#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 -0.88 0.17 1.61 0.01 -1.26 -5.17 113.70 108.18 2yre s SER -5 Ca 0.00 1.35 -0.23 0.00 1.31 0.00 0.00 55.95 58.38 2yre s SER -5 Cb 0.00 1.55 0.06 0.00 0.21 0.00 0.00 66.02 67.85 2yre s SER -5 CO 0.00 -0.21 0.61 -0.44 0.41 0.00 0.00 173.24 173.61 2yre s SER -4 N 1.88 -0.52 0.00 2.44 0.01 -1.26 -5.16 113.70 111.09 2yre s SER -4 Ca -0.09 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2yre s SER -4 Cb -0.06 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.78 2yre s SER -4 CO -0.19 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.06 2yre n GLY -3 N -0.38 2.52 3.06 3.44 0.00 -1.26 -5.17 105.19 107.39 2yre n GLY -3 Ca -0.15 0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 1.36 -0.29 1.61 1.04 -1.26 -5.13 113.70 111.03 2yre s SER -2 Ca 0.00 -0.21 -0.15 0.00 0.48 0.00 0.00 55.95 56.07 2yre s SER -2 Cb 0.00 -0.19 0.15 0.00 0.10 0.00 0.00 66.02 66.07 2yre s SER -2 CO 0.00 0.13 0.95 -0.55 0.98 0.00 0.00 173.24 174.75 2yre s SER -1 N -0.19 -0.59 0.33 7.02 0.15 -1.26 -5.18 113.70 113.98 2yre s SER -1 Ca 0.03 0.88 -0.08 0.00 0.70 0.00 0.00 55.95 57.48 2yre s SER -1 Cb -0.05 1.41 0.01 0.00 -1.71 0.00 0.00 66.02 65.68 2yre s SER -1 CO -0.00 -0.13 0.56 -0.83 1.20 0.00 0.00 173.24 174.03 2yre s GLY 0 N 1.78 0.97 -0.19 9.45 0.00 -1.26 -5.18 107.32 112.89 2yre s GLY 0 Ca -0.07 -1.16 -0.28 0.00 0.00 0.00 0.00 44.72 43.21 2yre s GLY 0 CO -0.16 -0.73 0.81 -3.16 0.00 0.00 0.00 173.10 169.86 2yre s MET 1 N -3.12 0.80 0.00 2.90 0.00 -1.26 -5.17 119.30 113.46 2yre s MET 1 Ca 0.25 0.57 0.00 0.00 0.00 0.00 0.00 55.69 56.50 2yre s MET 1 Cb -0.02 0.38 -0.00 0.00 0.00 0.00 0.00 34.83 35.19 2yre s MET 1 CO 0.15 -0.17 -0.01 -1.21 0.00 0.00 0.00 175.02 173.78 2yre s GLU 2 N -0.35 0.10 -0.13 3.16 2.02 -1.26 -5.14 118.70 117.10 2yre s GLU 2 Ca -0.03 -0.12 -0.03 0.00 0.02 0.00 0.00 54.97 54.80 2yre s GLU 2 Cb -0.03 -0.03 0.05 0.00 0.10 0.00 0.00 34.13 34.22 2yre s GLU 2 CO 0.02 0.00 0.05 -2.00 0.02 0.00 0.00 175.26 173.36 2yre s GLU 3 N -0.26 0.27 -0.17 1.61 2.56 -1.26 -5.13 118.70 116.32 2yre s GLU 3 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.97 54.89 2yre s GLU 3 Cb -0.02 -1.45 -0.02 0.00 2.00 0.00 0.00 34.13 34.64 2yre s GLU 3 CO -0.00 -0.52 -0.04 -2.00 -0.56 0.00 0.00 175.26 172.14 2yre s GLU 4 N 2.05 3.60 0.43 4.30 2.56 -1.26 -5.11 118.70 125.27 2yre s GLU 4 Ca 0.03 -0.55 0.07 0.00 0.00 0.00 0.00 54.97 54.52 2yre s GLU 4 Cb -0.15 -2.94 -0.02 0.00 2.00 0.00 0.00 34.13 33.02 2yre s GLU 4 CO -0.07 0.13 0.31 -0.51 -0.56 0.00 0.00 175.26 174.57 2yre s LEU 5 N 0.64 3.20 1.05 2.70 1.43 -1.26 -5.11 118.68 121.33 2yre s LEU 5 Ca -0.02 -0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 51.99 2yre s LEU 5 Cb -0.14 -1.71 0.09 0.00 0.03 0.00 0.00 46.19 44.45 2yre s LEU 5 CO 0.02 -0.68 0.27 0.00 0.23 0.00 0.00 176.35 176.20 2yre n GLN 6 N -1.47 -1.06 -4.75 1.70 6.02 -1.26 -5.00 117.38 111.57 2yre n GLN 6 Ca 0.01 -0.28 -0.32 0.00 -0.01 0.00 0.00 57.00 56.40 2yre n GLN 6 Cb 0.63 -1.81 -0.17 0.00 1.02 0.00 0.00 30.24 29.91 2yre n GLN 6 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2yre s HIS 7 N -2.33 2.55 0.41 1.08 3.76 -1.26 -5.00 115.29 114.50 2yre s HIS 7 Ca 0.57 -1.23 0.22 0.00 -0.15 0.00 0.00 55.06 54.47 2yre s HIS 7 Cb -0.17 -1.74 1.19 0.00 1.11 0.00 0.00 32.58 32.97 2yre s HIS 7 CO 0.66 -0.56 1.75 0.77 -0.85 0.00 0.00 174.74 176.52 2yre h SER 8 N 7.22 0.38 0.00 1.40 0.02 -1.71 0.37 113.55 121.23 2yre h SER 8 Ca -0.30 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2yre h SER 8 Cb 1.20 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2yre h SER 8 CO 0.53 0.03 -0.00 -0.74 -1.14 0.00 0.00 176.83 175.51 2yre h HIS 9 N 0.31 -0.00 -0.79 3.45 -0.00 -1.51 -3.31 115.15 113.29 2yre h HIS 9 Ca 0.63 -0.00 0.15 0.00 -0.00 0.00 0.00 60.37 61.14 2yre h HIS 9 Cb 1.73 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 29.00 2yre h HIS 9 CO -0.00 -0.00 -0.29 0.00 -0.00 0.00 0.00 177.93 177.64 2yre h VAL 11 N -0.05 0.24 -0.70 0.00 -1.51 -0.44 0.61 116.25 114.39 2yre h VAL 11 Ca 0.34 -0.05 -0.50 0.00 -1.23 0.00 0.00 66.70 65.26 2yre h VAL 11 Cb 0.59 0.07 -0.34 0.00 -2.13 0.00 0.00 31.29 29.48 2yre h VAL 11 CO -0.83 0.03 -0.44 0.59 -1.23 0.00 0.00 177.57 175.68 2yre n ASN 12 N -4.59 4.93 -3.85 4.19 3.02 0.23 -4.92 115.26 114.27 2yre n ASN 12 Ca 0.34 -3.77 -0.30 0.00 -0.03 0.00 0.00 54.58 50.81 2yre n ASN 12 Cb 1.32 -0.49 -0.15 0.00 -0.61 0.00 0.00 39.78 39.85 2yre n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yre n VAL 14 N 4.25 3.21 -4.04 0.00 0.24 -1.26 -4.91 118.33 115.82 2yre n VAL 14 Ca 0.03 -2.01 -0.31 0.00 -2.04 0.00 0.00 64.34 60.01 2yre n VAL 14 Cb 0.40 -0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 32.12 2yre n VAL 14 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2yre s SER 15 N -1.31 5.66 -0.13 -1.34 0.15 -1.26 -5.05 113.70 110.42 2yre s SER 15 Ca 0.57 0.05 -0.08 0.00 0.70 0.00 0.00 55.95 57.18 2yre s SER 15 Cb 0.47 -1.56 -0.03 0.00 -1.71 0.00 0.00 66.02 63.19 2yre s SER 15 CO 0.09 0.18 -0.15 0.03 1.20 0.00 0.00 173.24 174.59 2yre h ARG 16 N 3.37 0.00 -1.90 5.44 3.08 -1.93 -3.38 114.38 119.05 2yre h ARG 16 Ca -0.47 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.52 2yre h ARG 16 Cb 1.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 2yre h ARG 16 CO 0.67 0.00 0.08 0.54 -1.07 0.00 0.00 179.97 180.19 2yre n ARG 17 N -4.41 1.17 -1.69 0.04 5.12 -1.26 -4.59 116.66 111.04 2yre n ARG 17 Ca -0.06 -0.32 -0.42 0.00 -1.93 0.00 0.00 57.85 55.11 2yre n ARG 17 Cb 0.23 -1.13 -0.03 0.00 -1.16 0.00 0.00 32.46 30.37 2yre n ARG 17 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2yre n MET 19 N 6.48 3.31 -3.33 0.00 2.81 -1.26 -4.91 117.12 120.21 2yre n MET 19 Ca 0.19 -4.21 -0.38 0.00 -1.81 0.00 0.00 57.70 51.49 2yre n MET 19 Cb 0.39 -2.26 -0.06 0.00 -0.71 0.00 0.00 33.22 30.58 2yre n MET 19 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2yre s THR 20 N -5.25 5.11 -0.21 2.03 2.01 -1.26 -5.00 115.64 113.07 2yre s THR 20 Ca 0.50 0.98 -0.37 0.00 0.31 0.00 0.00 61.69 63.11 2yre s THR 20 Cb 0.41 -3.81 -0.14 0.00 0.01 0.00 0.00 72.50 68.97 2yre s THR 20 CO -0.18 0.39 1.85 -1.14 -0.69 0.00 0.00 174.62 174.85 2yre n ARG 21 N 3.14 1.59 -2.07 4.92 0.63 -1.26 -4.85 116.66 118.76 2yre n ARG 21 Ca -0.08 0.57 -0.41 0.00 -0.92 0.00 0.00 57.85 57.01 2yre n ARG 21 Cb 0.52 -2.37 -0.03 0.00 0.45 0.00 0.00 32.46 31.03 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 4.03 3.12 0.44 -0.14 0.04 -1.26 -4.56 135.00 136.67 2yre s PRO 22 Ca 0.97 1.06 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2yre s PRO 22 Cb -0.89 -4.24 -0.01 0.00 0.04 0.00 0.00 34.50 29.40 2yre s PRO 22 CO 0.59 -2.12 0.66 -1.21 0.04 0.00 0.00 177.00 174.96 2yre s GLU 23 N 6.03 3.12 0.00 4.56 0.41 0.58 -4.85 118.70 128.55 2yre s GLU 23 Ca 0.72 -0.45 0.07 0.00 -0.41 0.00 0.00 54.97 54.90 2yre s GLU 23 Cb -0.18 -2.56 0.41 0.00 -1.78 0.00 0.00 34.13 30.02 2yre s GLU 23 CO 0.29 -0.23 0.86 -0.35 -0.49 0.00 0.00 175.26 175.34 2yre n PRO 24 N -2.06 0.49 0.10 0.39 -0.04 -1.26 -4.11 135.00 128.51 2yre n PRO 24 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2yre n PRO 24 Cb 0.57 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.02 -1.16 0.01 0.55 0.00 -1.26 -5.01 105.19 98.30 2yre n GLY 25 Ca 0.05 0.21 -0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.04 -0.61 5.03 -1.96 -3.37 117.51 113.55 2yre h ILE 26 Ca 0.00 0.00 -0.43 0.00 -0.12 0.00 0.00 64.86 64.31 2yre h ILE 26 Cb 0.00 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 33.64 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 -2.51 2.40 0.33 1.72 0.15 -1.26 -1.36 113.70 113.18 2yre s SER 27 Ca -0.00 -0.99 0.06 0.00 0.70 0.00 0.00 55.95 55.71 2yre s SER 27 Cb 0.00 -0.11 -0.07 0.00 -1.71 0.00 0.00 66.02 64.14 2yre s SER 27 CO 0.01 -0.19 -0.00 0.00 1.20 0.00 0.00 173.24 174.26 2yre s ASP 29 N -3.53 4.80 0.19 0.00 1.01 -1.26 -4.66 116.67 113.22 2yre s ASP 29 Ca 0.34 2.52 -0.05 0.00 0.71 0.00 0.00 52.55 56.06 2yre s ASP 29 Cb 0.07 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 2yre s ASP 29 CO 0.15 -1.86 0.44 -0.76 0.21 0.00 0.00 175.17 173.34 2yre s LEU 30 N -4.30 4.20 -0.01 1.23 1.43 -1.26 -3.38 118.68 116.59 2yre s LEU 30 Ca 0.80 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 54.52 2yre s LEU 30 Cb -0.34 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.50 2yre s LEU 30 CO 0.37 -0.03 0.03 0.27 0.23 0.00 0.00 176.35 177.22 2yre s ILE 31 N -1.80 -0.01 0.76 -0.59 -5.25 -0.92 -4.85 121.20 108.54 2yre s ILE 31 Ca 0.42 0.03 -0.11 0.00 -0.99 0.00 0.00 60.65 60.00 2yre s ILE 31 Cb -0.11 -0.05 0.05 0.00 2.95 0.00 0.00 42.46 45.30 2yre s ILE 31 CO 0.26 0.01 1.10 -0.83 -1.79 0.00 0.00 174.94 173.69 2yre s GLY 32 