#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yre s SER -5 N 0.00 -1.05 0.36 1.61 1.04 -1.26 -5.17 113.70 109.24 2yre s SER -5 Ca 0.00 1.45 -0.17 0.00 0.48 0.00 0.00 55.95 57.71 2yre s SER -5 Cb 0.00 2.18 0.05 0.00 0.10 0.00 0.00 66.02 68.34 2yre s SER -5 CO 0.00 -0.22 0.77 -0.55 0.98 0.00 0.00 173.24 174.22 2yre s SER -4 N 2.86 -0.04 0.00 7.02 0.15 -1.26 -5.18 113.70 117.25 2yre s SER -4 Ca -0.03 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.57 2yre s SER -4 Cb -0.12 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 2yre s SER -4 CO -0.18 -1.62 0.00 0.61 1.20 0.00 0.00 173.24 173.25 2yre n GLY -3 N -0.52 2.83 3.34 9.45 0.00 -1.26 -5.17 105.19 113.87 2yre n GLY -3 Ca -0.07 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 2yre n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yre s SER -2 N 0.17 0.07 0.13 1.61 1.04 -1.26 -5.18 113.70 110.28 2yre s SER -2 Ca 0.00 -1.17 -0.25 0.00 0.48 0.00 0.00 55.95 55.00 2yre s SER -2 Cb 0.00 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.64 2yre s SER -2 CO 0.00 -0.94 1.03 -0.44 0.98 0.00 0.00 173.24 173.87 2yre s SER -1 N -3.09 -0.12 0.00 7.02 0.01 -1.26 -5.14 113.70 111.12 2yre s SER -1 Ca 0.30 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2yre s SER -1 Cb 0.04 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2yre s SER -1 CO 0.09 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2yre n GLY 0 N -0.52 1.74 3.17 3.44 0.00 -1.26 -5.16 105.19 106.60 2yre n GLY 0 Ca -0.06 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2yre n GLY 0 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2yre s MET 1 N -0.13 2.32 -0.24 1.61 1.00 -1.26 -5.12 119.30 117.49 2yre s MET 1 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 55.69 54.85 2yre s MET 1 Cb 0.00 -1.89 0.09 0.00 0.00 0.00 0.00 34.83 33.03 2yre s MET 1 CO 0.00 0.21 0.57 -1.21 0.00 0.00 0.00 175.02 174.59 2yre s GLU 2 N 0.21 0.54 0.25 2.03 2.02 -1.26 -5.17 118.70 117.31 2yre s GLU 2 Ca -0.10 1.13 0.01 0.00 0.02 0.00 0.00 54.97 56.02 2yre s GLU 2 Cb -0.15 0.27 -0.05 0.00 0.10 0.00 0.00 34.13 34.31 2yre s GLU 2 CO 0.05 -0.18 0.11 -1.83 0.02 0.00 0.00 175.26 173.43 2yre s GLU 3 N 1.98 1.38 0.42 1.61 -1.05 -1.26 -5.13 118.70 116.64 2yre s GLU 3 Ca -0.08 -1.74 -0.26 0.00 -0.15 0.00 0.00 54.97 52.74 2yre s GLU 3 Cb -0.08 -0.13 -0.10 0.00 -0.44 0.00 0.00 34.13 33.39 2yre s GLU 3 CO -0.17 -0.33 1.40 -1.91 0.95 0.00 0.00 175.26 175.20 2yre n GLU 4 N -0.43 2.26 -4.67 -4.83 2.13 -1.26 -5.02 120.64 108.83 2yre n GLU 4 Ca 0.01 0.80 -0.30 0.00 0.66 0.00 0.00 57.16 58.33 2yre n GLU 4 Cb 0.66 -2.56 -0.08 0.00 0.27 0.00 0.00 31.44 29.73 2yre n GLU 4 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2yre s LEU 5 N -2.19 2.25 0.96 4.31 1.43 -1.26 -5.15 118.68 119.03 2yre s LEU 5 Ca 0.59 -1.63 -0.13 0.00 -1.03 0.00 0.00 54.13 51.93 2yre s LEU 5 Cb -0.48 -0.55 0.17 0.00 0.03 0.00 0.00 46.19 45.36 2yre s LEU 5 CO 0.59 -0.83 1.14 0.00 0.23 0.00 0.00 176.35 177.48 