#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 -0.36 3.75 -0.02 0.00 -1.26 -5.15 105.19 102.16 2uwq n GLY -1 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2uwq n GLY -1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2uwq n SER 0 N -0.53 3.04 -4.17 1.61 7.64 -1.26 -5.01 113.62 114.93 2uwq n SER 0 Ca -0.23 1.08 -0.28 0.00 1.01 0.00 0.00 58.87 60.45 2uwq n SER 0 Cb 0.68 -1.58 -0.16 0.00 -1.01 0.00 0.00 64.21 62.14 2uwq n SER 0 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2uwq s MET 1 N -2.52 2.23 0.10 1.43 0.00 -1.26 -5.05 119.30 114.22 2uwq s MET 1 Ca 0.64 -0.71 -0.28 0.00 0.00 0.00 0.00 55.69 55.34 2uwq s MET 1 Cb -0.45 -1.84 -0.12 0.00 0.00 0.00 0.00 34.83 32.42 2uwq s MET 1 CO 0.55 0.24 1.65 0.52 0.00 0.00 0.00 175.02 177.98 2uwq h MET 2 N 6.40 -0.48 0.00 4.11 2.86 -2.04 -3.44 114.93 122.34 2uwq h MET 2 Ca -0.29 0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.32 2uwq h MET 2 Cb 1.19 0.11 0.04 0.00 0.06 0.00 0.00 31.60 33.00 2uwq h MET 2 CO 0.47 -0.32 -0.03 -0.35 1.06 0.00 0.00 176.91 177.74 2uwq n PRO 3 N -5.36 -1.93 -3.93 -0.22 -0.04 -1.26 -5.07 135.00 117.19 2uwq n PRO 3 Ca -0.08 -0.25 -0.20 0.00 -0.04 0.00 0.00 63.50 62.92 2uwq n PRO 3 Cb 0.27 -0.36 -0.06 0.00 -0.04 0.00 0.00 33.50 33.31 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 -2.29 0.63 -4.17 0.54 2.81 -1.26 -5.00 117.12 108.38 2uwq n MET 4 Ca 0.02 -2.78 -0.10 0.00 -1.81 0.00 0.00 57.70 53.03 2uwq n MET 4 Cb 0.10 1.56 -0.10 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 -2.80 0.89 0.00 2.03 -0.12 -1.26 -1.18 117.98 115.55 2uwq s PHE 5 Ca 0.18 -1.03 0.05 0.00 -0.05 0.00 0.00 56.93 56.08 2uwq s PHE 5 Cb 0.01 -0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 41.86 2uwq s PHE 5 CO 0.12 -0.28 -0.15 -0.48 -0.05 0.00 0.00 175.22 174.39 2uwq s LEU 6 N -3.05 2.07 -0.40 -1.99 0.05 -0.25 -4.89 118.68 110.21 2uwq s LEU 6 Ca 0.16 -0.32 -0.19 0.00 0.05 0.00 0.00 54.13 53.83 2uwq s LEU 6 Cb 0.06 -0.75 0.01 0.00 -2.05 0.00 0.00 46.19 43.47 2uwq s LEU 6 CO -0.02 0.15 0.54 -0.89 -0.55 0.00 0.00 176.35 175.58 2uwq s THR 7 N -0.48 4.97 0.22 5.48 2.01 -1.26 -1.45 115.64 125.13 2uwq s THR 7 Ca 0.05 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.09 2uwq s THR 7 Cb -0.06 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2uwq s THR 7 CO -0.00 -0.42 0.42 -0.69 -0.69 0.00 0.00 174.62 173.24 2uwq s VAL 8 N 2.47 5.18 -0.10 3.82 1.01 0.42 -1.03 120.40 132.17 2uwq s VAL 8 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2uwq s VAL 8 Cb -0.15 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2uwq s VAL 8 CO 0.15 -0.22 -0.10 -0.31 0.00 0.00 0.00 175.10 174.63 