#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 -0.15 -0.20 1.61 0.01 -1.26 -5.19 113.70 108.52 2yre s SER -5 Ca 0.00 -0.39 -0.29 0.00 1.31 0.00 0.00 55.95 56.58 2yre s SER -5 Cb 0.00 0.45 0.14 0.00 0.21 0.00 0.00 66.02 66.82 2yre s SER -5 CO 0.00 -0.83 1.10 -0.94 0.41 0.00 0.00 173.24 172.97 2yre s SER -4 N -2.97 -0.29 0.00 2.44 1.04 -1.26 -5.19 113.70 107.47 2yre s SER -4 Ca 0.13 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2yre s SER -4 Cb -0.01 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2yre s SER -4 CO 0.02 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2yre n GLY -3 N 0.87 2.77 3.47 7.32 0.00 -1.26 -5.18 105.19 113.17 2yre n GLY -3 Ca -0.08 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 2yre n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yre s SER -2 N 0.00 2.47 -0.10 1.61 0.15 -1.26 -5.17 113.70 111.39 2yre s SER -2 Ca 0.00 -1.59 -0.20 0.00 0.70 0.00 0.00 55.95 54.86 2yre s SER -2 Cb 0.00 0.36 0.05 0.00 -1.71 0.00 0.00 66.02 64.72 2yre s SER -2 CO 0.00 -0.85 0.50 -0.94 1.20 0.00 0.00 173.24 173.14 2yre s SER -1 N -3.54 -0.46 0.00 5.45 1.04 -1.26 -5.16 113.70 109.77 2yre s SER -1 Ca 0.29 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.39 2yre s SER -1 Cb 0.04 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.87 2yre s SER -1 CO 0.15 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2yre n GLY 0 N 1.87 3.41 2.79 7.32 0.00 -1.26 -5.15 105.19 114.17 2yre n GLY 0 Ca -0.17 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.87 0.05 -0.08 1.61 1.00 -1.26 -5.14 119.30 114.60 2yre s MET 1 Ca 0.00 0.45 -0.13 0.00 0.00 0.00 0.00 55.69 56.01 2yre s MET 1 Cb 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 34.83 34.23 2yre s MET 1 CO 0.00 -0.39 0.32 -1.83 0.00 0.00 0.00 175.02 173.12 2yre s GLU 2 N 2.27 3.95 -0.29 2.03 -1.05 -1.26 -5.07 118.70 119.28 2yre s GLU 2 Ca 0.04 0.19 -0.17 0.00 -0.15 0.00 0.00 54.97 54.88 2yre s GLU 2 Cb -0.13 -3.29 0.14 0.00 -0.44 0.00 0.00 34.13 30.41 2yre s GLU 2 CO -0.07 0.54 0.98 -2.00 0.95 0.00 0.00 175.26 175.66 2yre s GLU 3 N -0.48 0.39 0.03 -4.83 2.56 -1.26 -5.18 118.70 109.93 2yre s GLU 3 Ca 0.20 0.65 0.02 0.00 0.00 0.00 0.00 54.97 55.83 2yre s GLU 3 Cb -0.14 0.09 -0.02 0.00 2.00 0.00 0.00 34.13 36.05 2yre s GLU 3 CO 0.08 -0.08 -0.06 -2.00 -0.56 0.00 0.00 175.26 172.64 2yre s GLU 4 N 1.26 0.45 0.52 4.30 2.12 -1.26 -5.17 118.70 120.93 2yre s GLU 4 Ca -0.08 -0.57 0.02 0.00 0.36 0.00 0.00 54.97 54.69 2yre s GLU 4 Cb -0.04 -0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.10 2yre s GLU 4 CO -0.14 0.05 0.10 -0.51 -0.54 0.00 0.00 175.26 174.22 2yre s LEU 5 N -1.16 2.36 0.88 2.70 1.43 -1.26 -5.14 118.68 118.49 2yre s LEU 5 Ca -0.07 -1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 51.33 2yre s LEU 5 