0.00 174.62 173.43 2uwq s VAL 8 N 2.03 5.08 -0.11 3.82 1.01 0.50 -1.22 120.40 131.50 2uwq s VAL 8 Ca 0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 2uwq s VAL 8 Cb -0.17 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2uwq s VAL 8 CO 0.13 -0.58 -0.10 -0.31 0.00 0.00 0.00 175.10 174.24 2uwq s TYR 9 N -2.36 2.87 -0.14 5.22 1.51 0.26 0.19 117.35 124.91 2uwq s TYR 9 Ca 0.41 -0.34 -0.14 0.00 -1.01 0.00 0.00 57.07 56.00 2uwq s TYR 9 Cb -0.10 -1.81 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 2uwq s TYR 9 CO 0.37 0.01 0.31 -0.51 -1.11 0.00 0.00 175.55 174.62 2uwq s LEU 10 N -0.07 4.28 0.00 -1.29 1.02 -0.40 -1.98 118.68 120.24 2uwq s LEU 10 Ca -0.01 0.57 0.00 0.00 0.02 0.00 0.00 54.13 54.72 2uwq s LEU 10 Cb -0.14 -2.39 0.00 0.00 0.02 0.00 0.00 46.19 43.68 2uwq s LEU 10 CO 0.03 0.14 0.00 -0.24 0.02 0.00 0.00 176.35 176.30 2uwq n SER 11 N 3.28 -3.01 -3.58 2.29 2.88 -1.26 -4.70 113.62 109.51 2uwq n SER 11 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2uwq n SER 11 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -3.44 -0.43 -0.47 -3.46 2.85 -1.26 -4.89 115.26 104.16 2uwq n ASN 12 Ca 0.00 -0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 2uwq n ASN 12 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2uwq n ASN 12 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2uwq n ASN 13 N -0.77 -3.08 -1.20 1.20 2.85 -1.26 -4.76 115.26 108.24 2uwq n ASN 13 Ca 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.45 2uwq n ASN 13 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 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 -0.94 0.00 0.00 1.20 1.02 -1.26 -4.89 120.64 115.77 2uwq n GLU 14 Ca 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 57.16 55.71 2uwq n GLU 14 Cb 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 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 0.22 2.91 -3.63 3.49 6.02 -1.26 -4.98 117.38 120.15 2uwq n GLN 15 Ca -0.12 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.50 2uwq n GLN 15 Cb 0.90 -0.69 -0.11 0.00 1.02 0.00 0.00 30.24 31.36 2uwq n GLN 15 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2uwq s HIS 16 N -1.22 3.24 0.07 1.08 2.46 -1.26 -5.05 115.29 114.61 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 -2.33 -0.02 0.00 -0.13 0.00 0.00 32.58 30.10 2uwq s HIS 16 CO 0.00 -0.11 0.09 -0.59 -2.47 0.00 0.00 174.74 171.66 2uwq s PHE 17 N 1.54 0.31 -0.15 3.88 -0.71 -1.26 -1.28 117.98 120.31 2uwq s PHE 17 Ca 0.07 -0.78 -0.02 0.00 -1.04 0.00 0.00 56.93 55.16 2uwq s PHE 17 Cb -0.15 -0.20 0.04 0.00 -1.21 0.00 0.00 43.02 41.50 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 0.24 -4.49 -1.32 0.50 -4.88 115.64 102.60 2uwq s THR 18 Ca 0.05 -0.43 -0.05 