#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 -0.01 -0.02 1.61 0.15 -1.26 -5.15 113.70 109.02 2yre s SER -5 Ca 0.00 0.69 0.07 0.00 0.70 0.00 0.00 55.95 57.42 2yre s SER -5 Cb 0.00 1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 65.47 2yre s SER -5 CO 0.00 -0.25 -0.24 -0.94 1.20 0.00 0.00 173.24 173.00 2yre s SER -4 N 2.56 3.21 0.00 5.45 1.04 -1.26 -5.11 113.70 119.60 2yre s SER -4 Ca 0.03 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2yre s SER -4 Cb -0.13 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2yre s SER -4 CO -0.13 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2yre n GLY -3 N 2.41 1.31 3.41 7.32 0.00 -1.26 -5.19 105.19 113.19 2yre n GLY -3 Ca -0.16 0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 2.12 0.09 1.61 1.04 -1.26 -5.18 113.70 112.12 2yre s SER -2 Ca 0.00 -1.63 0.02 0.00 0.48 0.00 0.00 55.95 54.82 2yre s SER -2 Cb 0.00 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 2yre s SER -2 CO 0.00 -0.93 -0.07 -0.94 0.98 0.00 0.00 173.24 172.28 2yre s SER -1 N -3.48 1.15 0.00 7.02 1.04 -1.26 -5.14 113.70 113.04 2yre s SER -1 Ca 0.31 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2yre s SER -1 Cb 0.04 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2yre s SER -1 CO 0.18 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2yre n GLY 0 N 0.27 3.40 2.93 7.32 0.00 -1.26 -5.16 105.19 112.70 2yre n GLY 0 Ca -0.14 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.79 1.13 -0.06 1.61 1.00 -1.26 -5.14 119.30 114.79 2yre s MET 1 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 55.69 55.43 2yre s MET 1 Cb 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 34.83 33.80 2yre s MET 1 CO 0.00 -0.06 0.15 -1.21 0.00 0.00 0.00 175.02 173.91 2yre s GLU 2 N 0.88 0.16 -0.00 2.03 2.02 -1.26 -5.16 118.70 117.36 2yre s GLU 2 Ca -0.11 0.25 -0.03 0.00 0.02 0.00 0.00 54.97 55.09 2yre s GLU 2 Cb -0.15 0.03 -0.00 0.00 0.10 0.00 0.00 34.13 34.11 2yre s GLU 2 CO 0.01 -0.05 0.07 -1.21 0.02 0.00 0.00 175.26 174.09 2yre s GLU 3 N 0.30 0.30 0.69 1.61 0.41 -1.26 -5.14 118.70 115.61 2yre s GLU 3 Ca -0.02 -0.30 -0.17 0.00 -0.41 0.00 0.00 54.97 54.08 2yre s GLU 3 Cb -0.03 0.12 -0.04 0.00 -1.78 0.00 0.00 34.13 32.40 2yre s GLU 3 CO -0.01 -0.06 0.62 -1.91 -0.49 0.00 0.00 175.26 173.41 2yre n GLU 4 N 2.03 0.41 -4.36 1.61 2.13 -1.26 -5.02 120.64 116.17 2yre n GLU 4 Ca -0.20 0.18 -0.29 0.00 0.66 0.00 0.00 57.16 57.52 2yre n GLU 4 Cb 0.57 -1.88 -0.06 0.00 0.27 0.00 0.00 31.44 30.33 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 -0.55 2.68 0.13 4.31 1.43 -1.26 -5.14 118.68 120.27 2yre s LEU 5 Ca 0.68 -1.