2yre s GLN 6 N -3.81 0.75 -0.23 1.70 -2.07 -1.26 -5.06 119.66 109.68 2yre s GLN 6 Ca 0.15 0.22 0.02 0.00 -1.82 0.00 0.00 55.36 53.92 2yre s GLN 6 Cb 0.03 -1.80 0.05 0.00 -1.09 0.00 0.00 33.01 30.20 2yre s GLN 6 CO 0.08 -2.45 -0.11 -1.01 -1.32 0.00 0.00 175.29 170.48 2yre s HIS 7 N -3.26 2.80 0.24 9.60 3.76 -1.26 -5.00 115.29 122.17 2yre s HIS 7 Ca 0.66 -1.93 0.06 0.00 -0.15 0.00 0.00 55.06 53.70 2yre s HIS 7 Cb -0.14 -1.78 0.71 0.00 1.11 0.00 0.00 32.58 32.48 2yre s HIS 7 CO 0.54 -0.81 1.16 0.45 -0.85 0.00 0.00 174.74 175.23 2yre n SER 8 N 4.57 0.03 0.05 1.40 2.88 -1.19 0.25 113.62 121.61 2yre n SER 8 Ca -0.15 1.24 -0.02 0.00 -1.33 0.00 0.00 58.87 58.61 2yre n SER 8 Cb 0.45 -0.50 -0.01 0.00 -0.75 0.00 0.00 64.21 63.39 2yre n SER 8 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2yre h HIS 9 N 0.00 -0.13 -0.70 0.66 -0.00 -1.56 -3.17 115.15 110.25 2yre h HIS 9 Ca 0.51 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.98 2yre h HIS 9 Cb 1.17 0.04 -0.12 0.00 -0.00 0.00 0.00 27.41 28.50 2yre h HIS 9 CO -0.25 -0.08 -0.39 0.00 -0.00 0.00 0.00 177.93 177.21 2yre h VAL 11 N -0.14 0.22 -0.48 0.00 -1.51 -0.33 0.71 116.25 114.72 2yre h VAL 11 Ca 0.24 0.00 -0.36 0.00 -1.23 0.00 0.00 66.70 65.35 2yre h VAL 11 Cb 0.56 0.30 -0.28 0.00 -2.13 0.00 0.00 31.29 29.74 2yre h VAL 11 CO -0.77 0.00 -0.72 -0.46 -1.23 0.00 0.00 177.57 174.40 2yre n ASN 12 N -3.74 3.76 -3.95 4.19 0.23 0.30 -4.99 115.26 111.06 2yre n ASN 12 Ca 0.22 -3.76 -0.27 0.00 -0.53 0.00 0.00 54.58 50.24 2yre n ASN 12 Cb 1.26 -0.41 -0.17 0.00 -2.08 0.00 0.00 39.78 38.39 2yre n ASN 12 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yre n VAL 14 N 4.70 0.16 -1.68 0.00 0.24 -1.26 -4.91 118.33 115.57 2yre n VAL 14 Ca -0.15 -0.15 -0.48 0.00 -2.04 0.00 0.00 64.34 61.52 2yre n VAL 14 Cb 0.50 -0.28 -0.05 0.00 -1.47 0.00 0.00 33.84 32.55 2yre n VAL 14 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2yre n SER 15 N -1.93 3.26 0.24 -1.34 7.64 -1.26 -4.90 113.62 115.34 2yre n SER 15 Ca -0.04 1.02 -0.14 0.00 1.01 0.00 0.00 58.87 60.72 2yre n SER 15 Cb 0.40 -1.38 -0.08 0.00 -1.01 0.00 0.00 64.21 62.14 2yre n SER 15 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2yre h ARG 16 N 7.89 -0.61 -2.01 1.43 2.43 -1.95 -3.11 114.38 118.44 2yre h ARG 16 Ca -0.47 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.68 2yre h ARG 16 Cb 1.27 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.93 2yre h ARG 16 CO 0.92 -0.31 -0.13 -2.13 -1.51 0.00 0.00 179.97 176.81 2yre n ARG 17 N -5.25 1.33 -1.71 0.20 3.00 -1.26 -4.74 116.66 108.22 2yre n ARG 17 Ca -0.11 -0.34 -0.42 0.00 -0.00 0.00 0.00 57.85 56.98 2yre n ARG 17 Cb 0.31 -1.35 -0.03 0.00 0.00 0.00 0.00 32.46 31.39 2yre n ARG 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2yre n MET 19 N 7.74 3.13 -3.17 0.00 0.00 -1.26 -4.93 117.12 118.63 2yre n MET 19 Ca 0.21 -3.75 -0.39 0.00 0.00 0.00 0.00 57.70 53.77 2yre n MET 19 Cb 0.42 -2.28 -0.06 0.00 0.00 0.00 0.00 33.22 31.30 2yre n MET 