#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yre n SER -5 N 0.00 1.33 -3.58 1.61 7.64 -1.26 -5.13 113.62 114.22 2yre n SER -5 Ca 0.00 0.19 -0.06 0.00 1.01 0.00 0.00 58.87 60.01 2yre n SER -5 Cb 0.00 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.73 2yre n SER -5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yre s SER -4 N -5.96 -0.20 0.00 6.43 0.01 -1.26 -5.15 113.70 107.57 2yre s SER -4 Ca -0.08 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2yre s SER -4 Cb 0.01 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.43 2yre s SER -4 CO 0.11 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2yre n GLY -3 N 0.11 -1.03 3.37 3.44 0.00 -1.26 -5.18 105.19 104.65 2yre n GLY -3 Ca -0.03 0.88 -0.15 0.00 0.00 0.00 0.00 46.02 46.72 2yre n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yre s SER -2 N 0.00 -0.40 -0.29 1.61 0.01 -1.26 -5.17 113.70 108.20 2yre s SER -2 Ca 0.00 0.25 -0.18 0.00 1.31 0.00 0.00 55.95 57.33 2yre s SER -2 Cb 0.00 0.44 0.15 0.00 0.21 0.00 0.00 66.02 66.83 2yre s SER -2 CO 0.00 -0.61 1.06 -0.94 0.41 0.00 0.00 173.24 173.16 2yre s SER -1 N -1.62 -0.40 -0.27 2.44 1.04 -1.26 -5.16 113.70 108.47 2yre s SER -1 Ca -0.09 0.66 -0.08 0.00 0.48 0.00 0.00 55.95 56.92 2yre s SER -1 Cb -0.02 1.04 0.12 0.00 0.10 0.00 0.00 66.02 67.27 2yre s SER -1 CO 0.03 -0.11 0.58 -0.83 0.98 0.00 0.00 173.24 173.89 2yre s GLY 0 N 1.00 -0.65 -0.08 7.32 0.00 -1.26 -5.14 107.32 108.51 2yre s GLY 0 Ca -0.05 2.07 -0.01 0.00 0.00 0.00 0.00 44.72 46.73 2yre s GLY 0 CO -0.13 2.92 -0.01 1.06 0.00 0.00 0.00 173.10 176.94 2yre s MET 1 N 2.82 0.76 -0.02 2.90 1.00 -1.26 -5.14 119.30 120.37 2yre s MET 1 Ca -0.03 0.04 -0.11 0.00 0.00 0.00 0.00 55.69 55.59 2yre s MET 1 Cb -0.12 -1.05 0.01 0.00 0.00 0.00 0.00 34.83 33.67 2yre s MET 1 CO -0.18 -0.28 0.23 -1.21 0.00 0.00 0.00 175.02 173.59 2yre s GLU 2 N 1.83 0.56 -0.08 2.03 2.02 -1.26 -5.16 118.70 118.64 2yre s GLU 2 Ca 0.03 -0.22 0.05 0.00 0.02 0.00 0.00 54.97 54.85 2yre s GLU 2 Cb -0.12 0.24 -0.01 0.00 0.10 0.00 0.00 34.13 34.34 2yre s GLU 2 CO -0.05 -0.14 -0.23 -1.83 0.02 0.00 0.00 175.26 173.03 2yre s GLU 3 N -1.21 2.83 0.80 1.61 4.04 -1.26 -5.13 118.70 120.39 2yre s GLU 3 Ca -0.13 -0.86 -0.11 0.00 0.04 0.00 0.00 54.97 53.91 2yre s GLU 3 Cb -0.06 -2.28 0.07 0.00 0.02 0.00 0.00 34.13 31.89 2yre s GLU 3 CO 0.03 0.30 1.09 -2.00 -1.84 0.00 0.00 175.26 172.83 2yre s GLU 4 N 0.06 2.03 0.42 -4.83 2.12 -1.26 -5.06 118.70 112.18 2yre s GLU 4 Ca -0.10 0.93 0.08 0.00 0.36 0.00 0.00 54.97 56.25 2yre s GLU 4 Cb -0.16 -1.89 0.01 0.00 0.26 0.00 0.00 34.13 32.35 2yre s GLU 4 CO 0.06 -1.73 0.56 -0.51 -0.54 0.00 0.00 175.26 173.10 2yre s LEU 5 N -5.93 3.65 0.00 2.70 2.01 -1.26 -5.13 118.68 114.73 2yre s LEU 5 Ca 0.61 -0.43 -0.10 0.00 0.01 0.00 0.00 54.13 54.23 2yre s LEU 5 Cb -0.16 -2.64 0.19 0.00 0.01 0.00 0.00 46.19 43.58 2yre