0.00 -1.21 0.00 0.00 61.69 60.06 2uwq s THR 18 Cb 0.06 -1.02 -0.05 0.00 -1.51 0.00 0.00 72.50 69.98 2uwq s THR 18 CO -0.10 0.04 0.49 -1.83 -2.21 0.00 0.00 174.62 171.00 2uwq s GLU 19 N 1.79 3.63 -0.23 7.08 -1.05 -1.26 -0.37 118.70 128.29 2uwq s GLU 19 Ca 0.01 -0.05 -0.20 0.00 -0.15 0.00 0.00 54.97 54.58 2uwq s GLU 19 Cb -0.15 -2.72 0.06 0.00 -0.44 0.00 0.00 34.13 30.88 2uwq s GLU 19 CO -0.07 0.31 0.60 0.14 0.95 0.00 0.00 175.26 177.19 2uwq s VAL 20 N -1.93 -0.00 -0.50 1.83 -7.23 -0.35 -4.95 120.40 107.26 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 -0.84 0.04 0.00 0.56 0.00 0.00 36.38 36.03 2uwq s VAL 20 CO 0.28 0.00 0.76 -2.16 -0.31 0.00 0.00 175.10 173.67 2uwq s PRO 21 N 0.44 3.26 0.21 4.82 0.04 -1.26 -1.08 135.00 141.43 2uwq s PRO 21 Ca -0.01 -0.49 0.09 0.00 0.04 0.00 0.00 61.00 60.63 2uwq s PRO 21 Cb -0.04 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 2uwq s PRO 21 CO -0.01 -1.27 -0.03 0.54 0.04 0.00 0.00 177.00 176.27 2uwq s VAL 22 N 3.22 3.45 0.33 -0.36 0.11 -0.68 -4.95 120.40 121.52 2uwq s VAL 22 Ca 0.24 -1.70 0.08 0.00 -2.93 0.00 0.00 61.98 57.67 2uwq s VAL 22 Cb -0.15 -2.78 -0.04 0.00 -1.53 0.00 0.00 36.38 31.88 2uwq s VAL 22 CO 0.17 -0.22 0.11 0.42 -3.33 0.00 0.00 175.10 172.25 2uwq s THR 23 N -1.97 3.10 -0.28 5.04 -4.23 -1.26 -4.11 115.64 111.93 2uwq s THR 23 Ca 0.28 -1.75 0.15 0.00 -1.18 0.00 0.00 61.69 59.19 2uwq s THR 23 Cb -0.08 -2.95 0.15 0.00 1.34 0.00 0.00 72.50 70.96 2uwq s THR 23 CO 0.18 -0.22 1.41 -0.81 -0.54 0.00 0.00 174.62 174.65 2uwq n PRO 24 N -1.09 0.10 0.07 3.99 -0.04 -1.26 -1.87 135.00 134.89 2uwq n PRO 24 Ca -0.04 0.58 -0.13 0.00 -0.04 0.00 0.00 63.50 63.87 2uwq n PRO 24 Cb 0.61 -1.91 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 2uwq n PRO 24 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2uwq h GLU 25 N 0.00 -0.19 -6.27 0.54 4.81 -2.01 -3.45 114.58 108.01 2uwq h GLU 25 Ca 0.00 0.01 -0.56 0.00 -0.13 0.00 0.00 59.36 58.68 2uwq h GLU 25 Cb 0.18 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 2uwq h GLU 25 CO 0.00 0.19 -0.22 0.95 -0.73 0.00 0.00 179.01 179.19 2uwq s THR 26 N -4.45 5.06 -0.03 0.32 -4.23 -0.78 -5.09 115.64 106.43 2uwq s THR 26 Ca -0.15 0.26 -0.00 0.00 -1.18 0.00 0.00 61.69 60.63 2uwq s THR 26 Cb 0.02 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.26 2uwq s THR 26 CO 0.59 0.02 0.01 0.27 -0.54 0.00 0.00 174.62 174.98 2uwq s ILE 27 N -1.70 0.10 0.00 2.99 -5.25 -1.26 -4.37 121.20 111.71 2uwq s ILE 27 Ca 0.43 0.15 0.00 0.00 -0.99 0.00 0.00 60.65 60.24 2uwq s ILE 27 Cb -0.12 -0.23 0.00 0.00 2.95 0.00 0.00 42.46 45.06 2uwq s ILE 27 CO 0.23 0.14 0.00 0.00 -1.79 0.00 0.00 174.94 173.52 2uwq h ARG 29 N 0.00 0.48 0.00 0.00 2.43 -1.90 -2.15 114.38 113.24 