#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 2.93 3.54 -0.02 0.00 -1.26 -5.01 105.19 105.37 2uwq n GLY -1 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2uwq n GLY -1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2uwq s SER 0 N 0.68 5.26 -0.30 1.61 0.15 -1.26 -4.99 113.70 114.85 2uwq s SER 0 Ca 0.00 -0.07 0.10 0.00 0.70 0.00 0.00 55.95 56.69 2uwq s SER 0 Cb 0.00 -1.91 0.47 0.00 -1.71 0.00 0.00 66.02 62.87 2uwq s SER 0 CO 0.00 0.10 1.16 1.15 1.20 0.00 0.00 173.24 176.85 2uwq n MET 1 N 3.99 3.14 -4.65 5.44 -0.00 -1.26 -5.03 117.12 118.75 2uwq n MET 1 Ca -0.17 -4.04 -0.25 0.00 -0.00 0.00 0.00 57.70 53.25 2uwq n MET 1 Cb 0.52 -2.11 -0.16 0.00 -0.00 0.00 0.00 33.22 31.47 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 -3.62 1.69 0.13 3.17 1.00 -1.26 -5.15 119.30 115.25 2uwq s MET 2 Ca 0.45 -0.47 -0.02 0.00 0.00 0.00 0.00 55.69 55.65 2uwq s MET 2 Cb 0.39 -1.42 0.03 0.00 0.00 0.00 0.00 34.83 33.83 2uwq s MET 2 CO 0.00 0.10 0.14 -0.35 0.00 0.00 0.00 175.02 174.91 2uwq n PRO 3 N 3.57 -0.73 -3.20 2.03 -0.04 -1.26 -5.11 135.00 130.26 2uwq n PRO 3 Ca -0.21 -0.22 -0.10 0.00 -0.04 0.00 0.00 63.50 62.93 2uwq n PRO 3 Cb 0.52 -0.17 -0.04 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.62 0.28 -3.86 0.54 2.81 -1.26 -5.07 117.12 108.93 2uwq n MET 4 Ca 0.02 -1.84 -0.09 0.00 -1.81 0.00 0.00 57.70 53.98 2uwq n MET 4 Cb 0.07 1.57 -0.08 0.00 -0.71 0.00 0.00 33.22 34.07 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 -3.03 0.14 -0.00 2.03 -0.12 -1.26 -2.01 117.98 113.73 2uwq s PHE 5 Ca 0.21 -0.50 0.05 0.00 -0.05 0.00 0.00 56.93 56.64 2uwq s PHE 5 Cb 0.01 -0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.32 2uwq s PHE 5 CO 0.15 -0.50 -0.17 -0.48 -0.05 0.00 0.00 175.22 174.18 2uwq s LEU 6 N -2.60 2.06 -0.41 -1.99 0.05 -0.64 -4.93 118.68 110.22 2uwq s LEU 6 Ca 0.02 -0.34 -0.17 0.00 0.05 0.00 0.00 54.13 53.68 2uwq s LEU 6 Cb 0.03 -0.83 0.02 0.00 -2.05 0.00 0.00 46.19 43.36 2uwq s LEU 6 CO -0.09 0.18 0.45 -0.89 -0.55 0.00 0.00 176.35 175.45 2uwq s THR 7 N -0.49 5.07 0.43 5.48 2.01 -1.26 -1.46 115.64 125.43 2uwq s THR 7 Ca 0.06 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 2uwq s THR 7 Cb -0.07 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 2uwq s THR 7 CO -0.00 -0.40 0.70 -0.69 -0.69 0.00 0.00 174.62 173.53 2uwq s VAL 8 N 2.18 4.96 -0.19 3.82 1.01 0.89 -1.00 120.40 132.07 2uwq s VAL 8 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 2uwq s VAL 8 Cb -0.17 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2uwq s VAL 8 CO 0.14 -0.74 -0.05 -0.31 0.00 0.00 0.00 175.10 174.14 2uwq s TYR 9 N -2.59 2.96 0.19 5.22 1.51 0.37 0.21 117.35 125.21 2uwq s TYR 9 Ca 0.45 -0.65 -0.22 