#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 2.92 2.20 -0.02 0.00 -1.26 -5.06 105.19 103.97 2uwq n GLY -1 Ca 0.00 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 4.32 -4.28 1.61 3.41 -1.26 -4.95 113.62 112.47 2uwq n SER 0 Ca 0.00 -3.45 -0.43 0.00 -0.26 0.00 0.00 58.87 54.72 2uwq n SER 0 Cb 0.00 -0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 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 -3.62 3.78 -0.14 4.33 -2.45 -1.26 -5.01 119.30 114.92 2uwq s MET 1 Ca 0.47 -2.98 0.02 0.00 -1.25 0.00 0.00 55.69 51.94 2uwq s MET 1 Cb 0.40 -4.37 0.02 0.00 1.25 0.00 0.00 34.83 32.13 2uwq s MET 1 CO 0.01 -1.25 -0.18 0.00 1.05 0.00 0.00 175.02 174.64 2uwq s MET 2 N -0.82 2.67 0.95 4.11 0.00 -1.26 -5.13 119.30 119.81 2uwq s MET 2 Ca 0.26 -0.72 -0.13 0.00 0.00 0.00 0.00 55.69 55.10 2uwq s MET 2 Cb -0.10 -2.27 0.16 0.00 0.00 0.00 0.00 34.83 32.62 2uwq s MET 2 CO -0.09 -0.12 1.14 -1.25 0.00 0.00 0.00 175.02 174.71 2uwq s PRO 3 N 1.11 0.83 0.00 3.16 0.04 -1.26 -5.09 135.00 133.78 2uwq s PRO 3 Ca -0.02 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.25 2uwq s PRO 3 Cb -0.14 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2uwq s PRO 3 CO -0.06 -2.40 0.00 -1.33 0.04 0.00 0.00 177.00 173.25 2uwq n MET 4 N -3.89 0.00 -3.73 4.56 2.81 -1.26 -5.07 117.12 110.54 2uwq n MET 4 Ca 0.08 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.87 2uwq n MET 4 Cb 0.59 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.05 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 -3.23 -0.07 -0.00 2.03 -0.71 -1.26 -2.08 117.98 112.66 2uwq s PHE 5 Ca 0.00 -0.27 0.05 0.00 -1.04 0.00 0.00 56.93 55.68 2uwq s PHE 5 Cb 0.00 0.26 -0.01 0.00 -1.21 0.00 0.00 43.02 42.06 2uwq s PHE 5 CO 0.00 -0.79 -0.17 -0.48 -1.34 0.00 0.00 175.22 172.44 2uwq s LEU 6 N -2.86 2.06 -0.39 -1.99 0.05 -0.68 -4.93 118.68 109.94 2uwq s LEU 6 Ca 0.08 -0.34 -0.14 0.00 0.05 0.00 0.00 54.13 53.78 2uwq s LEU 6 Cb 0.01 -0.84 0.02 0.00 -2.05 0.00 0.00 46.19 43.33 2uwq s LEU 6 CO -0.06 0.18 0.27 -0.89 -0.55 0.00 0.00 176.35 175.30 2uwq s THR 7 N -0.47 5.04 0.42 5.48 2.01 -1.26 -1.25 115.64 125.60 2uwq s THR 7 Ca 0.06 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 2uwq s THR 7 Cb -0.07 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2uwq s THR 7 CO -0.00 -0.27 0.65 -0.69 -0.69 0.00 0.00 174.62 173.62 2uwq s VAL 8 N 1.64 4.67 -0.12 3.82 1.01 0.50 -1.26 120.40 130.66 2uwq s VAL 8 Ca 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2uwq s VAL 8 Cb -0.19 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 2uwq s VAL 8 CO 0.09 -0.55 -0.10 -0.31 0.00 0.00 0.00 175.10 174.23 2uwq s TYR 9 N -2.51 2.88 -0.10 5.22 4.12 0.30 0.19 117.35 127.45 2uwq s TYR 9 Ca 0.45 -0.40 -0.14 0.00 0.02 0.00 0.00 57.07 57.00 2uwq s TYR 9 Cb -0.10 -1.83 -0.05 0.00 -1.52 0.00 0.00 41.96 38.46 2uwq s TYR 9 CO 0.39 -0.04 0.33 -0.51 0.02 0.00 0.00 175.55 175.74 2uwq s LEU 10 N 0.08 4.34 0.00 -1.29 1.02 -0.41 -1.94 118.68 120.48 2uwq s LEU 10 Ca -0.04 0.68 0.00 0.00 0.02 0.00 0.00 54.13 54.80 2uwq s LEU 10 Cb -0.14 -2.44 0.00 0.00 0.02 0.00 0.00 46.19 43.63 2uwq s LEU 10 CO 0.04 0.20 0.00 -0.24 0.02 0.00 0.00 176.35 176.37 2uwq n SER 11 N 2.82 -6.93 -3.60 2.29 2.88 -1.26 -4.01 113.62 105.80 2uwq n SER 11 Ca -0.13 1.02 -0.41 0.00 -1.33 0.00 0.00 58.87 58.02 2uwq n SER 11 Cb 0.52 -2.86 -0.01 0.00 -0.75 0.00 0.00 64.21 61.12 2uwq n SER 11 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2uwq n ASN 12 N -3.49 6.81 -4.19 -3.46 6.94 -1.26 -4.85 115.26 111.76 2uwq n ASN 12 Ca 0.01 -3.00 -0.23 0.00 -0.02 0.00 0.00 54.58 51.34 2uwq n ASN 12 Cb 0.43 -1.46 -0.09 0.00 -2.36 0.00 0.00 39.78 36.30 2uwq n ASN 12 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2uwq s ASN 13 N 1.13 2.35 -0.01 0.53 3.84 -1.26 -5.06 114.94 116.46 2uwq s ASN 13 Ca 0.52 -1.56 0.02 0.00 0.21 0.00 0.00 52.86 52.04 2uwq s ASN 13 Cb 0.15 0.32 0.03 0.00 -0.55 0.00 0.00 41.25 41.20 2uwq s ASN 13 CO -0.06 -0.83 0.96 -0.62 -2.79 0.00 0.00 177.10 173.76 2uwq n GLU 14 N -0.77 2.43 0.00 0.43 1.02 -1.26 -4.69 120.64 117.80 2uwq n GLU 14 Ca -0.03 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.61 2uwq n GLU 14 Cb 0.65 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 2uwq n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2uwq n GLN 15 N -0.54 3.05 -3.62 3.49 10.64 -1.26 -5.01 117.38 124.12 2uwq n GLN 15 Ca 0.02 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.81 2uwq n GLN 15 Cb 0.33 -0.28 -0.11 0.00 -0.86 0.00 0.00 30.24 29.33 2uwq n GLN 15 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2uwq s HIS 16 N -0.48 3.23 0.07 2.61 2.46 -1.26 -5.05 115.29 116.87 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 -2.34 -0.02 0.00 -0.13 0.00 0.00 32.58 30.09 2uwq s HIS 16 CO 0.00 -0.12 0.10 -0.59 -2.47 0.00 0.00 174.74 171.66 2uwq s PHE 17 N 1.57 0.29 -0.14 3.88 -0.12 -1.26 -1.29 117.98 120.91 2uwq s PHE 17 Ca 0.07 -0.76 -0.02 0.00 -0.05 0.00 0.00 56.93 56.17 2uwq s PHE 17 Cb -0.15 -0.19 0.04 0.00 -0.63 0.00 0.00 43.02 42.09 2uwq s PHE 17 CO 0.09 -0.47 -0.00 -0.08 -0.05 0.00 0.00 175.22 174.70 2uwq s THR 18 N -3.82 0.65 0.23 -4.49 -1.32 0.51 -4.85 115.64 102.54 2uwq s THR 18 Ca 0.05 -0.34 -0.05 0.00 -1.21 0.00 0.00 61.69 60.14 2uwq s THR 18 Cb 0.06 -0.93 -0.05 0.00 -1.51 0.00 0.00 72.50 70.06 2uwq s THR 18 CO -0.10 0.06 0.49 -1.83 -2.21 0.00 0.00 174.62 171.02 2uwq s GLU 19 N 1.83 3.64 -0.20 7.08 -1.05 -1.26 -0.37 118.70 128.37 2uwq