#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 0.69 3.63 -0.02 0.00 -1.26 -5.11 105.19 103.12 2uwq n GLY -1 Ca 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.01 -0.50 0.00 1.61 1.04 -1.26 -5.11 113.70 107.47 2uwq s SER 0 Ca 0.00 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.35 2uwq s SER 0 Cb 0.00 0.91 0.00 0.00 0.10 0.00 0.00 66.02 67.03 2uwq s SER 0 CO 0.00 -0.20 0.25 0.23 0.98 0.00 0.00 173.24 174.50 2uwq n MET 1 N 2.11 0.00 0.07 4.02 2.81 -1.26 -4.95 117.12 119.92 2uwq n MET 1 Ca -0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 2uwq n MET 1 Cb 0.56 -0.71 0.00 0.00 -0.71 0.00 0.00 33.22 32.36 2uwq n MET 1 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2uwq n MET 2 N -0.37 0.00 -1.38 0.03 0.00 -1.26 -5.09 117.12 109.06 2uwq n MET 2 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.32 2uwq n MET 2 Cb 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 33.22 32.90 2uwq n MET 2 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2uwq n PRO 3 N -3.41 0.36 -3.46 0.03 -0.02 -1.26 -5.02 135.00 122.21 2uwq n PRO 3 Ca 0.00 0.14 -0.16 0.00 -2.02 0.00 0.00 63.50 61.46 2uwq n PRO 3 Cb 0.00 -1.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.25 0.95 -3.59 -0.52 2.81 -1.21 -4.97 117.12 110.85 2uwq n MET 4 Ca 0.10 -2.07 -0.12 0.00 -1.81 0.00 0.00 57.70 53.80 2uwq n MET 4 Cb 0.48 0.89 -0.05 0.00 -0.71 0.00 0.00 33.22 33.84 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 -2.29 -0.33 -0.00 2.03 -0.71 -1.26 -0.84 117.98 114.58 2uwq s PHE 5 Ca 0.07 0.18 0.05 0.00 -1.04 0.00 0.00 56.93 56.20 2uwq s PHE 5 Cb 0.00 0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 42.12 2uwq s PHE 5 CO 0.05 -0.68 -0.16 -0.48 -1.34 0.00 0.00 175.22 172.61 2uwq s LEU 6 N -2.41 2.06 -0.36 -1.99 0.05 -0.69 -4.93 118.68 110.41 2uwq s LEU 6 Ca -0.01 -0.33 -0.10 0.00 0.05 0.00 0.00 54.13 53.73 2uwq s LEU 6 Cb 0.00 -0.80 0.02 0.00 -2.05 0.00 0.00 46.19 43.37 2uwq s LEU 6 CO -0.07 0.17 0.19 -0.89 -0.55 0.00 0.00 176.35 175.20 2uwq s THR 7 N -0.47 4.51 0.44 5.48 2.01 -1.26 -1.31 115.64 125.04 2uwq s THR 7 Ca 0.06 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 2uwq s THR 7 Cb -0.07 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 2uwq s THR 7 CO -0.00 -0.19 0.69 -0.69 -0.69 0.00 0.00 174.62 173.73 2uwq s VAL 8 N 1.55 4.60 -0.14 3.82 1.01 0.37 -1.19 120.40 130.42 2uwq s VAL 8 Ca 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 2uwq s VAL 8 Cb -0.19 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2uwq s VAL 8 CO 0.06 -0.57 -0.09 -0.31 0.00 0.00 0.00 175.10 174.19 2uwq s TYR 9 N -2.57 2.89 -0.06 5.22 4.12 0.29 0.15 117.35 127.39 2uwq s TYR 9 Ca 0.46 -0.49 -0.17 0.00 0.02 0.00 0.00 57.07 56.88 2uwq s TYR 9 Cb -0.10 -1.88 -0.05 0.00 -1.52 0.00 0.00 41.96 38.41 2uwq s TYR 9 CO 0.40 -0.12 0.47 -0.51 0.02 0.00 0.00 175.55 175.81 2uwq s LEU 10 N 0.30 4.36 0.00 -1.29 1.43 -0.23 -2.04 118.68 121.21 2uwq s LEU 10 Ca -0.08 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 2uwq s LEU 10 Cb -0.15 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.38 2uwq s LEU 10 CO 0.05 0.12 0.00 -0.24 0.23 0.00 0.00 176.35 176.51 2uwq n SER 11 N 2.94 -3.81 -2.04 2.29 2.88 -1.26 -3.41 113.62 111.20 2uwq n SER 11 Ca -0.09 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.22 2uwq n SER 11 Cb 0.52 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.05 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 -2.97 6.27 -4.64 -3.46 5.15 -1.26 -4.83 115.26 109.53 2uwq n ASN 12 Ca 0.00 -3.33 -0.34 0.00 -0.60 0.00 0.00 54.58 50.31 2uwq n ASN 12 Cb 0.00 -0.96 -0.10 0.00 -0.53 0.00 0.00 39.78 38.19 2uwq n ASN 12 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2uwq s ASN 13 N -0.68 4.99 -0.01 1.20 0.01 -1.22 -5.00 114.94 114.23 2uwq s ASN 13 Ca 0.45 0.07 0.15 0.00 -0.71 0.00 0.00 52.86 52.81 2uwq s ASN 13 Cb 0.36 -1.34 0.44 0.00 0.41 0.00 0.00 41.25 41.12 2uwq s ASN 13 CO 0.01 0.36 1.37 1.21 -1.51 0.00 0.00 177.10 178.54 2uwq n GLU 14 N 2.11 2.20 0.00 -0.60 0.00 -1.26 -3.97 120.64 119.12 2uwq n GLU 14 Ca -0.18 -1.80 0.00 0.00 0.00 0.00 0.00 57.16 55.18 2uwq n GLU 14 Cb 0.53 -1.41 0.00 0.00 0.00 0.00 0.00 31.44 30.56 2uwq n GLU 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2uwq n GLN 15 N 0.94 4.33 -3.63 5.31 3.00 -1.26 -4.99 117.38 121.08 2uwq n GLN 15 Ca 0.17 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.78 2uwq n GLN 15 Cb 0.44 -0.42 -0.11 0.00 0.00 0.00 0.00 30.24 30.15 2uwq n GLN 15 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2uwq s HIS 16 N -0.79 3.24 0.07 1.08 2.46 -1.25 -5.05 115.29 115.04 2uwq s HIS 16 Ca 0.00 0.12 -0.05 0.00 0.47 0.00 0.00 55.06 55.59 2uwq s HIS 16 Cb 0.00 -2.34 -0.02 0.00 -0.13 0.00 0.00 32.58 30.10 2uwq s HIS 16 CO 0.00 -0.11 0.10 -0.59 -2.47 0.00 0.00 174.74 171.67 2uwq s PHE 17 N 1.54 0.31 -0.16 3.88 -0.71 -1.26 -1.07 117.98 120.51 2uwq s PHE 17 Ca 0.07 -0.79 -0.01 0.00 -1.04 0.00 0.00 56.93 55.16 2uwq s PHE 17 Cb -0.15 -0.20 0.05 0.00 -1.21 0.00 0.00 43.02 41.51 2uwq s PHE 17 CO 0.09 -0.48 -0.01 -0.08 -1.34 0.00 0.00 175.22 173.40 2uwq s THR 18 N -3.89 0.79 0.21 -4.49 -1.32 0.39 -4.87 115.64 102.47 2uwq s THR 18 Ca 0.06 -0.49 -0.05 0.00 -1.21 0.00 0.00 61.69 60.00 2uwq s THR 18 Cb 0.06 -1.08 -0.06 0.00 -1.51 0.00 0.00 72.50 69.92 2uwq s THR 18 CO -0.11 0.03 0.47 -1.83 -2.21 0.00 0.00 174.62 170.98 2uwq s GLU 19 N 1.76 3.65 -0.18 7.08 -1.05 -1.26 -0.48 118.70 128.22 2uwq s GLU 19 Ca 0.01 -0.01 -0.10 0.00 -0.15 