#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 -1.83 3.10 -0.02 0.00 -1.26 -5.03 105.19 100.15 2uwq n GLY -1 Ca 0.00 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 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 0.34 -0.03 1.61 1.04 -1.26 -5.16 113.70 106.24 2uwq s SER 0 Ca 0.00 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 55.62 2uwq s SER 0 Cb 0.00 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.36 2uwq s SER 0 CO 0.00 -0.57 0.06 -0.04 0.98 0.00 0.00 173.24 173.67 2uwq s MET 1 N -3.37 -0.00 -0.32 4.02 1.00 -1.26 -5.12 119.30 114.24 2uwq s MET 1 Ca 0.02 0.22 -0.28 0.00 0.00 0.00 0.00 55.69 55.64 2uwq s MET 1 Cb 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 34.83 34.67 2uwq s MET 1 CO -0.08 -0.15 1.03 0.00 0.00 0.00 0.00 175.02 175.81 2uwq s MET 2 N 1.00 4.05 0.74 2.03 0.00 -1.26 -5.01 119.30 120.85 2uwq s MET 2 Ca -0.08 1.00 -0.16 0.00 0.00 0.00 0.00 55.69 56.45 2uwq s MET 2 Cb -0.11 -3.73 -0.03 0.00 0.00 0.00 0.00 34.83 30.95 2uwq s MET 2 CO -0.03 -0.86 0.55 -2.30 0.00 0.00 0.00 175.02 172.38 2uwq n PRO 3 N 6.75 0.27 -2.06 3.16 -0.02 -1.26 -5.02 135.00 136.81 2uwq n PRO 3 Ca 0.11 0.13 -0.03 0.00 -2.02 0.00 0.00 63.50 61.69 2uwq n PRO 3 Cb 0.47 -1.86 -0.01 0.00 -0.02 0.00 0.00 33.50 32.09 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 -0.90 0.17 -3.69 -0.52 2.81 -1.26 -5.08 117.12 108.66 2uwq n MET 4 Ca 0.10 -0.62 -0.10 0.00 -1.81 0.00 0.00 57.70 55.27 2uwq n MET 4 Cb 0.50 0.62 -0.04 0.00 -0.71 0.00 0.00 33.22 33.59 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 -4.89 -0.16 -0.00 2.03 -0.12 -1.26 -2.18 117.98 111.39 2uwq s PHE 5 Ca 0.06 -0.17 0.06 0.00 -0.05 0.00 0.00 56.93 56.83 2uwq s PHE 5 Cb -0.00 0.35 -0.02 0.00 -0.63 0.00 0.00 43.02 42.72 2uwq s PHE 5 CO 0.04 -0.84 -0.18 -0.48 -0.05 0.00 0.00 175.22 173.72 2uwq s LEU 6 N -2.85 2.06 -0.39 -1.99 0.05 -0.74 -4.94 118.68 109.88 2uwq s LEU 6 Ca 0.07 -0.36 -0.15 0.00 0.05 0.00 0.00 54.13 53.74 2uwq s LEU 6 Cb 0.00 -0.89 0.01 0.00 -2.05 0.00 0.00 46.19 43.26 2uwq s LEU 6 CO -0.06 0.19 0.34 -0.89 -0.55 0.00 0.00 176.35 175.38 2uwq s THR 7 N -0.50 5.20 0.42 5.48 2.01 -1.26 -1.20 115.64 125.79 2uwq s THR 7 Ca 0.06 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 2uwq s THR 7 Cb -0.07 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2uwq s THR 7 CO -0.00 -0.25 0.69 -0.69 -0.69 0.00 0.00 174.62 173.68 2uwq s VAL 8 N 1.88 4.97 -0.14 3.82 1.01 0.10 -1.24 120.40 130.81 2uwq s VAL 8 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2uwq s VAL 8 Cb -0.18 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2uwq s VAL 8 CO 0.11 -0.70 -0.10 -0.31 0.00 0.00 0.00 175.10 