s GLU 19 Ca 0.02 -0.03 -0.14 0.00 -0.15 0.00 0.00 54.97 54.67 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 0.32 0.51 0.14 0.95 0.00 0.00 175.26 177.11 2uwq s VAL 20 N -1.90 -0.01 -0.05 1.83 -7.23 -0.38 -4.95 120.40 107.71 2uwq s VAL 20 Ca 0.43 0.04 -0.22 0.00 -1.81 0.00 0.00 61.98 60.42 2uwq s VAL 20 Cb -0.11 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 2uwq s VAL 20 CO 0.27 0.02 0.66 -2.16 -0.31 0.00 0.00 175.10 173.57 2uwq s PRO 21 N 1.03 4.40 -0.02 4.82 0.04 -1.26 -1.69 135.00 142.32 2uwq s PRO 21 Ca -0.06 0.81 -0.07 0.00 0.04 0.00 0.00 61.00 61.72 2uwq s PRO 21 Cb -0.06 -3.41 0.01 0.00 0.04 0.00 0.00 34.50 31.08 2uwq s PRO 21 CO -0.09 0.17 0.16 0.54 0.04 0.00 0.00 177.00 177.82 2uwq s VAL 22 N 0.47 0.05 0.48 -0.36 0.11 -0.88 -4.98 120.40 115.28 2uwq s VAL 22 Ca 0.35 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 59.00 2uwq s VAL 22 Cb -0.18 -0.38 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 2uwq s VAL 22 CO 0.17 -0.24 0.67 0.42 -3.33 0.00 0.00 175.10 172.80 2uwq s THR 23 N -0.85 3.02 -0.91 5.04 -4.23 -1.26 -4.18 115.64 112.27 2uwq s THR 23 Ca -0.09 -0.79 -0.08 0.00 -1.18 0.00 0.00 61.69 59.54 2uwq s THR 23 Cb -0.05 -3.08 -0.06 0.00 1.34 0.00 0.00 72.50 70.65 2uwq s THR 23 CO 0.01 -0.04 2.09 -0.81 -0.54 0.00 0.00 174.62 175.33 2uwq n PRO 24 N -2.09 2.02 0.08 3.99 -0.04 -1.26 -3.32 135.00 134.38 2uwq n PRO 24 Ca 0.07 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 2uwq n PRO 24 Cb 0.59 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 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 4.60 0.00 -3.11 0.54 4.71 -1.26 -5.08 120.64 121.04 2uwq n GLU 25 Ca 0.45 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 57.28 2uwq n GLU 25 Cb 0.17 -0.03 -0.06 0.00 -1.01 0.00 0.00 31.44 30.51 2uwq n GLU 25 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2uwq s THR 26 N -2.00 4.68 -0.03 2.62 -4.23 -1.21 -5.01 115.64 110.46 2uwq s THR 26 Ca 0.00 0.93 -0.00 0.00 -1.18 0.00 0.00 61.69 61.44 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 -0.22 0.02 0.27 -0.54 0.00 0.00 174.62 174.15 2uwq s ILE 27 N -2.02 0.07 0.00 2.99 -0.00 -1.26 -4.02 121.20 116.96 2uwq s ILE 27 Ca 0.54 0.18 0.00 0.00 -0.00 0.00 0.00 60.65 61.37 2uwq s ILE 27 Cb -0.10 -0.21 0.00 0.00 -0.00 0.00 0.00 42.46 42.15 2uwq s ILE 27 CO 0.18 0.14 0.00 0.00 -0.00 0.00 0.00 174.94 175.26 2uwq h ARG 29 N 0.00 0.27 -0.10 0.00 2.43 -1.90 -2.25 114.38 112.84 2uwq h ARG 29 Ca 0.00 -0.47 -0.15 0.00 -0.81 0.00 0.00 59.98 58.56 2uwq h ARG 29 Cb 0.28 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2uwq h ARG 29 CO 0.00 1.22 -0.58 -0.44 -1.51 0.00 0.00 179.97 178.66 2uwq h ASP 30 N -0.33 0.35 0.22 -3.80 3.45 -1.97 0.24 116.42 114.58 