2uwq s TYR 9 N -1.92 2.86 -0.05 5.22 4.12 0.32 0.17 117.35 128.08 2uwq s TYR 9 Ca 0.39 -0.28 -0.06 0.00 0.02 0.00 0.00 57.07 57.14 2uwq s TYR 9 Cb -0.11 -1.78 0.01 0.00 -1.52 0.00 0.00 41.96 38.56 2uwq s TYR 9 CO 0.30 0.06 0.15 -0.48 0.02 0.00 0.00 175.55 175.60 2uwq s LEU 10 N -0.22 1.45 0.00 -1.29 -0.00 -0.98 -1.95 118.68 115.70 2uwq s LEU 10 Ca 0.02 0.21 0.00 0.00 -0.00 0.00 0.00 54.13 54.36 2uwq s LEU 10 Cb -0.13 0.55 0.00 0.00 -0.00 0.00 0.00 46.19 46.61 2uwq s LEU 10 CO 0.03 -0.11 0.00 -0.24 -0.00 0.00 0.00 176.35 176.03 2uwq n SER 11 N 2.71 -0.08 -4.57 1.48 2.88 -1.26 -4.59 113.62 110.18 2uwq n SER 11 Ca -0.14 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.25 2uwq n SER 11 Cb 0.58 0.86 -0.10 0.00 -0.75 0.00 0.00 64.21 64.80 2uwq n SER 11 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2uwq s ASN 12 N -2.50 3.56 -0.30 -3.46 -0.87 -1.26 -4.72 114.94 105.39 2uwq s ASN 12 Ca 0.00 -0.60 -0.26 0.00 -1.57 0.00 0.00 52.86 50.43 2uwq s ASN 12 Cb 0.00 -2.58 0.19 0.00 -0.02 0.00 0.00 41.25 38.84 2uwq s ASN 12 CO 0.00 -4.49 1.45 0.21 -2.57 0.00 0.00 177.10 171.70 2uwq s ASN 13 N 9.40 -0.03 -0.17 -1.22 2.47 -1.26 -5.02 114.94 119.10 2uwq s ASN 13 Ca 0.86 0.06 0.10 0.00 0.42 0.00 0.00 52.86 54.29 2uwq s ASN 13 Cb -0.08 0.06 0.59 0.00 -1.45 0.00 0.00 41.25 40.37 2uwq s ASN 13 CO 0.15 -0.01 1.40 -0.62 -3.72 0.00 0.00 177.10 174.30 2uwq n GLU 14 N 1.38 3.79 0.00 0.43 1.02 -1.26 -3.93 120.64 122.06 2uwq n GLU 14 Ca -0.08 -2.27 0.00 0.00 -0.02 0.00 0.00 57.16 54.79 2uwq n GLU 14 Cb 0.57 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 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 0.43 3.32 -3.63 3.49 1.13 -1.26 -5.01 117.38 115.86 2uwq n GLN 15 Ca 0.20 -0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.88 2uwq n GLN 15 Cb 0.94 -0.25 -0.11 0.00 0.11 0.00 0.00 30.24 30.93 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 -0.48 3.24 0.07 1.08 2.46 -1.25 -5.05 115.29 115.37 2uwq s HIS 16 Ca 0.00 0.12 -0.05 0.00 0.47 0.00 0.00 55.06 55.60 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 -0.09 0.09 -0.59 -2.47 0.00 0.00 174.74 171.67 2uwq s PHE 17 N 1.50 0.33 -0.17 3.88 -0.71 -1.26 -2.31 117.98 119.24 2uwq s PHE 17 Ca 0.07 -0.82 -0.00 0.00 -1.04 0.00 0.00 56.93 55.14 2uwq s PHE 17 Cb -0.15 -0.22 0.04 0.00 -1.21 0.00 0.00 43.02 41.49 2uwq s PHE 17 CO 0.08 -0.47 -0.05 -0.08 -1.34 0.00 0.00 175.22 173.36 2uwq s THR 18 N -3.89 1.15 0.23 -4.49 -1.32 0.45 -4.89 115.64 102.88 2uwq s THR 18 Ca 0.06 -0.68 -0.05 0.00 -1.21 0.00 0.00 61.69 59.81 2uwq s THR 18 Cb 0.06 -1.33 -0.06 0.00 -1.51 0.00 0.00 72.50 69.66 2uwq s THR 18 CO -0.10 0.11 0.48 -1.83 -2.21 