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2yre s THR 20 N -4.80 4.78 -0.01 3.17 2.01 -1.26 -5.00 115.64 114.53 2yre s THR 20 Ca 0.57 1.34 -0.31 0.00 0.31 0.00 0.00 61.69 63.60 2yre s THR 20 Cb 0.46 -3.97 -0.10 0.00 0.01 0.00 0.00 72.50 68.90 2yre s THR 20 CO -0.03 0.45 1.96 -1.14 -0.69 0.00 0.00 174.62 175.17 2yre n ARG 21 N 2.37 2.64 -2.15 4.92 0.63 -1.26 -4.91 116.66 118.91 2yre n ARG 21 Ca -0.07 0.96 -0.42 0.00 -0.92 0.00 0.00 57.85 57.40 2yre n ARG 21 Cb 0.51 -2.90 -0.03 0.00 0.45 0.00 0.00 32.46 30.49 2yre n ARG 21 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2yre s PRO 22 N 4.41 4.20 0.30 -0.14 0.04 -1.26 -4.65 135.00 137.89 2yre s PRO 22 Ca 0.91 2.01 0.07 0.00 0.04 0.00 0.00 61.00 64.03 2yre s PRO 22 Cb -0.51 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.09 2yre s PRO 22 CO 0.45 -0.80 0.30 -1.21 0.04 0.00 0.00 177.00 175.78 2yre s GLU 23 N 3.84 2.95 0.00 4.56 0.41 0.67 -4.88 118.70 126.24 2yre s GLU 23 Ca 0.67 -1.10 0.00 0.00 -0.41 0.00 0.00 54.97 54.13 2yre s GLU 23 Cb -0.29 -2.61 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 2yre s GLU 23 CO 0.25 0.23 0.38 -0.35 -0.49 0.00 0.00 175.26 175.28 2yre n PRO 24 N -1.36 0.49 0.04 0.39 -0.04 -1.26 -4.02 135.00 129.25 2yre n PRO 24 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2yre n PRO 24 Cb 0.58 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 2yre n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yre n GLY 25 N 0.11 -0.84 0.19 0.55 0.00 -1.26 -5.02 105.19 98.92 2yre n GLY 25 Ca 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 2yre n GLY 25 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2yre h ILE 26 N 0.00 0.00 -3.36 -0.61 5.03 -1.95 -3.38 117.51 113.24 2yre h ILE 26 Ca 0.00 0.00 -0.39 0.00 -0.12 0.00 0.00 64.86 64.35 2yre h ILE 26 Cb 0.00 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 33.63 2yre h ILE 26 CO 0.00 0.00 -0.74 -0.55 -0.68 0.00 0.00 178.15 176.18 2yre s SER 27 N -3.16 2.03 0.42 1.72 0.15 -1.26 -1.47 113.70 112.14 2yre s SER 27 Ca -0.07 -0.93 0.05 0.00 0.70 0.00 0.00 55.95 55.70 2yre s SER 27 Cb 0.02 -0.06 -0.06 0.00 -1.71 0.00 0.00 66.02 64.21 2yre s SER 27 CO 0.23 -0.22 0.03 0.00 1.20 0.00 0.00 173.24 174.48 2yre s ASP 29 N -3.69 5.41 -0.02 0.00 1.01 -1.26 -4.63 116.67 113.49 2yre s ASP 29 Ca 0.28 2.22 -0.11 0.00 0.71 0.00 0.00 52.55 55.65 2yre s ASP 29 Cb 0.07 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 2yre s ASP 29 CO 0.14 -1.43 0.32 -0.76 0.21 0.00 0.00 175.17 173.65 2yre s LEU 30 N -4.09 4.43 -0.01 1.23 1.43 -1.26 -2.56 118.68 117.86 2yre s LEU 30 Ca 0.73 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 2yre s LEU 30 Cb -0.25 -2.51 -0.00 0.00 0.03 0.00 0.00 46.19 43.45 2yre s LEU 30 CO 0.32 0.32 -0.06 0.27 0.23 0.00 0.00 176.35 177.43 2yre s ILE 31 N -1.13 0.46 0.36 -0.59 -5.25 -0.86 -4.85 121.20 109.34 2yre s ILE 31 Ca 0.23 -0.25 -0.25 0.00 -0.99 0.00 0.00 60.65 59.39 2yre s ILE 31 Cb -0.15 -0.39 -0.09 0.00 2.95 0.00 0.00 42.46 