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 2yre s LEU 5 Cb -0.37 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 2yre s LEU 5 CO 0.55 -0.78 0.27 0.00 0.23 0.00 0.00 176.35 176.63 2yre s GLN 6 N -3.96 3.45 -0.17 1.70 -2.07 -1.26 -5.02 119.66 112.32 2yre s GLN 6 Ca 0.26 -0.51 -0.00 0.00 -1.82 0.00 0.00 55.36 53.28 2yre s GLN 6 Cb 0.02 -2.97 0.00 0.00 -1.09 0.00 0.00 33.01 28.97 2yre s GLN 6 CO 0.14 0.53 -0.14 -1.01 -1.32 0.00 0.00 175.29 173.50 2yre s HIS 7 N -1.68 2.82 0.44 9.60 3.76 -1.26 -4.99 115.29 123.97 2yre s HIS 7 Ca 0.35 -1.14 0.24 0.00 -0.15 0.00 0.00 55.06 54.37 2yre s HIS 7 Cb -0.12 -1.94 1.25 0.00 1.11 0.00 0.00 32.58 32.88 2yre s HIS 7 CO 0.28 -0.55 1.77 0.77 -0.85 0.00 0.00 174.74 176.16 2yre h SER 8 N 7.58 0.31 0.01 1.40 0.02 -1.68 0.32 113.55 121.52 2yre h SER 8 Ca -0.37 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2yre h SER 8 Cb 1.17 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2yre h SER 8 CO 0.59 0.04 -0.00 -0.74 -1.14 0.00 0.00 176.83 175.58 2yre h HIS 9 N 0.26 -0.01 -0.67 3.45 -0.00 -1.25 -3.28 115.15 113.66 2yre h HIS 9 Ca 0.61 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 61.09 2yre h HIS 9 Cb 1.80 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 29.09 2yre h HIS 9 CO -0.00 -0.00 -0.34 0.00 -0.00 0.00 0.00 177.93 177.58 2yre h VAL 11 N -0.13 0.25 -0.74 0.00 -1.51 -0.55 0.64 116.25 114.21 2yre h VAL 11 Ca 0.26 -0.06 -0.52 0.00 -1.23 0.00 0.00 66.70 65.14 2yre h VAL 11 Cb 0.56 0.05 -0.33 0.00 -2.13 0.00 0.00 31.29 29.44 2yre h VAL 11 CO -0.74 0.03 -0.24 0.59 -1.23 0.00 0.00 177.57 175.99 2yre n ASN 12 N -4.69 5.23 -3.85 4.19 3.02 0.16 -4.90 115.26 114.41 2yre n ASN 12 Ca 0.33 -3.77 -0.30 0.00 -0.03 0.00 0.00 54.58 50.81 2yre n ASN 12 Cb 1.24 -0.56 -0.15 0.00 -0.61 0.00 0.00 39.78 39.70 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 4.28 2.95 -4.01 0.00 0.24 -1.26 -4.92 118.33 115.61 2yre n VAL 14 Ca 0.02 -1.68 -0.26 0.00 -2.04 0.00 0.00 64.34 60.39 2yre n VAL 14 Cb 0.40 -0.46 -0.04 0.00 -1.47 0.00 0.00 33.84 32.27 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 -1.05 5.95 -0.23 -1.34 0.15 -1.26 -5.05 113.70 110.87 2yre s SER 15 Ca 0.53 0.02 -0.15 0.00 0.70 0.00 0.00 55.95 57.05 2yre s SER 15 Cb 0.43 -1.69 -0.09 0.00 -1.71 0.00 0.00 66.02 62.96 2yre s SER 15 CO 0.11 0.05 -0.34 0.54 1.20 0.00 0.00 173.24 174.80 2yre n ARG 16 N -0.52 0.54 -0.33 5.44 1.74 -1.26 -4.47 116.66 117.80 2yre n ARG 16 Ca -0.08 0.23 -0.05 0.00 -0.77 0.00 0.00 57.85 57.18 2yre n ARG 16 Cb 0.55 -1.43 0.03 0.00 -1.02 0.00 0.00 32.46 30.59 2yre n ARG 16 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2yre n ARG 17 N -4.28 1.27 -1.93 5.56 5.12 -1.26 -4.68 116.66 116.47 2yre n ARG 17 Ca -0.39 -0.61 -0.41 0.00 -1.93 0.00 0.00 57.85 54.51 2yre n ARG 17 Cb 0.74 -1.24 -0.02 0.00 -1.16 0.00 0.00 32.46 30.78 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 2.36 2.39 -3.62 0.00 2.81 -1.26 -4.96 117.12 114.83 2yre n MET 19 Ca 0.08 -4.22 -0.36 0.00 -1.81 0.00 0.00 57.70 51.38 2yre n MET 19 Cb 0.39 -1.99 -0.07 0.00 -0.71 0.00 0.00 33.22 30.84 