174.11 2uwq s TYR 9 N -2.54 2.89 0.04 5.22 4.12 0.36 0.21 117.35 127.65 2uwq s TYR 9 Ca 0.45 -0.53 -0.06 0.00 0.02 0.00 0.00 57.07 56.95 2uwq s TYR 9 Cb -0.10 -1.89 -0.05 0.00 -1.52 0.00 0.00 41.96 38.40 2uwq s TYR 9 CO 0.40 -0.16 0.28 -0.51 0.02 0.00 0.00 175.55 175.58 2uwq s LEU 10 N 0.38 4.35 -0.41 -1.29 1.43 0.70 -2.13 118.68 121.72 2uwq s LEU 10 Ca -0.08 0.53 -0.38 0.00 -1.03 0.00 0.00 54.13 53.17 2uwq s LEU 10 Cb -0.15 -2.81 -0.16 0.00 0.03 0.00 0.00 46.19 43.10 2uwq s LEU 10 CO 0.05 0.21 1.33 -0.24 0.23 0.00 0.00 176.35 177.92 2uwq n SER 11 N 0.86 0.96 0.00 2.29 2.88 -1.26 -4.40 113.62 114.95 2uwq n SER 11 Ca -0.09 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 2uwq n SER 11 Cb 0.52 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 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 3.43 0.00 0.00 -3.46 2.85 -1.26 -4.94 115.26 111.88 2uwq n ASN 12 Ca 0.26 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 2uwq n ASN 12 Cb -0.05 0.00 0.00 0.00 1.24 0.00 0.00 39.78 40.97 2uwq n ASN 12 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2uwq n ASN 13 N 0.00 0.00 -0.81 1.20 4.13 -1.26 -5.00 115.26 113.52 2uwq n ASN 13 Ca 0.00 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.21 2uwq n ASN 13 Cb 0.00 0.01 -0.05 0.00 -1.54 0.00 0.00 39.78 38.21 2uwq n ASN 13 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2uwq n GLU 14 N -0.91 0.00 0.00 3.52 1.02 -1.26 -4.94 120.64 118.07 2uwq n GLU 14 Ca 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 57.16 56.49 2uwq n GLU 14 Cb 0.00 0.36 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 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 0.00 1.27 -3.62 3.49 6.02 -1.26 -5.03 117.38 118.26 2uwq n GLN 15 Ca -0.18 -0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.43 2uwq n GLN 15 Cb 0.60 -0.13 -0.11 0.00 1.02 0.00 0.00 30.24 31.62 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 -0.18 3.23 0.07 1.08 2.46 -1.26 -5.04 115.29 115.65 2uwq s HIS 16 Ca 0.00 0.11 -0.06 0.00 0.47 0.00 0.00 55.06 55.58 2uwq s HIS 16 Cb 0.00 -2.35 -0.02 0.00 -0.13 0.00 0.00 32.58 30.09 2uwq s HIS 16 CO 0.00 -0.12 0.11 -0.59 -2.47 0.00 0.00 174.74 171.66 2uwq s PHE 17 N 1.60 0.28 -0.13 3.88 -0.71 -1.26 -0.22 117.98 121.43 2uwq s PHE 17 Ca 0.07 -0.76 -0.03 0.00 -1.04 0.00 0.00 56.93 55.18 2uwq s PHE 17 Cb -0.15 -0.18 0.05 0.00 -1.21 0.00 0.00 43.02 41.52 2uwq s PHE 17 CO 0.09 -0.48 0.03 -0.08 -1.34 0.00 0.00 175.22 173.44 2uwq s THR 18 N -3.86 0.34 0.22 -4.49 -1.32 0.56 -4.81 115.64 102.28 2uwq s THR 18 Ca 0.05 -0.18 -0.05 0.00 -1.21 0.00 0.00 61.69 60.30 2uwq s THR 18 Cb 0.06 -0.72 -0.06 0.00 -1.51 0.00 0.00 72.50 70.27 