#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 -0.10 0.02 1.61 1.04 -1.26 -5.19 113.70 109.82 2yre s SER -5 Ca 0.00 -0.16 -0.28 0.00 0.48 0.00 0.00 55.95 55.98 2yre s SER -5 Cb 0.00 0.23 0.10 0.00 0.10 0.00 0.00 66.02 66.44 2yre s SER -5 CO 0.00 -0.41 0.98 -0.55 0.98 0.00 0.00 173.24 174.24 2yre s SER -4 N -2.85 -0.26 -0.30 7.02 0.15 -1.26 -5.18 113.70 111.02 2yre s SER -4 Ca 0.13 -0.14 -0.22 0.00 0.70 0.00 0.00 55.95 56.42 2yre s SER -4 Cb 0.03 0.37 0.19 0.00 -1.71 0.00 0.00 66.02 64.90 2yre s SER -4 CO -0.03 -0.64 1.33 -0.83 1.20 0.00 0.00 173.24 174.27 2yre s GLY -3 N -2.63 0.37 0.23 9.45 0.00 -1.26 -5.19 107.32 108.29 2yre s GLY -3 Ca 0.08 3.52 -0.14 0.00 0.00 0.00 0.00 44.72 48.18 2yre s GLY -3 CO -0.05 2.18 0.48 -0.56 0.00 0.00 0.00 173.10 175.16 2yre s SER -2 N 0.38 -0.12 -0.06 1.64 0.01 -1.26 -5.18 113.70 109.10 2yre s SER -2 Ca 0.02 -0.81 -0.31 0.00 1.31 0.00 0.00 55.95 56.16 2yre s SER -2 Cb -0.04 0.58 0.11 0.00 0.21 0.00 0.00 66.02 66.88 2yre s SER -2 CO -0.13 -1.11 1.01 -0.55 0.41 0.00 0.00 173.24 172.87 2yre s SER -1 N -2.98 -0.28 -0.39 2.44 0.15 -1.26 -5.14 113.70 106.25 2yre s SER -1 Ca 0.18 -0.01 -0.00 0.00 0.70 0.00 0.00 55.95 56.82 2yre s SER -1 Cb -0.01 0.30 0.19 0.00 -1.71 0.00 0.00 66.02 64.80 2yre s SER -1 CO 0.05 -0.49 0.86 -0.83 1.20 0.00 0.00 173.24 174.04 2yre s GLY 0 N -2.40 -1.47 -0.12 9.45 0.00 -1.26 -5.13 107.32 106.39 2yre s GLY 0 Ca 0.07 0.48 -0.01 0.00 0.00 0.00 0.00 44.72 45.25 2yre s GLY 0 CO -0.07 3.98 -0.02 1.06 0.00 0.00 0.00 173.10 178.05 2yre s MET 1 N 1.52 0.93 0.01 2.90 1.00 -1.26 -5.13 119.30 119.27 2yre s MET 1 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 55.69 55.72 2yre s MET 1 Cb 0.02 -1.50 -0.01 0.00 0.00 0.00 0.00 34.83 33.35 2yre s MET 1 CO -0.10 -0.39 -0.02 -1.83 0.00 0.00 0.00 175.02 172.69 2yre s GLU 2 N 1.84 0.18 0.03 2.03 4.04 -1.26 -5.16 118.70 120.41 2yre s GLU 2 Ca 0.03 -0.21 0.06 0.00 0.04 0.00 0.00 54.97 54.89 2yre s GLU 2 Cb -0.14 -0.08 -0.03 0.00 0.02 0.00 0.00 34.13 33.90 2yre s GLU 2 CO -0.07 0.02 -0.14 -1.83 -1.84 0.00 0.00 175.26 171.40 2yre s GLU 3 N -0.42 2.22 0.28 -4.83 -1.05 -1.26 -5.10 118.70 108.54 2yre s GLU 3 Ca -0.03 -0.91 -0.29 0.00 -0.15 0.00 0.00 54.97 53.59 2yre s GLU 3 Cb -0.03 -2.29 -0.10 0.00 -0.44 0.00 0.00 34.13 31.27 2yre s GLU 3 CO -0.00 0.56 1.23 -2.00 0.95 0.00 0.00 175.26 176.00 2yre s GLU 4 N -1.49 4.46 0.41 -4.83 2.56 -1.26 -5.04 118.70 113.51 2yre s GLU 4 Ca 0.16 2.03 0.06 0.00 0.00 0.00 0.00 54.97 57.22 2yre s GLU 4 Cb -0.11 -3.15 -0.07 0.00 2.00 0.00 0.00 34.13 32.81 2yre s GLU 4 CO 0.07 -0.07 0.02 -0.51 -0.56 0.00 0.00 175.26 174.20 2yre s LEU 5 N -1.22 2.71 1.21 2.70 1.43 -1.26 -5.14 118.68 119.11 2yre s LEU 5 Ca 0.49 -1.