2uwq h ASP 30 Ca -0.24 -0.19 -0.01 0.00 0.43 0.00 0.00 57.03 57.02 2uwq h ASP 30 Cb 1.72 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 40.39 2uwq h ASP 30 CO 0.10 0.85 -0.10 0.58 -1.57 0.00 0.00 179.24 179.09 2uwq h VAL 31 N 0.23 0.85 -0.01 -1.35 2.07 -1.92 -1.74 116.25 114.39 2uwq h VAL 31 Ca -0.00 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2uwq h VAL 31 Cb 1.08 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2uwq h VAL 31 CO 0.09 0.08 -0.03 0.58 0.02 0.00 0.00 177.57 178.31 2uwq h VAL 32 N -0.47 1.52 -0.86 2.57 2.07 -1.40 -1.60 116.25 118.08 2uwq h VAL 32 Ca -0.03 -1.57 0.18 0.00 0.82 0.00 0.00 66.70 66.11 2uwq h VAL 32 Cb 0.35 2.56 -0.11 0.00 -1.52 0.00 0.00 31.29 32.57 2uwq h VAL 32 CO 0.05 0.41 0.40 0.44 0.02 0.00 0.00 177.57 178.89 2uwq h ASP 33 N -0.61 0.39 0.56 0.57 3.32 -0.59 0.85 116.42 120.91 2uwq h ASP 33 Ca -0.00 0.13 -0.29 0.00 0.02 0.00 0.00 57.03 56.89 2uwq h ASP 33 Cb 0.69 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 2uwq h ASP 33 CO 0.01 0.09 -1.37 -0.07 -1.72 0.00 0.00 179.24 176.17 2uwq h LEU 34 N 0.48 0.40 -3.63 1.55 3.38 -1.38 -3.31 115.31 112.80 2uwq h LEU 34 Ca 0.51 -0.48 -0.43 0.00 0.09 0.00 0.00 57.88 57.57 2uwq h LEU 34 Cb 0.86 -0.13 -0.25 0.00 0.09 0.00 0.00 40.66 41.23 2uwq h LEU 34 CO -0.46 1.39 0.54 0.00 0.09 0.00 0.00 178.44 180.00 2uwq s LYS 36 N -2.69 2.06 0.24 0.00 -0.14 0.21 -4.78 119.74 114.63 2uwq s LYS 36 Ca 0.46 -1.24 0.00 0.00 -1.36 0.00 0.00 55.97 53.83 2uwq s LYS 36 Cb 0.39 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 2uwq s LYS 36 CO 0.09 0.44 0.00 0.39 -0.76 0.00 0.00 175.35 175.51 2uwq n GLU 37 N 0.13 0.00 -2.62 1.68 1.02 -1.26 -5.01 120.64 114.58 2uwq n GLU 37 Ca -0.11 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.65 2uwq n GLU 37 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.92 2uwq n GLU 37 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2uwq s PRO 38 N -1.55 4.43 -1.02 3.49 0.04 -1.26 -4.90 135.00 134.23 2uwq s PRO 38 Ca 0.00 1.51 -0.26 0.00 0.04 0.00 0.00 61.00 62.29 2uwq s PRO 38 Cb 0.00 -2.80 -0.19 0.00 0.04 0.00 0.00 34.50 31.55 2uwq s PRO 38 CO 0.00 0.10 2.17 0.20 0.04 0.00 0.00 177.00 179.51 2uwq s GLY 39 N -1.42 -0.94 -0.12 0.56 0.00 -1.26 -4.87 107.32 99.27 2uwq s GLY 39 Ca 0.52 -1.38 0.02 0.00 0.00 0.00 0.00 44.72 43.88 2uwq s GLY 39 CO 0.29 4.21 -0.19 -0.54 0.00 0.00 0.00 173.10 176.87 2uwq s GLU 40 N 8.37 3.17 0.05 2.90 0.41 -1.26 -5.12 118.70 127.22 2uwq s GLU 40 Ca 0.83 -0.80 0.00 0.00 -0.41 0.00 0.00 54.97 54.59 2uwq s GLU 40 Cb -0.07 -2.46 -0.04 0.00 -1.78 0.00 0.00 34.13 29.78 2uwq s GLU 40 CO 0.15 0.14 0.18 -1.12 -0.49 0.00 0.00 175.26 174.13 2uwq s SER 41 N 0.47 6.23 -0.39 -0.19 0.01 -1.26 -4.74 