Cb -0.08 -0.83 0.12 0.00 0.03 0.00 0.00 46.19 45.43 2yre s LEU 5 CO 0.00 -0.94 1.15 0.00 0.23 0.00 0.00 176.35 176.79 2yre s GLN 6 N -3.99 1.40 -0.36 1.70 -2.07 -1.26 -5.04 119.66 110.04 2yre s GLN 6 Ca 0.11 0.26 -0.08 0.00 -1.82 0.00 0.00 55.36 53.83 2yre s GLN 6 Cb 0.00 -1.87 0.05 0.00 -1.09 0.00 0.00 33.01 30.10 2yre s GLN 6 CO 0.07 -2.02 0.16 -1.01 -1.32 0.00 0.00 175.29 171.17 2yre s HIS 7 N -3.35 3.28 0.28 9.60 3.76 -1.26 -4.96 115.29 122.64 2yre s HIS 7 Ca 0.63 -1.37 0.07 0.00 -0.15 0.00 0.00 55.06 54.25 2yre s HIS 7 Cb -0.14 -2.46 0.83 0.00 1.11 0.00 0.00 32.58 31.92 2yre s HIS 7 CO 0.52 -0.74 1.34 0.45 -0.85 0.00 0.00 174.74 175.47 2yre n SER 8 N 4.87 0.04 0.09 1.40 2.88 -1.19 0.11 113.62 121.82 2yre n SER 8 Ca -0.12 1.44 -0.04 0.00 -1.33 0.00 0.00 58.87 58.83 2yre n SER 8 Cb 0.45 -0.59 -0.02 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.23 -0.63 0.66 -0.00 -1.66 -3.10 115.15 110.19 2yre h HIS 9 Ca 0.59 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 61.05 2yre h HIS 9 Cb 1.38 0.08 -0.11 0.00 -0.00 0.00 0.00 27.41 28.75 2yre h HIS 9 CO -0.28 -0.14 -0.43 0.00 -0.00 0.00 0.00 177.93 177.07 2yre h VAL 11 N -0.20 0.21 -0.45 0.00 -1.51 -0.45 0.68 116.25 114.53 2yre h VAL 11 Ca 0.19 0.00 -0.33 0.00 -1.23 0.00 0.00 66.70 65.33 2yre h VAL 11 Cb 0.56 0.34 -0.26 0.00 -2.13 0.00 0.00 31.29 29.80 2yre h VAL 11 CO -0.72 0.00 -0.69 0.59 -1.23 0.00 0.00 177.57 175.52 2yre n ASN 12 N -3.57 3.65 -3.82 4.19 3.02 0.29 -4.94 115.26 114.08 2yre n ASN 12 Ca 0.17 -3.81 -0.30 0.00 -0.03 0.00 0.00 54.58 50.60 2yre n ASN 12 Cb 1.10 -0.42 -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 h VAL 14 N 6.53 0.93 -1.43 0.00 -1.51 -1.91 -3.47 116.25 115.40 2yre h VAL 14 Ca -0.11 -2.40 -0.76 0.00 -1.23 0.00 0.00 66.70 62.20 2yre h VAL 14 Cb 1.02 2.66 0.02 0.00 -2.13 0.00 0.00 31.29 32.86 2yre h VAL 14 CO 0.48 0.75 0.72 -1.20 -1.23 0.00 0.00 177.57 177.09 2yre n SER 15 N -3.81 1.86 0.05 4.19 7.64 -1.26 -4.85 113.62 117.44 2yre n SER 15 Ca -0.27 1.11 -0.13 0.00 1.01 0.00 0.00 58.87 60.59 2yre n SER 15 Cb 0.95 -1.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 2yre n SER 15 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2yre h ARG 16 N 6.02 0.49 -1.17 1.43 -0.00 -1.91 -3.15 114.38 116.09 2yre h ARG 16 Ca -0.47 -0.47 -0.18 0.00 -0.00 0.00 0.00 59.98 58.87 2yre h ARG 16 Cb 1.34 0.12 -0.10 0.00 -0.00 0.00 0.00 29.97 31.33 2yre h ARG 16 CO 0.91 1.11 0.23 -2.13 -0.00 0.00 0.00 179.97 180.09 2yre n ARG 17 N -3.81 1.44 -1.77 0.08 0.63 -1.26 -4.53 116.66 107.43 2yre n ARG 17 Ca -0.06 -0.99 -0.41 0.00 -0.92 0.00 0.00 57.85 55.46 2yre n ARG 17 Cb 0.78 -1.39 -0.01 0.00 0.45 0.00 0.00 32.46 32.29 2yre n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2yre n MET 19 N 1.97 2.34 -3.50 0.00 2.81 -1.26 -4.93 