0.00 -1.01 0.00 0.00 57.07 55.64 2uwq s TYR 9 Cb -0.10 -2.02 -0.08 0.00 -0.11 0.00 0.00 41.96 39.65 2uwq s TYR 9 CO 0.42 -0.32 0.72 -0.51 -1.11 0.00 0.00 175.55 174.75 2uwq s LEU 10 N 0.94 4.45 -0.22 -1.29 1.43 -0.38 -2.04 118.68 121.57 2uwq s LEU 10 Ca -0.00 1.48 -0.02 0.00 -1.03 0.00 0.00 54.13 54.56 2uwq s LEU 10 Cb -0.15 -3.41 -0.08 0.00 0.03 0.00 0.00 46.19 42.59 2uwq s LEU 10 CO 0.01 0.12 0.58 -1.20 0.23 0.00 0.00 176.35 176.08 2uwq n SER 11 N 1.13 -0.52 0.00 2.29 7.64 -1.26 -1.81 113.62 121.09 2uwq n SER 11 Ca -0.04 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.58 2uwq n SER 11 Cb 0.50 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 2uwq n SER 11 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2uwq n ASN 12 N 1.66 0.00 -0.90 6.43 5.15 -1.26 -5.07 115.26 121.28 2uwq n ASN 12 Ca 0.15 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.22 2uwq n ASN 12 Cb 0.08 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.31 2uwq n ASN 12 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2uwq n ASN 13 N 0.00 -5.33 0.00 1.20 3.02 -0.75 -4.76 115.26 108.64 2uwq n ASN 13 Ca 0.00 0.68 0.00 0.00 -0.03 0.00 0.00 54.58 55.23 2uwq n ASN 13 Cb 0.00 -2.02 0.00 0.00 -0.61 0.00 0.00 39.78 37.15 2uwq n ASN 13 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2uwq n GLU 14 N -2.48 0.00 0.00 3.52 2.13 -1.26 -3.36 120.64 119.19 2uwq n GLU 14 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2uwq n GLU 14 Cb 0.29 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.00 2uwq n GLU 14 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2uwq n GLN 15 N 0.00 0.00 -3.61 5.31 6.02 -1.26 -5.05 117.38 118.79 2uwq n GLN 15 Ca 0.00 -0.10 -0.38 0.00 -0.01 0.00 0.00 57.00 56.52 2uwq n GLN 15 Cb 0.00 -0.44 -0.11 0.00 1.02 0.00 0.00 30.24 30.72 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 0.00 3.22 0.08 1.08 2.46 -1.21 -5.05 115.29 115.86 2uwq s HIS 16 Ca 0.00 0.09 -0.06 0.00 0.47 0.00 0.00 55.06 55.55 2uwq s HIS 16 Cb 0.00 -2.36 -0.01 0.00 -0.13 0.00 0.00 32.58 30.08 2uwq s HIS 16 CO 0.00 -0.15 0.13 -0.59 -2.47 0.00 0.00 174.74 171.65 2uwq s PHE 17 N 1.67 0.26 -0.14 3.88 -0.71 -1.25 -1.25 117.98 120.43 2uwq s PHE 17 Ca 0.07 -0.72 -0.03 0.00 -1.04 0.00 0.00 56.93 55.21 2uwq s PHE 17 Cb -0.16 -0.15 0.05 0.00 -1.21 0.00 0.00 43.02 41.55 2uwq s PHE 17 CO 0.10 -0.50 0.03 -0.08 -1.34 0.00 0.00 175.22 173.43 2uwq s THR 18 N -3.88 0.36 0.22 -4.49 -1.32 0.55 -4.79 115.64 102.30 2uwq s THR 18 Ca 0.06 -0.23 -0.05 0.00 -1.21 0.00 0.00 61.69 60.26 2uwq s THR 18 Cb 0.06 -0.76 -0.06 0.00 -1.51 0.00 0.00 72.50 70.23 2uwq s THR 18 CO -0.11 -0.04 0.48 -1.83 -2.21 0.00 0.00 174.62 170.91 2uwq s GLU 19 N 1.95 3.65 -0.16 