44.78 2yre s ILE 31 CO 0.12 0.13 1.01 -0.83 -1.79 0.00 0.00 174.94 173.58 2yre s GLY 32 N -0.12 2.79 0.14 6.27 0.00 -1.26 -2.92 107.32 112.22 2yre s GLY 32 Ca 0.02 0.65 -0.34 0.00 0.00 0.00 0.00 44.72 45.05 2yre s GLY 32 CO -0.00 1.10 1.08 0.00 0.00 0.00 0.00 173.10 175.28 2yre n PRO 34 N 1.69 0.24 -0.37 0.00 -0.04 -1.26 -2.02 135.00 133.24 2yre n PRO 34 Ca 0.17 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 2yre n PRO 34 Cb 0.21 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.40 2yre n PRO 34 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2yre n LEU 35 N -1.25 3.60 -3.38 1.53 4.77 -1.26 -4.96 117.00 116.05 2yre n LEU 35 Ca 0.08 -2.80 -0.21 0.00 -0.03 0.00 0.00 56.01 53.04 2yre n LEU 35 Cb 0.11 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 2yre n LEU 35 CO 0.11 0.68 -0.06 1.33 -1.33 0.00 0.00 177.39 178.12 2yre n VAL 36 N -0.34 -0.49 0.27 4.08 0.24 -0.86 -4.77 118.33 116.48 2yre n VAL 36 Ca 0.19 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.61 2yre n VAL 36 Cb 0.78 -1.04 0.78 0.00 -1.47 0.00 0.00 33.84 32.89 2yre n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yre n GLY 38 N -1.06 0.67 3.38 0.00 0.00 -1.26 -5.04 105.19 101.87 2yre n GLY 38 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2yre n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yre s ALA 39 N -1.34 -1.19 -0.26 4.61 0.00 -1.26 -5.09 121.76 117.23 2yre s ALA 39 Ca 0.00 1.32 -0.05 0.00 0.00 0.00 0.00 51.96 53.23 2yre s ALA 39 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.38 2yre s ALA 39 CO 0.00 -0.23 0.02 0.08 0.00 0.00 0.00 175.76 175.63 2yre s VAL 40 N 0.15 3.69 0.08 0.00 1.01 -1.26 -2.37 120.40 121.70 2yre s VAL 40 Ca -0.01 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2yre s VAL 40 Cb -0.03 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2yre s VAL 40 CO 0.01 0.24 -0.09 0.72 0.00 0.00 0.00 175.10 175.98 2yre s PHE 41 N 1.49 0.92 0.25 5.22 -0.12 -1.15 -4.59 117.98 120.01 2yre s PHE 41 Ca 0.04 -0.68 -0.31 0.00 -0.05 0.00 0.00 56.93 55.93 2yre s PHE 41 Cb -0.16 -0.52 -0.12 0.00 -0.63 0.00 0.00 43.02 41.59 2yre s PHE 41 CO -0.00 -0.06 1.56 0.72 -0.05 0.00 0.00 175.22 177.40 2yre n HIS 42 N 0.65 2.60 -0.33 3.49 8.25 -1.26 -2.03 115.22 126.60 2yre n HIS 42 Ca -0.17 0.27 0.26 0.00 -0.26 0.00 0.00 57.72 57.82 2yre n HIS 42 Cb 0.58 -2.57 0.48 0.00 1.12 0.00 0.00 29.99 29.60 2yre n HIS 42 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2yre h SER 43 N 5.04 0.04 -0.29 0.41 4.64 -1.77 1.79 113.55 123.40 2yre h SER 43 Ca -0.46 0.27 -0.09 0.00 -0.47 0.00 0.00 61.79 61.04 2yre h SER 43 Cb 1.24 0.35 -0.02 0.00 -0.31 0.00 0.00 62.40 63.66 2yre h SER 43 CO 0.82 -0.41 -0.14 0.00 -0.87 0.00 0.00 176.83 176.23 2yre h LYS 45 N 0.65 0.53 -0.29 0.00 1.79 0.23 -3.33 116.57 116.15 2yre h LYS 45 Ca 0.11 -0.35 0.03 0.00 -2.18 0.00 0.00 60.65 58.26 2yre h LYS 45 Cb 0.60 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 2yre h LYS 45 CO 0.04 0.96 -0.17 0.00 -1.08 0.00 