113.70 113.82 2uwq s SER 41 Ca -0.13 0.24 -0.13 0.00 1.31 0.00 0.00 55.95 57.23 2uwq s SER 41 Cb -0.17 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.19 2uwq s SER 41 CO 0.05 0.18 0.50 0.47 0.41 0.00 0.00 173.24 174.85 2uwq n ASP 42 N 0.42 -7.62 -4.28 2.44 10.43 -1.26 -4.60 116.55 112.08 2uwq n ASP 42 Ca -0.06 0.61 -0.22 0.00 2.57 0.00 0.00 54.79 57.69 2uwq n ASP 42 Cb 0.51 -5.14 -0.12 0.00 1.84 0.00 0.00 41.12 38.22 2uwq n ASP 42 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2uwq s HIS 44 N -1.59 1.32 0.03 0.00 -3.43 -0.90 -4.66 115.29 106.06 2uwq s HIS 44 Ca 0.09 -0.69 -0.00 0.00 -0.80 0.00 0.00 55.06 53.66 2uwq s HIS 44 Cb -0.08 -0.67 -0.04 0.00 -1.43 0.00 0.00 32.58 30.36 2uwq s HIS 44 CO 0.05 0.12 0.16 -1.17 -2.00 0.00 0.00 174.74 171.89 2uwq s LEU 45 N -2.97 4.19 0.15 5.38 2.96 -0.35 -1.64 118.68 126.40 2uwq s LEU 45 Ca 0.15 0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.34 2uwq s LEU 45 Cb 0.00 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 2uwq s LEU 45 CO 0.02 0.21 -0.01 0.00 -1.32 0.00 0.00 176.35 175.25 2uwq s ALA 46 N -1.39 3.19 -0.17 5.97 0.00 0.71 0.50 121.76 130.57 2uwq s ALA 46 Ca 0.30 -1.31 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 2uwq s ALA 46 Cb -0.13 -1.02 0.06 0.00 0.00 0.00 0.00 23.12 22.03 2uwq s ALA 46 CO 0.22 0.54 0.05 -1.83 0.00 0.00 0.00 175.76 174.74 2uwq s GLU 47 N -2.75 0.39 -0.07 0.00 -1.05 0.17 -1.64 118.70 113.76 2uwq s GLU 47 Ca 0.26 -0.20 0.04 0.00 -0.15 0.00 0.00 54.97 54.92 2uwq s GLU 47 Cb -0.10 -1.82 0.00 0.00 -0.44 0.00 0.00 34.13 31.78 2uwq s GLU 47 CO 0.18 -0.60 -0.19 0.08 0.95 0.00 0.00 175.26 175.68 2uwq s VAL 48 N 1.99 1.59 -0.10 1.83 1.01 -0.76 -0.15 120.40 125.82 2uwq s VAL 48 Ca 0.01 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 2uwq s VAL 48 Cb -0.16 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.88 2uwq s VAL 48 CO -0.08 0.46 0.22 -1.66 0.00 0.00 0.00 175.10 174.04 2uwq s TRP 49 N 0.28 -0.29 -1.27 5.22 -2.14 0.42 -0.41 118.94 120.75 2uwq s TRP 49 Ca -0.11 0.71 -0.08 0.00 2.66 0.00 0.00 56.10 59.27 2uwq s TRP 49 Cb -0.15 0.02 0.06 0.00 -3.10 0.00 0.00 33.47 30.31 2uwq s TRP 49 CO 0.05 -0.21 0.46 0.00 -2.66 0.00 0.00 176.95 174.59 2uwq n GLY 51 N -1.16 3.08 3.55 0.00 0.00 -1.26 -4.99 105.19 104.41 2uwq n GLY 51 Ca -0.03 0.00 -0.41 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 -1.18 6.29 -0.17 1.61 0.01 0.20 -4.98 113.70 115.48 2uwq s SER 52 Ca 0.00 -0.87 -0.10 0.00 1.31 0.00 0.00 55.95 56.29 2uwq s SER 52 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 2uwq s SER 52 CO 0.00 -1.71 0.16 -1.83 0.41 0.00 0.00 173.24 170.27 2uwq s GLU 53 N 5.44 4.04 -0.02 12.44 -1.05 -1.26 -0.44 118.70 137.86 2uwq s GLU 53 Ca 0.40 -0.14 -0.10 0.00 -0.15 0.00 0.00 54.97 54.98 2uwq s GLU 53 Cb -0.05 -3.37 0.01 0.00 -0.44 0.00 0.00 34.13 30.28 2uwq s GLU 53 CO 0.04 0.40 0.20 1.03 0.95 0.00 0.00 175.26 177.88 2uwq s ARG 54 N 0.07 0.50 0.03 -4.83 0.52 0.79 -4.96 118.95 111.06 2uwq s ARG 54 Ca 0.11 -0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 54.81 2uwq s ARG 54 Cb -0.12 0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.53 2uwq s ARG 54 CO 0.00 -0.12 1.04 -1.25 0.02 0.00 0.00 175.30 175.00 2uwq s PRO 55 N -1.10 4.54 -0.14 3.54 0.04 -1.26 -0.65 135.00 139.97 2uwq s PRO 55 Ca -0.12 1.53 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 2uwq s PRO 55 Cb -0.06 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 2uwq s PRO 55 CO 0.02 -0.08 -0.11 0.54 0.04 0.00 0.00 177.00 177.41 2uwq s VAL 56 N 0.88 3.20 0.29 -0.36 0.11 0.18 -4.87 120.40 119.82 2uwq s VAL 56 Ca 0.53 -0.60 -0.28 0.00 -2.93 0.00 0.00 61.98 58.70 2uwq s VAL 56 Cb -0.24 -2.36 -0.09 0.00 -1.53 0.00 0.00 36.38 32.16 2uwq s VAL 56 CO 0.29 0.51 0.98 0.00 -3.33 0.00 0.00 175.10 173.55 2uwq s ALA 57 N 0.45 3.28 -0.34 1.54 0.00 -1.26 -1.21 121.76 124.23 2uwq s ALA 57 Ca -0.08 0.64 0.19 0.00 0.00 0.00 0.00 51.96 52.70 2uwq s ALA 57 Cb -0.15 -3.23 0.99 0.00 0.00 0.00 0.00 23.12 20.73 2uwq s ALA 57 CO 0.04 0.10 1.57 -0.25 0.00 0.00 0.00 175.76 177.22 2uwq n ASP 58 N 0.99 0.48 -1.83 0.00 8.00 -1.26 -1.34 116.55 121.60 2uwq n ASP 58 Ca 0.00 0.72 0.04 0.00 0.71 0.00 0.00 54.79 56.26 2uwq n ASP 58 Cb 0.48 -0.78 0.36 0.00 -0.02 0.00 0.00 41.12 41.16 2uwq n ASP 58 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2uwq n ASN 59 N -2.14 5.30 -4.76 -2.24 6.94 -1.26 -3.08 115.26 114.02 2uwq n ASN 59 Ca -0.01 -2.91 -0.37 0.00 -0.02 0.00 0.00 54.58 51.27 2uwq n ASN 59 Cb 0.04 -0.69 -0.07 0.00 -2.36 0.00 0.00 39.78 36.71 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2uwq s GLU 60 N -2.67 4.10 0.33 -3.83 0.41 -0.45 -4.91 118.70 111.68 2uwq s GLU 60 Ca 0.51 0.10 -0.28 0.00 -0.41 0.00 0.00 54.97 54.89 2uwq s GLU 60 Cb 0.39 -3.36 -0.10 0.00 -1.78 0.00 0.00 34.13 29.28 2uwq s GLU 60 CO 0.14 0.38 1.22 1.03 -0.49 0.00 0.00 175.26 177.54 2uwq s ARG 61 N 0.04 4.39 0.00 1.61 0.52 -1.26 -3.17 118.95 121.08 2uwq s ARG 61 Ca 0.17 2.02 0.00 0.00 -0.52 0.00 0.00 55.73 57.40 2uwq s ARG 61 Cb -0.13 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.30 2uwq s ARG 61 CO 0.05 -0.09 0.47 -0.12 0.02 0.00 0.00 175.30 175.63 2uwq n MET 62 N 0.79 0.00 -0.13 3.54 1.56 -1.26 0.70 117.12 122.33 2uwq n MET 62 Ca 0.00 0.47 0.11 0.00 -0.27 0.00 0.00 57.70 58.01 2uwq n MET 62 Cb 0.43 -0.82 0.46 0.00 2.15 0.00 0.00 33.22 35.45 2uwq n MET 62 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 2uwq h PHE 63 N 0.00 0.54 -0.98 