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 -3.87 5.33 -0.25 2.03 2.01 -1.26 -5.02 115.64 114.60 2yre s THR 20 Ca 0.44 0.46 -0.39 0.00 0.31 0.00 0.00 61.69 62.51 2yre s THR 20 Cb 0.33 -3.57 -0.15 0.00 0.01 0.00 0.00 72.50 69.12 2yre s THR 20 CO -0.11 0.45 1.77 -1.14 -0.69 0.00 0.00 174.62 174.90 2yre n ARG 21 N 3.16 1.31 -2.08 4.92 0.63 -1.26 -4.84 116.66 118.51 2yre n ARG 21 Ca -0.14 0.48 -0.42 0.00 -0.92 0.00 0.00 57.85 56.85 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 3.68 3.22 0.31 -0.14 0.04 -1.26 -4.58 135.00 136.26 2yre s PRO 22 Ca 0.98 1.14 0.05 0.00 0.04 0.00 0.00 61.00 63.20 2yre s PRO 22 Cb -1.01 -4.21 -0.02 0.00 0.04 0.00 0.00 34.50 29.30 2yre s PRO 22 CO 0.64 -2.00 0.46 -1.21 0.04 0.00 0.00 177.00 174.93 2yre s GLU 23 N 5.83 3.27 0.00 4.56 0.41 0.71 -4.85 118.70 128.63 2yre s GLU 23 Ca 0.73 -0.79 0.05 0.00 -0.41 0.00 0.00 54.97 54.55 2yre s GLU 23 Cb -0.18 -2.80 0.29 0.00 -1.78 0.00 0.00 34.13 29.65 2yre s GLU 23 CO 0.30 0.17 0.75 -0.35 -0.49 0.00 0.00 175.26 175.65 2yre n PRO 24 N -1.62 0.49 0.22 0.39 -0.04 -1.26 -4.03 135.00 129.15 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 0.57 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.66 0.08 0.55 0.00 -1.26 -5.01 105.19 97.88 2yre n GLY 25 Ca 0.04 0.32 -0.02 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.15 -0.61 5.03 -1.95 -3.36 117.51 112.48 2yre h ILE 26 Ca 0.00 0.00 -0.22 0.00 -0.12 0.00 0.00 64.86 64.52 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 -0.66 -0.94 -0.68 0.00 0.00 178.15 175.87 2yre s SER 27 N -3.06 0.69 0.42 1.72 1.04 -1.26 -0.79 113.70 112.45 2yre s SER 27 Ca -0.03 -1.17 0.03 0.00 0.48 0.00 0.00 55.95 55.27 2yre s SER 27 Cb 0.01 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 2yre s SER 27 CO 0.11 -0.65 0.06 0.00 0.98 0.00 0.00 173.24 173.74 2yre s ASP 29 N -3.67 3.55 -0.03 0.00 1.01 -1.26 -4.60 116.67 111.67 2yre s ASP 29 Ca 0.23 2.08 -0.01 0.00 0.71 0.00 0.00 52.55 55.55 2yre s ASP 29 Cb 0.05 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2yre s ASP 29 CO 0.12 -2.68 0.06 -0.76 0.21 0.00 0.00 175.17 172.12 2yre s LEU 30 N -6.27 3.82 -0.04 1.23 1.43 -1.26 -1.72 118.68 115.87 2yre s LEU 30 Ca 0.65 0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.88 2yre s LEU 30 Cb -0.21 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.91 2yre s LEU 30 CO 0.56 0.31 0.10 0.27 0.23 0.00 0.00 176.35 177.82 2yre s ILE 31 N -1.09 -0.01 0.49 -0.59 -5.25 -1.05 -4.80 121.20 108.89 2yre s ILE 31 Ca 0.19 0.03 -0.21 0.00 -0.99 0.00 0.00 60.65 59.68 2yre s ILE 31 Cb -0.12 -0.15 -0.07 0.00 2.95 0.00 0.00 42.46 45.07 2yre s ILE 31 CO 0.10 0.01 1.10 -0.83 -1.79 0.00 0.00 174.94 173.53 2yre s GLY 32 N 0.24 2.64 0.21 6.27 0.00 -1.26 -3.25 107.32 112.17 2yre s GLY 32 Ca -0.02 0.76 -0.32 0.00 0.00 0.00 0.00 44.72 45.14 2yre s GLY 32 CO -0.01 1.13 1.36 0.00 0.00 