0.00 179.45 179.20 2yre n ALA 46 N -2.52 -0.18 -0.30 3.86 0.00 0.38 0.12 120.51 121.86 2yre n ALA 46 Ca -0.03 0.25 0.10 0.00 0.00 0.00 0.00 53.44 53.75 2yre n ALA 46 Cb 0.62 0.15 0.20 0.00 0.00 0.00 0.00 19.45 20.41 2yre n ALA 46 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2yre n ASP 47 N -3.61 -0.19 0.09 0.00 5.68 -1.25 -0.44 116.55 116.83 2yre n ASP 47 Ca 0.01 1.46 -0.10 0.00 -0.50 0.00 0.00 54.79 55.66 2yre n ASP 47 Cb 0.08 -0.49 -0.06 0.00 -1.14 0.00 0.00 41.12 39.50 2yre n ASP 47 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2yre h GLU 48 N 0.00 -0.30 -0.87 0.11 4.39 0.65 -3.33 114.58 115.23 2yre h GLU 48 Ca 0.47 0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.32 2yre h GLU 48 Cb 0.88 0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 29.46 2yre h GLU 48 CO -0.84 0.03 -0.42 1.25 -1.16 0.00 0.00 179.01 177.87 2yre h HIS 49 N -0.96 -1.23 -0.80 4.33 2.76 0.18 0.30 115.15 119.73 2yre h HIS 49 Ca -0.03 0.10 0.26 0.00 -2.20 0.00 0.00 60.37 58.50 2yre h HIS 49 Cb 0.47 0.66 -0.15 0.00 1.55 0.00 0.00 27.41 29.95 2yre h HIS 49 CO 0.05 -0.40 0.16 0.54 -1.30 0.00 0.00 177.93 176.99 2yre n ARG 50 N -5.42 -0.06 -0.13 5.26 1.74 0.41 0.11 116.66 118.57 2yre n ARG 50 Ca 0.07 1.16 -0.05 0.00 -0.77 0.00 0.00 57.85 58.26 2yre n ARG 50 Cb 0.36 -1.92 0.02 0.00 -1.02 0.00 0.00 32.46 29.90 2yre n ARG 50 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2yre h LEU 51 N 0.00 -0.64 0.06 0.55 3.38 -0.54 -2.50 115.31 115.62 2yre h LEU 51 Ca 0.55 0.16 -0.22 0.00 0.09 0.00 0.00 57.88 58.46 2yre h LEU 51 Cb 1.27 0.36 0.02 0.00 0.09 0.00 0.00 40.66 42.40 2yre h LEU 51 CO -0.70 -0.22 -0.88 -0.07 0.09 0.00 0.00 178.44 176.66 2yre h LEU 52 N -0.10 0.67 -6.19 1.67 4.07 0.76 -3.47 115.31 112.72 2yre h LEU 52 Ca 0.21 -0.81 -0.55 0.00 0.08 0.00 0.00 57.88 56.82 2yre h LEU 52 Cb 0.42 -0.21 0.03 0.00 1.08 0.00 0.00 40.66 41.98 2yre h LEU 52 CO -0.50 1.40 0.06 0.00 -1.08 0.00 0.00 178.44 178.33 2yre h PRO 54 N 2.13 0.00 0.02 0.00 0.13 -1.90 -3.17 132.00 129.21 2yre h PRO 54 Ca -0.35 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.69 2yre h PRO 54 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 2yre h PRO 54 CO 0.46 0.00 -0.47 0.74 -0.23 0.00 0.00 178.00 178.50 2yre h PHE 55 N 0.00 0.08 -0.78 1.56 -1.00 -1.90 0.59 116.94 115.49 2yre h PHE 55 Ca 0.00 -0.06 -0.48 0.00 2.81 0.00 0.00 57.97 60.24 2yre h PHE 55 Cb 0.45 -0.00 0.08 0.00 3.61 0.00 0.00 35.95 40.09 2yre h PHE 55 CO 0.00 1.18 -0.42 -1.91 -1.61 0.00 0.00 178.31 175.55 2yre n GLU 56 N -4.48 0.00 -1.69 1.51 4.07 -1.20 -4.05 120.64 114.80 2yre n GLU 56 Ca -0.17 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.51 2yre n GLU 56 Cb 0.59 -0.73 -0.03 0.00 -0.06 0.00 0.00 31.44 31.21 2yre n GLU 56 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2yre n ARG 57 N 0.76 2.74 -4.12 5.31 0.63 -1.26 -3.79 116.66 116.92 2yre n ARG 57 Ca 0.12 0.99 -0.15 0.00 -0.92 0.00 0.00 57.85 57.90 2yre n ARG 57 Cb 0.19 -2.87 -0.14 0.00 0.45 