117.12 114.55 2yre n MET 19 Ca 0.07 -3.88 -0.37 0.00 -1.81 0.00 0.00 57.70 51.72 2yre n MET 19 Cb 0.37 -1.77 -0.07 0.00 -0.71 0.00 0.00 33.22 31.04 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 -4.32 5.28 -0.38 2.03 2.01 -1.26 -5.01 115.64 113.99 2yre s THR 20 Ca 0.38 0.56 -0.44 0.00 0.31 0.00 0.00 61.69 62.50 2yre s THR 20 Cb 0.42 -3.65 -0.18 0.00 0.01 0.00 0.00 72.50 69.10 2yre s THR 20 CO -0.07 0.34 1.64 -1.14 -0.69 0.00 0.00 174.62 174.71 2yre n ARG 21 N 3.91 0.51 -2.07 4.92 3.00 -1.26 -4.80 116.66 120.87 2yre n ARG 21 Ca -0.11 0.19 -0.41 0.00 -0.00 0.00 0.00 57.85 57.52 2yre n ARG 21 Cb 0.52 -1.77 -0.03 0.00 0.00 0.00 0.00 32.46 31.18 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 3.11 3.06 -0.10 -0.14 0.04 -1.26 -4.75 135.00 134.95 2yre s PRO 22 Ca 1.01 1.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.00 2yre s PRO 22 Cb -1.30 -4.26 -0.04 0.00 0.04 0.00 0.00 34.50 28.95 2yre s PRO 22 CO 0.74 -2.20 0.10 -2.00 0.04 0.00 0.00 177.00 173.68 2yre s GLU 23 N 6.16 3.30 -0.94 4.56 2.56 0.57 -4.84 118.70 130.07 2yre s GLU 23 Ca 0.71 -0.22 -0.24 0.00 0.00 0.00 0.00 54.97 55.22 2yre s GLU 23 Cb -0.17 -3.07 -0.05 0.00 2.00 0.00 0.00 34.13 32.84 2yre s GLU 23 CO 0.28 0.75 1.95 -1.25 -0.56 0.00 0.00 175.26 176.43 2yre s PRO 24 N -1.03 2.54 0.00 4.30 0.04 -1.26 -1.87 135.00 137.72 2yre s PRO 24 Ca 0.15 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.77 2yre s PRO 24 Cb -0.12 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.33 2yre s PRO 24 CO 0.04 -3.47 0.00 0.41 0.04 0.00 0.00 177.00 174.02 2yre n GLY 25 N 6.70 1.01 0.20 0.56 0.00 -1.26 -4.96 105.19 107.44 2yre n GLY 25 Ca 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 1.45 -3.89 -0.61 -0.00 -1.04 -4.38 119.36 110.89 2yre n ILE 26 Ca 0.00 0.07 -0.11 0.00 -0.00 0.00 0.00 62.75 62.70 2yre n ILE 26 Cb 0.00 -2.18 -0.12 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 -6.18 0.03 0.37 4.38 1.04 -0.78 -1.67 113.70 110.88 2yre s SER 27 Ca -0.28 -0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.12 2yre s SER 27 Cb 0.06 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 2yre s SER 27 CO 0.39 -0.18 0.25 0.00 0.98 0.00 0.00 173.24 174.69 2yre s ASP 29 N -3.97 5.66 0.31 0.00 1.11 -1.26 -4.68 116.67 113.84 2yre s ASP 29 Ca 0.42 2.56 -0.16 0.00 0.18 0.00 0.00 52.55 55.54 2yre s ASP 29 Cb -0.03 -2.62 -0.09 0.00 1.07 0.00 0.00 42.92 41.25 2yre s ASP 29 CO 0.25 -1.29 0.75 -0.76 1.18 0.00 0.00 175.17 175.31 2yre s LEU 30 N -3.32 4.10 -0.01 1.23 1.43 -1.26 -2.92 118.68 117.93 2yre s LEU 30 Ca 0.68 1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 55.11 2yre s LEU 30 Cb -0.35 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 41.84 2yre s LEU 30 CO 0.42 -0.18 0.02 0.27 0.23 0.00 0.00 176.35 177.11 2yre s ILE 31 N -1.92 -0.00 0.29 -0.59 -5.25 -0.27 -4.84 121.20 108.62 2yre s ILE 31 Ca 0.53 0.00 -0.29 0.00 -0.99 0.00 0.00 60.65 59.91 2yre s ILE 31 Cb -0.11 -0.04 -0.09 0.00 2.95 0.00 0.00 42.46 45.17 2yre s ILE 31 CO 0.18 0.00 1.04 -0.83 -1.79 0.00 0.00 174.94 173.53 2yre s GLY 32 N 0.02 3.01 0.11 6.27 0.00 -1.26 -3.04 107.32 112.43 2yre s GLY 32 Ca -0.00 0.76 -0.35 0.00 0.00 0.00 0.00 44.72 45.14 2yre s GLY 32 CO -0.00 1.32 0.98 0.00 0.00 0.00 0.00 173.10 175.40 2yre n PRO 34 N 1.51 0.32 -0.20 0.00 -0.04 -1.26 -2.01 135.00 133.32 2yre n PRO 34 Ca 0.18 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 2yre n PRO 34 Cb 0.18 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.18 2.89 -3.75 1.53 4.77 -1.26 -4.97 117.00 115.03 2yre n LEU 35 Ca 0.09 -2.90 -0.28 0.00 -0.03 0.00 0.00 56.01 52.89 2yre n LEU 35 Cb 0.09 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 2yre n LEU 35 CO 0.10 0.68 -0.08 1.33 -1.33 0.00 0.00 177.39 178.10 2yre n VAL 36 N -0.91 -0.39 0.26 4.08 0.24 -0.85 -4.76 118.33 116.00 2yre n VAL 36 Ca 0.16 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.57 2yre n VAL 36 Cb 0.68 -0.89 0.71 0.00 -1.47 0.00 0.00 33.84 32.87 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 -0.91 0.68 3.35 0.00 0.00 -1.26 -5.04 105.19 102.01 2yre n GLY 38 Ca -0.02 0.00 -0.14 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 -1.19 -1.14 -0.25 4.61 0.00 -1.26 -5.09 121.76 117.44 2yre s ALA 39 Ca 0.00 1.15 -0.04 0.00 0.00 0.00 0.00 51.96 53.07 2yre s ALA 39 Cb 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2yre s ALA 39 CO 0.00 -0.24 -0.02 0.08 0.00 0.00 0.00 175.76 175.58 2yre s VAL 40 N -0.14 3.35 0.20 0.00 1.01 -1.26 -2.60 120.40 120.96 2yre s VAL 40 Ca -0.03 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2yre s VAL 40 Cb -0.03 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 2yre s VAL 40 CO 0.02 0.26 0.03 0.72 0.00 0.00 0.00 175.10 176.13 2yre s PHE 41 N 1.43 1.34 0.19 5.22 -0.71 -1.17 -4.30 117.98 119.99 2yre s PHE 41 Ca 0.03 -1.05 -0.30 0.00 -1.04 0.00 0.00 56.93 54.57 2yre s PHE 41 Cb -0.16 -0.77 -0.08 0.00 -1.21 0.00 0.00 43.02 40.80 2yre s PHE 41 CO -0.02 -0.23 1.19 -1.01 -1.34 0.00 0.00 175.22 173.81 2yre s HIS 42 N -3.66 3.43 0.38 3.49 3.76 -1.26 -1.12 115.29 120.31 2yre s HIS 42 Ca 0.28 1.44 0.22 0.00 -0.15 0.00 0.00 55.06 56.85 2yre s HIS 42 Cb 0.06 -3.42 1.32 0.00 1.11 0.00 0.00 32.58 31.65 2yre s HIS 42 CO 0.07 -1.17 1.60 0.66 -0.85 0.00 0.00 174.74 175.06 2yre h SER 43 N 5.12 0.34 -0.39 1.40 4.64 -1.83 1.36 113.55 124.20 2yre h SER 43 Ca -0.45 0.23 -0.16 0.00 -0.47 0.00 0.00 61.79 60.94 2yre h SER 43 Cb 1.21 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 2yre h SER 43 CO 0.74 -0.35 -0.38 0.00 -0.87 0.00 0.00 176.83 175.97 2yre h LYS 45 N 0.77 0.42 -0.61 0.00 1.79 