2uwq s THR 18 CO -0.11 -0.01 0.48 -1.83 -2.21 0.00 0.00 174.62 170.94 2uwq s GLU 19 N 1.96 3.66 -0.14 7.08 1.03 -1.26 0.03 118.70 131.05 2uwq s GLU 19 Ca 0.02 0.00 -0.09 0.00 0.03 0.00 0.00 54.97 54.93 2uwq s GLU 19 Cb -0.15 -2.73 0.05 0.00 -0.80 0.00 0.00 34.13 30.50 2uwq s GLU 19 CO -0.07 0.33 0.35 0.14 -1.33 0.00 0.00 175.26 174.69 2uwq s VAL 20 N -1.87 -0.02 0.08 1.83 -7.23 -0.34 -4.93 120.40 107.91 2uwq s VAL 20 Ca 0.43 0.07 -0.21 0.00 -1.81 0.00 0.00 61.98 60.47 2uwq s VAL 20 Cb -0.11 -0.52 -0.07 0.00 0.56 0.00 0.00 36.38 36.24 2uwq s VAL 20 CO 0.26 0.03 0.61 -2.16 -0.31 0.00 0.00 175.10 173.53 2uwq s PRO 21 N 0.94 4.29 0.18 4.82 0.04 -1.26 -1.80 135.00 142.21 2uwq s PRO 21 Ca -0.06 0.81 -0.16 0.00 0.04 0.00 0.00 61.00 61.63 2uwq s PRO 21 Cb -0.07 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.23 2uwq s PRO 21 CO -0.07 0.58 0.47 0.14 0.04 0.00 0.00 177.00 178.16 2uwq s VAL 22 N -0.95 0.04 0.31 -0.36 -7.23 -0.93 -4.99 120.40 106.28 2uwq s VAL 22 Ca 0.31 -0.85 0.08 0.00 -1.81 0.00 0.00 61.98 59.70 2uwq s VAL 22 Cb -0.20 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 2uwq s VAL 22 CO 0.20 -0.17 0.21 0.42 -0.31 0.00 0.00 175.10 175.44 2uwq s THR 23 N -3.88 3.67 -0.68 5.32 -4.23 -1.26 -4.02 115.64 110.56 2uwq s THR 23 Ca 0.10 -1.50 -0.10 0.00 -1.18 0.00 0.00 61.69 59.01 2uwq s THR 23 Cb 0.00 -3.17 -0.08 0.00 1.34 0.00 0.00 72.50 70.59 2uwq s THR 23 CO -0.04 -0.24 1.85 -0.81 -0.54 0.00 0.00 174.62 174.84 2uwq n PRO 24 N -1.23 1.49 0.00 3.99 -0.04 -1.26 -2.85 135.00 135.10 2uwq n PRO 24 Ca -0.04 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 2uwq n PRO 24 Cb 0.59 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 5.15 0.00 -3.08 0.54 2.13 -1.26 -5.06 120.64 119.06 2uwq n GLU 25 Ca 0.38 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.84 2uwq n GLU 25 Cb 0.18 -0.08 -0.06 0.00 0.27 0.00 0.00 31.44 31.76 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 -1.84 4.56 -0.03 6.31 -4.23 -1.13 -5.00 115.64 114.28 2uwq s THR 26 Ca 0.00 1.27 -0.00 0.00 -1.18 0.00 0.00 61.69 61.78 2uwq s THR 26 Cb 0.00 -3.83 0.03 0.00 1.34 0.00 0.00 72.50 70.04 2uwq s THR 26 CO 0.00 0.15 0.02 0.27 -0.54 0.00 0.00 174.62 174.52 2uwq s ILE 27 N -1.60 0.03 0.00 2.99 -0.00 -1.26 -3.70 121.20 117.66 2uwq s ILE 27 Ca 0.45 0.20 0.00 0.00 -0.00 0.00 0.00 60.65 61.30 2uwq s ILE 27 Cb -0.16 -0.17 0.00 0.00 -0.00 0.00 0.00 42.46 42.13 2uwq s ILE 27 CO 0.21 0.13 0.00 0.00 -0.00 0.00 0.00 174.94 175.27 2uwq h ARG 29 N 0.00 0.15 -0.02 0.00 9.65 -1.90 -2.22 114.38 120.05 2uwq h ARG 29 Ca 0.00 -0.26 -0.14 0.00 -1.10 0.00 0.00 59.98 58.48 2uwq h ARG 29 Cb 0.28 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 