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.03 2yre s LEU 5 Cb -0.36 -0.80 0.29 0.00 0.03 0.00 0.00 46.19 45.35 2yre s LEU 5 CO 0.45 -0.52 1.02 0.00 0.23 0.00 0.00 176.35 177.53 2yre s GLN 6 N -3.75 -1.27 -0.17 1.70 -2.07 -1.26 -5.03 119.66 107.80 2yre s GLN 6 Ca 0.32 0.46 0.01 0.00 -1.82 0.00 0.00 55.36 54.33 2yre s GLN 6 Cb 0.09 -1.54 0.02 0.00 -1.09 0.00 0.00 33.01 30.49 2yre s GLN 6 CO 0.16 -3.86 -0.17 -1.01 -1.32 0.00 0.00 175.29 169.09 2yre s HIS 7 N -2.59 2.59 0.45 9.60 3.76 -1.26 -4.99 115.29 122.84 2yre s HIS 7 Ca 0.68 -1.53 0.29 0.00 -0.15 0.00 0.00 55.06 54.35 2yre s HIS 7 Cb -0.19 -1.81 1.37 0.00 1.11 0.00 0.00 32.58 33.07 2yre s HIS 7 CO 0.61 -0.77 1.68 1.03 -0.85 0.00 0.00 174.74 176.44 2yre h SER 8 N 7.97 0.25 0.00 1.40 0.87 -1.66 0.25 113.55 122.64 2yre h SER 8 Ca -0.42 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2yre h SER 8 Cb 1.13 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2yre h SER 8 CO 0.59 -0.07 -0.00 -0.74 -0.53 0.00 0.00 176.83 176.08 2yre h HIS 9 N 0.16 -0.00 -0.84 2.24 -0.00 -1.28 -3.31 115.15 112.11 2yre h HIS 9 Ca 0.73 -0.00 0.14 0.00 -0.00 0.00 0.00 60.37 61.24 2yre h HIS 9 Cb 2.33 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 29.59 2yre h HIS 9 CO -0.00 -0.00 -0.36 0.00 -0.00 0.00 0.00 177.93 177.56 2yre h VAL 11 N -0.06 0.12 -0.85 0.00 -1.51 -0.70 0.89 116.25 114.13 2yre h VAL 11 Ca 0.31 -0.04 -0.60 0.00 -1.23 0.00 0.00 66.70 65.14 2yre h VAL 11 Cb 0.58 0.00 -0.37 0.00 -2.13 0.00 0.00 31.29 29.37 2yre h VAL 11 CO -0.87 0.02 -0.11 0.59 -1.23 0.00 0.00 177.57 175.97 2yre n ASN 12 N -4.95 6.04 -3.83 4.19 5.03 0.21 -4.94 115.26 117.00 2yre n ASN 12 Ca 0.36 -3.77 -0.25 0.00 0.87 0.00 0.00 54.58 51.79 2yre n ASN 12 Cb 1.30 -0.61 -0.17 0.00 -1.02 0.00 0.00 39.78 39.28 2yre n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2yre n VAL 14 N 5.03 0.00 -2.24 0.00 0.24 -1.26 -4.91 118.33 115.19 2yre n VAL 14 Ca -0.10 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.36 2yre n VAL 14 Cb 0.49 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.84 2yre n VAL 14 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2yre s SER 15 N -1.29 6.85 0.10 -1.34 0.01 -1.26 -4.92 113.70 111.85 2yre s SER 15 Ca 0.02 2.03 -0.14 0.00 1.31 0.00 0.00 55.95 59.17 2yre s SER 15 Cb 0.03 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.59 2yre s SER 15 CO 0.14 -0.76 1.36 0.08 0.41 0.00 0.00 173.24 174.48 2yre h ARG 16 N 8.19 0.73 -1.16 12.44 0.11 -1.95 -3.06 114.38 129.67 2yre h ARG 16 Ca -0.36 -0.47 -0.10 0.00 0.10 0.00 0.00 59.98 59.15 2yre h ARG 16 Cb 1.16 0.06 -0.06 0.00 1.11 0.00 0.00 29.97 32.24 2yre h ARG 16 CO 0.92 1.09 0.13 0.54 0.10 0.00 0.00 179.97 182.76 2yre n ARG 17 N -4.15 1.25 -1.96 0.08 5.12 -1.26 -4.64 116.66 111.10 2yre n ARG 17 Ca -0.05 -0.57 -0.42 0.00 -1.93 0.00 0.00 57.85 54.87 2yre n ARG 17 Cb 0.57 -1.23 -0.03 0.00 -1.16 0.00 0.00 32.46 30.62 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 4.76 2.85 -3.80 0.00 2.81 -1.26 -4.96 117.12 117.53 2yre n MET 19 Ca 0.15 -4.44 -0.35 0.00 -1.81 0.00 0.00 57.70 51.25 2yre n