2uwq h ARG 29 Ca 0.00 -0.82 -0.19 0.00 -0.81 0.00 0.00 59.98 58.17 2uwq h ARG 29 Cb 0.37 0.30 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 2uwq h ARG 29 CO 0.00 1.39 -0.84 -0.44 -1.51 0.00 0.00 179.97 178.57 2uwq h ASP 30 N 0.13 0.17 0.18 -3.80 5.19 -1.97 -0.12 116.42 116.20 2uwq h ASP 30 Ca -0.29 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 55.97 2uwq h ASP 30 Cb 2.14 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.60 2uwq h ASP 30 CO 0.24 0.93 -0.09 0.58 -3.12 0.00 0.00 179.24 177.78 2uwq h VAL 31 N 0.07 0.92 -0.04 -1.35 2.07 -1.91 -1.54 116.25 114.47 2uwq h VAL 31 Ca -0.03 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 2uwq h VAL 31 Cb 1.46 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2uwq h VAL 31 CO 0.12 0.14 -0.17 0.58 0.02 0.00 0.00 177.57 178.26 2uwq h VAL 32 N -0.55 1.47 -0.91 2.57 2.07 -1.46 -1.09 116.25 118.36 2uwq h VAL 32 Ca -0.03 -1.64 0.11 0.00 0.82 0.00 0.00 66.70 65.96 2uwq h VAL 32 Cb 0.41 2.44 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 2uwq h VAL 32 CO 0.04 0.45 0.55 -0.78 0.02 0.00 0.00 177.57 177.85 2uwq h ASP 33 N -0.38 0.80 0.79 0.57 1.82 -1.10 0.33 116.42 119.23 2uwq h ASP 33 Ca -0.01 0.05 -0.25 0.00 -0.39 0.00 0.00 57.03 56.43 2uwq h ASP 33 Cb 0.83 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.70 2uwq h ASP 33 CO 0.04 0.44 -1.24 -0.07 -1.61 0.00 0.00 179.24 176.80 2uwq h LEU 34 N 0.89 0.10 -3.79 2.28 3.38 -1.34 -3.31 115.31 113.53 2uwq h LEU 34 Ca 0.45 -0.13 -0.44 0.00 0.09 0.00 0.00 57.88 57.85 2uwq h LEU 34 Cb 0.42 -0.03 -0.25 0.00 0.09 0.00 0.00 40.66 40.89 2uwq h LEU 34 CO -0.26 1.10 0.40 0.00 0.09 0.00 0.00 178.44 179.77 2uwq s LYS 36 N -3.37 0.81 0.23 0.00 2.47 0.11 -4.76 119.74 115.24 2uwq s LYS 36 Ca 0.54 -0.46 -0.22 0.00 -1.56 0.00 0.00 55.97 54.27 2uwq s LYS 36 Cb 0.46 -1.90 0.04 0.00 -1.46 0.00 0.00 37.83 34.96 2uwq s LYS 36 CO 0.06 -2.28 0.75 -1.21 0.16 0.00 0.00 175.35 172.83 2uwq s GLU 37 N -5.80 1.59 -0.42 4.03 2.02 -1.26 -4.94 118.70 113.91 2uwq s GLU 37 Ca 0.73 -0.84 -0.33 0.00 0.02 0.00 0.00 54.97 54.54 2uwq s GLU 37 Cb -0.04 0.57 -0.12 0.00 0.10 0.00 0.00 34.13 34.64 2uwq s GLU 37 CO 0.52 -0.72 2.27 -2.30 0.02 0.00 0.00 175.26 175.04 2uwq n PRO 38 N -0.44 1.00 -0.29 0.39 -0.02 -1.26 -4.15 135.00 130.22 2uwq n PRO 38 Ca -0.06 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2uwq n PRO 38 Cb 0.60 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2uwq n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uwq n GLY 39 N 6.46 -0.42 3.30 -1.23 0.00 -1.26 -5.03 105.19 107.01 2uwq n GLY 39 Ca 0.43 -0.74 -0.45 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.18 2.99 -0.29 1.61 2.12 -1.26 -5.00 118.70 118.69 2uwq s GLU 40 Ca 0.00 -1.83 -0.03 0.00 0.36 0.00 0.00 54.97 53.47 2uwq s GLU 40 Cb 0.00 -4.25 0.10 0.00 0.26 0.00 0.00 34.13 30.23 2uwq s GLU 40 CO 0.00 -1.30 0.12 -1.54 -0.54 0.00 0.00 175.26 171.99 2uwq s SER 41 N 3.24 3.68 -0.26 -1.70 1.04 -1.26 -4.99 113.70 113.45 2uwq s SER 41 Ca 0.05 -1.39 -0.04 0.00 0.48 0.00 0.00 55.95 55.05 2uwq s SER 41 Cb -0.27 -0.53 0.02 0.00 0.10 0.00 0.00 66.02 65.34 2uwq s SER 41 CO 0.01 -0.43 0.09 0.47 0.98 0.00 0.00 173.24 174.36 2uwq n ASP 42 N 5.11 -5.20 -4.20 7.02 9.92 -1.26 -4.61 116.55 123.32 2uwq n ASP 42 Ca -0.05 1.38 -0.19 0.00 -0.53 0.00 0.00 54.79 55.41 2uwq n ASP 42 Cb 0.42 -5.23 -0.12 0.00 -0.64 0.00 0.00 41.12 35.55 2uwq n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2uwq s HIS 44 N -1.55 0.24 0.05 0.00 -3.43 -1.19 -4.72 115.29 104.69 2uwq s HIS 44 Ca 0.02 -0.65 0.02 0.00 -0.80 0.00 0.00 55.06 53.65 2uwq s HIS 44 Cb -0.08 -0.16 -0.04 0.00 -1.43 0.00 0.00 32.58 30.87 2uwq s HIS 44 CO 0.03 -0.45 0.08 -1.17 -2.00 0.00 0.00 174.74 171.23 2uwq s LEU 45 N -2.62 3.86 0.16 5.38 2.96 -0.41 -1.82 118.68 126.19 2uwq s LEU 45 Ca 0.02 0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.07 2uwq s LEU 45 Cb 0.04 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 2uwq s LEU 45 CO -0.09 0.21 -0.07 0.00 -1.32 0.00 0.00 176.35 175.08 2uwq s ALA 46 N -1.32 3.01 -0.21 5.97 0.00 0.99 0.62 121.76 130.82 2uwq s ALA 46 Ca 0.27 -1.39 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 2uwq s ALA 46 Cb -0.12 -0.83 0.05 0.00 0.00 0.00 0.00 23.12 22.22 2uwq s ALA 46 CO 0.19 0.51 -0.04 -1.83 0.00 0.00 0.00 175.76 174.60 2uwq s GLU 47 N -2.70 1.44 -0.10 0.00 -1.05 0.30 -1.83 118.70 114.76 2uwq s GLU 47 Ca 0.25 -0.76 0.03 0.00 -0.15 0.00 0.00 54.97 54.33 2uwq s GLU 47 Cb -0.09 -2.35 0.01 0.00 -0.44 0.00 0.00 34.13 31.25 2uwq s GLU 47 CO 0.16 -0.55 -0.18 0.08 0.95 0.00 0.00 175.26 175.71 2uwq s VAL 48 N 1.53 1.64 -0.12 1.83 1.01 -0.80 0.40 120.40 125.89 2uwq s VAL 48 Ca -0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 2uwq s VAL 48 Cb -0.17 -1.46 0.06 0.00 0.00 0.00 0.00 36.38 34.81 2uwq s VAL 48 CO -0.07 0.47 0.23 -1.66 0.00 0.00 0.00 175.10 174.07 2uwq s TRP 49 N 0.67 -0.35 -1.65 5.22 -2.14 0.15 -0.38 118.94 120.46 2uwq s TRP 49 Ca -0.13 0.86 -0.13 0.00 2.66 0.00 0.00 56.10 59.36 2uwq s TRP 49 Cb -0.16 -0.11 0.12 0.00 -3.10 0.00 0.00 33.47 30.22 2uwq s TRP 49 CO 0.03 -0.33 0.59 0.00 -2.66 0.00 0.00 176.95 174.58 2uwq n GLY 51 N -1.61 1.60 3.44 0.00 0.00 -1.26 -5.00 105.19 102.35 2uwq n GLY 51 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.13 6.37 -0.13 1.61 0.01 0.26 -5.01 113.70 114.68 2uwq s SER 52 Ca 0.00 -1.52 -0.03 0.00 1.31 0.00 0.00 55.95 55.71 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 -1.23 -0.02 -1.83 0.41 0.00 0.00 173.24 170.58 2uwq s GLU 53 N 3.24 3.39 0.02 12.44 -1.05 -1.26 0.30 118.70 135.79 2uwq s GLU 53 Ca 0.25 -0.47 -0.10 0.00 -0.15 0.00 0.00 54.97 54.50 2uwq s GLU 53 Cb -0.13 -2.87 0.01 0.00 -0.44 0.00 0.00 34.13 30.70 2uwq s GLU 53 CO 0.01 0.44 0.21 1.03 0.95 0.00 0.00 175.26 177.90 2uwq s ARG 54 N -0.17 0.66 -0.34 -4.83 0.52 0.16 -4.96 118.95 109.99 2uwq s ARG 54 Ca 0.04 -0.51 -0.27 0.00 -0.52 0.00 0.00 55.73 54.47 2uwq s ARG 54 Cb -0.13 0.28 0.02 0.00 0.52 0.00 0.00 34.95 35.64 2uwq s ARG 54 CO 0.02 -0.19 1.00 -1.25 0.02 0.00 0.00 175.30 174.90 2uwq s PRO 55 N -2.14 3.96 -0.18 3.54 0.04 -1.26 -0.54 135.00 138.42 2uwq s PRO 55 Ca -0.08 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 2uwq s PRO 55 Cb -0.03 -3.77 -0.05 0.00 0.04 0.00 0.00 34.50 30.69 2uwq s PRO 55 CO -0.01 -0.92 0.20 0.54 0.04 0.00 0.00 177.00 176.84 2uwq s VAL 56 N 3.57 5.37 0.51 -0.36 0.11 0.20 -4.93 120.40 124.87 2uwq s VAL 56 Ca 0.42 0.34 -0.17 0.00 -2.93 0.00 0.00 61.98 59.63 2uwq s VAL 56 Cb -0.12 -3.54 -0.08 0.00 -1.53 0.00 0.00 36.38 31.12 2uwq s VAL 56 CO 0.17 0.42 0.99 0.00 -3.33 0.00 0.00 175.10 173.35 2uwq s ALA 57 N 0.42 3.00 -0.61 1.54 0.00 -1.26 -1.29 121.76 123.56 2uwq s ALA 57 Ca 0.11 0.27 0.17 0.00 0.00 0.00 0.00 51.96 52.51 2uwq s ALA 57 Cb -0.12 -3.15 0.77 0.00 0.00 0.00 0.00 23.12 20.63 2uwq s ALA 57 CO 0.00 -0.27 1.51 -0.25 0.00 0.00 0.00 175.76 176.76 2uwq n ASP 58 N -1.46 0.37 -1.40 0.00 8.00 -1.26 -1.73 116.55 119.07 2uwq n ASP 58 Ca 0.07 0.63 0.09 0.00 0.71 0.00 0.00 54.79 56.29 2uwq n ASP 58 Cb 0.54 -0.69 0.32 0.00 -0.02 0.00 0.00 41.12 41.27 2uwq n ASP 58 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2uwq n ASN 59 N -1.95 4.36 -4.60 -2.24 4.13 -1.26 -2.81 115.26 110.89 2uwq n ASN 59 Ca 0.01 -2.34 -0.43 0.00 1.68 0.00 0.00 54.58 53.50 2uwq n ASN 59 Cb 0.12 -0.52 -0.04 0.00 -1.54 0.00 0.00 39.78 37.80 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 -1.64 3.82 0.32 3.52 0.41 -0.70 -4.87 118.70 119.57 2uwq s GLU 60 Ca 0.47 0.55 -0.29 0.00 -0.41 0.00 0.00 54.97 55.29 2uwq s GLU 60 Cb 0.29 -3.81 -0.11 0.00 -1.78 0.00 0.00 34.13 28.72 2uwq s GLU 60 CO 0.25 -0.96 1.56 1.03 -0.49 0.00 0.00 175.26 176.64 2uwq s ARG 61 N 3.49 4.11 0.00 1.61 3.00 -1.26 -3.88 118.95 126.03 2uwq s ARG 61 Ca 0.38 2.59 0.00 0.00 0.00 0.00 0.00 55.73 58.70 2uwq s ARG 61 Cb -0.12 -3.00 0.00 0.00 0.00 0.00 0.00 34.95 31.83 2uwq s ARG 61 CO 0.19 -0.61 0.28 -0.12 0.00 0.00 0.00 175.30 175.04 2uwq n MET 62 N 1.58 0.00 -0.28 3.54 0.00 -1.26 0.75 117.12 121.45 2uwq n MET 62 Ca 0.06 0.28 0.12 0.00 -0.00 0.00 0.00 57.70 58.15 2uwq n MET 62 Cb 0.38 -0.54 0.36 0.00 0.00 0.00 0.00 33.22 33.42 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 