7.08 -1.05 -1.26 -0.08 118.70 128.83 2uwq s GLU 19 Ca 0.02 -0.01 -0.11 0.00 -0.15 0.00 0.00 54.97 54.72 2uwq s GLU 19 Cb -0.15 -2.73 0.05 0.00 -0.44 0.00 0.00 34.13 30.86 2uwq s GLU 19 CO -0.07 0.34 0.40 0.14 0.95 0.00 0.00 175.26 177.02 2uwq s VAL 20 N -1.86 -0.02 -0.53 1.83 -7.23 -0.53 -4.94 120.40 107.11 2uwq s VAL 20 Ca 0.43 0.06 -0.21 0.00 -1.81 0.00 0.00 61.98 60.44 2uwq s VAL 20 Cb -0.11 -0.57 0.05 0.00 0.56 0.00 0.00 36.38 36.31 2uwq s VAL 20 CO 0.26 0.02 0.78 -2.16 -0.31 0.00 0.00 175.10 173.70 2uwq s PRO 21 N 0.90 3.21 0.07 4.82 0.04 -1.26 -1.62 135.00 141.16 2uwq s PRO 21 Ca -0.06 -0.62 0.07 0.00 0.04 0.00 0.00 61.00 60.43 2uwq s PRO 21 Cb -0.06 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 2uwq s PRO 21 CO -0.07 -1.37 -0.14 0.54 0.04 0.00 0.00 177.00 176.00 2uwq s VAL 22 N 3.27 3.07 0.45 -0.36 0.11 -0.85 -4.96 120.40 121.13 2uwq s VAL 22 Ca 0.22 -1.23 0.06 0.00 -2.93 0.00 0.00 61.98 58.10 2uwq s VAL 22 Cb -0.16 -2.37 0.01 0.00 -1.53 0.00 0.00 36.38 32.33 2uwq s VAL 22 CO 0.15 0.23 0.62 0.42 -3.33 0.00 0.00 175.10 173.19 2uwq s THR 23 N -1.06 3.05 -1.08 5.04 -4.23 -1.26 -4.02 115.64 112.07 2uwq s THR 23 Ca 0.18 -0.89 -0.08 0.00 -1.18 0.00 0.00 61.69 59.72 2uwq s THR 23 Cb -0.11 -3.06 -0.06 0.00 1.34 0.00 0.00 72.50 70.61 2uwq s THR 23 CO 0.09 -0.03 2.30 -0.81 -0.54 0.00 0.00 174.62 175.63 2uwq n PRO 24 N -1.97 2.44 0.00 3.99 -0.04 -1.26 -3.17 135.00 135.00 2uwq n PRO 24 Ca 0.07 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 2uwq n PRO 24 Cb 0.59 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 2uwq n PRO 24 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2uwq n GLU 25 N 4.23 0.00 -3.44 0.54 -0.58 -1.26 -5.08 120.64 115.06 2uwq n GLU 25 Ca 0.53 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.95 2uwq n GLU 25 Cb 0.17 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.99 2uwq n GLU 25 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2uwq s THR 26 N -2.00 4.96 -0.03 2.62 -4.23 -1.19 -5.04 115.64 110.73 2uwq s THR 26 Ca 0.00 0.42 -0.00 0.00 -1.18 0.00 0.00 61.69 60.93 2uwq s THR 26 Cb 0.00 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.25 2uwq s THR 26 CO 0.00 -0.07 0.02 0.27 -0.54 0.00 0.00 174.62 174.30 2uwq s ILE 27 N -1.81 0.07 0.00 2.99 -0.00 -1.26 -3.92 121.20 117.27 2uwq s ILE 27 Ca 0.47 0.17 0.00 0.00 -0.00 0.00 0.00 60.65 61.29 2uwq s ILE 27 Cb -0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 42.46 42.15 2uwq s ILE 27 CO 0.22 0.13 0.00 0.00 -0.00 0.00 0.00 174.94 175.29 2uwq h ARG 29 N 0.00 0.32 -0.09 0.00 9.65 -1.90 -2.28 114.38 120.08 2uwq h ARG 29 Ca 0.00 -0.55 -0.16 0.00 -1.10 0.00 0.00 59.98 58.18 2uwq h ARG 29 Cb 0.28 