0.00 0.00 174.62 171.08 2uwq s GLU 19 N 1.61 3.65 -0.23 7.08 1.03 -1.26 -0.44 118.70 130.14 2uwq s GLU 19 Ca 0.00 -0.02 -0.21 0.00 0.03 0.00 0.00 54.97 54.78 2uwq s GLU 19 Cb -0.15 -2.72 0.06 0.00 -0.80 0.00 0.00 34.13 30.51 2uwq s GLU 19 CO -0.08 0.32 0.61 0.14 -1.33 0.00 0.00 175.26 174.93 2uwq s VAL 20 N -1.89 -0.00 -0.48 1.83 -7.23 -0.53 -4.95 120.40 107.14 2uwq s VAL 20 Ca 0.43 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.40 2uwq s VAL 20 Cb -0.11 -0.86 0.04 0.00 0.56 0.00 0.00 36.38 36.01 2uwq s VAL 20 CO 0.27 0.00 0.70 -2.16 -0.31 0.00 0.00 175.10 173.59 2uwq s PRO 21 N 0.42 3.23 -0.05 4.82 0.04 -1.26 -1.09 135.00 141.12 2uwq s PRO 21 Ca -0.01 -0.54 0.05 0.00 0.04 0.00 0.00 61.00 60.55 2uwq s PRO 21 Cb -0.04 -4.02 -0.02 0.00 0.04 0.00 0.00 34.50 30.45 2uwq s PRO 21 CO -0.01 -1.18 -0.21 0.54 0.04 0.00 0.00 177.00 176.19 2uwq s VAL 22 N 2.97 2.48 0.65 -0.36 0.11 -0.32 -4.93 120.40 120.99 2uwq s VAL 22 Ca 0.21 -0.93 -0.05 0.00 -2.93 0.00 0.00 61.98 58.29 2uwq s VAL 22 Cb -0.16 -1.93 0.04 0.00 -1.53 0.00 0.00 36.38 32.81 2uwq s VAL 22 CO 0.17 0.58 0.94 0.42 -3.33 0.00 0.00 175.10 173.87 2uwq s THR 23 N -0.43 2.64 -1.09 5.04 -4.23 -1.26 -4.18 115.64 112.12 2uwq s THR 23 Ca 0.05 -0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.18 2uwq s THR 23 Cb -0.12 -3.09 -0.06 0.00 1.34 0.00 0.00 72.50 70.57 2uwq s THR 23 CO 0.01 -0.09 2.31 -0.81 -0.54 0.00 0.00 174.62 175.51 2uwq n PRO 24 N -2.73 2.48 0.02 3.99 -0.04 -1.26 -3.30 135.00 134.16 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 0.60 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 4.17 0.00 -3.13 0.54 4.07 -1.26 -5.08 120.64 119.95 2uwq n GLU 25 Ca 0.53 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.32 2uwq n GLU 25 Cb 0.17 -0.07 -0.04 0.00 -0.06 0.00 0.00 31.44 31.44 2uwq n GLU 25 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2uwq s THR 26 N -2.00 4.84 -0.03 6.31 -4.23 -1.21 -5.04 115.64 114.28 2uwq s THR 26 Ca 0.00 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 2uwq s THR 26 Cb 0.00 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.18 2uwq s THR 26 CO 0.00 -0.31 0.01 0.27 -0.54 0.00 0.00 174.62 174.04 2uwq s ILE 27 N -2.11 0.16 0.00 2.99 -5.25 -1.26 -4.20 121.20 111.53 2uwq s ILE 27 Ca 0.49 0.12 0.00 0.00 -0.99 0.00 0.00 60.65 60.27 2uwq s ILE 27 Cb -0.11 -0.28 0.00 0.00 2.95 0.00 0.00 42.46 45.03 2uwq s ILE 27 CO 0.26 0.15 0.00 0.00 -1.79 0.00 0.00 174.94 173.56 2uwq h ARG 29 N 0.00 0.15 -0.12 0.00 3.08 -1.90 -2.39 114.38 113.20 2uwq h ARG 29 Ca 0.00 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 2uwq h ARG 29 Cb 0.30 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2uwq