0.12 -3.31 116.57 115.75 2yre h LYS 45 Ca 0.06 -0.26 0.06 0.00 -2.18 0.00 0.00 60.65 58.33 2yre h LYS 45 Cb 0.98 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.58 2yre h LYS 45 CO 0.09 0.85 -0.36 0.00 -1.08 0.00 0.00 179.45 178.95 2yre n ALA 46 N -2.50 -0.39 -0.32 3.86 0.00 0.11 0.16 120.51 121.43 2yre n ALA 46 Ca -0.03 0.52 0.23 0.00 0.00 0.00 0.00 53.44 54.17 2yre n ALA 46 Cb 0.58 -0.03 0.44 0.00 0.00 0.00 0.00 19.45 20.44 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 -4.56 0.14 0.05 0.00 5.68 -1.25 0.37 116.55 116.99 2yre n ASP 47 Ca 0.01 1.62 -0.20 0.00 -0.50 0.00 0.00 54.79 55.72 2yre n ASP 47 Cb 0.16 -0.70 -0.14 0.00 -1.14 0.00 0.00 41.12 39.30 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 0.36 -0.58 0.11 4.39 0.13 -3.33 114.58 115.66 2yre h GLU 48 Ca 0.71 -0.55 0.11 0.00 0.34 0.00 0.00 59.36 59.97 2yre h GLU 48 Cb 1.74 0.20 -0.09 0.00 -0.10 0.00 0.00 28.75 30.50 2yre h GLU 48 CO -0.82 1.24 0.08 1.25 -1.16 0.00 0.00 179.01 179.60 2yre h HIS 49 N -0.24 0.11 -0.92 4.33 -0.00 0.34 -0.76 115.15 118.01 2yre h HIS 49 Ca -0.14 0.04 0.27 0.00 -0.00 0.00 0.00 60.37 60.53 2yre h HIS 49 Cb 1.64 0.04 -0.15 0.00 -0.00 0.00 0.00 27.41 28.94 2yre h HIS 49 CO 0.18 -0.07 0.33 0.00 -0.00 0.00 0.00 177.93 178.37 2yre h ARG 50 N 0.20 0.22 -0.93 5.26 3.08 -0.88 0.54 114.38 121.88 2yre h ARG 50 Ca 0.30 -0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.53 2yre h ARG 50 Cb 0.45 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.34 2yre h ARG 50 CO -0.42 0.15 0.50 -0.07 -1.07 0.00 0.00 179.97 179.05 2yre h LEU 51 N 0.23 0.57 0.00 3.04 3.38 -1.28 -2.80 115.31 118.45 2yre h LEU 51 Ca 0.61 0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.58 2yre h LEU 51 Cb 1.30 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 2yre h LEU 51 CO -0.66 0.16 -0.68 -0.07 0.09 0.00 0.00 178.44 177.28 2yre h LEU 52 N 0.59 0.00 -5.87 1.67 4.07 -0.19 -3.47 115.31 112.11 2yre h LEU 52 Ca 0.55 -0.61 -0.54 0.00 0.08 0.00 0.00 57.88 57.36 2yre h LEU 52 Cb 0.92 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.68 2yre h LEU 52 CO -0.43 1.20 0.19 0.00 -1.08 0.00 0.00 178.44 178.32 2yre h PRO 54 N 2.44 0.34 -0.96 0.00 0.13 -1.91 -3.19 132.00 128.85 2yre h PRO 54 Ca -0.32 -0.18 0.27 0.00 -0.87 0.00 0.00 66.00 64.91 2yre h PRO 54 Cb 0.92 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.92 2yre h PRO 54 CO 0.50 0.72 0.47 0.74 -0.23 0.00 0.00 178.00 180.21 2yre h PHE 55 N -0.04 0.78 -0.71 1.56 -1.00 -1.93 0.46 116.94 116.07 2yre h PHE 55 Ca 0.02 0.04 -0.57 0.00 2.81 0.00 0.00 57.97 60.28 2yre h PHE 55 Cb 0.66 -0.19 0.03 0.00 3.61 0.00 0.00 35.95 40.06 2yre h PHE 55 CO 0.08 -0.11 0.09 -1.91 -1.61 0.00 0.00 178.31 174.85 2yre n GLU 56 N -5.05 0.00 -1.63 1.51 0.00 -1.21 -4.24 120.64 110.03 2yre n GLU 56 Ca 