2uwq h ARG 29 CO 0.00 1.12 -0.65 -0.44 2.80 0.00 0.00 179.97 182.80 2uwq h ASP 30 N -0.58 0.09 0.23 -3.80 5.19 -1.96 0.23 116.42 115.82 2uwq h ASP 30 Ca -0.26 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 2uwq h ASP 30 Cb 1.53 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 41.02 2uwq h ASP 30 CO -0.01 0.72 -0.11 0.58 -3.12 0.00 0.00 179.24 177.30 2uwq h VAL 31 N 0.05 0.84 -0.00 -1.35 2.07 -1.91 -1.69 116.25 114.25 2uwq h VAL 31 Ca -0.01 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2uwq h VAL 31 Cb 1.16 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2uwq h VAL 31 CO 0.09 0.10 -0.02 0.58 0.02 0.00 0.00 177.57 178.35 2uwq h VAL 32 N -0.55 1.53 -0.69 2.57 2.07 -1.40 -1.25 116.25 118.54 2uwq h VAL 32 Ca -0.03 -1.60 0.15 0.00 0.82 0.00 0.00 66.70 66.04 2uwq h VAL 32 Cb 0.40 2.61 -0.11 0.00 -1.52 0.00 0.00 31.29 32.67 2uwq h VAL 32 CO 0.05 0.42 0.08 0.44 0.02 0.00 0.00 177.57 178.58 2uwq h ASP 33 N -0.65 -0.16 0.50 0.57 3.32 -0.62 0.19 116.42 119.57 2uwq h ASP 33 Ca -0.00 0.15 -0.22 0.00 0.02 0.00 0.00 57.03 56.98 2uwq h ASP 33 Cb 0.69 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 2uwq h ASP 33 CO 0.00 -0.09 -0.96 -0.07 -1.72 0.00 0.00 179.24 176.41 2uwq h LEU 34 N 0.18 0.39 -3.41 1.55 4.07 -1.38 -3.21 115.31 113.49 2uwq h LEU 34 Ca 0.37 -0.33 -0.36 0.00 0.08 0.00 0.00 57.88 57.65 2uwq h LEU 34 Cb 0.63 -0.12 -0.21 0.00 1.08 0.00 0.00 40.66 42.04 2uwq h LEU 34 CO -0.54 1.14 0.45 0.00 -1.08 0.00 0.00 178.44 178.42 2uwq s LYS 36 N -2.38 1.09 0.01 0.00 -0.14 0.53 -4.87 119.74 113.97 2uwq s LYS 36 Ca 0.41 -1.20 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 2uwq s LYS 36 Cb 0.34 -1.19 0.00 0.00 -1.68 0.00 0.00 37.83 35.31 2uwq s LYS 36 CO 0.08 0.26 0.00 0.39 -0.76 0.00 0.00 175.35 175.32 2uwq n GLU 37 N 0.84 0.00 0.01 1.68 1.02 -1.26 -4.96 120.64 117.96 2uwq n GLU 37 Ca -0.18 0.00 0.22 0.00 -0.02 0.00 0.00 57.16 57.19 2uwq n GLU 37 Cb 0.55 0.00 0.72 0.00 -0.02 0.00 0.00 31.44 32.70 2uwq n GLU 37 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2uwq h PRO 38 N 0.00 0.00 -1.25 3.49 0.11 -2.02 -3.45 132.00 128.87 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 -1.56 0.71 3.87 -0.55 0.00 -1.26 -5.11 105.19 101.30 2uwq n GLY 39 Ca 0.11 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.42 3.22 -0.01 1.61 2.56 -1.26 -5.12 118.70 117.29 2uwq s GLU 40 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 54.97 54.38 2uwq s GLU 40 Cb 0.00 -2.87 -0.03 0.00 2.00 0.00 0.00 34.13 33.23 2uwq s GLU 40 CO 0.00 0.54 -0.11 -1.12 -0.56 0.00 0.00 175.26 174.02 2uwq s SER 41 N -2.86 4.31 -0.34 -1.70 0.01 -1.26 -4.85 113.70 