0.00 0.00 54.97 54.72 2uwq s GLU 19 Cb -0.15 -2.74 0.06 0.00 -0.44 0.00 0.00 34.13 30.86 2uwq s GLU 19 CO -0.07 0.35 0.44 0.14 0.95 0.00 0.00 175.26 177.06 2uwq s VAL 20 N -1.85 -0.04 -0.17 1.83 -7.23 -0.43 -4.97 120.40 107.54 2uwq s VAL 20 Ca 0.43 0.09 -0.20 0.00 -1.81 0.00 0.00 61.98 60.48 2uwq s VAL 20 Cb -0.11 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 2uwq s VAL 20 CO 0.26 0.04 0.60 -2.16 -0.31 0.00 0.00 175.10 173.53 2uwq s PRO 21 N 1.46 4.25 0.14 4.82 0.04 -1.26 -1.70 135.00 142.74 2uwq s PRO 21 Ca -0.09 0.60 -0.12 0.00 0.04 0.00 0.00 61.00 61.43 2uwq s PRO 21 Cb -0.08 -3.54 0.01 0.00 0.04 0.00 0.00 34.50 30.93 2uwq s PRO 21 CO -0.14 -0.14 0.32 0.14 0.04 0.00 0.00 177.00 177.23 2uwq s VAL 22 N 1.58 0.08 0.40 -0.36 -7.23 -0.02 -4.97 120.40 109.88 2uwq s VAL 22 Ca 0.29 -1.02 0.08 0.00 -1.81 0.00 0.00 61.98 59.51 2uwq s VAL 22 Cb -0.16 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.30 2uwq s VAL 22 CO 0.11 -0.38 0.53 0.42 -0.31 0.00 0.00 175.10 175.47 2uwq s THR 23 N -3.88 3.14 -0.69 5.32 -4.23 -1.26 -3.31 115.64 110.74 2uwq s THR 23 Ca 0.09 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.50 2uwq s THR 23 Cb 0.03 -3.07 -0.08 0.00 1.34 0.00 0.00 72.50 70.72 2uwq s THR 23 CO -0.07 -0.03 2.15 -0.81 -0.54 0.00 0.00 174.62 175.32 2uwq n PRO 24 N -1.77 1.85 0.00 3.99 -0.04 -1.26 -3.18 135.00 134.58 2uwq n PRO 24 Ca 0.06 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 2uwq n PRO 24 Cb 0.59 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 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 3.83 0.00 -3.37 0.54 0.00 -1.26 -5.01 120.64 115.36 2uwq n GLU 25 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 57.23 2uwq n GLU 25 Cb 0.23 -0.39 -0.06 0.00 0.00 0.00 0.00 31.44 31.22 2uwq n GLU 25 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2uwq s THR 26 N -1.88 4.89 -0.03 6.31 -4.23 -1.19 -4.99 115.64 114.51 2uwq s THR 26 Ca 0.00 0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 61.10 2uwq s THR 26 Cb 0.00 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.23 2uwq s THR 26 CO 0.00 -0.04 0.02 0.27 -0.54 0.00 0.00 174.62 174.33 2uwq s ILE 27 N -1.79 0.07 0.00 2.99 -0.00 -1.26 -3.32 121.20 117.89 2uwq s ILE 27 Ca 0.47 0.18 0.00 0.00 -0.00 0.00 0.00 60.65 61.30 2uwq s ILE 27 Cb -0.12 -0.21 0.00 0.00 -0.00 0.00 0.00 42.46 42.13 2uwq s ILE 27 CO 0.20 0.14 0.00 0.00 -0.00 0.00 0.00 174.94 175.29 2uwq h ARG 29 N 0.00 0.19 -0.01 0.00 2.43 -1.90 -2.28 114.38 112.82 2uwq h ARG 29 Ca 0.00 -0.33 -0.17 0.00 -0.81 0.00 0.00 59.98 58.67 2uwq h ARG 29 Cb 0.25 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2uwq h ARG 29 CO 0.00 1.16 -0.77 -0.44 -1.51 0.00 0.00 179.97 178.40 2uwq h ASP 30 N -0.48 0.11 