MET 19 Cb 0.40 -2.09 -0.08 0.00 -0.71 0.00 0.00 33.22 30.73 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 -4.45 5.32 -0.25 2.03 2.01 -1.26 -5.03 115.64 114.01 2yre s THR 20 Ca 0.46 0.15 -0.39 0.00 0.31 0.00 0.00 61.69 62.22 2yre s THR 20 Cb 0.34 -3.41 -0.15 0.00 0.01 0.00 0.00 72.50 69.30 2yre s THR 20 CO -0.13 0.47 1.77 -1.14 -0.69 0.00 0.00 174.62 174.89 2yre n ARG 21 N 3.29 1.31 -2.12 4.92 0.63 -1.26 -4.85 116.66 118.59 2yre n ARG 21 Ca -0.17 0.48 -0.43 0.00 -0.92 0.00 0.00 57.85 56.82 2yre n ARG 21 Cb 0.52 -2.19 -0.03 0.00 0.45 0.00 0.00 32.46 31.22 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 3.62 3.75 0.29 -0.14 0.04 -1.26 -4.63 135.00 136.67 2yre s PRO 22 Ca 0.97 1.61 0.06 0.00 0.04 0.00 0.00 61.00 63.69 2yre s PRO 22 Cb -1.01 -4.05 -0.02 0.00 0.04 0.00 0.00 34.50 29.46 2yre s PRO 22 CO 0.63 -1.35 0.35 -1.21 0.04 0.00 0.00 177.00 175.47 2yre s GLU 23 N 4.76 3.12 0.00 4.56 0.41 0.70 -4.86 118.70 127.38 2yre s GLU 23 Ca 0.71 -0.99 0.03 0.00 -0.41 0.00 0.00 54.97 54.31 2yre s GLU 23 Cb -0.24 -2.74 0.17 0.00 -1.78 0.00 0.00 34.13 29.55 2yre s GLU 23 CO 0.30 0.25 0.65 -0.35 -0.49 0.00 0.00 175.26 175.61 2yre n PRO 24 N -1.44 0.49 0.22 0.39 -0.04 -1.26 -4.07 135.00 129.30 2yre n PRO 24 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2yre n PRO 24 Cb 0.58 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.01 -1.67 0.00 0.55 0.00 -1.26 -5.02 105.19 97.78 2yre n GLY 25 Ca 0.02 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2yre n GLY 25 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yre n ILE 26 N -3.40 0.00 -4.31 -0.61 -0.00 -1.26 -4.03 119.36 105.76 2yre n ILE 26 Ca 0.00 1.40 -0.16 0.00 -0.00 0.00 0.00 62.75 63.99 2yre n ILE 26 Cb 0.00 -2.11 -0.10 0.00 -0.00 0.00 0.00 39.64 37.43 2yre n ILE 26 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2yre s SER 27 N -2.58 1.74 0.43 4.38 1.04 -1.26 -0.86 113.70 116.59 2yre s SER 27 Ca 0.00 -1.19 0.03 0.00 0.48 0.00 0.00 55.95 55.28 2yre s SER 27 Cb 0.00 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 2yre s SER 27 CO 0.00 -0.49 0.05 0.00 0.98 0.00 0.00 173.24 173.78 2yre s ASP 29 N -3.70 4.40 0.10 0.00 1.01 -1.26 -4.56 116.67 112.66 2yre s ASP 29 Ca 0.21 2.02 0.03 0.00 0.71 0.00 0.00 52.55 55.52 2yre s ASP 29 Cb 0.04 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2yre s ASP 29 CO 0.11 -2.11 0.15 -0.76 0.21 0.00 0.00 175.17 172.77 2yre s LEU 30 N -5.56 4.02 -0.09 1.23 1.43 -1.26 -2.74 118.68 115.70 2yre s LEU 30 Ca 0.66 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.75 2yre s LEU 30 Cb -0.21 -2.65 0.03 0.00 0.03 0.00 0.00 46.19 43.39 2yre s LEU 30 CO 0.50 0.14 0.24 0.27 0.23 0.00 0.00 176.35 177.72 2yre s ILE 31 N -1.53 -0.01 0.25 -0.59 -5.25 -0.66 -4.82 121.20 108.59 2yre s ILE 31 Ca 0.32 0.02 -0.30 0.00 -0.99 0.00 0.00 60.65 59.70 2yre s ILE 31 Cb -0.12 -0.34 -0.09 0.00 2.95 0.00 0.00 42.46 44.86 2yre s ILE 31 CO 