107.01 2uwq s SER 41 Ca 0.33 -0.21 -0.04 0.00 1.31 0.00 0.00 55.95 57.34 2uwq s SER 41 Cb -0.12 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.19 2uwq s SER 41 CO 0.26 0.30 0.16 0.47 0.41 0.00 0.00 173.24 174.84 2uwq n ASP 42 N 1.78 -8.04 -4.20 2.44 8.00 -1.26 -4.65 116.55 110.62 2uwq n ASP 42 Ca -0.16 1.21 -0.12 0.00 0.71 0.00 0.00 54.79 56.43 2uwq n ASP 42 Cb 0.52 -5.37 -0.10 0.00 -0.02 0.00 0.00 41.12 36.15 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 -3.53 0.73 0.06 0.00 -3.43 -1.20 -4.73 115.29 103.19 2uwq s HIS 44 Ca 0.13 -0.90 -0.03 0.00 -0.80 0.00 0.00 55.06 53.47 2uwq s HIS 44 Cb 0.04 -0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 30.70 2uwq s HIS 44 CO -0.03 -0.21 0.25 -1.17 -2.00 0.00 0.00 174.74 171.58 2uwq s LEU 45 N -2.77 4.34 0.17 5.38 2.96 -0.31 -1.91 118.68 126.54 2uwq s LEU 45 Ca 0.07 0.41 0.09 0.00 -0.22 0.00 0.00 54.13 54.47 2uwq s LEU 45 Cb 0.04 -2.94 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 2uwq s LEU 45 CO -0.06 0.17 -0.11 0.00 -1.32 0.00 0.00 176.35 175.04 2uwq s ALA 46 N -1.48 2.90 -0.21 5.97 0.00 0.15 0.69 121.76 129.78 2uwq s ALA 46 Ca 0.34 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2uwq s ALA 46 Cb -0.13 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.32 2uwq s ALA 46 CO 0.24 0.50 -0.05 -1.83 0.00 0.00 0.00 175.76 174.62 2uwq s GLU 47 N -2.68 1.52 -0.10 0.00 -1.05 0.46 -1.78 118.70 115.07 2uwq s GLU 47 Ca 0.24 -0.81 0.03 0.00 -0.15 0.00 0.00 54.97 54.27 2uwq s GLU 47 Cb -0.09 -2.40 0.01 0.00 -0.44 0.00 0.00 34.13 31.21 2uwq s GLU 47 CO 0.14 -0.55 -0.18 0.08 0.95 0.00 0.00 175.26 175.71 2uwq s VAL 48 N 1.50 1.63 -0.12 1.83 1.01 -0.83 0.42 120.40 125.83 2uwq s VAL 48 Ca -0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 2uwq s VAL 48 Cb -0.18 -1.45 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 0.70 -0.35 -1.65 5.22 -2.14 0.17 -0.57 118.94 120.32 2uwq s TRP 49 Ca -0.12 0.83 -0.11 0.00 2.66 0.00 0.00 56.10 59.35 2uwq s TRP 49 Cb -0.16 -0.12 0.10 0.00 -3.10 0.00 0.00 33.47 30.19 2uwq s TRP 49 CO 0.03 -0.35 0.43 0.00 -2.66 0.00 0.00 176.95 174.40 2uwq n GLY 51 N -1.77 1.35 3.43 0.00 0.00 -1.26 -5.01 105.19 101.93 2uwq n GLY 51 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.28 6.37 -0.13 1.61 0.01 0.30 -5.01 113.70 114.58 2uwq s SER 52 Ca 0.00 -1.55 -0.03 0.00 1.31 0.00 0.00 55.95 55.69 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 -1.21 -0.03 -1.83 0.41 0.00 0.00 173.24 170.59 2uwq s GLU 53 N 3.15 3.41 0.03 12.44 -1.05 -1.26 0.45 118.70 135.87 2uwq s GLU 53 Ca 0.24 -0.49 -0.10 0.00 -0.15 0.00 0.00 54.97 54.47 2uwq s GLU 53 Cb -0.13 -2.86 0.01 0.00 -0.44 0.00 0.00 34.13 30.71 