0.00 0.00 173.10 175.58 2yre n PRO 34 N 2.07 0.19 -0.41 0.00 -0.04 -1.26 -1.97 135.00 133.57 2yre n PRO 34 Ca 0.13 0.16 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 2yre n PRO 34 Cb 0.29 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.31 3.89 -3.63 1.53 4.77 -1.26 -4.95 117.00 116.04 2yre n LEU 35 Ca 0.07 -2.39 -0.26 0.00 -0.03 0.00 0.00 56.01 53.40 2yre n LEU 35 Cb 0.12 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 2yre n LEU 35 CO 0.12 0.77 -0.06 1.33 -1.33 0.00 0.00 177.39 178.22 2yre n VAL 36 N 0.60 -0.60 0.26 4.08 0.24 -0.83 -4.78 118.33 117.29 2yre n VAL 36 Ca 0.20 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.63 2yre n VAL 36 Cb 0.71 -1.20 0.67 0.00 -1.47 0.00 0.00 33.84 32.55 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 -0.35 0.74 3.64 0.00 0.00 -1.26 -5.02 105.19 102.94 2yre n GLY 38 Ca -0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.80 -1.89 -0.28 4.61 0.00 -1.26 -5.09 121.76 116.05 2yre s ALA 39 Ca 0.00 2.19 -0.08 0.00 0.00 0.00 0.00 51.96 54.07 2yre s ALA 39 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 2yre s ALA 39 CO 0.00 -0.34 0.11 0.08 0.00 0.00 0.00 175.76 175.61 2yre s VAL 40 N 0.96 4.41 0.05 0.00 1.01 -1.26 -2.61 120.40 122.95 2yre s VAL 40 Ca -0.04 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2yre s VAL 40 Cb -0.05 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 2yre s VAL 40 CO -0.10 0.18 -0.10 0.72 0.00 0.00 0.00 175.10 175.80 2yre s PHE 41 N 1.60 0.85 0.18 5.22 -0.12 -1.20 -4.33 117.98 120.17 2yre s PHE 41 Ca 0.05 -0.46 -0.33 0.00 -0.05 0.00 0.00 56.93 56.14 2yre s PHE 41 Cb -0.16 -0.50 -0.15 0.00 -0.63 0.00 0.00 43.02 41.58 2yre s PHE 41 CO 0.05 -0.03 1.30 0.72 -0.05 0.00 0.00 175.22 177.20 2yre n HIS 42 N 1.49 1.67 -0.26 3.49 8.25 -1.26 -2.54 115.22 126.06 2yre n HIS 42 Ca -0.22 0.56 0.13 0.00 -0.26 0.00 0.00 57.72 57.93 2yre n HIS 42 Cb 0.55 -2.36 0.25 0.00 1.12 0.00 0.00 29.99 29.54 2yre n HIS 42 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2yre n SER 43 N 2.26 -0.05 -0.09 0.41 3.41 -0.70 0.20 113.62 119.06 2yre n SER 43 Ca 0.15 1.28 -0.10 0.00 -0.26 0.00 0.00 58.87 59.93 2yre n SER 43 Cb 0.26 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 2yre n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yre n LYS 45 N -4.71 0.00 0.19 0.00 4.76 0.52 -1.81 118.16 117.11 2yre n LYS 45 Ca -0.03 0.40 0.14 0.00 -2.87 0.00 0.00 58.31 55.95 2yre n LYS 45 Cb 0.17 -1.50 0.62 0.00 -1.84 0.00 0.00 35.03 32.48 2yre n LYS 45 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2yre h ALA 46 N 2.20 1.00 0.01 7.82 0.00 -0.37 0.42 119.26 130.34 2yre h ALA 46 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2yre h ALA 46 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2yre h ALA 46 CO 0.00 0.00 -1.48 -0.44 0.00 0.00 0.00 179.25 177.33 2yre h ASP 47 N 0.00 0.05 0.29 0.00 