0.23 -3.80 5.19 -1.96 0.58 116.42 116.29 2uwq h ASP 30 Ca -0.26 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.06 2uwq h ASP 30 Cb 1.60 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 41.08 2uwq h ASP 30 CO 0.03 0.84 -0.11 0.58 -3.12 0.00 0.00 179.24 177.46 2uwq h VAL 31 N 0.05 0.83 -0.01 -1.35 2.07 -1.91 -1.74 116.25 114.19 2uwq h VAL 31 Ca -0.02 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2uwq h VAL 31 Cb 1.36 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2uwq h VAL 31 CO 0.11 0.10 -0.06 0.58 0.02 0.00 0.00 177.57 178.31 2uwq h VAL 32 N -0.53 1.52 -0.90 2.57 2.07 -1.45 -1.54 116.25 117.99 2uwq h VAL 32 Ca -0.03 -1.62 0.19 0.00 0.82 0.00 0.00 66.70 66.06 2uwq h VAL 32 Cb 0.39 2.57 -0.11 0.00 -1.52 0.00 0.00 31.29 32.63 2uwq h VAL 32 CO 0.05 0.43 0.46 -0.78 0.02 0.00 0.00 177.57 177.75 2uwq h ASP 33 N -0.58 0.50 0.45 0.57 1.82 -0.96 -0.25 116.42 117.98 2uwq h ASP 33 Ca -0.00 0.12 -0.30 0.00 -0.39 0.00 0.00 57.03 56.45 2uwq h ASP 33 Cb 0.74 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.78 2uwq h ASP 33 CO 0.01 0.14 -1.58 -0.07 -1.61 0.00 0.00 179.24 176.13 2uwq h LEU 34 N 0.55 0.31 -3.70 2.28 3.38 -1.39 -3.34 115.31 113.41 2uwq h LEU 34 Ca 0.53 -0.47 -0.46 0.00 0.09 0.00 0.00 57.88 57.56 2uwq h LEU 34 Cb 0.88 -0.10 -0.25 0.00 0.09 0.00 0.00 40.66 41.28 2uwq h LEU 34 CO -0.44 1.40 0.59 0.00 0.09 0.00 0.00 178.44 180.08 2uwq s LYS 36 N -2.84 2.84 0.11 0.00 1.02 -0.16 -4.71 119.74 116.00 2uwq s LYS 36 Ca 0.49 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 55.24 2uwq s LYS 36 Cb 0.40 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 2uwq s LYS 36 CO 0.07 -0.11 0.00 0.39 -0.92 0.00 0.00 175.35 174.78 2uwq n GLU 37 N -1.66 0.00 0.20 1.68 -0.58 -1.26 -4.95 120.64 114.07 2uwq n GLU 37 Ca 0.03 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.92 2uwq n GLU 37 Cb 0.59 0.00 0.73 0.00 -0.57 0.00 0.00 31.44 32.19 2uwq n GLU 37 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2uwq h PRO 38 N 0.00 0.00 -5.56 3.49 0.13 -2.02 -3.46 132.00 124.57 2uwq h PRO 38 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 2uwq h PRO 38 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 2uwq h PRO 38 CO 0.00 0.00 -0.49 0.41 -0.23 0.00 0.00 178.00 177.69 2uwq n GLY 39 N -1.02 -1.19 3.46 1.56 0.00 -1.26 -5.03 105.19 101.71 2uwq n GLY 39 Ca -0.01 0.52 -0.26 0.00 0.00 0.00 0.00 46.02 46.27 2uwq n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2uwq s GLU 40 N -3.95 1.63 0.24 1.61 2.02 -1.26 -5.14 118.70 113.86 2uwq s GLU 40 Ca 0.23 -1.51 -0.07 0.00 0.02 0.00 0.00 54.97 53.64 2uwq s GLU 40 Cb -0.04 -1.89 -0.06 0.00 0.10 0.00 0.00 34.13 32.24 2uwq s GLU 40 CO 0.77 0.40 0.51 -1.54 0.02 0.00 0.00 175.26 175.42 