0.25 0.01 0.99 -0.83 -1.79 0.00 0.00 174.94 173.56 2yre s GLY 32 N 0.27 3.10 0.10 6.27 0.00 -1.26 -3.19 107.32 112.61 2yre s GLY 32 Ca -0.01 0.70 -0.35 0.00 0.00 0.00 0.00 44.72 45.06 2yre s GLY 32 CO -0.01 1.28 0.99 0.00 0.00 0.00 0.00 173.10 175.37 2yre n PRO 34 N 1.54 0.29 -0.43 0.00 -0.04 -1.26 -2.00 135.00 133.10 2yre n PRO 34 Ca 0.18 0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 2yre n PRO 34 Cb 0.18 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.20 3.88 -2.92 1.53 4.77 -1.26 -4.95 117.00 116.86 2yre n LEU 35 Ca 0.08 -2.60 -0.14 0.00 -0.03 0.00 0.00 56.01 53.32 2yre n LEU 35 Cb 0.10 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 2yre n LEU 35 CO 0.10 0.71 -0.07 1.33 -1.33 0.00 0.00 177.39 178.14 2yre n VAL 36 N 0.17 -0.43 0.25 4.08 0.24 -0.85 -4.77 118.33 117.02 2yre n VAL 36 Ca 0.20 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.58 2yre n VAL 36 Cb 0.77 -1.02 0.63 0.00 -1.47 0.00 0.00 33.84 32.76 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 -1.16 0.66 3.21 0.00 0.00 -1.26 -5.09 105.19 101.55 2yre n GLY 38 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.30 -0.92 -0.30 4.61 0.00 -1.26 -5.09 121.76 117.50 2yre s ALA 39 Ca 0.00 1.37 -0.10 0.00 0.00 0.00 0.00 51.96 53.23 2yre s ALA 39 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2yre s ALA 39 CO 0.00 -0.32 0.17 0.08 0.00 0.00 0.00 175.76 175.69 2yre s VAL 40 N 1.56 4.88 0.26 0.00 1.01 -1.26 -2.64 120.40 124.20 2yre s VAL 40 Ca -0.08 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2yre s VAL 40 Cb -0.09 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 2yre s VAL 40 CO -0.12 0.13 0.08 0.72 0.00 0.00 0.00 175.10 175.91 2yre s PHE 41 N 1.67 1.56 0.05 5.22 -0.71 -1.19 -4.18 117.98 120.40 2yre s PHE 41 Ca 0.06 -1.13 -0.31 0.00 -1.04 0.00 0.00 56.93 54.51 2yre s PHE 41 Cb -0.17 -0.93 -0.06 0.00 -1.21 0.00 0.00 43.02 40.66 2yre s PHE 41 CO 0.08 -0.28 1.33 -1.01 -1.34 0.00 0.00 175.22 174.00 2yre s HIS 42 N -3.68 3.16 0.35 3.49 3.76 -1.26 -1.65 115.29 119.46 2yre s HIS 42 Ca 0.36 1.02 0.28 0.00 -0.15 0.00 0.00 55.06 56.57 2yre s HIS 42 Cb 0.08 -3.59 1.17 0.00 1.11 0.00 0.00 32.58 31.35 2yre s HIS 42 CO 0.13 -2.04 1.18 -1.13 -0.85 0.00 0.00 174.74 172.03 2yre n SER 43 N 4.52 0.12 -0.02 1.40 3.41 -1.11 0.24 113.62 122.18 2yre n SER 43 Ca 0.11 0.97 -0.15 0.00 -0.26 0.00 0.00 58.87 59.54 2yre n SER 43 Cb 0.44 -0.48 -0.11 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.31 0.00 -0.23 0.00 1.79 0.28 -3.09 116.57 115.00 2yre h LYS 45 Ca -0.03 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 2yre h LYS 45 Cb 1.02 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.62 2yre h LYS 45 CO 0.06 0.00 -0.30 0.00 -1.08 0.00 0.00 179.45 178.13 2yre h ALA 46 N 2.00 -0.55 -0.85 3.86 0.00 -1.17 0.26 119.26 122.82 2yre h ALA 46 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 54.91 55.22 2yre h ALA 46 Cb 0.00 