3.32 -1.52 -3.28 116.42 115.27 2yre h ASP 47 Ca 0.00 -0.08 -0.33 0.00 0.02 0.00 0.00 57.03 56.65 2yre h ASP 47 Cb 0.30 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 2yre h ASP 47 CO 0.00 1.07 -1.98 -1.84 -1.72 0.00 0.00 179.24 174.77 2yre n GLU 48 N -3.19 0.66 -0.24 3.56 -0.00 -0.90 -4.26 120.64 116.26 2yre n GLU 48 Ca -0.12 0.19 -0.06 0.00 -0.00 0.00 0.00 57.16 57.17 2yre n GLU 48 Cb 1.02 -1.69 0.05 0.00 -0.00 0.00 0.00 31.44 30.81 2yre n GLU 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2yre h HIS 49 N 0.00 0.97 -0.83 -1.84 2.76 -0.34 -2.15 115.15 113.73 2yre h HIS 49 Ca -0.39 -0.04 0.24 0.00 -2.20 0.00 0.00 60.37 57.98 2yre h HIS 49 Cb 2.09 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 30.72 2yre h HIS 49 CO 0.01 0.71 0.72 0.07 -1.30 0.00 0.00 177.93 178.14 2yre h ARG 50 N 0.94 0.00 -0.27 5.26 0.11 -1.74 0.27 114.38 118.95 2yre h ARG 50 Ca 0.23 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.31 2yre h ARG 50 Cb 0.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 2yre h ARG 50 CO -0.03 0.00 0.16 -0.07 0.10 0.00 0.00 179.97 180.13 2yre h LEU 51 N 0.00 0.33 0.18 0.08 3.38 -1.61 -3.23 115.31 114.44 2yre h LEU 51 Ca 0.39 -0.06 -0.33 0.00 0.09 0.00 0.00 57.88 57.97 2yre h LEU 51 Cb 1.84 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 42.51 2yre h LEU 51 CO -0.00 0.30 -1.65 -0.07 0.09 0.00 0.00 178.44 177.10 2yre h LEU 52 N 0.34 0.58 -5.82 1.67 4.07 -0.88 -3.47 115.31 111.80 2yre h LEU 52 Ca 0.10 -0.92 -0.57 0.00 0.08 0.00 0.00 57.88 56.57 2yre h LEU 52 Cb 0.03 -0.19 0.01 0.00 1.08 0.00 0.00 40.66 41.59 2yre h LEU 52 CO -0.02 1.75 0.45 0.00 -1.08 0.00 0.00 178.44 179.54 2yre h PRO 54 N 3.25 0.00 0.00 0.00 0.13 -1.91 -2.59 132.00 130.89 2yre h PRO 54 Ca -0.28 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.75 2yre h PRO 54 Cb 0.89 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 2yre h PRO 54 CO 0.63 0.00 -1.02 0.74 -0.23 0.00 0.00 178.00 178.13 2yre h PHE 55 N 0.00 0.00 -2.24 1.56 -1.00 -1.93 0.22 116.94 113.54 2yre h PHE 55 Ca 0.00 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.18 2yre h PHE 55 Cb 0.37 0.00 0.06 0.00 3.61 0.00 0.00 35.95 39.99 2yre h PHE 55 CO 0.00 0.35 0.67 -1.91 -1.61 0.00 0.00 178.31 175.81 2yre n GLU 56 N -2.91 1.89 -1.66 1.51 0.00 -0.98 -4.39 120.64 114.10 2yre n GLU 56 Ca -0.04 0.68 -0.44 0.00 0.00 0.00 0.00 57.16 57.37 2yre n GLU 56 Cb 0.71 -2.39 -0.03 0.00 0.00 0.00 0.00 31.44 29.73 2yre n GLU 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2yre n ARG 57 N 2.86 2.71 -4.16 5.31 0.63 -1.26 -3.80 116.66 118.93 2yre n ARG 57 Ca 0.16 0.99 -0.16 0.00 -0.92 0.00 0.00 57.85 57.92 2yre n ARG 57 Cb 0.27 -2.93 -0.12 0.00 0.45 0.00 0.00 32.46 30.13 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 4.43 0.75 0.50 5.15 -7.23 0.10 -4.92 120.40 119.19 2yre s VAL 58 Ca 0.90 -0.96 -0.21 0.00 -1.81 