2uwq s GLU 53 CO 0.01 0.41 0.21 1.03 0.95 0.00 0.00 175.26 177.87 2uwq s ARG 54 N -0.08 0.67 -0.37 -4.83 3.00 0.17 -4.97 118.95 112.54 2uwq s ARG 54 Ca 0.02 -0.52 -0.25 0.00 0.00 0.00 0.00 55.73 54.98 2uwq s ARG 54 Cb -0.13 0.28 0.01 0.00 0.00 0.00 0.00 34.95 35.12 2uwq s ARG 54 CO 0.02 -0.19 0.89 -1.25 0.00 0.00 0.00 175.30 174.78 2uwq s PRO 55 N -2.21 3.80 -0.16 3.54 0.04 -1.26 -0.40 135.00 138.35 2uwq s PRO 55 Ca -0.08 0.49 -0.14 0.00 0.04 0.00 0.00 61.00 61.31 2uwq s PRO 55 Cb -0.03 -3.81 -0.05 0.00 0.04 0.00 0.00 34.50 30.65 2uwq s PRO 55 CO -0.02 -0.95 0.32 0.54 0.04 0.00 0.00 177.00 176.93 2uwq s VAL 56 N 3.41 5.29 0.38 -0.36 0.11 0.22 -4.93 120.40 124.52 2uwq s VAL 56 Ca 0.36 0.60 -0.24 0.00 -2.93 0.00 0.00 61.98 59.77 2uwq s VAL 56 Cb -0.12 -3.66 -0.10 0.00 -1.53 0.00 0.00 36.38 30.97 2uwq s VAL 56 CO 0.19 0.37 0.98 0.00 -3.33 0.00 0.00 175.10 173.31 2uwq s ALA 57 N 0.54 3.12 -0.56 1.54 0.00 -1.26 -1.16 121.76 123.98 2uwq s ALA 57 Ca 0.17 0.53 0.14 0.00 0.00 0.00 0.00 51.96 52.80 2uwq s ALA 57 Cb -0.13 -3.20 0.70 0.00 0.00 0.00 0.00 23.12 20.49 2uwq s ALA 57 CO 0.05 0.05 1.42 -0.25 0.00 0.00 0.00 175.76 177.02 2uwq n ASP 58 N -0.01 0.33 -1.89 0.00 9.92 -1.26 -1.40 116.55 122.24 2uwq n ASP 58 Ca 0.04 0.64 0.07 0.00 -0.53 0.00 0.00 54.79 55.02 2uwq n ASP 58 Cb 0.51 -0.69 0.41 0.00 -0.64 0.00 0.00 41.12 40.71 2uwq n ASP 58 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2uwq n ASN 59 N -1.94 5.74 -4.68 -2.24 4.13 -1.26 -3.16 115.26 111.85 2uwq n ASN 59 Ca -0.00 -2.92 -0.38 0.00 1.68 0.00 0.00 54.58 52.95 2uwq n ASN 59 Cb 0.05 -0.69 -0.07 0.00 -1.54 0.00 0.00 39.78 37.53 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 -2.75 4.19 0.27 3.52 0.41 -0.50 -4.91 118.70 118.94 2uwq s GLU 60 Ca 0.55 0.22 -0.30 0.00 -0.41 0.00 0.00 54.97 55.03 2uwq s GLU 60 Cb 0.42 -3.52 -0.10 0.00 -1.78 0.00 0.00 34.13 29.14 2uwq s GLU 60 CO 0.16 -0.01 1.39 1.03 -0.49 0.00 0.00 175.26 177.34 2uwq s ARG 61 N 1.21 4.30 0.00 1.61 3.00 -1.26 -3.30 118.95 124.51 2uwq s ARG 61 Ca 0.20 2.26 0.00 0.00 0.00 0.00 0.00 55.73 58.18 2uwq s ARG 61 Cb -0.15 -3.11 0.00 0.00 0.00 0.00 0.00 34.95 31.70 2uwq s ARG 61 CO 0.08 -0.34 0.19 -0.12 0.00 0.00 0.00 175.30 175.11 2uwq n MET 62 N 1.91 0.00 -0.33 3.54 0.00 -1.24 0.63 117.12 121.63 2uwq n MET 62 Ca 0.05 0.19 0.27 0.00 -0.00 0.00 0.00 57.70 58.21 2uwq n MET 62 Cb 0.41 -0.54 0.58 0.00 0.00 0.00 0.00 33.22 33.66 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 0.49 -0.52 1.12 -1.00 -1.91 0.18 116.94 115.30 2uwq h PHE 63 Ca 0.00 0.02 0.09 0.00 2.81 0.00 0.00 57.97 60.89 2uwq h PHE 63 Cb 0.00 -0.14 -0.07 0.00 3.61 0.00 0.00 35.95 39.35 2uwq h PHE 