0.95 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 2yre h ALA 46 CO -0.00 -0.70 0.52 -0.40 0.00 0.00 0.00 179.25 178.67 2yre n ASP 47 N -4.15 0.18 0.05 0.00 5.75 -1.17 0.24 116.55 117.45 2yre n ASP 47 Ca -0.02 1.01 -0.23 0.00 -0.01 0.00 0.00 54.79 55.55 2yre n ASP 47 Cb 0.18 -0.49 -0.15 0.00 -1.03 0.00 0.00 41.12 39.63 2yre n ASP 47 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2yre h GLU 48 N 0.00 0.35 0.04 0.11 4.39 -0.96 -3.36 114.58 115.15 2yre h GLU 48 Ca 0.59 -0.60 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2yre h GLU 48 Cb 1.80 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 2yre h GLU 48 CO -0.39 1.29 -0.02 1.25 -1.16 0.00 0.00 179.01 179.98 2yre h HIS 49 N -0.02 -0.05 -1.38 4.33 2.76 0.62 -2.16 115.15 119.26 2yre h HIS 49 Ca -0.33 -0.00 0.40 0.00 -2.20 0.00 0.00 60.37 58.24 2yre h HIS 49 Cb 1.99 0.02 -0.06 0.00 1.55 0.00 0.00 27.41 30.91 2yre h HIS 49 CO 0.11 -0.01 0.99 0.07 -1.30 0.00 0.00 177.93 177.79 2yre h ARG 50 N -0.08 0.02 -0.32 5.26 0.11 -0.54 0.98 114.38 119.82 2yre h ARG 50 Ca -0.01 -0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 2yre h ARG 50 Cb 0.06 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 2yre h ARG 50 CO 0.01 0.01 -0.38 -0.07 0.10 0.00 0.00 179.97 179.64 2yre h LEU 51 N 0.02 0.81 0.00 0.08 3.38 -1.54 -3.33 115.31 114.72 2yre h LEU 51 Ca 0.66 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 2yre h LEU 51 Cb 2.61 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 43.13 2yre h LEU 51 CO -0.03 1.10 -0.52 -0.07 0.09 0.00 0.00 178.44 179.01 2yre h LEU 52 N 0.63 0.00 -5.49 1.67 3.38 0.77 -3.47 115.31 112.79 2yre h LEU 52 Ca 0.05 -0.48 -0.49 0.00 0.09 0.00 0.00 57.88 57.06 2yre h LEU 52 Cb 0.93 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.71 2yre h LEU 52 CO 0.09 1.04 0.06 0.00 0.09 0.00 0.00 178.44 179.72 2yre h PRO 54 N 1.92 0.89 -0.59 0.00 0.13 -1.90 -3.20 132.00 129.24 2yre h PRO 54 Ca -0.31 -0.47 0.09 0.00 -0.87 0.00 0.00 66.00 64.45 2yre h PRO 54 Cb 0.87 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.94 2yre h PRO 54 CO 0.41 1.11 0.21 0.74 -0.23 0.00 0.00 178.00 180.25 2yre h PHE 55 N 0.73 0.37 -1.46 1.56 -1.00 -1.93 0.80 116.94 116.01 2yre h PHE 55 Ca 0.06 0.03 -0.66 0.00 2.81 0.00 0.00 57.97 60.21 2yre h PHE 55 Cb 0.97 -0.08 0.10 0.00 3.61 0.00 0.00 35.95 40.56 2yre h PHE 55 CO 0.06 0.09 -0.27 -1.91 -1.61 0.00 0.00 178.31 174.67 2yre n GLU 56 N -5.01 0.44 -1.74 1.51 4.07 -1.21 -4.19 120.64 114.51 2yre n GLU 56 Ca 0.08 0.15 -0.42 0.00 -0.06 0.00 0.00 57.16 56.92 2yre n GLU 56 Cb 0.27 -1.32 -0.03 0.00 -0.06 0.00 0.00 31.44 30.30 2yre n GLU 56 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2yre s ARG 57 N -1.05 4.14 0.02 5.31 6.06 -1.26 -3.77 118.95 128.41 2yre s ARG 57 Ca 0.65 2.57 0.02 0.00 -2.50 0.00 0.00 55.73 56.47 2yre s ARG 57 Cb -0.88 -3.52 -0.02 0.00 0.06 0.00 0.00 34.95 30.59 2yre s ARG 57 CO 0.57 -0.82 -0.07 0.14 -2.50 0.00 0.00 175.30 172.62 2yre s VAL 58 N 2.51 0.51 0.47 7.11 -7.23 0.80 -4.93 120.40 119.64 2yre s VAL 58 Ca 0.79 -0.75 -0.22 0.00 -1.81 0.00 0.00 61.98 59.99 2yre s VAL 58 Cb -0.46 -0.53 -0.07 0.00 0.56 0.00 0.00 36.38 35.88 2yre s VAL 58 CO 0.35 -0.17 1.16 -2.16 -0.31 0.00 0.00 175.10 173.97 2yre s PRO 59 N -1.00 3.72 0.10 4.82 0.04 -1.26 -1.66 135.00 139.75 2yre s PRO 59 Ca -0.05 1.75 -0.36 0.00 0.04 0.00 0.00 61.00 62.38 2yre s PRO 59 Cb -0.07 -2.36 -0.17 0.00 0.04 0.00 0.00 34.50 31.94 2yre s PRO 59 CO 0.00 -0.58 1.24 0.00 0.04 0.00 0.00 177.00 177.70 2yre n LEU 61 N 2.25 0.15 -2.19 0.00 4.77 -1.26 0.92 117.00 121.64 2yre n LEU 61 Ca 0.18 1.61 -0.21 0.00 -0.03 0.00 0.00 56.01 57.56 2yre n LEU 61 Cb 0.19 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 2yre n LEU 61 CO 0.62 -1.73 1.44 -0.46 -1.33 0.00 0.00 177.39 175.92 2yre n ASN 62 N -5.28 6.29 -0.28 -1.43 0.23 -1.26 -4.58 115.26 108.96 2yre n ASN 62 Ca 0.31 -3.04 -0.03 0.00 -0.53 0.00 0.00 54.58 51.28 2yre n ASN 62 Cb 1.04 -1.19 0.08 0.00 -2.08 0.00 0.00 39.78 37.63 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 2.40 0.83 -0.88 0.53 4.64 0.23 -2.34 113.55 118.97 2yre h SER 63 Ca 0.32 -0.01 0.22 0.00 -0.47 0.00 0.00 61.79 61.85 2yre h SER 63 Cb 0.89 -0.19 -0.13 0.00 -0.31 0.00 0.00 62.40 62.66 2yre h SER 63 CO 0.73 0.58 0.35 0.44 -0.87 0.00 0.00 176.83 178.06 2yre h ASP 64 N 0.98 0.24 -0.97 4.97 3.32 -1.84 0.28 116.42 123.39 2yre h ASP 64 Ca 0.30 0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.59 2yre h ASP 64 Cb -0.03 0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 2yre h ASP 64 CO -0.09 -0.03 0.62 -0.26 -1.72 0.00 0.00 179.24 177.75 2yre h PHE 65 N 0.35 1.14 0.00 4.55 -1.00 -1.80 -3.46 116.94 116.72 2yre h PHE 65 Ca 0.54 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.36 2yre h PHE 65 Cb 1.04 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 40.23 2yre h PHE 65 CO -0.17 0.55 0.00 0.41 -1.61 0.00 0.00 178.31 177.49 2yre n GLY 66 N -1.35 0.98 3.50 -1.45 0.00 0.97 -5.08 105.19 102.77 2yre n GLY 66 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 5.85 0.02 -2.27 0.00 -0.04 -1.26 -4.59 135.00 132.71 2yre n PRO 68 Ca -0.05 0.27 -0.38 0.00 -0.04 0.00 0.00 63.50 63.31 2yre n PRO 68 Cb 0.48 -1.54 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 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 -3.03 2.97 -0.11 0.54 0.08 -1.26 -5.03 117.98 112.14 2yre s PHE 69 Ca 0.07 1.54 -0.05 0.00 0.12 0.00 0.00 56.93 58.60 2yre s PHE 69 Cb 0.09 -3.40 0.05 0.00 -0.57 0.00 0.00 43.02 39.19 2yre s PHE 69 CO 0.27 -1.44 0.26 0.95 -0.10 0.00 0.00 175.22 175.16 2yre s THR 70 N -1.47 -0.07 0.38 0.64 -4.23 -1.26 -3.24 115.64 106.39 2yre s THR 70 Ca 0.60 0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 61.13 2yre s THR 70 Cb -0.30 -0.40 0.05 0.00 1.34 0.00 0.00 72.50 73.19 2yre s THR 70 CO 0.37 0.06 0.74 1.15 -0.54 0.00 0.00 174.62 176.41 2yre n MET 71 N 4.33 1.06 -1.75 3.99 0.00 -0.66 -4.89 117.12 119.21 2yre n MET 71 Ca -0.24 -2.19 -0.38 0.00 0.00 0.00 0.00 57.70 54.90 2yre n MET 71 Cb 0.53 2.67 0.06 0.00 0.00 0.00 0.00 33.22 36.48 2yre n MET 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2yre s ALA 72 N -2.09 2.55 0.40 3.17 0.00 -1.26 -0.14 121.76 124.39 2yre s ALA 72 Ca 0.16 1.27 0.09 0.00 0.00 0.00 0.00 51.96 53.48 2yre s ALA 72 Cb -0.04 -3.56 0.83 0.00 0.00 0.00 0.00 23.12 20.34 2yre s ALA 72 CO 0.12 -1.52 1.98 -0.09 0.00 0.00 0.00 175.76 176.24 2yre h ARG 73 N 0.90 0.35 -0.25 0.00 9.65 0.55 0.07 114.38 125.65 2yre h ARG 73 Ca -0.51 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.32 2yre h ARG 73 Cb 1.32 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 2yre h ARG 73 CO 0.55 0.36 0.00 0.27 2.80 0.00 0.00 179.97 183.95 2yre n ASN 74 N -4.37 1.22 0.00 -3.80 6.94 -1.23 -3.62 115.26 110.41 2yre n ASN 74 Ca 0.01 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 52.55 2yre n ASN 74 Cb 0.18 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 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 0.14 3.16 -0.25 -3.83 4.76 -0.25 -4.76 118.16 117.13 2yre n LYS 75 Ca 0.07 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.53 2yre n LYS 75 Cb 0.20 -0.94 0.10 0.00 -1.84 0.00 0.00 35.03 32.56 2yre n LYS 75 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2yre h VAL 76 N 0.00 0.29 -0.19 -0.18 2.07 -1.12 -2.44 116.25 114.68 2yre h VAL 76 Ca 0.00 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2yre h VAL 76 Cb 0.77 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2yre h VAL 76 CO 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.48 2yre n ALA 77 N -3.14 -0.12 -0.26 1.67 0.00 -1.26 0.13 120.51 117.53 2yre n ALA 77 Ca 0.11 0.17 0.06 0.00 0.00 0.00 0.00 53.44 53.77 2yre n ALA 77 Cb 0.40 0.18 0.17 0.00 0.00 0.00 0.00 19.45 20.20 2yre n ALA 77 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2yre h GLU 78 N 0.00 0.10 -0.21 0.00 5.08 -1.79 0.55 114.58 118.31 2yre h GLU 78 Ca 0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2yre h GLU 78 Cb 0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2yre h GLU 78 CO -0.18 0.07 0.14 1.25 -1.00 0.00 0.00 179.01 179.28 2yre h HIS 79 N 0.10 0.26 -1.13 4.33 2.76 0.11 -2.25 115.15 119.33 2yre h HIS 79 Ca 0.43 0.01 0.32 0.00 -2.20 0.00 0.00 60.37 58.92 2yre h HIS 79 Cb 0.76 -0.09 -0.10 0.00 1.55 0.00 0.00 27.41 29.53 2yre h HIS 79 CO -0.42 0.16 0.73 -0.07 -1.30 0.00 0.00 177.93 177.03 2yre h LEU 80 N 0.28 0.36 -0.52 0.26 3.38 0.19 0.62 115.31 119.88 2yre h LEU 80 Ca 0.08 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2yre h LEU 80 Cb -0.03 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2yre h LEU 80 CO -0.02 0.00 0.30 -0.33 0.09 0.00 0.00 178.44 178.48 2yre h GLU 81 N 0.28 0.57 -0.43 1.13 4.39 -1.04 -2.54 114.58 116.94 2yre h GLU 81 Ca 