N 0.18 1.75 0.28 6.27 0.00 -1.26 -3.16 107.32 111.39 2yre s GLY 32 Ca -0.01 0.33 -0.29 0.00 0.00 0.00 0.00 44.72 44.75 2yre s GLY 32 CO -0.01 0.69 1.38 0.00 0.00 0.00 0.00 173.10 175.17 2yre h PRO 34 N 4.39 0.00 -0.59 0.00 0.13 -1.93 -2.67 132.00 131.33 2yre h PRO 34 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2yre h PRO 34 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2yre h PRO 34 CO 0.73 0.46 0.00 1.28 -0.23 0.00 0.00 178.00 180.24 2yre n LEU 35 N -3.90 2.97 -3.96 1.56 4.77 -1.26 -4.90 117.00 112.27 2yre n LEU 35 Ca -0.01 -1.50 -0.31 0.00 -0.03 0.00 0.00 56.01 54.15 2yre n LEU 35 Cb 0.49 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2yre n LEU 35 CO 0.40 0.52 -0.10 1.33 -1.33 0.00 0.00 177.39 178.21 2yre n VAL 36 N 0.55 -0.26 0.24 4.08 0.24 -1.01 -4.76 118.33 117.42 2yre n VAL 36 Ca 0.15 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.56 2yre n VAL 36 Cb 0.57 -0.73 0.62 0.00 -1.47 0.00 0.00 33.84 32.83 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 -0.42 0.73 3.57 0.00 0.00 -1.26 -5.05 105.19 102.76 2yre n GLY 38 Ca -0.01 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.32 -1.81 -0.20 4.61 0.00 -1.26 -5.09 121.76 116.68 2yre s ALA 39 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2yre s ALA 39 Cb 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.62 2yre s ALA 39 CO 0.00 -0.34 -0.15 0.08 0.00 0.00 0.00 175.76 175.35 2yre s VAL 40 N -0.65 2.36 0.18 0.00 1.01 -1.26 -2.43 120.40 119.62 2yre s VAL 40 Ca -0.06 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2yre s VAL 40 Cb -0.02 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 2yre s VAL 40 CO 0.05 0.43 -0.05 0.72 0.00 0.00 0.00 175.10 176.25 2yre s PHE 41 N 1.30 1.38 0.15 5.22 -0.71 -1.19 -4.24 117.98 119.90 2yre s PHE 41 Ca 0.03 -0.86 -0.31 0.00 -1.04 0.00 0.00 56.93 54.76 2yre s PHE 41 Cb -0.14 -0.76 -0.09 0.00 -1.21 0.00 0.00 43.02 40.83 2yre s PHE 41 CO -0.10 -0.00 1.40 -1.01 -1.34 0.00 0.00 175.22 174.17 2yre s HIS 42 N -3.40 3.20 0.36 3.49 3.76 -1.26 -2.16 115.29 119.28 2yre s HIS 42 Ca 0.22 0.97 0.24 0.00 -0.15 0.00 0.00 55.06 56.34 2yre s HIS 42 Cb 0.04 -3.71 1.27 0.00 1.11 0.00 0.00 32.58 31.29 2yre s HIS 42 CO 0.04 -2.45 1.39 -1.13 -0.85 0.00 0.00 174.74 171.75 2yre n SER 43 N 3.55 0.24 -0.12 1.40 3.41 -1.22 0.23 113.62 121.12 2yre n SER 43 Ca 0.10 1.34 -0.12 0.00 -0.26 0.00 0.00 58.87 59.93 2yre n SER 43 Cb 0.42 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 2yre n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yre h LYS 45 N 0.51 0.00 -0.36 0.00 1.79 0.26 -3.31 116.57 115.45 2yre h LYS 45 Ca 0.08 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.58 2yre h LYS 45 Cb 0.72 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.32 2yre h LYS 45 CO 0.05 0.41 -0.22 0.00 -1.08 0.00 0.00 179.45 178.62 2yre n ALA 46 N -2.41 -0.23 -0.26 3.86 0.00 0.16 0.33 120.51 121.96 2yre n ALA 46 