h ARG 29 CO 0.00 1.04 -0.04 0.38 -1.07 0.00 0.00 179.97 180.28 2uwq h ASP 30 N 0.04 0.24 -0.13 7.04 3.04 -1.97 0.41 116.42 125.08 2uwq h ASP 30 Ca -0.14 -0.39 -0.00 0.00 -3.24 0.00 0.00 57.03 53.26 2uwq h ASP 30 Cb 1.92 -0.07 -0.01 0.00 -1.04 0.00 0.00 39.33 40.14 2uwq h ASP 30 CO 0.15 0.57 0.08 -0.37 -2.04 0.00 0.00 179.24 177.64 2uwq h VAL 31 N -0.10 1.07 -0.01 4.15 -1.51 -1.92 -2.00 116.25 115.93 2uwq h VAL 31 Ca 0.03 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 65.31 2uwq h VAL 31 Cb 0.47 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 2uwq h VAL 31 CO 0.01 0.06 -0.03 0.58 -1.23 0.00 0.00 177.57 176.97 2uwq h VAL 32 N 0.14 1.51 -0.54 7.19 2.07 -1.44 -0.72 116.25 124.48 2uwq h VAL 32 Ca 0.05 -1.56 0.09 0.00 0.82 0.00 0.00 66.70 66.10 2uwq h VAL 32 Cb 0.04 2.54 -0.07 0.00 -1.52 0.00 0.00 31.29 32.28 2uwq h VAL 32 CO -0.01 0.41 0.13 0.44 0.02 0.00 0.00 177.57 178.56 2uwq h ASP 33 N -0.60 0.04 0.52 0.57 3.45 -0.21 0.16 116.42 120.35 2uwq h ASP 33 Ca -0.00 0.09 -0.29 0.00 0.43 0.00 0.00 57.03 57.26 2uwq h ASP 33 Cb 0.69 0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.57 2uwq h ASP 33 CO 0.01 0.04 -1.43 -0.07 -1.57 0.00 0.00 179.24 176.22 2uwq h LEU 34 N 0.27 0.39 -3.96 1.55 3.38 -1.47 -3.33 115.31 112.14 2uwq h LEU 34 Ca 0.27 -0.49 -0.55 0.00 0.09 0.00 0.00 57.88 57.20 2uwq h LEU 34 Cb 0.37 -0.13 -0.30 0.00 0.09 0.00 0.00 40.66 40.70 2uwq h LEU 34 CO -0.34 1.40 0.71 0.00 0.09 0.00 0.00 178.44 180.30 2uwq n LYS 36 N -1.04 0.15 0.00 0.00 5.02 0.54 -4.81 118.16 118.02 2uwq n LYS 36 Ca 0.59 -1.96 0.00 0.00 -2.02 0.00 0.00 58.31 54.92 2uwq n LYS 36 Cb 1.36 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 35.92 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 -2.28 0.00 -0.31 1.97 1.02 -1.26 -4.95 120.64 114.83 2uwq n GLU 37 Ca 0.12 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.28 2uwq n GLU 37 Cb 0.42 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 31.99 2uwq n GLU 37 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2uwq n PRO 38 N 0.00 2.34 0.00 3.49 -0.04 -1.26 -4.98 135.00 134.55 2uwq n PRO 38 Ca 0.00 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 2uwq n PRO 38 Cb 0.00 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 2uwq n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2uwq n GLY 39 N 0.29 -2.88 3.55 0.55 0.00 -1.26 -4.76 105.19 100.69 2uwq n GLY 39 Ca 0.10 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 2uwq n GLY 39 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2uwq n GLU 40 N -0.25 0.88 -3.61 1.61 0.28 -1.26 -4.86 120.64 113.43 2uwq n GLU 40 Ca 0.00 -0.29 -0.29 0.00 -0.16 0.00 0.00 57.16 56.42 2uwq n GLU 40 Cb 0.00 -3.54 -0.15 0.00 1.43 0.00 0.00 31.44 29.18 2uwq n GLU 40 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2uwq s SER 41 N 11.85 3.71 -1.24 -1.84 1.04 -1.26 -4.89 113.70 121.08 2uwq s SER 41 Ca 0.96 -1.42 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 2uwq s SER 41 Cb -0.16 -0.53 -0.01 0.00 0.10 0.00 0.00 66.02 65.42 2uwq s SER 41 CO 0.20 -0.43 0.78 0.47 0.98 0.00 0.00 173.24 175.24 2uwq n ASP 42 N 5.09 -2.47 -4.64 7.02 9.92 -1.26 -4.86 116.55 125.35 2uwq n ASP 42 Ca -0.04 -0.80 -0.23 0.00 -0.53 0.00 0.00 54.79 53.18 2uwq n ASP 42 Cb 0.42 -4.27 -0.07 0.00 -0.64 0.00 0.00 41.12 36.56 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 -2.28 0.51 0.05 0.00 -3.43 -1.16 -4.72 115.29 104.26 2uwq s HIS 44 Ca 0.31 -0.96 -0.00 0.00 -0.80 0.00 0.00 55.06 53.60 2uwq s HIS 44 Cb -0.07 -0.37 -0.04 0.00 -1.43 0.00 0.00 32.58 30.67 2uwq s HIS 44 CO 0.20 -0.33 0.19 -1.17 -2.00 0.00 0.00 174.74 171.63 2uwq s LEU 45 N -2.68 4.31 0.14 5.38 1.98 -0.31 -1.92 118.68 125.58 2uwq s LEU 45 Ca 0.04 0.26 0.09 0.00 -2.89 0.00 0.00 54.13 51.63 2uwq s LEU 45 Cb 0.05 -2.87 -0.04 0.00 0.66 0.00 0.00 46.19 43.99 2uwq s LEU 45 CO -0.08 0.18 -0.19 0.00 -1.89 0.00 0.00 176.35 174.38 2uwq s ALA 46 N -1.47 2.67 -0.20 5.97 0.00 0.61 0.32 121.76 129.66 2uwq s ALA 46 Ca 0.33 -1.42 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 2uwq s ALA 46 Cb -0.13 -0.59 0.05 0.00 0.00 0.00 0.00 23.12 22.45 2uwq s ALA 46 CO 0.26 0.55 -0.03 -1.83 0.00 0.00 0.00 175.76 174.71 2uwq s GLU 47 N -2.30 1.33 -0.11 0.00 -1.05 -0.50 -1.82 118.70 114.25 2uwq s GLU 47 Ca 0.19 -0.71 0.02 0.00 -0.15 0.00 0.00 54.97 54.32 2uwq s GLU 47 Cb -0.10 -2.30 0.01 0.00 -0.44 0.00 0.00 34.13 31.31 2uwq s GLU 47 CO 0.10 -0.56 -0.17 0.08 0.95 0.00 0.00 175.26 175.67 2uwq s VAL 48 N 1.58 1.62 -0.10 1.83 1.01 -0.78 0.05 120.40 125.60 2uwq s VAL 48 Ca -0.03 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2uwq s VAL 48 Cb -0.17 -1.46 0.05 0.00 0.00 0.00 0.00 36.38 34.79 2uwq s VAL 48 CO -0.07 0.46 0.22 -1.66 0.00 0.00 0.00 175.10 174.06 2uwq s TRP 49 N 0.92 -0.31 -1.31 5.22 -2.14 0.80 -0.50 118.94 121.62 2uwq s TRP 49 Ca -0.07 0.77 -0.10 0.00 2.66 0.00 0.00 56.10 59.35 2uwq s TRP 49 Cb -0.15 -0.03 0.08 0.00 -3.10 0.00 0.00 33.47 30.27 2uwq s TRP 49 CO -0.01 -0.26 0.51 0.00 -2.66 0.00 0.00 176.95 174.53 2uwq n GLY 51 N -1.18 0.92 3.44 0.00 0.00 -1.26 -5.01 105.19 102.10 2uwq n GLY 51 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.61 6.37 -0.12 1.61 0.01 0.28 -5.01 113.70 114.21 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 63.80 2uwq s SER 52 CO 0.00 -1.23 0.02 -1.83 0.41 0.00 0.00 173.24 170.61 2uwq s GLU 53 N 3.26 3.38 0.03 12.44 4.04 -1.26 -0.14 118.70 140.45 2uwq s GLU 53 Ca 0.25 -0.39 -0.10 0.00 0.04 0.00 0.00 54.97 54.77 2uwq s GLU 53 Cb -0.13 -2.95 0.01 0.00 0.02 0.00 0.00 34.13 31.08 2uwq s GLU 53 CO 0.01 0.53 0.21 1.03 -1.84 0.00 0.00 175.26 175.21 2uwq s ARG 54 N -0.39 0.66 -0.37 -4.83 1.81 0.11 -4.96 118.95 110.99 2uwq s ARG 54 Ca 0.08 -0.51 -0.29 0.00 -1.72 0.00 0.00 55.73 53.29 2uwq s ARG 54 Cb -0.12 0.28 0.02 0.00 -0.45 0.00 0.00 34.95 34.68 2uwq s ARG 54 CO 0.02 -0.19 1.09 -1.25 -0.68 0.00 0.00 175.30 174.29 2uwq s PRO 55 N -2.17 3.96 -0.14 3.54 0.04 -1.26 -1.41 135.00 137.56 2uwq s PRO 55 Ca -0.08 0.91 -0.07 0.00 0.04 0.00 0.00 61.00 61.81 2uwq s PRO 55 Cb -0.03 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 2uwq s PRO 55 CO -0.02 -1.04 0.09 0.14 0.04 0.00 0.00 177.00 176.22 2uwq s VAL 56 N 3.87 5.07 0.45 -0.36 -7.23 0.15 -4.95 120.40 117.41 2uwq s VAL 56 Ca 0.46 0.05 -0.20 0.00 -1.81 0.00 0.00 61.98 60.48 2uwq s VAL 56 Cb -0.11 -3.24 -0.10 0.00 0.56 0.00 0.00 36.38 33.50 2uwq s VAL 56 CO 0.20 0.54 0.97 0.00 -0.31 0.00 0.00 175.10 176.51 2uwq s ALA 57 N -0.38 3.00 -0.96 1.32 0.00 -1.26 -1.16 121.76 122.32 2uwq s ALA 57 Ca 0.10 0.43 0.08 0.00 0.00 0.00 0.00 51.96 52.57 2uwq s ALA 57 Cb -0.12 -3.17 0.36 0.00 0.00 0.00 0.00 23.12 20.19 2uwq s ALA 57 CO 0.02 -0.00 1.26 -0.25 0.00 0.00 0.00 175.76 176.79 2uwq n ASP 58 N -0.79 0.04 -1.62 0.00 8.00 -1.26 -1.59 116.55 119.33 2uwq n ASP 58 Ca 0.07 0.51 0.08 0.00 0.71 0.00 0.00 54.79 56.17 2uwq n ASP 58 Cb 0.54 -0.52 0.37 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.55 5.12 -4.57 -2.24 5.15 -1.26 -2.81 115.26 113.11 2uwq n ASN 59 Ca 0.02 -2.78 -0.42 0.00 -0.60 0.00 0.00 54.58 50.79 2uwq n ASN 59 Cb 0.09 -0.62 -0.06 0.00 -0.53 0.00 0.00 39.78 38.65 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 -2.47 3.63 0.39 1.20 0.41 -0.62 -4.87 118.70 116.37 2uwq s GLU 60 Ca 0.51 0.06 -0.27 0.00 -0.41 0.00 0.00 54.97 54.86 2uwq s GLU 60 Cb 0.37 -3.83 -0.10 0.00 -1.78 0.00 0.00 34.13 28.79 2uwq s GLU 60 CO 0.17 -0.83 1.43 1.03 -0.49 0.00 0.00 175.26 176.57 2uwq s ARG 61 N 2.87 4.04 0.00 1.61 3.00 -1.26 -3.41 118.95 125.81 2uwq s ARG 61 Ca 0.26 2.44 0.00 0.00 0.00 0.00 0.00 55.73 58.44 2uwq s ARG 61 Cb -0.14 -2.90 0.00 0.00 0.00 0.00 0.00 34.95 31.92 2uwq s ARG 61 CO 0.16 -0.54 0.30 -0.12 0.00 0.00 0.00 175.30 175.11 2uwq n MET 62 N 0.34 0.00 -0.22 3.54 0.00 -1.26 0.82 117.12 120.34 2uwq n MET 62 Ca 0.02 0.30 0.12 0.00 -0.00 0.00 0.00 57.70 58.13 2uwq n MET 62 Cb 0.41 -0.58 0.41 0.00 0.00 0.00 0.00 33.22 33.45 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 