0.00 0.00 61.98 59.90 2yre s VAL 58 Cb -0.49 -0.74 -0.07 0.00 0.56 0.00 0.00 36.38 35.64 2yre s VAL 58 CO 0.44 -0.19 1.15 -2.16 -0.31 0.00 0.00 175.10 174.03 2yre s PRO 59 N -1.27 3.56 0.12 4.82 0.04 -1.26 -1.04 135.00 139.96 2yre s PRO 59 Ca -0.04 1.69 -0.35 0.00 0.04 0.00 0.00 61.00 62.34 2yre s PRO 59 Cb -0.08 -2.20 -0.16 0.00 0.04 0.00 0.00 34.50 32.10 2yre s PRO 59 CO 0.01 -0.70 1.33 0.00 0.04 0.00 0.00 177.00 177.68 2yre n LEU 61 N 2.50 -0.31 -1.88 0.00 4.77 -1.26 0.21 117.00 121.04 2yre n LEU 61 Ca 0.17 1.27 -0.12 0.00 -0.03 0.00 0.00 56.01 57.30 2yre n LEU 61 Cb 0.22 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 2yre n LEU 61 CO 0.62 -1.20 1.27 -0.46 -1.33 0.00 0.00 177.39 176.29 2yre n ASN 62 N -5.18 5.92 -0.17 -1.43 0.23 -1.26 -4.45 115.26 108.92 2yre n ASN 62 Ca 0.11 -2.78 -0.10 0.00 -0.53 0.00 0.00 54.58 51.28 2yre n ASN 62 Cb 0.35 -1.17 0.00 0.00 -2.08 0.00 0.00 39.78 36.89 2yre n ASN 62 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2yre h SER 63 N 1.80 0.80 -0.92 0.53 0.87 0.22 -2.97 113.55 113.89 2yre h SER 63 Ca 0.20 -0.28 0.26 0.00 -1.23 0.00 0.00 61.79 60.74 2yre h SER 63 Cb 1.01 -0.21 -0.14 0.00 -0.44 0.00 0.00 62.40 62.61 2yre h SER 63 CO 0.45 0.88 0.34 -0.78 -0.53 0.00 0.00 176.83 177.20 2yre h ASP 64 N 0.69 0.17 -0.63 6.23 1.82 -1.82 0.80 116.42 123.69 2yre h ASP 64 Ca 0.14 0.19 0.07 0.00 -0.39 0.00 0.00 57.03 57.05 2yre h ASP 64 Cb 0.44 0.22 -0.04 0.00 0.68 0.00 0.00 39.33 40.64 2yre h ASP 64 CO 0.02 -0.14 0.42 -0.26 -1.61 0.00 0.00 179.24 177.66 2yre h PHE 65 N 0.25 0.58 0.00 0.28 -1.00 -1.89 -3.45 116.94 111.71 2yre h PHE 65 Ca 0.61 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.40 2yre h PHE 65 Cb 1.28 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.65 2yre h PHE 65 CO -0.18 0.30 0.00 0.41 -1.61 0.00 0.00 178.31 177.22 2yre n GLY 66 N -1.48 0.89 3.50 -1.45 0.00 0.28 -5.11 105.19 101.81 2yre n GLY 66 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 5.99 0.19 -1.68 0.00 -0.04 -1.26 -4.49 135.00 133.70 2yre n PRO 68 Ca -0.04 0.42 -0.45 0.00 -0.04 0.00 0.00 63.50 63.39 2yre n PRO 68 Cb 0.48 -1.86 -0.04 0.00 -0.04 0.00 0.00 33.50 32.03 2yre n PRO 68 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2yre n PHE 69 N -2.22 2.45 -4.06 0.54 3.01 -1.26 -4.92 117.46 111.00 2yre n PHE 69 Ca 0.02 0.03 -0.20 0.00 1.01 0.00 0.00 57.45 58.30 2yre n PHE 69 Cb 0.22 -2.65 -0.17 0.00 -0.01 0.00 0.00 39.48 36.88 2yre n PHE 69 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2yre s THR 70 N 2.37 0.49 0.34 4.37 -4.23 -1.26 -1.39 115.64 116.33 2yre s THR 70 Ca 0.83 -0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 61.15 2yre s THR 70 Cb -0.60 -0.55 0.05 0.00 1.34 0.00 0.00 72.50 72.75 2yre s THR 70 CO 0.40 0.23 0.69 1.15 -0.54 0.00 0.00 174.62 176.55 2yre n MET 71 N 4.29 0.99 -2.02 3.99 0.00 -0.21 -4.88 117.12 119.28 