63 CO 0.00 0.02 0.11 0.22 -1.61 0.00 0.00 178.31 177.06 2uwq h ASP 64 N 0.28 0.02 0.63 2.17 1.82 -0.16 0.52 116.42 121.69 2uwq h ASP 64 Ca 0.60 0.09 -0.09 0.00 -0.39 0.00 0.00 57.03 57.25 2uwq h ASP 64 Cb 1.76 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.88 2uwq h ASP 64 CO -0.24 0.03 -0.42 0.58 -1.61 0.00 0.00 179.24 177.58 2uwq h VAL 65 N 0.25 1.11 0.00 2.25 2.07 0.28 -2.53 116.25 119.68 2uwq h VAL 65 Ca 0.26 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2uwq h VAL 65 Cb 0.36 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2uwq h VAL 65 CO -0.34 0.41 0.00 0.18 0.02 0.00 0.00 177.57 177.85 2uwq n LEU 66 N -3.75 0.78 0.10 2.57 4.32 0.12 -2.94 117.00 118.19 2uwq n LEU 66 Ca -0.01 0.61 0.12 0.00 -0.02 0.00 0.00 56.01 56.72 2uwq n LEU 66 Cb 0.49 -0.42 0.22 0.00 -1.62 0.00 0.00 43.42 42.09 2uwq n LEU 66 CO 0.38 -0.33 0.52 -0.61 -1.22 0.00 0.00 177.39 176.13 2uwq h GLN 67 N 0.00 0.00 0.00 3.23 4.15 0.26 -3.32 115.11 119.43 2uwq h GLN 67 Ca 0.00 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.17 2uwq h GLN 67 Cb 0.60 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.25 2uwq h GLN 67 CO 0.00 0.00 -1.31 0.07 -1.93 0.00 0.00 178.83 175.66 2uwq h ARG 68 N 0.00 0.00 -0.35 1.69 0.11 -1.60 -3.34 114.38 110.89 2uwq h ARG 68 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2uwq h ARG 68 Cb 0.81 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.87 2uwq h ARG 68 CO 0.00 0.77 0.19 0.74 0.10 0.00 0.00 179.97 181.77 2uwq h PHE 69 N 0.00 0.48 0.00 4.08 0.04 -1.66 -3.49 116.94 116.38 2uwq h PHE 69 Ca -0.13 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.63 2uwq h PHE 69 Cb 1.88 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.87 2uwq h PHE 69 CO 0.00 0.38 0.00 0.41 -0.60 0.00 0.00 178.31 178.50 2uwq n GLY 70 N -0.97 0.30 2.11 -1.45 0.00 -1.26 -4.74 105.19 99.18 2uwq n GLY 70 Ca -0.01 -1.36 -0.20 0.00 0.00 0.00 0.00 46.02 44.46 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 3.85 -3.38 1.61 7.64 -1.26 -4.66 113.62 117.43 2uwq n SER 71 Ca 0.00 -3.44 -0.26 0.00 1.01 0.00 0.00 58.87 56.19 2uwq n SER 71 Cb 0.00 -0.80 -0.10 0.00 -1.01 0.00 0.00 64.21 62.30 2uwq n SER 71 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2uwq s GLN 72 N -3.02 0.78 0.27 1.43 -0.21 -1.26 -4.95 119.66 112.68 2uwq s GLN 72 Ca 0.53 -1.70 0.21 0.00 0.02 0.00 0.00 55.36 54.41 2uwq s GLN 72 Cb 0.44 -1.24 0.10 0.00 1.00 0.00 0.00 33.01 33.30 2uwq s GLN 72 CO 0.11 -1.31 1.24 0.07 -2.12 0.00 0.00 175.29 173.27 2uwq h ARG 73 N 6.15 0.00 -0.73 2.91 0.11 -1.87 -3.28 114.38 117.67 2uwq h ARG 73 Ca 0.17 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.24 2uwq h ARG 73 Cb 