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 2uwq h ARG 29 CO 0.00 1.26 -0.62 -0.44 2.80 0.00 0.00 179.97 182.97 2uwq h ASP 30 N -0.15 0.38 0.23 -3.80 3.45 -1.96 0.34 116.42 114.92 2uwq h ASP 30 Ca -0.30 -0.22 -0.01 0.00 0.43 0.00 0.00 57.03 56.93 2uwq h ASP 30 Cb 1.89 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 40.55 2uwq h ASP 30 CO 0.12 0.91 -0.11 0.58 -1.57 0.00 0.00 179.24 179.17 2uwq h VAL 31 N 0.25 0.83 -0.03 -1.35 2.07 -1.92 -1.71 116.25 114.40 2uwq h VAL 31 Ca -0.01 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2uwq h VAL 31 Cb 1.15 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2uwq h VAL 31 CO 0.10 0.07 -0.13 0.58 0.02 0.00 0.00 177.57 178.22 2uwq h VAL 32 N -0.47 1.49 -0.92 2.57 2.07 -1.41 -1.52 116.25 118.06 2uwq h VAL 32 Ca -0.03 -1.63 0.18 0.00 0.82 0.00 0.00 66.70 66.04 2uwq h VAL 32 Cb 0.36 2.49 -0.11 0.00 -1.52 0.00 0.00 31.29 32.51 2uwq h VAL 32 CO 0.05 0.44 0.49 -0.78 0.02 0.00 0.00 177.57 177.79 2uwq h ASP 33 N -0.47 0.57 0.50 0.57 1.82 -0.37 0.21 116.42 119.25 2uwq h ASP 33 Ca -0.01 0.11 -0.30 0.00 -0.39 0.00 0.00 57.03 56.45 2uwq h ASP 33 Cb 0.79 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 2uwq h ASP 33 CO 0.03 0.18 -1.49 -0.07 -1.61 0.00 0.00 179.24 176.28 2uwq h LEU 34 N 0.61 0.35 -3.56 2.28 3.38 -1.37 -3.33 115.31 113.68 2uwq h LEU 34 Ca 0.53 -0.48 -0.41 0.00 0.09 0.00 0.00 57.88 57.61 2uwq h LEU 34 Cb 0.86 -0.12 -0.24 0.00 0.09 0.00 0.00 40.66 41.26 2uwq h LEU 34 CO -0.41 1.40 0.52 0.00 0.09 0.00 0.00 178.44 180.04 2uwq s LYS 36 N -2.58 1.81 0.00 0.00 -0.14 -0.01 -4.72 119.74 114.11 2uwq s LYS 36 Ca 0.45 -1.11 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 2uwq s LYS 36 Cb 0.37 -2.01 0.00 0.00 -1.68 0.00 0.00 37.83 34.51 2uwq s LYS 36 CO 0.08 0.51 0.00 -1.91 -0.76 0.00 0.00 175.35 173.27 2uwq n GLU 37 N 1.64 0.00 0.12 1.68 4.07 -1.26 -4.96 120.64 121.93 2uwq n GLU 37 Ca -0.17 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.13 2uwq n GLU 37 Cb 0.52 0.00 0.71 0.00 -0.06 0.00 0.00 31.44 32.61 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 -2.98 5.31 0.11 -2.02 -3.45 132.00 128.97 2uwq h PRO 38 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2uwq h PRO 38 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2uwq h PRO 38 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 2uwq n GLY 39 N -1.45 -0.33 3.43 -0.55 0.00 -1.26 -5.08 105.19 99.95 2uwq n GLY 39 Ca 0.07 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.82 2.81 -0.08 1.61 2.56 -1.26 -5.10 118.70 116.43 2uwq s GLU 40 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 54.97 53.97 2uwq s GLU 40 Cb 0.00 -2.46 -0.02 0.00 2.00 0.00 0.00 34.13 33.65 2uwq s GLU 40 CO 0.00 