s LEU 5 CO 0.56 -0.76 1.18 0.00 1.01 0.00 0.00 176.35 178.34 2yre n GLN 6 N -1.84 -0.80 -4.46 1.70 10.64 -1.26 -5.09 117.38 116.27 2yre n GLN 6 Ca 0.08 -2.30 -0.31 0.00 -1.83 0.00 0.00 57.00 52.64 2yre n GLN 6 Cb 0.59 -1.07 -0.17 0.00 -0.86 0.00 0.00 30.24 28.74 2yre n GLN 6 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 2yre s HIS 7 N -3.54 2.36 0.39 2.61 3.76 -1.26 -5.00 115.29 114.62 2yre s HIS 7 Ca 0.71 -1.21 0.21 0.00 -0.15 0.00 0.00 55.06 54.62 2yre s HIS 7 Cb -0.03 -1.66 1.23 0.00 1.11 0.00 0.00 32.58 33.23 2yre s HIS 7 CO 0.49 -0.59 1.66 0.66 -0.85 0.00 0.00 174.74 176.11 2yre h SER 8 N 7.51 0.40 0.01 1.40 4.64 -1.62 0.25 113.55 126.15 2yre h SER 8 Ca -0.34 0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2yre h SER 8 Cb 1.17 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2yre h SER 8 CO 0.54 -0.13 -0.00 -0.74 -0.87 0.00 0.00 176.83 175.62 2yre h HIS 9 N 0.23 -0.01 -0.88 4.77 -0.00 -0.86 -3.28 115.15 115.12 2yre h HIS 9 Ca 0.75 -0.00 0.12 0.00 -0.00 0.00 0.00 60.37 61.24 2yre h HIS 9 Cb 1.99 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 29.27 2yre h HIS 9 CO -0.01 -0.01 -0.44 0.00 -0.00 0.00 0.00 177.93 177.48 2yre h VAL 11 N -0.06 0.16 -0.81 0.00 -1.51 -0.68 0.71 116.25 114.06 2yre h VAL 11 Ca 0.26 -0.04 -0.58 0.00 -1.23 0.00 0.00 66.70 65.11 2yre h VAL 11 Cb 0.55 0.03 -0.39 0.00 -2.13 0.00 0.00 31.29 29.34 2yre h VAL 11 CO -0.90 0.02 -0.41 -0.46 -1.23 0.00 0.00 177.57 174.60 2yre n ASN 12 N -4.73 5.59 -4.01 4.19 0.23 0.27 -4.97 115.26 111.83 2yre n ASN 12 Ca 0.36 -3.76 -0.30 0.00 -0.53 0.00 0.00 54.58 50.35 2yre n ASN 12 Cb 1.35 -0.50 -0.16 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 4.75 0.74 -1.63 0.00 0.24 -1.26 -4.93 118.33 116.23 2yre n VAL 14 Ca -0.16 -0.29 -0.58 0.00 -2.04 0.00 0.00 64.34 61.27 2yre n VAL 14 Cb 0.49 -0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 31.84 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 -2.85 1.40 -0.03 -1.34 7.64 -1.26 -4.87 113.62 112.31 2yre n SER 15 Ca -0.22 1.13 -0.13 0.00 1.01 0.00 0.00 58.87 60.65 2yre n SER 15 Cb 0.75 -1.06 -0.11 0.00 -1.01 0.00 0.00 64.21 62.78 2yre n SER 15 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2yre h ARG 16 N 5.01 -0.01 -1.96 1.43 3.08 -1.95 -3.23 114.38 116.75 2yre h ARG 16 Ca -0.47 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.51 2yre h ARG 16 Cb 1.36 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 2yre h ARG 16 CO 0.83 0.63 -0.02 0.54 -1.07 0.00 0.00 179.97 180.88 2yre n ARG 17 N -4.79 1.26 -2.27 0.04 5.12 -1.26 -4.74 116.66 110.02 2yre n ARG 17 Ca -0.09 -0.34 -0.42 0.00 -1.93 0.00 0.00 57.85 55.07 2yre n ARG 17 Cb 0.32 -1.23 -0.03 0.00 -1.16 0.00 0.00 32.46 30.35 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 4.98 2.65 -3.93 0.00 2.81 -1.26 -4.92 117.12 117.45 2yre n MET 19 Ca 0.12 -4.46 -0.37 0.00 -1.81 0.00 0.00 57.70 51.18 2yre n MET 19 Cb 0.44 -2.09 -0.06 0.00 -0.71 0.00 0.00 33.22 30.79 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 -3.98 5.37 -0.25 2.03 2.01 -1.26 -5.02 115.64 114.54 2yre s THR 20 Ca 0.46 0.16 -0.36 0.00 0.31 0.00 0.00 61.69 62.26 2yre s THR 20 Cb 0.30 -3.34 -0.12 0.00 0.01 0.00 0.00 72.50 69.35 2yre s THR 20 CO -0.12 0.61 1.98 -1.14 -0.69 0.00 0.00 174.62 175.26 2yre n ARG 21 N 2.03 1.46 -2.07 4.92 3.00 -1.26 -4.85 116.66 119.88 2yre n ARG 21 Ca -0.20 0.49 -0.42 0.00 -0.00 0.00 0.00 57.85 57.73 2yre n ARG 21 Cb 0.55 -2.44 -0.03 0.00 0.00 0.00 0.00 32.46 30.54 2yre n ARG 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2yre s PRO 22 N 4.85 3.16 0.39 -0.14 0.04 -1.26 -4.60 135.00 137.43 2yre s PRO 22 Ca 1.01 1.09 0.01 0.00 0.04 0.00 0.00 61.00 63.16 2yre s PRO 22 Cb -0.85 -4.22 -0.02 0.00 0.04 0.00 0.00 34.50 29.45 2yre s PRO 22 CO 0.54 -2.07 0.59 -1.21 0.04 0.00 0.00 177.00 174.89 2yre s GLU 23 N 5.95 3.24 0.00 4.56 0.41 0.72 -4.82 118.70 128.75 2yre s GLU 23 Ca 0.73 -0.51 0.03 0.00 -0.41 0.00 0.00 54.97 54.80 2yre s GLU 23 Cb -0.18 -2.64 0.17 0.00 -1.78 0.00 0.00 34.13 29.70 2yre s GLU 23 CO 0.30 -0.05 0.65 -0.35 -0.49 0.00 0.00 175.26 175.31 2yre n PRO 24 N -1.89 0.49 0.21 0.39 -0.04 -1.26 -4.01 135.00 128.88 2yre n PRO 24 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2yre n PRO 24 Cb 0.57 -1.09 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 -0.01 -1.59 0.00 0.55 0.00 -1.26 -5.01 105.19 97.86 2yre n GLY 25 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.37 0.00 -4.26 -0.61 -0.00 -1.26 -3.83 119.36 106.03 2yre n ILE 26 Ca 0.00 1.48 -0.14 0.00 -0.00 0.00 0.00 62.75 64.09 2yre n ILE 26 Cb 0.00 -2.20 -0.10 0.00 -0.00 0.00 0.00 39.64 37.34 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 -2.56 1.24 0.36 4.38 1.04 -1.26 -0.21 113.70 116.69 2yre s SER 27 Ca 0.00 -1.21 0.03 0.00 0.48 0.00 0.00 55.95 55.25 2yre s SER 27 Cb 0.00 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 2yre s SER 27 CO 0.00 -0.59 0.10 0.00 0.98 0.00 0.00 173.24 173.73 2yre s ASP 29 N -3.52 2.29 0.00 0.00 1.11 -1.26 -4.63 116.67 110.66 2yre s ASP 29 Ca 0.31 1.92 0.04 0.00 0.18 0.00 0.00 52.55 55.00 2yre s ASP 29 Cb 0.06 -2.46 -0.03 0.00 1.07 0.00 0.00 42.92 41.55 2yre s ASP 29 CO 0.15 -3.45 -0.10 -0.76 1.18 0.00 0.00 175.17 172.18 2yre s LEU 30 N -6.79 2.98 0.03 1.23 1.43 -1.26 -2.86 118.68 113.43 2yre s LEU 30 Ca 0.67 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 2yre s LEU 30 Cb -0.23 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 2yre s LEU 30 CO 0.60 0.29 -0.07 0.27 0.23 0.00 0.00 176.35 177.67 2yre s ILE 31 N -0.93 0.48 0.28 -0.59 -5.25 -0.85 -4.83 121.20 109.50 2yre s ILE 31 Ca 0.15 -0.84 -0.25 0.00 -0.99 0.00 0.00 60.65 58.73 2yre s ILE 31 Cb -0.11 -0.52 -0.09 0.00 2.95 0.00 0.00 42.46 44.69 2yre s ILE 31 CO 0.06 -0.26 0.88 -0.83 -1.79 0.00 0.00 174.94 173.00 2yre s GLY 32 N -1.18 2.80 0.16 6.27 0.00 -1.26 -3.04 107.32 111.07 2yre s GLY 32 Ca -0.07 0.43 -0.33 0.00 0.00 0.00 0.00 44.72 44.75 2yre s GLY 32 CO 0.00 0.88 1.20 0.00 0.00 0.00 0.00 173.10 175.18 2yre n PRO 34 N 1.88 0.32 -0.26 0.00 -0.04 -1.26 -1.98 135.00 133.66 2yre n PRO 34 Ca 0.15 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.78 2yre n PRO 34 Cb 0.24 -1.50 0.19 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 -1.17 3.15 -3.56 1.53 4.77 -1.26 -4.96 117.00 115.49 2yre n LEU 35 Ca 0.09 -2.77 -0.24 0.00 -0.03 0.00 0.00 56.01 53.06 2yre n LEU 35 Cb 0.09 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 2yre n LEU 35 CO 0.10 0.68 -0.07 1.33 -1.33 0.00 0.00 177.39 178.10 2yre n VAL 36 N -0.57 -0.42 0.30 4.08 0.24 -0.84 -4.76 118.33 116.35 2yre n VAL 36 Ca 0.16 0.00 0.19 0.00 -2.04 0.00 0.00 64.34 62.65 2yre n VAL 36 Cb 0.69 -0.93 0.90 0.00 -1.47 0.00 0.00 33.84 33.02 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 -0.49 0.65 3.14 0.00 0.00 -1.26 -5.01 105.19 102.22 2yre n GLY 38 Ca -0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 -0.86 -0.32 4.61 0.00 -1.26 -5.10 121.76 116.83 2yre s ALA 39 Ca 0.00 1.23 -0.17 0.00 0.00 0.00 0.00 51.96 53.01 2yre s ALA 39 Cb 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 2yre s ALA 39 CO 0.00 -0.67 0.48 0.08 0.00 0.00 0.00 175.76 175.65 2yre s VAL 40 N 2.44 5.06 0.10 0.00 1.01 -1.26 -3.16 120.40 124.60 2yre s VAL 40 Ca -0.01 0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.45 2yre s VAL 40 Cb -0.12 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2yre s VAL 40 CO -0.11 -0.09 -0.08 0.72 0.00 0.00 0.00 175.10 175.54 2yre s PHE 41 N 2.30 0.98 0.16 5.22 -0.71 -1.17 -4.54 117.98 120.22 2yre s PHE 41 Ca 0.18 -0.80 -0.31 0.00 -1.04 0.00 0.00 56.93 54.96 2yre s PHE 41 Cb -0.16 -0.54 -0.10 0.00 -1.21 0.00 0.00 43.02 41.01 2yre s PHE 41 CO 0.12 -0.07 1.64 -1.01 -1.34 0.00 0.00 175.22 174.56 2yre s HIS 42 N -3.13 2.86 0.22 3.49 3.76 -1.26 -2.01 115.29 119.21 2yre s HIS 42 Ca 0.10 0.46 0.04 0.00 -0.15 0.00 0.00 55.06 55.51 2yre s HIS 42 Cb 0.02 -4.00 0.61 0.00 1.11 0.00 0.00 32.58 30.31 2yre s HIS 42 CO -0.02 -3.81 1.04 -1.13 -0.85 0.00 0.00 174.74 169.97 2yre n SER 43 N 4.36 -0.00 -0.05 1.40 3.41 -1.13 0.22 113.62 121.83 2yre n SER 43 Ca 0.15 1.12 -0.12 0.00 -0.26 0.00 0.00 58.87 59.77 2yre n SER 43 Cb 0.38 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.03 0.00 -0.55 0.00 1.79 0.24 -2.95 116.57 115.13 2yre h LYS 45 Ca 0.05 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.60 2yre h LYS 45 Cb 0.32 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.87 2yre h LYS 45 CO 0.00 0.03 -0.42 0.00 -1.08 0.00 0.00 179.45 177.99 2yre h ALA 46 N 1.97 -0.30 -1.41 3.86 0.00 -0.55 0.70 119.26 123.53 2yre h ALA 46 Ca -0.00 0.11 0.41 0.00 0.00 0.00 0.00 