Ca -0.01 0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.76 2yre n ALA 46 Cb 0.46 0.15 0.08 0.00 0.00 0.00 0.00 19.45 20.15 2yre n ALA 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2yre n ASP 47 N -3.81 -0.31 -0.05 0.00 2.03 -1.25 0.26 116.55 113.42 2yre n ASP 47 Ca 0.01 1.22 -0.09 0.00 0.52 0.00 0.00 54.79 56.44 2yre n ASP 47 Cb 0.09 -0.34 0.06 0.00 -0.72 0.00 0.00 41.12 40.21 2yre n ASP 47 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2yre h GLU 48 N 0.00 0.71 -0.95 -0.67 5.08 -0.35 -3.03 114.58 115.38 2yre h GLU 48 Ca 0.31 -0.36 0.15 0.00 -1.00 0.00 0.00 59.36 58.47 2yre h GLU 48 Cb 0.49 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 2yre h GLU 48 CO -0.72 0.97 0.60 1.25 -1.00 0.00 0.00 179.01 180.11 2yre h HIS 49 N 0.59 0.93 0.00 4.33 2.76 0.57 0.28 115.15 124.62 2yre h HIS 49 Ca 0.05 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2yre h HIS 49 Cb 0.91 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2yre h HIS 49 CO 0.05 0.31 0.14 0.54 -1.30 0.00 0.00 177.93 177.67 2yre n ARG 50 N -4.61 0.08 0.08 5.26 3.00 -0.50 0.53 116.66 120.49 2yre n ARG 50 Ca 0.19 0.54 0.09 0.00 -0.01 0.00 0.00 57.85 58.67 2yre n ARG 50 Cb 0.48 -1.91 -0.03 0.00 0.00 0.00 0.00 32.46 31.01 2yre n ARG 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2yre n LEU 51 N -1.93 0.78 -0.12 0.55 4.77 1.00 -4.43 117.00 117.61 2yre n LEU 51 Ca -0.01 0.31 -0.23 0.00 -0.03 0.00 0.00 56.01 56.05 2yre n LEU 51 Cb 0.16 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 2yre n LEU 51 CO 0.05 -0.11 -1.32 0.18 -1.33 0.00 0.00 177.39 174.87 2yre n LEU 52 N -2.68 2.08 -2.92 2.23 7.99 0.19 -4.98 117.00 118.91 2yre n LEU 52 Ca -0.02 0.18 -0.42 0.00 -0.01 0.00 0.00 56.01 55.74 2yre n LEU 52 Cb 0.61 -0.74 -0.06 0.00 -0.11 0.00 0.00 43.42 43.11 2yre n LEU 52 CO 0.41 0.62 0.76 0.00 -1.51 0.00 0.00 177.39 177.67 2yre n PRO 54 N 2.78 0.10 0.01 0.00 -0.04 -1.26 -2.80 135.00 133.79 2yre n PRO 54 Ca 0.21 0.21 -0.22 0.00 -0.04 0.00 0.00 63.50 63.66 2yre n PRO 54 Cb -0.04 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.79 2yre n PRO 54 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2yre h PHE 55 N 0.00 0.48 -0.67 0.54 -1.00 -1.91 0.15 116.94 114.53 2yre h PHE 55 Ca 0.00 -0.35 -0.46 0.00 2.81 0.00 0.00 57.97 59.97 2yre h PHE 55 Cb 0.19 -0.02 0.07 0.00 3.61 0.00 0.00 35.95 39.80 2yre h PHE 55 CO 0.00 1.69 -0.30 -1.91 -1.61 0.00 0.00 178.31 176.18 2yre n GLU 56 N -3.69 0.00 -1.82 1.51 0.00 -1.12 -3.90 120.64 111.62 2yre n GLU 56 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.46 2yre n GLU 56 Cb 0.99 -0.72 -0.03 0.00 0.00 0.00 0.00 31.44 31.68 2yre n GLU 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2yre s ARG 57 N -0.58 2.87 0.03 5.31 3.52 -1.26 -3.32 118.95 125.52 2yre s ARG 57 Ca 0.46 1.40 0.08 0.00 -0.13 0.00 0.00 55.73 57.53 2yre s ARG 57 Cb -0.66 -4.36 -0.03 0.00 -1.56 0.00 0.00 34.95 28.34 2yre s