0.86 -0.98 1.12 0.04 -1.91 0.64 116.94 116.71 2uwq h PHE 63 Ca 0.00 0.02 0.14 0.00 2.80 0.00 0.00 57.97 60.94 2uwq h PHE 63 Cb 0.00 -0.27 -0.09 0.00 2.20 0.00 0.00 35.95 37.79 2uwq h PHE 63 CO -0.03 0.31 0.62 -0.44 -0.60 0.00 0.00 178.31 178.17 2uwq h ASP 64 N 0.72 0.84 1.11 2.17 5.19 -0.01 0.53 116.42 126.98 2uwq h ASP 64 Ca 0.46 0.06 -0.17 0.00 -0.62 0.00 0.00 57.03 56.76 2uwq h ASP 64 Cb 0.71 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 2uwq h ASP 64 CO -0.22 0.41 -0.80 0.58 -3.12 0.00 0.00 179.24 176.09 2uwq h VAL 65 N 0.88 1.42 0.00 -1.35 2.07 0.20 -3.10 116.25 116.36 2uwq h VAL 65 Ca 0.50 -2.91 0.00 0.00 0.82 0.00 0.00 66.70 65.11 2uwq h VAL 65 Cb 0.63 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2uwq h VAL 65 CO -0.28 0.79 0.00 0.18 0.02 0.00 0.00 177.57 178.28 2uwq n LEU 66 N -3.35 0.10 0.07 2.57 4.32 0.13 -2.97 117.00 117.87 2uwq n LEU 66 Ca 0.00 0.51 0.10 0.00 -0.02 0.00 0.00 56.01 56.61 2uwq n LEU 66 Cb 0.84 -0.49 -0.04 0.00 -1.62 0.00 0.00 43.42 42.12 2uwq n LEU 66 CO 0.44 -0.10 -0.16 0.00 -1.22 0.00 0.00 177.39 176.36 2uwq n GLN 67 N -1.60 0.62 0.08 3.23 6.02 0.14 -4.10 117.38 121.77 2uwq n GLN 67 Ca 0.06 0.08 -0.05 0.00 -0.01 0.00 0.00 57.00 57.08 2uwq n GLN 67 Cb 0.30 -1.77 -0.04 0.00 1.02 0.00 0.00 30.24 29.75 2uwq n GLN 67 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2uwq h ARG 68 N 0.00 0.00 0.00 -1.09 0.11 -1.59 -3.13 114.38 108.68 2uwq h ARG 68 Ca -0.03 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2uwq h ARG 68 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 2uwq h ARG 68 CO 0.01 0.89 0.00 0.74 0.10 0.00 0.00 179.97 181.71 2uwq h PHE 69 N 0.00 0.00 0.00 4.08 0.04 -1.71 -3.46 116.94 115.89 2uwq h PHE 69 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2uwq h PHE 69 Cb 1.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.72 2uwq h PHE 69 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 2uwq n GLY 70 N -0.92 2.70 0.58 -1.45 0.00 -1.18 -4.54 105.19 100.38 2uwq n GLY 70 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2uwq n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2uwq n SER 71 N 1.44 0.00 -4.56 1.61 2.88 -1.26 -4.98 113.62 108.75 2uwq n SER 71 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 2uwq n SER 71 Cb 0.00 0.15 -0.06 0.00 -0.75 0.00 0.00 64.21 63.54 2uwq n SER 71 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2uwq s GLN 72 N -1.38 1.97 0.16 -1.46 1.11 -1.26 -4.70 119.66 114.10 2uwq s GLN 72 Ca 0.00 0.13 0.15 0.00 0.01 0.00 0.00 55.36 55.65 2uwq s GLN 72 Cb 0.00 -4.91 -0.05 0.00 -1.01 0.00 0.00 33.01 27.04 2uwq s GLN 72 CO 0.00 -4.07 1.14 0.07 0.01 0.00 0.00 175.29 172.44 2uwq h ARG 73 N 12.05 0.00 -0.72 2.91 0.11 -1.95 -3.28 114.38 123.49 2uwq h ARG 73 Ca 0.04 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.10 2uwq h ARG 73 Cb 1.