0.95 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 2uwq h ARG 73 CO 0.30 0.10 0.02 0.27 0.10 0.00 0.00 179.97 180.76 2uwq n ASN 74 N -2.91 4.16 -0.00 0.08 6.94 -1.26 -3.78 115.26 118.49 2uwq n ASN 74 Ca 0.00 -2.65 0.00 0.00 -0.02 0.00 0.00 54.58 51.92 2uwq n ASN 74 Cb 0.61 -0.63 -0.00 0.00 -2.36 0.00 0.00 39.78 37.39 2uwq n ASN 74 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2uwq n GLU 75 N 0.37 6.42 -3.16 -3.83 4.07 -1.24 -5.06 120.64 118.21 2uwq n GLU 75 Ca 0.20 -0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 57.06 2uwq n GLU 75 Cb 0.91 -0.55 0.00 0.00 -0.06 0.00 0.00 31.44 31.74 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 4.51 0.02 6.31 0.11 -1.25 -3.90 120.40 125.10 2uwq s VAL 76 Ca 0.00 -0.48 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 2uwq s VAL 76 Cb 0.00 -3.66 -0.01 0.00 -1.53 0.00 0.00 36.38 31.18 2uwq s VAL 76 CO 0.02 -0.44 -0.09 -0.13 -3.33 0.00 0.00 175.10 171.12 2uwq s ARG 77 N -4.44 0.67 -0.13 1.54 3.00 0.26 -4.93 118.95 114.92 2uwq s ARG 77 Ca 0.45 -0.51 -0.04 0.00 0.00 0.00 0.00 55.73 55.63 2uwq s ARG 77 Cb -0.10 -0.60 -0.03 0.00 0.00 0.00 0.00 34.95 34.22 2uwq s ARG 77 CO 0.37 0.15 0.00 -0.06 0.00 0.00 0.00 175.30 175.76 2uwq s PHE 78 N -0.64 3.13 -0.04 -0.53 2.99 -0.37 -1.97 117.98 120.56 2uwq s PHE 78 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 56.93 56.91 2uwq s PHE 78 Cb -0.06 -1.90 0.02 0.00 0.00 0.00 0.00 43.02 41.08 2uwq s PHE 78 CO 0.00 0.24 0.10 -0.06 -0.00 0.00 0.00 175.22 175.50 2uwq s PHE 79 N -0.23 -0.10 -0.22 0.36 0.08 -0.73 0.14 117.98 117.28 2uwq s PHE 79 Ca 0.05 0.28 -0.17 0.00 0.12 0.00 0.00 56.93 57.21 2uwq s PHE 79 Cb -0.12 -0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.28 2uwq s PHE 79 CO 0.02 -0.07 0.47 -1.17 -0.10 0.00 0.00 175.22 174.37 2uwq s LEU 80 N 0.32 4.12 -0.19 -0.37 2.96 -0.90 0.32 118.68 124.94 2uwq s LEU 80 Ca -0.02 0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 54.41 2uwq s LEU 80 Cb -0.03 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 2uwq s LEU 80 CO -0.01 -0.17 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.71 2uwq s ARG 81 N 1.70 3.62 -0.33 1.98 1.81 -0.80 -4.79 118.95 122.13 2uwq s ARG 81 Ca 0.21 -0.53 -0.21 0.00 -1.72 0.00 0.00 55.73 53.48 2uwq s ARG 81 Cb -0.15 -3.03 -0.00 0.00 -0.45 0.00 0.00 34.95 31.32 2uwq s ARG 81 CO 0.09 0.07 0.69 -1.01 -0.68 0.00 0.00 175.30 174.45 2uwq s HIS 82 N 0.84 3.18 0.00 -0.53 3.76 -1.26 -3.25 115.29 118.03 2uwq s HIS 82 Ca 0.00 0.56 0.00 0.00 -0.15 0.00 0.00 55.06 55.47 2uwq s HIS 82 Cb -0.14 -3.14 0.00 0.00 1.11 0.00 0.00 32.58 30.41 2uwq s HIS 82 CO 0.02 -0.57 0.43 -1.91 -0.85 0.00 0.00 174.74 171.85