ARG 57 CO 0.38 -2.41 -0.22 0.14 -0.81 0.00 0.00 175.30 172.38 2yre s VAL 58 N 8.84 2.49 0.45 7.11 -7.23 -0.15 -4.89 120.40 127.03 2yre s VAL 58 Ca 0.86 -1.22 -0.23 0.00 -1.81 0.00 0.00 61.98 59.58 2yre s VAL 58 Cb -0.22 -2.00 -0.07 0.00 0.56 0.00 0.00 36.38 34.65 2yre s VAL 58 CO 0.30 0.39 1.17 -2.16 -0.31 0.00 0.00 175.10 174.49 2yre s PRO 59 N -1.22 3.79 0.12 4.82 0.04 -1.26 -1.50 135.00 139.79 2yre s PRO 59 Ca 0.13 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.72 2yre s PRO 59 Cb -0.10 -2.44 -0.14 0.00 0.04 0.00 0.00 34.50 31.86 2yre s PRO 59 CO 0.03 -0.53 0.49 0.00 0.04 0.00 0.00 177.00 177.03 2yre h LEU 61 N 1.10 0.46 -3.72 0.00 3.38 -1.93 0.21 115.31 114.80 2yre h LEU 61 Ca -0.26 0.08 -0.46 0.00 0.09 0.00 0.00 57.88 57.33 2yre h LEU 61 Cb 1.12 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.68 2yre h LEU 61 CO 0.46 0.11 0.59 0.59 0.09 0.00 0.00 178.44 180.27 2yre n ASN 62 N -4.61 6.92 -0.29 -0.43 3.02 -1.26 -4.63 115.26 113.98 2yre n ASN 62 Ca 0.24 -3.33 0.08 0.00 -0.03 0.00 0.00 54.58 51.54 2yre n ASN 62 Cb 0.84 -1.04 0.24 0.00 -0.61 0.00 0.00 39.78 39.21 2yre n ASN 62 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2yre h SER 63 N 1.74 0.45 -0.94 6.41 4.64 -0.87 -1.73 113.55 123.26 2yre h SER 63 Ca 0.41 0.11 0.16 0.00 -0.47 0.00 0.00 61.79 62.00 2yre h SER 63 Cb 0.85 0.05 -0.16 0.00 -0.31 0.00 0.00 62.40 62.83 2yre h SER 63 CO 1.07 0.15 -0.33 0.44 -0.87 0.00 0.00 176.83 177.29 2yre h ASP 64 N 0.55 -1.22 -0.86 4.97 5.19 -1.85 0.69 116.42 123.88 2yre h ASP 64 Ca 0.48 0.29 0.17 0.00 -0.62 0.00 0.00 57.03 57.35 2yre h ASP 64 Cb 0.75 0.68 -0.10 0.00 0.18 0.00 0.00 39.33 40.84 2yre h ASP 64 CO -0.41 -0.30 0.42 -0.26 -3.12 0.00 0.00 179.24 175.57 2yre h PHE 65 N -0.02 0.73 0.00 4.55 -1.00 -1.70 -3.45 116.94 116.05 2yre h PHE 65 Ca 0.38 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.19 2yre h PHE 65 Cb 0.63 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.00 2yre h PHE 65 CO -0.80 0.12 0.00 0.41 -1.61 0.00 0.00 178.31 176.42 2yre n GLY 66 N -1.33 0.99 3.54 -1.45 0.00 0.24 -5.10 105.19 102.07 2yre n GLY 66 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 6.72 0.49 -2.82 0.00 -0.04 -1.26 -4.51 135.00 133.57 2yre n PRO 68 Ca 0.02 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.09 2yre n PRO 68 Cb 0.48 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 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 -2.00 3.87 -0.05 0.54 0.08 -1.26 -5.02 117.98 114.14 2yre s PHE 69 Ca 0.18 1.80 -0.02 0.00 0.12 0.00 0.00 56.93 59.01 2yre s PHE 69 Cb 0.08 -2.90 0.03 0.00 -0.57 0.00 0.00 43.02 39.66 2yre s PHE 69 CO 0.14 0.39 0.10 0.95 -0.10 0.00 0.00 175.22 176.70 2yre s THR 70 N -1.32 -0.05 0.35 0.64 -4.23 -1.26 -2.17 115.64 107.60 2yre s THR 70 Ca 0.43 0.19 -0.16 0.00 -1.18 0.00 0.00 61.69 60.97 2yre s THR 70 Cb -0.23 -0.17 0.04 0.00 1.34 0.00 0.00 72.50 73.47 2yre s THR 70 CO 0.28 