0.00 0.00 32.46 30.10 2yre n ARG 57 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2yre s VAL 58 N 2.34 0.42 0.47 5.15 -7.23 0.26 -4.94 120.40 116.87 2yre s VAL 58 Ca 0.81 -0.41 -0.22 0.00 -1.81 0.00 0.00 61.98 60.34 2yre s VAL 58 Cb -0.50 -0.39 -0.07 0.00 0.56 0.00 0.00 36.38 35.97 2yre s VAL 58 CO 0.37 -0.01 1.16 -2.16 -0.31 0.00 0.00 175.10 174.15 2yre s PRO 59 N -0.46 3.69 0.08 4.82 0.04 -1.26 -1.71 135.00 140.19 2yre s PRO 59 Ca -0.01 1.74 -0.37 0.00 0.04 0.00 0.00 61.00 62.40 2yre s PRO 59 Cb -0.04 -2.33 -0.17 0.00 0.04 0.00 0.00 34.50 32.00 2yre s PRO 59 CO -0.00 -0.60 1.23 0.00 0.04 0.00 0.00 177.00 177.66 2yre n LEU 61 N 2.18 0.27 -2.02 0.00 4.77 -1.26 0.14 117.00 121.09 2yre n LEU 61 Ca 0.18 1.57 -0.18 0.00 -0.03 0.00 0.00 56.01 57.55 2yre n LEU 61 Cb 0.17 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2yre n LEU 61 CO 0.62 -1.74 1.31 -0.46 -1.33 0.00 0.00 177.39 175.79 2yre n ASN 62 N -5.16 6.34 0.26 -1.43 0.23 -1.26 -4.51 115.26 109.73 2yre n ASN 62 Ca 0.34 -3.03 0.18 0.00 -0.53 0.00 0.00 54.58 51.54 2yre n ASN 62 Cb 1.15 -1.12 0.92 0.00 -2.08 0.00 0.00 39.78 38.65 2yre n ASN 62 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2yre h SER 63 N 1.89 0.00 -0.23 0.53 4.64 0.95 -1.96 113.55 119.37 2yre h SER 63 Ca 0.29 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.45 2yre h SER 63 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2yre h SER 63 CO 0.71 0.00 -0.48 -0.78 -0.87 0.00 0.00 176.83 175.42 2yre h ASP 64 N 0.00 0.82 -0.72 4.97 3.58 -1.83 -3.16 116.42 120.07 2yre h ASP 64 Ca 0.00 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 56.90 2yre h ASP 64 Cb 0.08 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.86 2yre h ASP 64 CO 0.00 1.22 0.46 -0.26 -2.88 0.00 0.00 179.24 177.78 2yre h PHE 65 N 0.45 0.93 0.00 0.28 -1.00 -1.73 -3.46 116.94 112.42 2yre h PHE 65 Ca 0.01 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2yre h PHE 65 Cb 1.08 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 40.33 2yre h PHE 65 CO 0.08 0.60 0.00 0.41 -1.61 0.00 0.00 178.31 177.80 2yre n GLY 66 N -1.37 0.94 3.47 -1.45 0.00 -1.19 -5.10 105.19 100.48 2yre n GLY 66 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2yre n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yre n PRO 68 N 5.50 0.10 -1.86 0.00 -0.04 -1.26 -4.53 135.00 132.92 2yre n PRO 68 Ca -0.08 0.35 -0.41 0.00 -0.04 0.00 0.00 63.50 63.31 2yre n PRO 68 Cb 0.47 -1.69 -0.01 0.00 -0.04 0.00 0.00 33.50 32.22 2yre n PRO 68 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2yre s PHE 69 N -3.17 2.79 -0.03 0.54 0.40 -1.26 -4.97 117.98 112.28 2yre s PHE 69 Ca 0.05 0.98 -0.01 0.00 -0.60 0.00 0.00 56.93 57.35 2yre s PHE 69 Cb 0.09 -3.97 0.03 0.00 0.51 0.00 0.00 43.02 39.68 2yre s PHE 69 CO 0.33 -3.12 0.05 0.95 0.70 0.00 0.00 175.22 174.13 2yre s THR 70 N -0.36 -0.05 0.31 0.64 -4.23 -1.26 -2.63 115.64 108.06 2yre s THR 70 Ca 0.59 0.19 -0.18 0.00 -1.18 0.00 0.00 61.69 61.10 2yre s THR 70 Cb -0.46 -0.11 0.06 0.00 1.34 0.00 0.00 72.50 73.34 2yre s THR 70 CO 0.51 0.08 0.89 0.00 -0.54 0.00 0.00 174.62 175.55 2yre s MET 71 N 0.98 1.88 0.67 3.99 0.23 -0.70 -4.91 119.30 121.45 2yre s MET 71 Ca -0.08 -1.21 -0.17 0.00 -1.03 0.00 0.00 55.69 53.20 2yre s MET 71 Cb -0.11 0.53 -0.00 0.00 -1.53 0.00 0.00 34.83 33.71 2yre s MET 71 CO -0.03 -0.88 1.15 0.00 -2.03 0.00 0.00 175.02 173.23 2yre n ALA 72 N -0.60 0.54 -0.27 3.16 0.00 -1.26 -0.57 120.51 121.51 2yre n ALA 72 Ca -0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 2yre n ALA 72 Cb 0.60 -2.23 0.17 0.00 0.00 0.00 0.00 19.45 17.99 2yre n ALA 72 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2yre h ARG 73 N 0.20 1.12 0.00 0.00 9.65 0.06 0.12 114.38 125.52 2yre h ARG 73 Ca -0.49 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 2yre h ARG 73 Cb 1.34 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2yre h ARG 73 CO 0.50 0.78 0.00 0.27 2.80 0.00 0.00 179.97 184.32 2yre n ASN 74 N -4.38 0.00 -0.01 -3.80 6.94 -0.69 -3.01 115.26 110.31 2yre n ASN 74 Ca 0.09 -1.49 0.02 0.00 -0.02 0.00 0.00 54.58 53.18 2yre n ASN 74 Cb 0.06 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.42 2yre n ASN 74 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2yre n LYS 75 N -0.74 0.92 0.28 -3.83 4.76 -0.08 -4.54 118.16 114.93 2yre n LYS 75 Ca 0.11 -0.05 0.16 0.00 -2.87 0.00 0.00 58.31 55.66 2yre n LYS 75 Cb 0.05 -1.18 0.92 0.00 -1.84 0.00 0.00 35.03 32.99 2yre n LYS 75 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 2yre h VAL 76 N 0.00 0.46 -0.87 -0.18 -1.51 -1.18 -1.57 116.25 111.41 2yre h VAL 76 Ca -0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.41 2yre h VAL 76 Cb 0.63 0.96 -0.04 0.00 -2.13 0.00 0.00 31.29 30.70 2yre h VAL 76 CO 0.00 0.00 0.51 0.00 -1.23 0.00 0.00 177.57 176.85 2yre h ALA 77 N 1.94 1.27 -0.03 5.19 0.00 -1.80 0.25 119.26 126.08 2yre h ALA 77 Ca 0.02 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2yre h ALA 77 Cb 0.12 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.57 2yre h ALA 77 CO -0.00 0.62 -0.31 1.49 0.00 0.00 0.00 179.25 181.05 2yre h GLU 78 N 1.20 0.26 -0.26 0.00 4.57 -1.60 -3.29 114.58 115.47 2yre h GLU 78 Ca 0.31 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2yre h GLU 78 Cb -0.04 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2yre h GLU 78 CO -0.06 0.92 0.13 1.25 -1.18 0.00 0.00 179.01 180.08 2yre h HIS 79 N -0.31 0.36 -0.99 0.92 2.76 -1.36 -2.71 115.15 113.83 2yre h HIS 79 Ca -0.03 -0.01 0.33 0.00 -2.20 0.00 0.00 60.37 58.45 2yre h HIS 79 Cb 1.00 -0.11 -0.16 0.00 1.55 0.00 0.00 27.41 29.69 2yre h HIS 79 CO 0.15 0.33 0.50 -0.07 -1.30 0.00 0.00 177.93 177.54 2yre h LEU 80 N 0.30 0.38 -0.76 0.26 3.38 -0.60 0.92 115.31 119.20 2yre h LEU 80 Ca 0.09 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.29 2yre h LEU 80 Cb 0.09 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2yre h LEU 80 CO -0.01 -0.20 0.49 -0.33 0.09 0.00 0.00 178.44 178.48 2yre h GLU 81 N 0.24 0.95 -0.52 1.13 4.39 -1.55 -2.05 114.58 117.18 2yre h GLU 81 Ca 0.73 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.37 2yre h GLU 81 Cb 1.69 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 2yre h GLU 81 CO -0.65 0.63 0.00 0.00 -1.16 0.00 0.00 179.01 177.83 2yre n MET 82 N -4.59 4.17 -3.16 2.33 0.00 0.23 -4.94 117.12 111.16 2yre n MET 82 Ca 0.08 -3.00 -0.39 0.00 0.00 0.00 0.00 57.70 54.38 2yre n MET 82 Cb 0.05 -2.06 -0.06 0.00 0.00 0.00 0.00 33.22 31.15 2yre n MET 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2yre h PRO 84 N 5.03 0.21 -0.38 0.00 0.13 -1.89 -3.13 132.00 131.97 2yre h PRO 84 Ca -0.47 -0.11 0.09 0.00 -0.87 0.00 0.00 66.00 64.63 2yre h PRO 84 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2yre h PRO 84 CO 0.67 0.64 0.27 0.00 -0.23 0.00 0.00 178.00 179.35 2yre h ALA 85 N 0.57 2.19 0.00 -0.56 0.00 -1.94 0.91 119.26 120.42 2yre h ALA 85 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2yre h ALA 85 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2yre h ALA 85 CO 0.02 -0.28 0.00 0.77 0.00 0.00 0.00 179.25 179.76 2yre h SER 86 N 0.13 0.00 -5.95 0.00 0.02 -1.82 -3.45 113.55 102.48 2yre h SER 86 Ca 0.18 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.83 2yre h SER 86 Cb 0.54 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.97 2yre h SER 86 CO -0.02 0.00 -0.46 1.33 -1.14 0.00 0.00 176.83 176.53 2yre n VAL 87 N -2.51 -0.45 -3.93 2.27 0.24 0.31 -4.86 118.33 109.39 2yre n VAL 87 Ca -0.01 -0.23 -0.17 0.00 -2.04 0.00 0.00 64.34 61.89 2yre n VAL 87 Cb 0.08 -0.47 -0.16 0.00 -1.47 0.00 0.00 33.84 31.82 2yre n VAL 87 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2yre s SER 88 N -3.58 0.41 0.27 -1.34 0.01 -1.26 -5.10 113.70 103.10 2yre s SER 88 Ca 0.02 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2yre s SER 88 Cb -0.01 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2yre s SER 88 CO 0.48 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.64 2yre n GLY 89 N 4.12 -2.25 3.59 3.44 0.00 -1.26 -4.93 105.19 107.90 2yre n GLY 89 Ca -0.27 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 2yre n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yre s PRO 90 N -2.58 -1.29 -0.30 1.61 0.04 -1.26 -5.04 135.00 126.18 2yre s PRO 90 Ca 0.00 -0.09 0.01 0.00 0.04 0.00 0.00 61.00 60.97 2yre s PRO 90 Cb 0.00 -1.59 0.07 0.00 0.04 0.00 0.00 34.50 33.02 2yre s PRO 90 CO 0.00 -3.75 -0.02 -1.12 0.04 0.00 0.00 177.00 172.15 2yre s SER 91 N -3.91 4.72 -0.27 6.66 0.01 -1.26 -4.93 113.70 114.72 2yre s SER 91 Ca 0.71 -1.56 -0.36 0.00 1.31 0.00 0.00 55.95 56.05 2yre s SER 91 Cb -0.09 -1.64 -0.16 0.00 0.21 0.00 0.00 66.02 64.33 2yre s SER 91 CO 0.56 -0.28 1.15 -1.20 0.41 0.00 0.00 173.24 173.88 2yre n SER 92 N 4.47 0.64 -0.53 2.44 7.64 -1.26 -5.20 113.62 121.82 2yre n SER 92 Ca -0.09 0.95 0.14 0.00 1.01 0.00 0.00 58.87 60.88 2yre n SER 92 Cb 0.42 -0.72 0.48 0.00 -1.01 0.00 0.00 64.21 63.38 2yre n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64