0.47 1.02 -1.12 -0.56 0.00 0.00 175.26 175.07 2uwq s SER 41 N -0.34 7.26 0.10 -1.70 0.01 -1.26 -4.65 113.70 113.12 2uwq s SER 41 Ca 0.03 1.59 0.00 0.00 1.31 0.00 0.00 55.95 58.88 2uwq s SER 41 Cb -0.13 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2uwq s SER 41 CO 0.02 -0.42 0.00 0.47 0.41 0.00 0.00 173.24 173.73 2uwq n ASP 42 N 4.76 -9.02 -3.81 2.44 8.00 -1.26 -4.61 116.55 113.04 2uwq n ASP 42 Ca 0.08 1.59 -0.12 0.00 0.71 0.00 0.00 54.79 57.05 2uwq n ASP 42 Cb 0.49 -4.99 -0.11 0.00 -0.02 0.00 0.00 41.12 36.49 2uwq n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uwq s HIS 44 N -0.43 2.41 0.06 0.00 -3.43 -1.10 -4.73 115.29 108.06 2uwq s HIS 44 Ca -0.05 -0.30 -0.03 0.00 -0.80 0.00 0.00 55.06 53.87 2uwq s HIS 44 Cb -0.04 -1.09 -0.05 0.00 -1.43 0.00 0.00 32.58 29.98 2uwq s HIS 44 CO 0.01 0.64 0.26 -1.17 -2.00 0.00 0.00 174.74 172.47 2uwq s LEU 45 N -3.30 4.34 0.16 5.38 2.96 -0.21 -1.63 118.68 126.38 2uwq s LEU 45 Ca 0.28 0.42 0.08 0.00 -0.22 0.00 0.00 54.13 54.68 2uwq s LEU 45 Cb -0.06 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 2uwq s LEU 45 CO 0.15 0.17 -0.05 0.00 -1.32 0.00 0.00 176.35 175.31 2uwq s ALA 46 N -1.47 3.08 -0.20 5.97 0.00 0.69 0.48 121.76 130.32 2uwq s ALA 46 Ca 0.34 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 2uwq s ALA 46 Cb -0.13 -0.91 0.05 0.00 0.00 0.00 0.00 23.12 22.14 2uwq s ALA 46 CO 0.23 0.52 -0.02 -1.83 0.00 0.00 0.00 175.76 174.67 2uwq s GLU 47 N -2.72 1.15 -0.11 0.00 -1.05 -0.22 -1.83 118.70 113.93 2uwq s GLU 47 Ca 0.25 -0.61 0.02 0.00 -0.15 0.00 0.00 54.97 54.49 2uwq s GLU 47 Cb -0.10 -2.20 0.01 0.00 -0.44 0.00 0.00 34.13 31.41 2uwq s GLU 47 CO 0.17 -0.56 -0.17 0.08 0.95 0.00 0.00 175.26 175.72 2uwq s VAL 48 N 1.66 1.62 -0.11 1.83 1.01 -0.81 0.28 120.40 125.88 2uwq s VAL 48 Ca -0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 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 0.46 0.23 -1.66 0.00 0.00 0.00 175.10 174.06 2uwq s TRP 49 N 0.84 -0.33 -1.66 5.22 -2.14 0.14 -0.54 118.94 120.47 2uwq s TRP 49 Ca -0.09 0.83 -0.14 0.00 2.66 0.00 0.00 56.10 59.35 2uwq s TRP 49 Cb -0.16 -0.08 0.12 0.00 -3.10 0.00 0.00 33.47 30.26 2uwq s TRP 49 CO 0.00 -0.30 0.62 0.00 -2.66 0.00 0.00 176.95 174.61 2uwq n GLY 51 N -1.58 1.34 3.43 0.00 0.00 -1.26 -5.00 105.19 102.12 2uwq n GLY 51 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.67 6.37 -0.14 1.61 0.01 0.30 -5.01 113.70 114.17 2uwq s SER 52 Ca 0.00 -1.56 -0.04 0.00 1.31 0.00 0.00 55.95 55.66 2uwq s SER 52 Cb 0.00 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 2uwq s SER 52 CO 0.00 -1.19 -0.01 -0.70 0.41 0.00 0.00 173.24 171.75 2uwq s GLU 53 N 3.09 3.56 0.02 12.44 2.12 -1.26 0.29 118.70 138.97 