0.08 0.72 0.00 -0.54 0.00 0.00 174.62 175.16 2yre s MET 71 N 1.08 2.05 0.22 3.99 0.23 -0.56 -4.90 119.30 121.41 2yre s MET 71 Ca -0.09 -1.35 -0.32 0.00 -1.03 0.00 0.00 55.69 52.91 2yre s MET 71 Cb -0.12 0.60 -0.12 0.00 -1.53 0.00 0.00 34.83 33.66 2yre s MET 71 CO -0.05 -0.94 1.66 0.00 -2.03 0.00 0.00 175.02 173.66 2yre n ALA 72 N -0.51 2.46 -0.02 3.16 0.00 -1.25 -0.98 120.51 123.38 2yre n ALA 72 Ca -0.06 0.40 0.21 0.00 0.00 0.00 0.00 53.44 53.99 2yre n ALA 72 Cb 0.60 -2.47 0.46 0.00 0.00 0.00 0.00 19.45 18.04 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 6.11 0.00 0.13 0.00 2.43 -0.86 1.18 114.38 123.36 2yre h ARG 73 Ca -0.44 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.39 2yre h ARG 73 Cb 1.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2yre h ARG 73 CO 0.90 0.00 -1.79 -0.97 -1.51 0.00 0.00 179.97 176.60 2yre h ASN 74 N 0.00 0.42 -0.31 -3.80 -1.24 -1.14 -3.33 115.58 106.18 2yre h ASN 74 Ca 0.31 -0.75 -0.12 0.00 0.71 0.00 0.00 56.30 56.46 2yre h ASN 74 Cb 2.22 -0.14 -0.07 0.00 0.73 0.00 0.00 38.32 41.06 2yre h ASN 74 CO -0.00 1.65 0.15 0.29 -1.29 0.00 0.00 177.43 178.23 2yre n LYS 75 N -3.45 1.82 0.07 6.67 4.01 0.40 -4.00 118.16 123.68 2yre n LYS 75 Ca -0.25 -1.12 -0.18 0.00 -0.51 0.00 0.00 58.31 56.25 2yre n LYS 75 Cb 1.06 -1.56 -0.14 0.00 -0.51 0.00 0.00 35.03 33.87 2yre n LYS 75 CO 0.00 0.00 0.00 -0.39 -1.11 0.00 0.00 177.40 175.90 2yre h VAL 76 N 0.77 1.15 0.20 -0.18 -1.51 -1.48 -3.37 116.25 111.83 2yre h VAL 76 Ca 0.15 -2.75 0.01 0.00 -1.23 0.00 0.00 66.70 62.87 2yre h VAL 76 Cb 1.45 2.79 -0.03 0.00 -2.13 0.00 0.00 31.29 33.37 2yre h VAL 76 CO 0.32 0.83 -0.31 0.00 -1.23 0.00 0.00 177.57 177.18 2yre h ALA 77 N 0.41 -0.59 -0.88 5.19 0.00 -1.85 0.39 119.26 121.92 2yre h ALA 77 Ca -0.26 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 54.84 2yre h ALA 77 Cb 2.04 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 20.28 2yre h ALA 77 CO 0.18 -0.88 0.86 0.93 0.00 0.00 0.00 179.25 180.34 2yre h GLU 78 N -0.59 0.00 0.08 0.00 5.08 -1.86 0.32 114.58 117.62 2yre h GLU 78 Ca 0.01 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.01 2yre h GLU 78 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2yre h GLU 78 CO -0.13 0.00 -2.09 1.58 -1.00 0.00 0.00 179.01 177.37 2yre n HIS 79 N -3.65 0.93 -0.21 4.33 -0.00 -0.33 -4.19 115.22 112.10 2yre n HIS 79 Ca 0.19 0.21 0.02 0.00 0.46 0.00 0.00 57.72 58.59 2yre n HIS 79 Cb 1.15 -1.13 0.13 0.00 -0.12 0.00 0.00 29.99 30.02 2yre n HIS 79 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2yre h LEU 80 N 0.05 0.07 -1.05 0.27 3.38 0.36 1.53 115.31 119.92 2yre h LEU 80 Ca -0.45 0.11 0.09 0.00 0.09 0.00 0.00 57.88 57.72 2yre h LEU 80 Cb 2.01 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 42.82 2yre h LEU 80 CO 0.05 0.03 0.63 1.05 0.09 0.00 0.00 178.44 180.29 2yre h GLU 81 N 0.31 1.03 -0.42 1.13 4.11 -1.55 -0.99 114.58 118.19 2yre h GLU 81 Ca 