1.12 0.04 -1.91 -0.05 116.94 115.71 2uwq h PHE 63 Ca 0.00 0.01 0.15 0.00 2.80 0.00 0.00 57.97 60.93 2uwq h PHE 63 Cb 0.00 -0.17 -0.09 0.00 2.20 0.00 0.00 35.95 37.89 2uwq h PHE 63 CO -0.22 0.25 0.61 0.22 -0.60 0.00 0.00 178.31 178.58 2uwq h ASP 64 N 0.50 0.81 0.97 2.17 3.58 -0.08 0.63 116.42 125.00 2uwq h ASP 64 Ca 0.31 0.06 -0.19 0.00 0.42 0.00 0.00 57.03 57.63 2uwq h ASP 64 Cb 0.54 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 2uwq h ASP 64 CO -0.10 0.38 -0.92 0.58 -2.88 0.00 0.00 179.24 176.31 2uwq h VAL 65 N 0.84 1.63 0.00 2.25 2.07 0.16 -3.15 116.25 120.05 2uwq h VAL 65 Ca 0.51 -3.17 0.00 0.00 0.82 0.00 0.00 66.70 64.86 2uwq h VAL 65 Cb 0.68 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2uwq h VAL 65 CO -0.28 0.90 0.00 0.18 0.02 0.00 0.00 177.57 178.39 2uwq n LEU 66 N -3.41 0.00 0.03 2.57 4.32 0.13 -3.14 117.00 117.50 2uwq n LEU 66 Ca -0.00 0.39 0.11 0.00 -0.02 0.00 0.00 56.01 56.49 2uwq n LEU 66 Cb 0.88 -0.39 0.02 0.00 -1.62 0.00 0.00 43.42 42.31 2uwq n LEU 66 CO 0.46 -0.01 -0.00 1.67 -1.22 0.00 0.00 177.39 178.28 2uwq n GLN 67 N -1.39 0.31 0.06 3.23 -0.06 0.18 -4.12 117.38 115.58 2uwq n GLN 67 Ca 0.10 -0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 55.03 2uwq n GLN 67 Cb 0.28 -1.60 -0.12 0.00 -4.06 0.00 0.00 30.24 24.74 2uwq n GLN 67 CO 0.00 0.00 0.00 0.07 -0.20 0.00 0.00 177.06 176.93 2uwq h ARG 68 N 0.00 0.00 0.60 3.69 0.11 -1.64 -3.36 114.38 113.79 2uwq h ARG 68 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2uwq h ARG 68 Cb 0.74 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.83 2uwq h ARG 68 CO 0.00 0.99 -0.29 0.74 0.10 0.00 0.00 179.97 181.51 2uwq h PHE 69 N 0.00 -0.75 0.00 4.08 0.04 -1.72 -3.50 116.94 115.10 2uwq h PHE 69 Ca -0.01 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2uwq h PHE 69 Cb 1.77 0.25 0.00 0.00 2.20 0.00 0.00 35.95 40.17 2uwq h PHE 69 CO 0.00 -0.46 0.00 0.41 -0.60 0.00 0.00 178.31 177.66 2uwq n GLY 70 N -0.94 -0.31 0.19 -1.45 0.00 -1.26 -4.93 105.19 96.49 2uwq n GLY 70 Ca -0.10 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 2uwq n GLY 70 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2uwq h SER 71 N 0.00 0.64 -1.72 1.61 0.02 -1.93 -3.39 113.55 108.79 2uwq h SER 71 Ca 0.00 -0.44 -0.65 0.00 -0.84 0.00 0.00 61.79 59.86 2uwq h SER 71 Cb 0.00 -0.19 -0.14 0.00 0.14 0.00 0.00 62.40 62.21 2uwq h SER 71 CO 0.00 1.21 1.25 -1.10 -1.14 0.00 0.00 176.83 177.05 2uwq s GLN 72 N -3.59 3.65 0.16 3.45 -0.21 -1.26 -4.79 119.66 117.08 2uwq s GLN 72 Ca -0.07 -1.54 0.11 0.00 0.02 0.00 0.00 55.36 53.88 2uwq s GLN 72 Cb 0.10 -5.16 -0.10 0.00 1.00 0.00 0.00 33.01 28.84 2uwq s GLN 72 CO 0.87 -2.00 1.27 0.00 -2.12 0.00 0.00 175.29 173.31 2uwq h ARG 73 N 9.08 0.00 -1.10 