54.91 55.43 2yre h ALA 46 Cb 0.06 0.92 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2yre h ALA 46 CO 0.00 -0.81 1.06 -0.44 0.00 0.00 0.00 179.25 179.07 2yre h ASP 47 N -0.24 0.00 0.20 0.00 3.32 -1.64 0.60 116.42 118.66 2yre h ASP 47 Ca 0.18 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.88 2yre h ASP 47 Cb 0.56 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 2yre h ASP 47 CO -0.67 0.00 -2.07 -0.62 -1.72 0.00 0.00 179.24 174.17 2yre n GLU 48 N -3.99 0.69 0.21 3.56 4.71 0.19 -4.08 120.64 121.94 2yre n GLU 48 Ca 0.31 0.20 0.15 0.00 -0.01 0.00 0.00 57.16 57.81 2yre n GLU 48 Cb 1.51 -1.67 0.61 0.00 -1.01 0.00 0.00 31.44 30.88 2yre n GLU 48 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2yre h HIS 49 N 0.02 0.00 0.00 -0.32 -0.00 0.49 -2.14 115.15 113.20 2yre h HIS 49 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 2yre h HIS 49 Cb 2.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.46 2yre h HIS 49 CO 0.03 0.00 0.00 2.89 -0.00 0.00 0.00 177.93 180.85 2yre n ARG 50 N -2.65 0.15 0.02 5.26 1.85 0.88 -0.74 116.66 121.43 2yre n ARG 50 Ca 0.01 0.04 -0.09 0.00 -1.00 0.00 0.00 57.85 56.82 2yre n ARG 50 Cb 0.25 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.03 2yre n ARG 50 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2yre h LEU 51 N 0.00 0.04 0.00 2.89 -0.00 -1.59 -3.38 115.31 113.27 2yre h LEU 51 Ca 0.00 -0.06 -0.34 0.00 -0.00 0.00 0.00 57.88 57.48 2yre h LEU 51 Cb 0.37 -0.01 -0.06 0.00 -0.00 0.00 0.00 40.66 40.96 2yre h LEU 51 CO 0.00 1.05 -2.28 0.18 -0.00 0.00 0.00 178.44 177.39 2yre n LEU 52 N -3.21 1.67 -3.06 1.67 4.32 -1.18 -5.00 117.00 112.21 2yre n LEU 52 Ca -0.10 -0.07 -0.39 0.00 -0.02 0.00 0.00 56.01 55.43 2yre n LEU 52 Cb 1.01 -0.26 -0.05 0.00 -1.62 0.00 0.00 43.42 42.50 2yre n LEU 52 CO 0.46 0.69 0.32 0.00 -1.22 0.00 0.00 177.39 177.65 2yre h PRO 54 N 1.81 -0.06 -1.01 0.00 0.13 -1.94 -3.20 132.00 127.74 2yre h PRO 54 Ca -0.32 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.06 2yre h PRO 54 Cb 0.98 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.99 2yre h PRO 54 CO 0.43 0.41 0.60 0.74 -0.23 0.00 0.00 178.00 179.95 2yre h PHE 55 N -0.55 1.00 -0.94 1.56 -1.00 -1.92 0.18 116.94 115.27 2yre h PHE 55 Ca -0.01 0.04 -0.64 0.00 2.81 0.00 0.00 57.97 60.17 2yre h PHE 55 Cb 0.49 -0.29 0.10 0.00 3.61 0.00 0.00 35.95 39.86 2yre h PHE 55 CO 0.09 0.06 -0.43 -1.91 -1.61 0.00 0.00 178.31 174.51 2yre n GLU 56 N -4.88 0.00 -2.03 1.51 0.00 -1.21 -4.10 120.64 109.93 2yre n GLU 56 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 57.00 2yre n GLU 56 Cb 0.76 -1.