2yre n MET 71 Ca -0.21 -1.94 -0.35 0.00 0.00 0.00 0.00 57.70 55.19 2yre n MET 71 Cb 0.51 2.42 0.03 0.00 0.00 0.00 0.00 33.22 36.18 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 -1.94 2.55 0.32 3.17 0.00 -1.26 0.03 121.76 124.63 2yre s ALA 72 Ca 0.14 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.06 2yre s ALA 72 Cb -0.04 -3.43 0.60 0.00 0.00 0.00 0.00 23.12 20.25 2yre s ALA 72 CO 0.10 -1.13 1.94 0.00 0.00 0.00 0.00 175.76 176.68 2yre h ARG 73 N 0.84 0.91 -0.01 0.00 3.08 -0.70 0.24 114.38 118.74 2yre h ARG 73 Ca -0.50 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2yre h ARG 73 Cb 1.29 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2yre h ARG 73 CO 0.55 0.60 0.00 -1.71 -1.07 0.00 0.00 179.97 178.34 2yre n ASN 74 N -4.47 0.06 0.00 7.04 5.15 -0.76 -3.20 115.26 119.07 2yre n ASN 74 Ca 0.12 -1.91 0.00 0.00 -0.60 0.00 0.00 54.58 52.19 2yre n ASN 74 Cb 0.18 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 2yre n ASN 74 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2yre n LYS 75 N -0.52 2.34 -0.30 1.20 4.01 0.56 -4.76 118.16 120.69 2yre n LYS 75 Ca 0.03 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.95 2yre n LYS 75 Cb 0.02 -0.91 0.27 0.00 -0.51 0.00 0.00 35.03 33.90 2yre n LYS 75 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2yre h VAL 76 N 0.00 0.22 -0.27 -0.18 2.07 -0.72 -1.88 116.25 115.49 2yre h VAL 76 Ca 0.00 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2yre h VAL 76 Cb 0.47 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 2yre h VAL 76 CO 0.00 0.02 -0.19 0.00 0.02 0.00 0.00 177.57 177.42 2yre h ALA 77 N 1.83 -0.28 -0.99 1.67 0.00 -1.86 0.25 119.26 119.90 2yre h ALA 77 Ca 0.55 0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.68 2yre h ALA 77 Cb 1.11 1.03 -0.19 0.00 0.00 0.00 0.00 17.79 19.74 2yre h ALA 77 CO -0.74 -0.40 -0.24 0.39 0.00 0.00 0.00 179.25 178.26 2yre n GLU 78 N -3.70 -0.09 0.02 0.00 4.71 -0.71 0.18 120.64 121.05 2yre n GLU 78 Ca 0.00 1.54 -0.12 0.00 -0.01 0.00 0.00 57.16 58.57 2yre n GLU 78 Cb 0.10 -2.30 -0.07 0.00 -1.01 0.00 0.00 31.44 28.16 2yre n GLU 78 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2yre h HIS 79 N 0.00 0.04 -1.11 -0.32 -0.00 -0.95 -2.51 115.15 110.30 2yre h HIS 79 Ca 0.48 -0.00 0.32 0.00 -0.00 0.00 0.00 60.37 61.16 2yre h HIS 79 Cb 0.73 -0.01 -0.11 0.00 -0.00 0.00 0.00 27.41 28.02 2yre h HIS 79 CO -0.75 0.09 0.71 -0.07 -0.00 0.00 0.00 177.93 177.90 2yre h LEU 80 N -0.01 0.40 -1.45 0.26 3.38 0.30 0.78 115.31 118.96 2yre h LEU 80 Ca 0.01 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.19 2yre h LEU 80 Cb 0.06 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2yre h LEU 80 CO -0.00 -0.01 0.48 -0.33 0.09 0.00 0.00 178.44 178.67 2yre h GLU 81 N 0.30 0.60 -0.10 1.13 4.39 -0.89 -1.73 114.58 118.29 2yre h GLU 81 Ca 0.67 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.33 