2uwq s SER 41 N -2.81 6.52 -0.22 -0.19 1.04 -1.26 -4.69 113.70 112.09 2uwq s SER 41 Ca 0.23 0.76 -0.05 0.00 0.48 0.00 0.00 55.95 57.37 2uwq s SER 41 Cb -0.08 -2.16 0.01 0.00 0.10 0.00 0.00 66.02 63.89 2uwq s SER 41 CO 0.11 -0.10 0.26 -0.67 0.98 0.00 0.00 173.24 173.83 2uwq n ASP 42 N -0.44 -4.50 -4.43 7.02 -0.08 -1.26 -4.95 116.55 107.92 2uwq n ASP 42 Ca -0.01 0.16 -0.21 0.00 -1.51 0.00 0.00 54.79 53.22 2uwq n ASP 42 Cb 0.53 -2.85 -0.11 0.00 2.34 0.00 0.00 41.12 41.03 2uwq n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2uwq s HIS 44 N -3.30 -0.08 0.04 0.00 -3.43 -0.78 -4.63 115.29 103.11 2uwq s HIS 44 Ca 0.35 -0.19 0.02 0.00 -0.80 0.00 0.00 55.06 54.44 2uwq s HIS 44 Cb 0.08 0.12 -0.04 0.00 -1.43 0.00 0.00 32.58 31.31 2uwq s HIS 44 CO 0.15 -0.59 0.08 -1.17 -2.00 0.00 0.00 174.74 171.20 2uwq s LEU 45 N -2.55 3.85 0.16 5.38 2.96 -0.30 -1.82 118.68 126.37 2uwq s LEU 45 Ca 0.01 0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.06 2uwq s LEU 45 Cb 0.02 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 2uwq s LEU 45 CO -0.09 0.21 -0.08 0.00 -1.32 0.00 0.00 176.35 175.07 2uwq s ALA 46 N -1.31 2.98 -0.20 5.97 0.00 0.57 0.61 121.76 130.37 2uwq s ALA 46 Ca 0.27 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 2uwq s ALA 46 Cb -0.12 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.25 2uwq s ALA 46 CO 0.19 0.50 -0.02 -1.83 0.00 0.00 0.00 175.76 174.60 2uwq s GLU 47 N -2.71 1.27 -0.11 0.00 -1.05 -0.10 -1.82 118.70 114.17 2uwq s GLU 47 Ca 0.24 -0.69 0.02 0.00 -0.15 0.00 0.00 54.97 54.39 2uwq s GLU 47 Cb -0.09 -2.29 0.01 0.00 -0.44 0.00 0.00 34.13 31.32 2uwq s GLU 47 CO 0.15 -0.57 -0.17 0.08 0.95 0.00 0.00 175.26 175.71 2uwq s VAL 48 N 1.60 1.60 -0.11 1.83 1.01 -0.75 0.18 120.40 125.76 2uwq s VAL 48 Ca -0.03 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2uwq s VAL 48 Cb -0.17 -1.45 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 0.86 0.00 0.00 0.00 175.10 176.58 2uwq s TRP 49 N 0.93 -0.34 -1.47 5.22 -0.00 0.27 -0.59 118.94 122.96 2uwq s TRP 49 Ca -0.07 0.84 -0.01 0.00 -0.00 0.00 0.00 56.10 56.86 2uwq s TRP 49 Cb -0.15 -0.08 0.00 0.00 -0.00 0.00 0.00 33.47 33.24 2uwq s TRP 49 CO -0.01 -0.31 0.21 0.00 -0.00 0.00 0.00 176.95 176.84 2uwq n GLY 51 N -2.30 1.97 3.42 0.00 0.00 -1.26 -4.99 105.19 102.03 2uwq n GLY 51 Ca -0.31 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 2uwq n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2uwq s SER 52 N -3.09 6.39 -0.14 1.61 0.15 0.29 -5.01 113.70 113.88 2uwq s SER 52 Ca 0.00 -1.62 -0.02 0.00 0.70 0.00 0.00 55.95 55.01 2uwq s SER 52 Cb 0.00 -2.37 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 2uwq s SER 52 CO 0.00 -1.16 -0.07 -0.70 1.20 0.00 0.00 173.24 172.52 2uwq s