0.34 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.71 2yre h GLU 81 Cb 0.50 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2yre h GLU 81 CO -0.40 0.68 0.00 0.00 0.07 0.00 0.00 179.01 179.36 2yre n MET 82 N -4.54 3.64 -3.12 1.06 0.00 -0.03 -4.94 117.12 109.18 2yre n MET 82 Ca 0.16 -2.88 -0.39 0.00 0.00 0.00 0.00 57.70 54.59 2yre n MET 82 Cb 0.26 -1.93 -0.06 0.00 0.00 0.00 0.00 33.22 31.49 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 4.71 0.89 -0.53 0.00 0.13 -1.87 -3.08 132.00 132.25 2yre h PRO 84 Ca -0.47 -0.46 0.05 0.00 -0.87 0.00 0.00 66.00 64.24 2yre h PRO 84 Cb 1.21 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2yre h PRO 84 CO 0.66 1.11 0.35 0.00 -0.23 0.00 0.00 178.00 179.89 2yre h ALA 85 N 0.83 1.84 0.00 -0.56 0.00 -1.93 0.06 119.26 119.50 2yre h ALA 85 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2yre h ALA 85 Cb 0.97 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2yre h ALA 85 CO 0.09 0.08 0.00 0.66 0.00 0.00 0.00 179.25 180.08 2yre h SER 86 N 0.52 0.00 -6.51 0.00 4.64 -1.81 -3.45 113.55 106.94 2yre h SER 86 Ca 0.22 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.05 2yre h SER 86 Cb 0.23 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.08 2yre h SER 86 CO -0.06 0.00 -0.75 1.33 -0.87 0.00 0.00 176.83 176.48 2yre n VAL 87 N -2.95 -0.39 -4.54 0.95 0.24 0.01 -4.89 118.33 106.77 2yre n VAL 87 Ca -0.03 -0.20 -0.32 0.00 -2.04 0.00 0.00 64.34 61.75 2yre n VAL 87 Cb 0.07 -0.59 -0.11 0.00 -1.47 0.00 0.00 33.84 31.73 2yre n VAL 87 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2yre s SER 88 N -3.44 4.51 0.01 -1.34 0.15 -1.26 -5.09 113.70 107.23 2yre s SER 88 Ca 0.34 -0.15 -0.30 0.00 0.70 0.00 0.00 55.95 56.53 2yre s SER 88 Cb -0.20 -1.03 -0.05 0.00 -1.71 0.00 0.00 66.02 63.03 2yre s SER 88 CO 0.81 0.30 1.30 -0.83 1.20 0.00 0.00 173.24 176.01 2yre s GLY 89 N -1.27 2.06 1.23 9.45 0.00 -1.26 -5.02 107.32 112.51 2yre s GLY 89 Ca 0.16 0.82 -0.20 0.00 0.00 0.00 0.00 44.72 45.49 2yre s GLY 89 CO 0.06 2.31 1.11 2.56 0.00 0.00 0.00 173.10 179.14 2yre s PRO 90 N 1.95 -1.48 -0.20 2.90 0.04 -1.26 -5.03 135.00 131.91 2yre s PRO 90 Ca 0.60 -0.16 -0.08 0.00 0.04 0.00 0.00 61.00 61.41 2yre s PRO 90 Cb -0.29 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2yre s PRO 90 CO 0.26 -3.86 0.07 -1.12 0.04 0.00 0.00 177.00 172.39 2yre s SER 91 N -3.96 5.58 -1.41 6.66 0.01 -1.26 -4.44 113.70 114.87 2yre s SER 91 Ca 0.72 0.02 -0.09 0.00 1.31 0.00 0.00 55.95 57.91 2yre s SER 91 Cb -0.08 -1.97 0.04 0.00 0.21 0.00 0.00 66.02 64.21 2yre s SER 91 CO 0.56 0.12 1.05 -1.20 0.41 0.00 0.00 173.24 174.18 2yre n SER 92 N 3.91 -4.93 0.00 2.44 7.64 -1.26 -5.30 113.62 116.11 2yre n SER 92 Ca -0.16 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.05 2yre n SER 92 Cb 0.52 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 2yre n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64