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.06 2uwq h ARG 73 CO 1.09 0.45 0.03 0.09 0.10 0.00 0.00 179.97 181.73 2uwq n ASN 74 N -3.08 4.33 -0.00 0.08 4.13 -1.26 -3.82 115.26 115.63 2uwq n ASN 74 Ca -0.04 -2.70 0.00 0.00 1.68 0.00 0.00 54.58 53.52 2uwq n ASN 74 Cb 0.81 -0.64 -0.00 0.00 -1.54 0.00 0.00 39.78 38.40 2uwq n ASN 74 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2uwq n GLU 75 N 0.37 5.40 -3.10 3.52 4.07 -1.24 -5.06 120.64 124.60 2uwq n GLU 75 Ca 0.22 -0.10 -0.23 0.00 -0.06 0.00 0.00 57.16 56.99 2uwq n GLU 75 Cb 0.96 -0.61 0.00 0.00 -0.06 0.00 0.00 31.44 31.73 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 -0.87 4.33 0.02 6.31 0.11 -1.25 -3.92 120.40 125.13 2uwq s VAL 76 Ca 0.00 -0.49 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 2uwq s VAL 76 Cb 0.00 -3.59 -0.01 0.00 -1.53 0.00 0.00 36.38 31.25 2uwq s VAL 76 CO 0.02 -0.40 -0.10 -0.13 -3.33 0.00 0.00 175.10 171.15 2uwq s ARG 77 N -4.48 0.75 -0.11 1.54 0.52 0.49 -4.91 118.95 112.75 2uwq s ARG 77 Ca 0.46 -0.52 -0.02 0.00 -0.52 0.00 0.00 55.73 55.12 2uwq s ARG 77 Cb -0.10 -0.71 -0.03 0.00 0.52 0.00 0.00 34.95 34.63 2uwq s ARG 77 CO 0.37 0.18 -0.02 -0.06 0.02 0.00 0.00 175.30 175.80 2uwq s PHE 78 N -0.59 3.08 -0.03 -0.53 0.40 -0.36 -1.91 117.98 118.04 2uwq s PHE 78 Ca 0.01 -0.01 -0.03 0.00 -0.60 0.00 0.00 56.93 56.30 2uwq s PHE 78 Cb -0.06 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.63 2uwq s PHE 78 CO 0.00 0.26 0.08 -0.06 0.70 0.00 0.00 175.22 176.20 2uwq s PHE 79 N -0.37 -0.09 -0.23 0.36 0.08 -0.76 0.93 117.98 117.91 2uwq s PHE 79 Ca 0.07 0.22 -0.18 0.00 0.12 0.00 0.00 56.93 57.15 2uwq s PHE 79 Cb -0.12 0.03 -0.03 0.00 -0.57 0.00 0.00 43.02 42.32 2uwq s PHE 79 CO 0.02 -0.04 0.49 -1.17 -0.10 0.00 0.00 175.22 174.42 2uwq s LEU 80 N 0.05 4.11 -0.13 -0.37 1.98 -0.84 -0.01 118.68 123.48 2uwq s LEU 80 Ca -0.00 0.58 -0.01 0.00 -2.89 0.00 0.00 54.13 51.81 2uwq s LEU 80 Cb -0.01 -2.65 -0.02 0.00 0.66 0.00 0.00 46.19 44.17 2uwq s LEU 80 CO 0.00 -0.21 -0.10 -0.13 -1.89 0.00 0.00 176.35 174.03 2uwq s ARG 81 N 1.86 3.35 -0.56 1.98 1.81 -0.75 -4.67 118.95 121.97 2uwq s ARG 81 Ca 0.22 -0.62 -0.21 0.00 -1.72 0.00 0.00 55.73 53.40 2uwq s ARG 81 Cb -0.15 -2.69 0.06 0.00 -0.45 0.00 0.00 34.95 31.71 2uwq s ARG 81 CO 0.09 0.30 0.77 -1.01 -0.68 0.00 0.00 175.30 174.77 2uwq s HIS 82 N 0.16 2.91 -2.23 -0.53 3.76 -1.26 -3.17 115.29 114.94 2uwq s HIS 82 Ca -0.05 -0.49 0.30 0.00 -0.15 0.00 0.00 55.06 54.68 2uwq s HIS 82 Cb -0.15 -3.88 1.52 0.00 1.11 0.00 0.00 32.58 31.19 2uwq s HIS 82 CO 0.04 -1.26 2.01 -1.91 -0.85 0.00 0.00 174.74 172.77