GLU 53 N 2.92 3.55 0.02 5.44 -6.30 -1.26 0.96 118.70 124.04 2uwq s GLU 53 Ca 0.23 -0.57 -0.10 0.00 -2.50 0.00 0.00 54.97 52.03 2uwq s GLU 53 Cb -0.14 -2.81 0.01 0.00 0.00 0.00 0.00 34.13 31.19 2uwq s GLU 53 CO 0.00 0.25 0.21 1.03 0.02 0.00 0.00 175.26 176.78 2uwq s ARG 54 N 0.31 0.66 -0.21 4.30 1.81 0.13 -4.97 118.95 120.98 2uwq s ARG 54 Ca -0.06 -0.50 -0.27 0.00 -1.72 0.00 0.00 55.73 53.17 2uwq s ARG 54 Cb -0.15 0.28 -0.00 0.00 -0.45 0.00 0.00 34.95 34.63 2uwq s ARG 54 CO 0.04 -0.19 0.95 -1.25 -0.68 0.00 0.00 175.30 174.17 2uwq s PRO 55 N -2.14 4.27 -0.18 3.54 0.04 -1.26 -0.92 135.00 138.35 2uwq s PRO 55 Ca -0.08 1.21 -0.08 0.00 0.04 0.00 0.00 61.00 62.09 2uwq s PRO 55 Cb -0.03 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 2uwq s PRO 55 CO -0.01 -0.51 0.08 0.14 0.04 0.00 0.00 177.00 176.73 2uwq s VAL 56 N 2.79 4.93 0.44 -0.36 -7.23 0.20 -4.91 120.40 116.26 2uwq s VAL 56 Ca 0.41 0.02 -0.21 0.00 -1.81 0.00 0.00 61.98 60.39 2uwq s VAL 56 Cb -0.16 -3.22 -0.10 0.00 0.56 0.00 0.00 36.38 33.46 2uwq s VAL 56 CO 0.09 0.47 0.97 0.00 -0.31 0.00 0.00 175.10 176.32 2uwq s ALA 57 N 0.23 3.00 -0.68 1.32 0.00 -1.26 -1.14 121.76 123.23 2uwq s ALA 57 Ca 0.05 0.46 0.16 0.00 0.00 0.00 0.00 51.96 52.62 2uwq s ALA 57 Cb -0.12 -3.18 0.72 0.00 0.00 0.00 0.00 23.12 20.54 2uwq s ALA 57 CO -0.00 0.02 1.48 -0.25 0.00 0.00 0.00 175.76 177.01 2uwq n ASP 58 N -0.69 0.32 -1.32 0.00 9.92 -1.26 -1.67 116.55 121.84 2uwq n ASP 58 Ca 0.07 0.60 0.10 0.00 -0.53 0.00 0.00 54.79 55.04 2uwq n ASP 58 Cb 0.54 -0.66 0.31 0.00 -0.64 0.00 0.00 41.12 40.66 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 -1.88 3.87 -4.57 -2.24 3.02 -1.26 -3.08 115.26 109.12 2uwq n ASN 59 Ca 0.01 -2.15 -0.42 0.00 -0.03 0.00 0.00 54.58 51.99 2uwq n ASN 59 Cb 0.13 -0.49 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 2uwq n ASN 59 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2uwq s GLU 60 N -1.37 3.61 0.22 3.52 2.02 -0.67 -4.87 118.70 121.16 2uwq s GLU 60 Ca 0.45 0.10 -0.31 0.00 0.02 0.00 0.00 54.97 55.24 2uwq s GLU 60 Cb 0.26 -3.86 -0.11 0.00 0.10 0.00 0.00 34.13 30.53 2uwq s GLU 60 CO 0.27 -0.92 1.56 -0.98 0.02 0.00 0.00 175.26 175.22 2uwq s ARG 61 N 3.07 4.20 0.00 1.61 3.03 -1.26 -3.52 118.95 126.07 2uwq s ARG 61 Ca 0.29 2.43 0.00 0.00 2.03 0.00 0.00 55.73 60.48 2uwq s ARG 61 Cb -0.13 -3.10 0.00 0.00 -1.03 0.00 0.00 34.95 30.69 2uwq s ARG 61 CO 0.18 -0.58 0.24 -1.33 -1.13 0.00 0.00 175.30 172.68 2uwq n MET 62 N 3.13 0.00 -0.28 3.89 2.81 -1.21 0.55 117.12 126.01 2uwq n MET 62 Ca 0.11 0.24 0.03 0.00 -1.81 0.00 0.00 57.70 56.26 2uwq n MET 62 Cb 0.38 -0.42 0.10 0.00 -0.71 0.00 0.00 33.22 32.58 2uwq n MET 62 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 2uwq h PHE 63 N 