0.66 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 60.19 2yre h GLU 81 Cb 1.86 -0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 30.30 2yre h GLU 81 CO -0.32 0.38 0.07 0.00 -1.16 0.00 0.00 179.01 177.98 2yre n MET 82 N -4.82 2.68 -3.14 2.33 0.00 0.99 -4.81 117.12 110.36 2yre n MET 82 Ca 0.04 -3.02 -0.39 0.00 0.00 0.00 0.00 57.70 54.33 2yre n MET 82 Cb 0.09 -1.93 -0.06 0.00 0.00 0.00 0.00 33.22 31.32 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 5.13 0.38 0.00 0.00 0.13 -1.88 -3.03 132.00 132.72 2yre h PRO 84 Ca -0.46 -0.20 -0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2yre h PRO 84 Cb 1.21 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2yre h PRO 84 CO 0.68 0.76 -0.02 0.00 -0.23 0.00 0.00 178.00 179.18 2yre h ALA 85 N 0.61 1.19 0.00 -0.56 0.00 -1.94 -0.67 119.26 117.90 2yre h ALA 85 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2yre h ALA 85 Cb 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2yre h ALA 85 CO 0.04 0.03 0.00 1.03 0.00 0.00 0.00 179.25 180.35 2yre h SER 86 N 0.00 0.00 -6.03 0.00 0.87 -1.82 -3.46 113.55 103.10 2yre h SER 86 Ca -0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 2yre h SER 86 Cb 0.12 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 61.92 2yre h SER 86 CO 0.00 0.00 -0.56 1.33 -0.53 0.00 0.00 176.83 177.07 2yre n VAL 87 N -2.42 -0.43 -3.43 2.23 0.24 -0.26 -4.85 118.33 109.41 2yre n VAL 87 Ca 0.02 -0.22 -0.08 0.00 -2.04 0.00 0.00 64.34 62.02 2yre n VAL 87 Cb 0.24 -0.51 -0.08 0.00 -1.47 0.00 0.00 33.84 32.02 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 -3.42 -0.00 0.28 -1.34 0.15 -1.26 -5.16 113.70 102.94 2yre s SER 88 Ca 0.13 0.49 0.10 0.00 0.70 0.00 0.00 55.95 57.37 2yre s SER 88 Cb -0.08 1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 65.43 2yre s SER 88 CO 0.60 -0.28 -0.14 -0.83 1.20 0.00 0.00 173.24 173.79 2yre s GLY 89 N 2.58 1.85 -0.89 9.45 0.00 -1.26 -4.88 107.32 114.17 2yre s GLY 89 Ca 0.09 -1.88 -0.25 0.00 0.00 0.00 0.00 44.72 42.68 2yre s GLY 89 CO -0.15 -1.92 1.94 2.56 0.00 0.00 0.00 173.10 175.53 2yre s PRO 90 N -3.60 2.56 -0.11 2.90 0.04 -1.26 -4.95 135.00 130.58 2yre s PRO 90 Ca 0.29 -0.26 -0.04 0.00 0.04 0.00 0.00 61.00 61.03 2yre s PRO 90 Cb -0.01 -5.04 -0.04 0.00 0.04 0.00 0.00 34.50 29.46 2yre s PRO 90 CO 0.13 -3.34 0.06 -1.54 0.04 0.00 0.00 177.00 172.34 2yre s SER 91 N 8.02 5.66 -0.16 6.66 1.04 -1.26 -5.03 113.70 128.64 2yre s SER 91 Ca 0.70 0.23 -0.19 0.00 0.48 0.00 0.00 55.95 57.17 2yre s SER 91 Cb -0.07 -1.75 -0.16 0.00 0.10 0.00 0.00 66.02 64.13 2yre s SER 91 CO 0.00 0.35 0.33 -1.28 0.98 0.00 0.00 173.24 173.62 2yre h SER 92 N 5.39 0.00 -0.01 7.02 0.87 -2.09 -3.56 113.55 121.17 2yre h SER 92 Ca -0.49 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 59.53 2yre h SER 92 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2yre h SER 92 CO 0.58 1.06 0.00 0.61 -0.53 0.00 0.00 176.83 178.55