2uwq s GLU 53 Ca 0.24 -0.45 -0.09 0.00 0.36 0.00 0.00 54.97 55.02 2uwq s GLU 53 Cb -0.13 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.31 2uwq s GLU 53 CO 0.01 0.37 0.19 1.03 -0.54 0.00 0.00 175.26 176.31 2uwq s ARG 54 N 0.05 0.63 -0.28 4.30 0.52 0.14 -4.97 118.95 119.35 2uwq s ARG 54 Ca 0.02 -0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 54.41 2uwq s ARG 54 Cb -0.13 0.26 0.01 0.00 0.52 0.00 0.00 34.95 35.62 2uwq s ARG 54 CO 0.02 -0.17 1.06 -1.25 0.02 0.00 0.00 175.30 174.97 2uwq s PRO 55 N -2.15 4.16 -0.20 3.54 0.04 -1.26 -1.06 135.00 138.08 2uwq s PRO 55 Ca -0.08 1.21 -0.09 0.00 0.04 0.00 0.00 61.00 62.08 2uwq s PRO 55 Cb -0.03 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 2uwq s PRO 55 CO -0.02 -0.77 0.10 0.54 0.04 0.00 0.00 177.00 176.89 2uwq s VAL 56 N 3.43 5.07 0.38 -0.36 0.11 0.18 -4.93 120.40 124.27 2uwq s VAL 56 Ca 0.45 0.07 -0.24 0.00 -2.93 0.00 0.00 61.98 59.33 2uwq s VAL 56 Cb -0.14 -3.30 -0.10 0.00 -1.53 0.00 0.00 36.38 31.31 2uwq s VAL 56 CO 0.11 0.44 0.97 0.00 -3.33 0.00 0.00 175.10 173.29 2uwq s ALA 57 N 0.46 3.12 -0.69 1.54 0.00 -1.26 -1.04 121.76 123.89 2uwq s ALA 57 Ca 0.05 0.53 0.13 0.00 0.00 0.00 0.00 51.96 52.67 2uwq s ALA 57 Cb -0.12 -3.19 0.61 0.00 0.00 0.00 0.00 23.12 20.41 2uwq s ALA 57 CO -0.00 0.06 1.39 -0.25 0.00 0.00 0.00 175.76 176.96 2uwq n ASP 58 N 0.00 0.27 -1.59 0.00 8.00 -1.26 -1.56 116.55 120.41 2uwq n ASP 58 Ca 0.04 0.60 0.08 0.00 0.71 0.00 0.00 54.79 56.23 2uwq n ASP 58 Cb 0.51 -0.65 0.35 0.00 -0.02 0.00 0.00 41.12 41.32 2uwq n ASP 58 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2uwq n ASN 59 N -1.84 4.73 -4.69 -2.24 5.15 -1.26 -3.20 115.26 111.92 2uwq n ASN 59 Ca 0.01 -2.52 -0.39 0.00 -0.60 0.00 0.00 54.58 51.07 2uwq n ASN 59 Cb 0.08 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 38.67 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2uwq s GLU 60 N -2.02 4.27 0.43 1.20 2.02 -0.60 -4.89 118.70 119.11 2uwq s GLU 60 Ca 0.49 0.52 -0.25 0.00 0.02 0.00 0.00 54.97 55.75 2uwq s GLU 60 Cb 0.33 -3.51 -0.08 0.00 0.10 0.00 0.00 34.13 30.97 2uwq s GLU 60 CO 0.21 -0.05 1.22 1.03 0.02 0.00 0.00 175.26 177.69 2uwq s ARG 61 N 1.29 3.90 0.00 1.61 3.00 -1.26 -3.09 118.95 124.40 2uwq s ARG 61 Ca 0.27 1.93 0.00 0.00 0.00 0.00 0.00 55.73 57.93 2uwq s ARG 61 Cb -0.16 -2.60 0.00 0.00 0.00 0.00 0.00 34.95 32.19 2uwq s ARG 61 CO 0.11 -0.48 0.36 -0.12 0.00 0.00 0.00 175.30 175.16 2uwq n MET 62 N -0.12 0.00 -0.09 3.54 0.00 -1.25 0.52 117.12 119.71 2uwq n MET 62 Ca 0.05 0.36 0.16 0.00 -0.00 0.00 0.00 57.70 58.27 2uwq n MET 62 Cb 0.46 -0.71 0.56 0.00 0.00 0.00 0.00 33.22 33.53 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 0.32 -0.94 1.12 0.04 -1.90 -0.19 116.94 115.39 2uwq h PHE 63 Ca 0.00 0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.91 2uwq h PHE 63 Cb 0.00 -0.10 -0.09 0.00 2.20 0.00 0.00 35.95 37.96 2uwq h PHE 63 CO -0.01 0.13 0.57 -0.44 -0.60 0.00 0.00 178.31 177.96 2uwq h ASP 64 N 0.29 0.79 1.29 2.17 3.32 -0.28 0.36 116.42 124.36 2uwq h ASP 64 Ca 0.31 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.28 2uwq h ASP 64 Cb 0.81 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2uwq h ASP 64 CO -0.07 0.40 -0.64 0.58 -1.72 0.00 0.00 179.24 177.78 2uwq h VAL 65 N 0.86 1.13 0.00 -1.35 2.07 0.12 -3.19 116.25 115.90 2uwq h VAL 65 Ca 0.49 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 65.47 2uwq h VAL 65 Cb 0.55 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2uwq h VAL 65 CO -0.30 0.63 0.00 0.25 0.02 0.00 0.00 177.57 178.18 2uwq h LEU 66 N 0.00 0.00 0.00 2.57 5.85 0.39 -3.11 115.31 121.01 2uwq h LEU 66 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2uwq h LEU 66 Cb 1.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.49 2uwq h LEU 66 CO 0.08 0.00 -0.37 0.06 -0.34 0.00 0.00 178.44 177.88 2uwq h GLN 67 N 0.00 0.00 0.00 1.25 3.07 -0.60 -3.32 115.11 115.51 2uwq h GLN 67 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.53 2uwq h GLN 67 Cb 0.62 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.15 2uwq h GLN 67 CO 0.00 0.00 -1.01 0.07 0.09 0.00 0.00 178.83 177.98 2uwq h ARG 68 N 0.00 0.01 -0.05 0.06 0.11 -1.67 -3.25 114.38 109.58 2uwq h ARG 68 Ca 0.00 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 2uwq h ARG 68 Cb 0.93 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.01 2uwq h ARG 68 CO 0.00 1.00 -0.28 0.74 0.10 0.00 0.00 179.97 181.54 2uwq h PHE 69 N 0.00 0.09 0.00 4.08 0.04 -1.68 -3.49 116.94 115.98 2uwq h PHE 69 Ca -0.01 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2uwq h PHE 69 Cb 1.77 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.90 2uwq h PHE 69 CO 0.00 0.36 0.00 0.41 -0.60 0.00 0.00 178.31 178.48 2uwq n GLY 70 N -0.65 0.47 1.59 -1.45 0.00 -1.23 -4.51 105.19 99.42 2uwq n GLY 70 Ca -0.02 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 3.11 -3.44 1.61 2.88 -1.26 -4.78 113.62 111.74 2uwq n SER 71 Ca 0.00 -3.74 -0.28 0.00 -1.33 0.00 0.00 58.87 53.53 2uwq n SER 71 Cb 0.00 -0.71 -0.11 0.00 -0.75 0.00 0.00 64.21 62.64 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 -3.30 0.86 0.11 -1.46 1.11 -1.26 -4.95 119.66 110.77 2uwq s GLN 72 Ca 0.50 -1.90 0.12 0.00 0.01 0.00 0.00 55.36 54.08 2uwq s GLN 72 Cb 0.44 -1.48 -0.14 0.00 -1.01 0.00 0.00 33.01 30.82 2uwq s GLN 72 CO 0.03 -1.32 1.11 0.07 0.01 0.00 0.00 175.29 175.20 2uwq h ARG 73 N 6.10 0.00 -0.73 2.91 -0.00 -1.86 -3.28 114.38 