0.00 -0.41 -0.88 2.03 -1.00 -1.86 0.95 116.94 115.77 2uwq h PHE 63 Ca 0.00 0.07 0.09 0.00 2.81 0.00 0.00 57.97 60.94 2uwq h PHE 63 Cb 0.00 0.31 -0.07 0.00 3.61 0.00 0.00 35.95 39.79 2uwq h PHE 63 CO -0.10 -0.34 0.53 -0.44 -1.61 0.00 0.00 178.31 176.35 2uwq h ASP 64 N 0.00 0.79 0.88 2.17 5.19 -0.25 0.63 116.42 125.83 2uwq h ASP 64 Ca 0.39 0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 56.74 2uwq h ASP 64 Cb 0.60 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 2uwq h ASP 64 CO -0.82 0.46 -0.47 0.58 -3.12 0.00 0.00 179.24 175.87 2uwq h VAL 65 N 0.91 1.04 0.00 -1.35 2.07 0.29 -2.77 116.25 116.44 2uwq h VAL 65 Ca 0.41 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 66.11 2uwq h VAL 65 Cb 0.32 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2uwq h VAL 65 CO -0.23 0.46 -0.00 0.18 0.02 0.00 0.00 177.57 178.01 2uwq n LEU 66 N -3.54 0.39 0.05 2.57 4.32 0.29 -3.37 117.00 117.70 2uwq n LEU 66 Ca -0.00 0.54 0.05 0.00 -0.02 0.00 0.00 56.01 56.57 2uwq n LEU 66 Cb 0.58 -0.41 -0.06 0.00 -1.62 0.00 0.00 43.42 41.91 2uwq n LEU 66 CO 0.39 -0.09 -0.22 1.67 -1.22 0.00 0.00 177.39 177.93 2uwq n GLN 67 N -1.86 0.62 0.25 3.23 0.00 0.17 -3.96 117.38 115.84 2uwq n GLN 67 Ca 0.06 0.16 0.15 0.00 -0.00 0.00 0.00 57.00 57.38 2uwq n GLN 67 Cb 0.38 -1.80 0.49 0.00 0.00 0.00 0.00 30.24 29.31 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 -2.11 3.69 0.11 -1.56 -3.32 114.38 111.20 2uwq h ARG 68 Ca -0.10 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.73 2uwq h ARG 68 Cb 1.36 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.38 2uwq h ARG 68 CO 0.03 0.00 0.08 1.19 0.10 0.00 0.00 179.97 181.37 2uwq n PHE 69 N -3.08 0.29 0.00 4.08 3.01 -1.25 -4.90 117.46 115.60 2uwq n PHE 69 Ca 0.02 -1.68 0.00 0.00 1.01 0.00 0.00 57.45 56.80 2uwq n PHE 69 Cb 0.39 -1.70 0.00 0.00 -0.01 0.00 0.00 39.48 38.16 2uwq n PHE 69 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2uwq n GLY 70 N 2.60 0.36 0.38 1.37 0.00 -1.25 -2.89 105.19 105.75 2uwq n GLY 70 Ca 0.47 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.98 2uwq n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uwq n SER 71 N 3.14 0.31 -4.56 1.61 3.41 -1.26 -4.96 113.62 111.31 2uwq n SER 71 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 2uwq n SER 71 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2uwq n SER 71 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2uwq s GLN 72 N -1.28 2.18 0.35 4.33 -0.21 -1.14 -4.74 119.66 119.15 2uwq s GLN 72 Ca 0.00 0.06 0.19 0.00 0.02 0.00 0.00 55.36 55.63 2uwq s GLN 72 Cb 0.00 -4.93 0.40 0.00 1.00 0.00 0.00 33.01 29.48 2uwq s GLN 72 CO 0.00 -3.78 1.60 0.00 -2.12 0.00 0.00 175.29 170.99 2uwq h ARG 73 N 12.07 0.00 -0.96 2.91 3.08 -1.86 -3.17 