0.70 -1.01 1.12 0.04 -1.91 0.06 116.94 115.95 2uwq h PHE 63 Ca 0.00 0.02 0.17 0.00 2.80 0.00 0.00 57.97 60.96 2uwq h PHE 63 Cb 0.00 -0.22 -0.10 0.00 2.20 0.00 0.00 35.95 37.83 2uwq h PHE 63 CO -0.03 0.29 0.62 0.22 -0.60 0.00 0.00 178.31 178.81 2uwq h ASP 64 N 0.62 0.84 0.98 2.17 -0.00 0.07 0.60 116.42 121.70 2uwq h ASP 64 Ca 0.39 0.08 -0.19 0.00 -0.00 0.00 0.00 57.03 57.31 2uwq h ASP 64 Cb 0.64 -0.08 -0.03 0.00 -0.00 0.00 0.00 39.33 39.87 2uwq h ASP 64 CO -0.15 0.35 -0.93 0.58 -0.00 0.00 0.00 179.24 179.09 2uwq h VAL 65 N 0.84 1.64 0.00 2.25 2.07 0.18 -3.15 116.25 120.08 2uwq h VAL 65 Ca 0.55 -3.20 0.00 0.00 0.82 0.00 0.00 66.70 64.87 2uwq h VAL 65 Cb 0.76 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 2uwq h VAL 65 CO -0.34 0.91 0.00 0.18 0.02 0.00 0.00 177.57 178.33 2uwq n LEU 66 N -3.40 0.00 0.01 2.57 4.32 0.14 -3.03 117.00 117.62 2uwq n LEU 66 Ca -0.00 0.41 0.11 0.00 -0.02 0.00 0.00 56.01 56.51 2uwq n LEU 66 Cb 0.89 -0.41 0.01 0.00 -1.62 0.00 0.00 43.42 42.29 2uwq n LEU 66 CO 0.46 -0.04 0.02 1.67 -1.22 0.00 0.00 177.39 178.28 2uwq n GLN 67 N -1.41 0.19 0.01 3.23 0.00 0.16 -4.20 117.38 115.36 2uwq n GLN 67 Ca 0.09 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.00 57.00 2uwq n GLN 67 Cb 0.27 -1.55 -0.13 0.00 0.00 0.00 0.00 30.24 28.83 2uwq n GLN 67 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 2uwq h ARG 68 N 0.00 0.00 0.77 3.69 0.11 -1.63 -3.38 114.38 113.94 2uwq h ARG 68 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2uwq h ARG 68 Cb 0.65 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.74 2uwq h ARG 68 CO 0.00 0.68 -0.38 0.74 0.10 0.00 0.00 179.97 181.12 2uwq h PHE 69 N 0.00 -0.97 0.00 4.08 -1.00 -1.73 -3.50 116.94 113.82 2uwq h PHE 69 Ca -0.18 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.58 2uwq h PHE 69 Cb 1.92 0.32 0.00 0.00 3.61 0.00 0.00 35.95 41.81 2uwq h PHE 69 CO 0.00 -0.60 0.00 0.41 -1.61 0.00 0.00 178.31 176.51 2uwq n GLY 70 N -1.52 0.07 0.26 -1.45 0.00 -1.26 -4.90 105.19 96.39 2uwq n GLY 70 Ca -0.13 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 0.94 -1.39 1.61 0.87 -1.95 -3.37 113.55 110.27 2uwq h SER 71 Ca 0.00 -0.45 -0.67 0.00 -1.23 0.00 0.00 61.79 59.44 2uwq h SER 71 Cb 0.00 -0.26 -0.12 0.00 -0.44 0.00 0.00 62.40 61.58 2uwq h SER 71 CO 0.00 1.19 1.68 -1.10 -0.53 0.00 0.00 176.83 178.07 2uwq s GLN 72 N -4.47 3.87 0.20 2.24 -0.21 -1.26 -4.75 119.66 115.28 2uwq s GLN 72 Ca -0.11 -1.88 0.11 0.00 0.02 0.00 0.00 55.36 53.49 2uwq s GLN 72 Cb 0.11 -5.32 -0.00 0.00 1.00 0.00 0.00 33.01 28.80 2uwq s GLN 72 CO 0.87 -2.08 1.40 0.07 -2.12 0.00 0.00 175.29 173.42 2uwq h ARG 73 N 8.18 0.00 -1.04 2.91 0.11 -1.84 -3.24 114.38 119.47 2uwq h ARG 73 Ca 0.32 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.82 2uwq h ARG 73 Cb 0.92 0.00 -0.28 0.00 1.11 0.00 0.00 29.97 31.72 2uwq h ARG 73 CO 1.36 0.77 0.75 0.09 0.10 0.00 0.00 179.97 183.04 2uwq n ASN 74 N -3.38 6.05 0.00 0.08 3.02 -1.26 -4.07 115.26 115.70 2uwq n ASN 74 Ca 0.00 -3.63 0.00 0.00 -0.03 0.00 0.00 54.58 50.92 2uwq n ASN 74 Cb 0.81 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.89 -0.70 -2.96 3.52 4.07 -1.22 -5.07 120.64 117.38 2uwq n GLU 75 Ca 0.58 -0.39 -0.22 0.00 -0.06 0.00 0.00 57.16 57.07 2uwq n GLU 75 Cb 1.03 -0.88 0.01 0.00 -0.06 0.00 0.00 31.44 31.55 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 -0.01 3.77 -0.00 6.31 0.11 -1.26 -4.15 120.40 125.17 2uwq s VAL 76 Ca 0.00 -0.57 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 2uwq s VAL 76 Cb 0.00 -3.39 -0.01 0.00 -1.53 0.00 0.00 36.38 31.45 2uwq s VAL 76 CO 0.00 -0.26 -0.15 -0.13 -3.33 0.00 0.00 175.10 171.22 2uwq s ARG 77 N -4.56 1.21 -0.11 1.54 0.52 0.35 -4.85 118.95 113.04 2uwq s ARG 77 Ca 0.50 -0.61 -0.02 0.00 -0.52 0.00 0.00 55.73 55.08 2uwq s ARG 77 Cb -0.10 -1.18 -0.03 0.00 0.52 0.00 0.00 34.95 34.15 2uwq s ARG 77 CO 0.37 0.32 -0.02 -0.06 0.02 0.00 0.00 175.30 175.94 2uwq s PHE 78 N -0.46 3.09 -0.03 -0.53 2.99 -0.20 -1.87 117.98 120.96 2uwq s PHE 78 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 56.93 56.96 2uwq s PHE 78 Cb -0.06 -1.85 0.01 0.00 0.00 0.00 0.00 43.02 41.11 2uwq s PHE 78 CO -0.00 0.27 0.09 -0.06 -0.00 0.00 0.00 175.22 175.52 2uwq s PHE 79 N -0.39 -0.10 -0.21 0.36 0.40 -0.76 0.12 117.98 117.40 2uwq s PHE 79 Ca 0.07 0.24 -0.18 0.00 -0.60 0.00 0.00 56.93 56.46 2uwq s PHE 79 Cb -0.12 0.03 -0.03 0.00 0.51 0.00 0.00 43.02 43.41 2uwq s PHE 79 CO 0.02 -0.05 0.51 -1.17 0.70 0.00 0.00 175.22 175.23 2uwq s LEU 80 N 0.07 4.13 -0.26 -0.37 1.98 -0.82 -0.28 118.68 123.13 2uwq s LEU 80 Ca -0.00 0.63 -0.05 0.00 -2.89 0.00 0.00 54.13 51.82 2uwq s LEU 80 Cb -0.01 -2.68 0.00 0.00 0.66 0.00 0.00 46.19 44.16 2uwq s LEU 80 CO -0.00 -0.19 0.01 -0.13 -1.89 0.00 0.00 176.35 174.15 2uwq s ARG 81 N 1.76 3.17 -0.27 1.98 1.81 -0.81 -4.95 118.95 121.64 2uwq s ARG 81 Ca 0.23 -0.78 0.00 0.00 -1.72 0.00 0.00 55.73 53.46 2uwq s ARG 81 Cb -0.15 -3.18 0.05 0.00 -0.45 0.00 0.00 34.95 31.22 2uwq s ARG 81 CO 0.09 -0.34 -0.06 -1.01 -0.68 0.00 0.00 175.30 173.30 2uwq s HIS 82 N 1.47 3.22 -2.00 -0.53 3.76 -1.26 -3.00 115.29 116.94 2uwq s HIS 82 Ca 0.03 -2.00 0.18 0.00 -0.15 0.00 0.00 55.06 53.13 2uwq s HIS 82 Cb -0.16 -2.02 1.10 0.00 1.11 0.00 0.00 32.58 32.61 2uwq s HIS 82 CO -0.01 -0.82 1.50 0.39 -0.85 0.00 0.00 174.74 174.95