117.53 2uwq h ARG 73 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.15 2uwq h ARG 73 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.88 2uwq h ARG 73 CO 0.35 0.66 0.03 0.09 -0.00 0.00 0.00 179.97 181.10 2uwq n ASN 74 N -3.18 4.22 -0.01 0.08 4.13 -1.26 -3.79 115.26 115.45 2uwq n ASN 74 Ca -0.05 -2.67 0.01 0.00 1.68 0.00 0.00 54.58 53.55 2uwq n ASN 74 Cb 0.90 -0.64 -0.01 0.00 -1.54 0.00 0.00 39.78 38.50 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 0.36 5.72 -3.19 3.52 4.07 -1.23 -5.05 120.64 124.83 2uwq n GLU 75 Ca 0.21 -0.05 -0.23 0.00 -0.06 0.00 0.00 57.16 57.02 2uwq n GLU 75 Cb 0.93 -0.64 -0.00 0.00 -0.06 0.00 0.00 31.44 31.67 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 -1.11 4.64 -0.01 6.31 0.11 -1.25 -3.94 120.40 125.15 2uwq s VAL 76 Ca 0.01 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 58.64 2uwq s VAL 76 Cb 0.02 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 31.16 2uwq s VAL 76 CO 0.08 -0.48 -0.13 -0.13 -3.33 0.00 0.00 175.10 171.11 2uwq s ARG 77 N -4.43 1.12 -0.12 1.54 0.52 0.30 -4.89 118.95 113.00 2uwq s ARG 77 Ca 0.44 -0.47 -0.03 0.00 -0.52 0.00 0.00 55.73 55.14 2uwq s ARG 77 Cb -0.10 -1.07 -0.03 0.00 0.52 0.00 0.00 34.95 34.27 2uwq s ARG 77 CO 0.37 0.27 0.01 -0.06 0.02 0.00 0.00 175.30 175.91 2uwq s PHE 78 N -0.25 3.16 -0.00 -0.53 2.99 -0.17 -1.93 117.98 121.25 2uwq s PHE 78 Ca 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 56.93 57.03 2uwq s PHE 78 Cb -0.06 -1.87 -0.00 0.00 0.00 0.00 0.00 43.02 41.09 2uwq s PHE 78 CO -0.00 0.33 0.06 -0.06 -0.00 0.00 0.00 175.22 175.55 2uwq s PHE 79 N -0.45 0.07 -0.28 0.36 0.08 -0.76 0.14 117.98 117.13 2uwq s PHE 79 Ca 0.08 -0.14 -0.18 0.00 0.12 0.00 0.00 56.93 56.81 2uwq s PHE 79 Cb -0.12 -0.07 -0.02 0.00 -0.57 0.00 0.00 43.02 42.24 2uwq s PHE 79 CO 0.02 -0.16 0.52 -1.17 -0.10 0.00 0.00 175.22 174.33 2uwq s LEU 80 N -0.89 4.11 -0.05 -0.37 1.98 -0.87 -0.23 118.68 122.37 2uwq s LEU 80 Ca -0.10 0.39 0.01 0.00 -2.89 0.00 0.00 54.13 51.55 2uwq s LEU 80 Cb -0.06 -2.65 -0.03 0.00 0.66 0.00 0.00 46.19 44.11 2uwq s LEU 80 CO 0.00 -0.34 -0.06 -0.13 -1.89 0.00 0.00 176.35 173.93 2uwq s ARG 81 N 2.35 2.73 -0.37 1.98 1.81 -0.64 -4.81 118.95 122.00 2uwq s ARG 81 Ca 0.21 -0.57 -0.17 0.00 -1.72 0.00 0.00 55.73 53.47 2uwq s ARG 81 Cb -0.15 -2.60 0.00 0.00 -0.45 0.00 0.00 34.95 31.75 2uwq s ARG 81 CO 0.10 0.66 0.46 -1.01 -0.68 0.00 0.00 175.30 174.83 2uwq s HIS 82 N -0.86 3.18 0.00 -0.53 3.76 -1.26 -2.71 115.29 116.86 2uwq s HIS 82 Ca 0.14 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 2uwq s HIS 82 Cb -0.11 -2.88 0.00 0.00 1.11 0.00 0.00 32.58 30.70 2uwq s HIS 82 CO 0.03 -0.58 0.00 -1.91 -0.85 0.00 0.00 174.74 171.43