114.38 126.45 2uwq h ARG 73 Ca 0.04 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.73 2uwq h ARG 73 Cb 1.01 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.85 2uwq h ARG 73 CO 1.13 0.37 0.46 0.09 -1.07 0.00 0.00 179.97 180.95 2uwq n ASN 74 N -3.29 3.73 0.00 7.04 5.03 -1.26 -3.90 115.26 122.60 2uwq n ASN 74 Ca 0.01 -3.21 0.00 0.00 0.87 0.00 0.00 54.58 52.26 2uwq n ASN 74 Cb 0.61 -0.75 0.00 0.00 -1.02 0.00 0.00 39.78 38.61 2uwq n ASN 74 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2uwq n GLU 75 N -0.65 1.77 -3.18 3.52 4.07 -1.20 -5.07 120.64 119.90 2uwq n GLU 75 Ca 0.44 -0.24 -0.22 0.00 -0.06 0.00 0.00 57.16 57.08 2uwq n GLU 75 Cb 1.38 -0.69 0.00 0.00 -0.06 0.00 0.00 31.44 32.07 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 -0.32 4.31 -0.02 6.31 0.11 -1.25 -4.08 120.40 125.47 2uwq s VAL 76 Ca 0.00 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 58.51 2uwq s VAL 76 Cb 0.00 -3.57 -0.01 0.00 -1.53 0.00 0.00 36.38 31.27 2uwq s VAL 76 CO 0.00 -0.36 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.14 2uwq s ARG 77 N -4.42 1.18 -0.09 1.54 0.52 0.24 -4.88 118.95 113.04 2uwq s ARG 77 Ca 0.45 -0.49 -0.01 0.00 -0.52 0.00 0.00 55.73 55.17 2uwq s ARG 77 Cb -0.10 -1.12 -0.03 0.00 0.52 0.00 0.00 34.95 34.22 2uwq s ARG 77 CO 0.36 0.27 -0.04 -0.06 0.02 0.00 0.00 175.30 175.85 2uwq s PHE 78 N -0.22 3.04 -0.02 -0.53 0.08 -0.33 -1.81 117.98 118.19 2uwq s PHE 78 Ca 0.03 0.03 -0.03 0.00 0.12 0.00 0.00 56.93 57.08 2uwq s PHE 78 Cb -0.06 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2uwq s PHE 78 CO -0.00 0.31 0.07 -0.06 -0.10 0.00 0.00 175.22 175.45 2uwq s PHE 79 N -0.61 -0.06 -0.27 0.36 0.40 -0.75 0.11 117.98 117.15 2uwq s PHE 79 Ca 0.10 0.14 -0.18 0.00 -0.60 0.00 0.00 56.93 56.39 2uwq s PHE 79 Cb -0.12 0.01 -0.02 0.00 0.51 0.00 0.00 43.02 43.40 2uwq s PHE 79 CO 0.02 -0.06 0.52 -1.17 0.70 0.00 0.00 175.22 175.22 2uwq s LEU 80 N -0.14 4.08 -0.02 -0.37 1.98 -0.87 -0.32 118.68 123.04 2uwq s LEU 80 Ca -0.02 0.45 0.05 0.00 -2.89 0.00 0.00 54.13 51.72 2uwq s LEU 80 Cb -0.02 -2.65 -0.01 0.00 0.66 0.00 0.00 46.19 44.17 2uwq s LEU 80 CO 0.00 -0.31 -0.15 -0.13 -1.89 0.00 0.00 176.35 173.86 2uwq s ARG 81 N 2.33 1.31 -0.20 1.98 1.81 -0.75 -4.71 118.95 120.71 2uwq s ARG 81 Ca 0.21 -0.55 -0.01 0.00 -1.72 0.00 0.00 55.73 53.66 2uwq s ARG 81 Cb -0.16 -1.24 0.01 0.00 -0.45 0.00 0.00 34.95 33.11 2uwq s ARG 81 CO 0.10 0.31 -0.12 -1.01 -0.68 0.00 0.00 175.30 173.90 2uwq s HIS 82 N -0.28 2.87 -2.00 -0.53 3.76 -1.26 -1.87 115.29 115.97 2uwq s HIS 82 Ca 0.04 -1.30 0.18 0.00 -0.15 0.00 0.00 55.06 53.84 2uwq s HIS 82 Cb -0.07 -2.01 1.10 0.00 1.11 0.00 0.00 32.58 32.71 2uwq s HIS 82 CO -0.00 -0.68 1.50 0.39 -0.85 0.00 0.00 174.74 175.09