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.17 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 -0.82 3.53 0.08 5.31 3.52 -1.26 -3.70 118.95 125.60 2yre s ARG 57 Ca 0.63 1.56 0.09 0.00 -0.13 0.00 0.00 55.73 57.89 2yre s ARG 57 Cb -0.92 -4.14 -0.03 0.00 -1.56 0.00 0.00 34.95 28.30 2yre s ARG 57 CO 0.53 -1.62 -0.25 0.14 -0.81 0.00 0.00 175.30 173.28 2yre s VAL 58 N 6.20 2.06 0.45 7.11 -7.23 -0.40 -4.91 120.40 123.67 2yre s VAL 58 Ca 0.77 -1.50 -0.23 0.00 -1.81 0.00 0.00 61.98 59.21 2yre s VAL 58 Cb -0.24 -1.79 -0.08 0.00 0.56 0.00 0.00 36.38 34.83 2yre s VAL 58 CO 0.32 0.20 1.17 -2.16 -0.31 0.00 0.00 175.10 174.33 2yre s PRO 59 N -1.57 3.82 0.13 4.82 0.04 -1.26 -2.00 135.00 138.97 2yre s PRO 59 Ca 0.11 1.80 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 2yre s PRO 59 Cb -0.10 -2.46 -0.17 0.00 0.04 0.00 0.00 34.50 31.80 2yre s PRO 59 CO 0.04 -0.51 0.69 0.00 0.04 0.00 0.00 177.00 177.25 2yre h LEU 61 N 1.63 0.29 -3.54 0.00 3.38 -1.93 0.59 115.31 115.74 2yre h LEU 61 Ca -0.35 0.05 -0.41 0.00 0.09 0.00 0.00 57.88 57.26 2yre h LEU 61 Cb 1.39 0.01 -0.22 0.00 0.09 0.00 0.00 40.66 41.93 2yre h LEU 61 CO 0.58 0.06 0.53 0.59 0.09 0.00 0.00 178.44 180.29 2yre n ASN 62 N -4.48 4.68 -0.28 -0.43 3.02 -1.26 -4.62 115.26 111.89 2yre n ASN 62 Ca 0.25 -3.24 0.09 0.00 -0.03 0.00 0.00 54.58 51.65 2yre n ASN 62 Cb 0.97 -0.83 0.23 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.05 -0.14 -0.95 6.41 4.64 -0.09 -0.18 113.55 124.29 2yre h SER 63 Ca 0.46 0.19 0.18 0.00 -0.47 0.00 0.00 61.79 62.15 2yre h SER 63 Cb 1.88 0.29 -0.18 0.00 -0.31 0.00 0.00 62.40 64.08 2yre h SER 63 CO 0.92 -0.15 -0.26 -0.67 -0.87 0.00 0.00 176.83 175.80 2yre n ASP 64 N -5.27 -0.38 -0.31 4.97 -0.08 -1.26 0.14 116.55 114.37 2yre n ASP 64 Ca 0.18 1.64 0.06 0.00 -1.51 0.00 0.00 54.79 55.16 2yre n ASP 64 Cb 0.58 -0.48 0.22 0.00 2.34 0.00 0.00 41.12 43.78 2yre n ASP 64 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2yre h PHE 65 N 0.00 0.86 0.00 -0.67 -1.00 -1.41 -3.45 116.94 111.26 2yre h PHE 65 Ca 0.44 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.25 2yre h PHE 65 Cb 0.68 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.99 2yre h PHE 65 CO -0.75 0.27 0.00 0.41 -1.61 0.00 0.00 178.31 176.63 2yre n GLY 66 N -1.33 0.93 3.55 -1.45 0.00 0.38 -5.10 105.19 102.17 2yre n GLY 66 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 6.86 0.04 -2.09 0.00 -0.04 -1.26 -4.45 135.00 134.06 2yre n PRO 68 Ca 0.03 0.24 -0.42 0.00 -0.04 0.00 0.00 63.50 63.31 2yre n PRO 68 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.92 3.17 -0.04 0.54 0.40 -1.26 -4.98 117.98 112.90 2yre s PHE 69 Ca 0.08 0.89 0.02 0.00 -0.60 0.00 0.00 56.93 57.32 2yre s PHE 69 Cb 0.09 -3.76 0.01 0.00 0.51 0.00 0.00 43.02 39.87 2yre s PHE 69 CO 0.25 -2.67 -0.09 0.95 0.70 0.00 0.00 175.22 174.36 2yre s THR 70 N 0.92 0.80 0.26 0.64 -4.23 -1.26 -2.41 115.64 110.36 2yre s THR 70 Ca 0.65 -0.33 -0.21 0.00 -1.18 0.00 0.00 61.69 60.62 2yre s THR 70 Cb -0.39 -0.73 0.05 0.00 1.34 0.00 0.00 72.50 72.76 2yre s THR 70 CO 0.32 0.26 0.84 0.00 -0.54 0.00 0.00 174.62 175.51 2yre s MET 71 N 0.43 