2yre h GLU 81 Cb 1.82 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 2yre h GLU 81 CO -0.36 0.40 0.00 0.00 -1.16 0.00 0.00 179.01 177.89 2yre n MET 82 N -4.49 1.99 -2.79 2.33 0.00 0.23 -5.02 117.12 109.36 2yre n MET 82 Ca 0.12 -2.57 -0.41 0.00 0.00 0.00 0.00 57.70 54.84 2yre n MET 82 Cb 0.34 -1.57 -0.03 0.00 0.00 0.00 0.00 33.22 31.96 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 6.82 0.05 -0.00 0.00 0.13 -1.89 -3.03 132.00 134.07 2yre h PRO 84 Ca -0.40 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2yre h PRO 84 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2yre h PRO 84 CO 0.76 0.52 0.13 0.00 -0.23 0.00 0.00 178.00 179.17 2yre h ALA 85 N 0.53 1.14 -0.62 -0.56 0.00 -1.93 -1.94 119.26 115.88 2yre h ALA 85 Ca 0.00 -0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.47 2yre h ALA 85 Cb 0.51 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.12 2yre h ALA 85 CO 0.00 -0.13 0.55 0.45 0.00 0.00 0.00 179.25 180.12 2yre n SER 86 N -3.03 6.81 -0.22 0.00 2.88 -1.14 -4.72 113.62 114.20 2yre n SER 86 Ca -0.03 -3.28 0.17 0.00 -1.33 0.00 0.00 58.87 54.41 2yre n SER 86 Cb 0.19 -1.06 0.32 0.00 -0.75 0.00 0.00 64.21 62.91 2yre n SER 86 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2yre n VAL 87 N 0.08 -0.28 -3.64 2.46 0.24 -0.73 -4.39 118.33 112.07 2yre n VAL 87 Ca 0.41 1.37 -0.06 0.00 -2.04 0.00 0.00 64.34 64.02 2yre n VAL 87 Cb 0.58 -2.15 -0.07 0.00 -1.47 0.00 0.00 33.84 30.74 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 -4.79 -0.50 0.00 -1.34 0.15 -1.26 -5.13 113.70 100.83 2yre s SER 88 Ca -0.07 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.46 2yre s SER 88 Cb 0.21 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 2yre s SER 88 CO 0.51 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2yre n GLY 89 N 2.97 -0.98 0.00 9.45 0.00 -1.26 -4.96 105.19 110.42 2yre n GLY 89 Ca -0.15 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 45.90 2yre n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yre n PRO 90 N 0.00 0.49 -1.53 1.61 -0.04 -1.26 -4.76 135.00 129.51 2yre n PRO 90 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2yre n PRO 90 Cb 0.00 -1.46 -0.13 0.00 -0.04 0.00 0.00 33.50 31.88 2yre n PRO 90 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yre n SER 91 N -0.96 0.64 -3.63 3.54 7.64 -1.26 -4.79 113.62 114.81 2yre n SER 91 Ca 0.11 -0.58 -0.07 0.00 1.01 0.00 0.00 58.87 59.34 2yre n SER 91 Cb 0.05 -1.15 -0.06 0.00 -1.01 0.00 0.00 64.21 62.04 2yre n SER 91 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yre s SER 92 N 7.78 -0.31 0.00 6.43 0.15 -1.26 -5.05 113.70 121.45 2yre s SER 92 Ca 1.16 0.54 0.00 0.00 0.70 0.00 0.00 55.95 58.35 2yre s SER 92 Cb -0.63 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 2yre s SER 92 CO 0.36 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.27