2.91 3.08 -1.81 -3.30 114.38 123.24 2uwq h ARG 73 Ca 0.20 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.69 2uwq h ARG 73 Cb 1.00 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.79 2uwq h ARG 73 CO 1.28 0.72 0.72 0.09 -1.07 0.00 0.00 179.97 181.72 2uwq n ASN 74 N -3.25 6.55 0.00 7.04 4.13 -1.26 -4.03 115.26 124.45 2uwq n ASN 74 Ca -0.01 -3.57 0.00 0.00 1.68 0.00 0.00 54.58 52.68 2uwq n ASN 74 Cb 0.86 -0.95 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 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 -0.69 -0.62 -2.82 3.52 4.07 -1.24 -5.08 120.64 117.79 2uwq n GLU 75 Ca 0.54 -0.33 -0.22 0.00 -0.06 0.00 0.00 57.16 57.10 2uwq n GLU 75 Cb 0.84 -0.82 0.02 0.00 -0.06 0.00 0.00 31.44 31.43 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 3.27 -0.04 6.31 0.11 -1.26 -4.24 120.40 124.54 2uwq s VAL 76 Ca 0.00 -0.62 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 2uwq s VAL 76 Cb 0.00 -3.21 -0.00 0.00 -1.53 0.00 0.00 36.38 31.64 2uwq s VAL 76 CO 0.00 -0.14 -0.17 -0.13 -3.33 0.00 0.00 175.10 171.33 2uwq s ARG 77 N -4.64 1.76 -0.12 1.54 0.52 0.45 -4.87 118.95 113.59 2uwq s ARG 77 Ca 0.53 -0.60 -0.05 0.00 -0.52 0.00 0.00 55.73 55.09 2uwq s ARG 77 Cb -0.10 -1.53 -0.04 0.00 0.52 0.00 0.00 34.95 33.80 2uwq s ARG 77 CO 0.38 0.24 0.05 -0.06 0.02 0.00 0.00 175.30 175.93 2uwq s PHE 78 N 0.04 3.30 -0.01 -0.53 2.99 -0.39 -1.83 117.98 121.55 2uwq s PHE 78 Ca -0.04 0.24 -0.03 0.00 0.00 0.00 0.00 56.93 57.11 2uwq s PHE 78 Cb -0.11 -1.91 0.00 0.00 0.00 0.00 0.00 43.02 41.00 2uwq s PHE 78 CO 0.02 0.45 0.07 -0.06 -0.00 0.00 0.00 175.22 175.70 2uwq s PHE 79 N -0.59 0.01 -0.23 0.36 0.40 -0.65 0.11 117.98 117.40 2uwq s PHE 79 Ca 0.11 -0.01 -0.18 0.00 -0.60 0.00 0.00 56.93 56.25 2uwq s PHE 79 Cb -0.12 -0.03 -0.03 0.00 0.51 0.00 0.00 43.02 43.35 2uwq s PHE 79 CO 0.02 -0.12 0.49 -1.17 0.70 0.00 0.00 175.22 175.14 2uwq s LEU 80 N -0.54 4.11 -0.16 -0.37 1.98 -0.82 -0.21 118.68 122.67 2uwq s LEU 80 Ca -0.06 0.57 0.01 0.00 -2.89 0.00 0.00 54.13 51.77 2uwq s LEU 80 Cb -0.04 -2.64 0.01 0.00 0.66 0.00 0.00 46.19 44.18 2uwq s LEU 80 CO 0.00 -0.20 -0.20 -0.13 -1.89 0.00 0.00 176.35 173.93 2uwq s ARG 81 N 1.86 3.05 -0.17 1.98 1.81 -0.65 -4.76 118.95 122.06 2uwq s ARG 81 Ca 0.22 -0.82 -0.29 0.00 -1.72 0.00 0.00 55.73 53.11 2uwq s ARG 81 Cb -0.15 -2.53 -0.00 0.00 -0.45 0.00 0.00 34.95 31.82 2uwq s ARG 81 CO 0.09 -0.09 1.02 -1.01 -0.68 0.00 0.00 175.30 174.63 2uwq s HIS 82 N 1.01 3.43 0.00 -0.53 3.76 -1.26 -2.12 115.29 119.58 2uwq s HIS 82 Ca -0.02 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.42 2uwq s HIS 82 Cb -0.15 -3.22 0.00 0.00 1.11 0.00 0.00 32.58 30.32 2uwq s HIS 82 CO -0.06 -0.35 0.00 0.39 -0.85 0.00 0.00 174.74 173.87