1.68 0.54 3.99 0.23 -0.85 -4.93 119.30 120.39 2yre s MET 71 Ca -0.07 -0.99 -0.22 0.00 -1.03 0.00 0.00 55.69 53.38 2yre s MET 71 Cb -0.11 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.67 2yre s MET 71 CO 0.01 -0.78 1.33 0.00 -2.03 0.00 0.00 175.02 173.55 2yre s ALA 72 N -3.15 2.82 0.22 3.16 0.00 -1.26 -1.28 121.76 122.28 2yre s ALA 72 Ca 0.14 1.27 -0.08 0.00 0.00 0.00 0.00 51.96 53.29 2yre s ALA 72 Cb -0.04 -3.54 0.28 0.00 0.00 0.00 0.00 23.12 19.82 2yre s ALA 72 CO 0.07 -1.28 1.81 0.00 0.00 0.00 0.00 175.76 176.35 2yre h ARG 73 N 1.50 0.68 0.00 0.00 3.08 -0.72 0.41 114.38 119.33 2yre h ARG 73 Ca -0.51 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2yre h ARG 73 Cb 1.29 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2yre h ARG 73 CO 0.57 0.45 0.00 -1.71 -1.07 0.00 0.00 179.97 178.22 2yre n ASN 74 N -4.78 0.00 0.00 7.04 5.15 -1.25 -2.88 115.26 118.54 2yre n ASN 74 Ca 0.10 -1.51 0.00 0.00 -0.60 0.00 0.00 54.58 52.57 2yre n ASN 74 Cb 0.20 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 2yre n ASN 74 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2yre n LYS 75 N -0.61 2.11 -0.22 1.20 3.00 0.69 -4.73 118.16 119.60 2yre n LYS 75 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.37 2yre n LYS 75 Cb 0.02 -0.96 0.13 0.00 0.00 0.00 0.00 35.03 34.22 2yre n LYS 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2yre h VAL 76 N 0.00 0.75 -0.80 3.15 2.07 -0.23 -2.05 116.25 119.14 2yre h VAL 76 Ca 0.00 -0.15 0.22 0.00 0.82 0.00 0.00 66.70 67.59 2yre h VAL 76 Cb 0.47 0.26 -0.15 0.00 -1.52 0.00 0.00 31.29 30.36 2yre h VAL 76 CO 0.00 0.08 0.02 0.00 0.02 0.00 0.00 177.57 177.69 2yre n ALA 77 N -2.48 0.41 -0.01 1.67 0.00 -1.26 0.10 120.51 118.95 2yre n ALA 77 Ca 0.11 0.85 -0.12 0.00 0.00 0.00 0.00 53.44 54.28 2yre n ALA 77 Cb 0.31 -0.63 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 2yre n ALA 77 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2yre h GLU 78 N 0.00 0.07 -0.81 0.00 4.57 -1.72 -2.98 114.58 113.71 2yre h GLU 78 Ca 0.48 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.73 2yre h GLU 78 Cb 1.00 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.53 2yre h GLU 78 CO -0.75 0.34 0.53 1.25 -1.18 0.00 0.00 179.01 179.20 2yre h HIS 79 N -0.22 0.83 -0.65 0.92 2.76 0.69 -0.65 115.15 118.83 2yre h HIS 79 Ca 0.01 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.30 2yre h HIS 79 Cb 0.31 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 2yre h HIS 79 CO 0.03 0.40 0.44 -0.07 -1.30 0.00 0.00 177.93 177.42 2yre h LEU 80 N 0.78 0.45 -1.01 0.26 3.38 -0.49 0.70 115.31 119.39 2yre h LEU 80 Ca 0.37 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 2yre h LEU 80 Cb 0.39 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2yre h LEU 80 CO -0.14 0.27 0.10 -0.33 0.09 0.00 0.00 178.44 178.42 2yre h GLU 81 N 0.50 0.81 -0.28 1.13 5.08 -1.10 -2.75 114.58 117.98 2yre h GLU 81 Ca 0.30 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2yre h GLU 81 Cb 0.52 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2yre h GLU 81 CO -0.09 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 178.67 2yre n MET 82 N -4.26 2.93 -3.49 2.33 0.00 -0.22 -4.99 117.12 109.42 2yre n MET 82 Ca 0.03 -2.88 -0.37 0.00 0.00 0.00 0.00 57.70 54.48 2yre n MET 82 Cb 0.24 -1.86 -0.06 0.00 0.00 0.00 0.00 33.22 31.54 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 5.75 0.23 -0.28 0.00 0.13 -1.88 -3.07 132.00 132.88 2yre h PRO 84 Ca -0.46 -0.12 0.08 0.00 -0.87 0.00 0.00 66.00 64.63 2yre h PRO 84 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2yre h PRO 84 CO 0.69 0.65 0.29 0.00 -0.23 0.00 0.00 178.00 179.39 2yre h ALA 85 N 0.57 1.97 -0.15 -0.56 0.00 -1.94 -1.64 119.26 117.51 2yre h ALA 85 Ca 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2yre h ALA 85 Cb 0.61 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2yre h ALA 85 CO 0.02 -0.43 0.12 0.45 0.00 0.00 0.00 179.25 179.42 2yre n SER 86 N -3.85 5.06 -0.33 0.00 2.88 -1.16 -4.56 113.62 111.67 2yre n SER 86 Ca 0.04 -2.52 0.29 0.00 -1.33 0.00 0.00 58.87 55.35 2yre n SER 86 Cb 0.43 -0.97 0.54 0.00 -0.75 0.00 0.00 64.21 63.46 2yre n SER 86 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2yre h VAL 87 N 0.79 0.11 -2.48 2.46 -1.51 -1.49 -3.38 116.25 110.76 2yre h VAL 87 Ca 0.09 -0.04 -0.54 0.00 -1.23 0.00 0.00 66.70 64.98 2yre h VAL 87 Cb 1.05 -0.02 0.01 0.00 -2.13 0.00 0.00 31.29 30.20 2yre h VAL 87 CO 0.22 0.02 1.16 -0.55 -1.23 0.00 0.00 177.57 177.19 2yre s SER 88 N -4.67 6.53 0.00 4.19 0.15 -1.26 -4.82 113.70 113.82 2yre s SER 88 Ca -0.09 2.52 0.00 0.00 0.70 0.00 0.00 55.95 59.07 2yre s SER 88 Cb 0.32 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 2yre s SER 88 CO 0.78 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2yre n GLY 89 N 4.36 -0.69 3.68 9.45 0.00 -1.26 -5.13 105.19 115.59 2yre n GLY 89 Ca 0.19 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.00 0.53 -0.84 1.61 0.04 -1.26 -4.80 135.00 128.28 2yre s PRO 90 Ca 0.00 0.56 -0.21 0.00 0.04 0.00 0.00 61.00 61.39 2yre s PRO 90 Cb 0.00 -1.75 -0.20 0.00 0.04 0.00 0.00 34.50 32.59 2yre s PRO 90 CO 0.00 -2.67 2.35 0.43 0.04 0.00 0.00 177.00 177.15 2yre n SER 91 N -4.14 0.78 -0.22 6.66 7.64 -1.26 -4.75 113.62 118.33 2yre n SER 91 Ca 0.05 -1.05 0.02 0.00 1.01 0.00 0.00 58.87 58.91 2yre n SER 91 Cb 0.57 -1.28 0.13 0.00 -1.01 0.00 0.00 64.21 62.62 2yre n SER 91 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2yre h SER 92 N 12.73 0.13 0.00 6.43 0.87 -1.94 -3.56 113.55 128.21 2yre h SER 92 Ca -0.01 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2yre h SER 92 Cb 1.08 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2yre h SER 92 CO 1.23 0.06 0.00 0.61 -0.53 0.00 0.00 176.83 178.20