0.27 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.99 2yre n GLU 56 Cb 0.81 -1.06 -0.03 0.00 0.00 0.00 0.00 31.44 31.15 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 1.25 2.31 -4.48 5.31 3.00 -1.26 -3.37 116.66 119.42 2yre n ARG 57 Ca 0.15 0.76 -0.21 0.00 -0.00 0.00 0.00 57.85 58.55 2yre n ARG 57 Cb 0.05 -3.03 -0.14 0.00 0.00 0.00 0.00 32.46 29.34 2yre n ARG 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2yre s VAL 58 N 6.19 1.11 0.59 5.15 -7.23 0.05 -4.96 120.40 121.29 2yre s VAL 58 Ca 0.96 -0.82 -0.18 0.00 -1.81 0.00 0.00 61.98 60.13 2yre s VAL 58 Cb -0.45 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 2yre s VAL 58 CO 0.41 0.14 1.12 -2.16 -0.31 0.00 0.00 175.10 174.30 2yre s PRO 59 N -0.78 3.14 0.06 4.82 0.04 -1.26 -1.98 135.00 139.05 2yre s PRO 59 Ca 0.03 1.52 -0.37 0.00 0.04 0.00 0.00 61.00 62.22 2yre s PRO 59 Cb -0.07 -1.98 -0.18 0.00 0.04 0.00 0.00 34.50 32.31 2yre s PRO 59 CO 0.00 -1.00 1.15 0.00 0.04 0.00 0.00 177.00 177.20 2yre n LEU 61 N 1.97 0.24 -2.23 0.00 4.77 -1.26 0.16 117.00 120.65 2yre n LEU 61 Ca 0.19 1.44 -0.27 0.00 -0.03 0.00 0.00 56.01 57.34 2yre n LEU 61 Cb 0.15 -0.71 0.04 0.00 -2.33 0.00 0.00 43.42 40.57 2yre n LEU 61 CO 0.61 -1.58 1.39 0.59 -1.33 0.00 0.00 177.39 177.07 2yre n ASN 62 N -4.82 6.99 0.19 -1.43 3.02 -1.26 -4.59 115.26 113.36 2yre n ASN 62 Ca 0.40 -3.40 0.13 0.00 -0.03 0.00 0.00 54.58 51.67 2yre n ASN 62 Cb 1.50 -1.06 0.70 0.00 -0.61 0.00 0.00 39.78 40.31 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 2.02 0.00 -0.48 6.41 4.64 0.12 -1.99 113.55 124.27 2yre h SER 63 Ca 0.44 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.80 2yre h SER 63 Cb 0.77 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.81 2yre h SER 63 CO 1.12 0.00 0.24 0.44 -0.87 0.00 0.00 176.83 177.76 2yre h ASP 64 N 0.00 0.33 -0.82 4.97 3.32 -1.83 -2.15 116.42 120.24 2yre h ASP 64 Ca 0.07 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.24 2yre h ASP 64 Cb 0.31 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.76 2yre h ASP 64 CO -0.00 0.23 0.48 -0.26 -1.72 0.00 0.00 179.24 177.97 2yre h PHE 65 N 0.46 0.87 0.00 4.55 -1.00 -1.74 -3.46 116.94 116.62 2yre h PHE 65 Ca 0.21 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.02 2yre h PHE 65 Cb 0.13 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.42 2yre h PHE 65 CO -0.11 0.38 0.00 0.41 -1.61 0.00 0.00 178.31 177.38 2yre n GLY 66 N -1.32 0.80 3.51 -1.45 0.00 -0.81 -5.10 105.19 100.82 2yre n GLY 66 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 6.60 0.49 -2.73 0.00 -0.04 -1.26 -4.58 135.00 133.48 2yre n PRO 68 Ca -0.01 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.10 2yre n PRO 68 Cb 0.47 -1.50 -0.06 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 -2.00 3.44 -0.07 0.54 0.40 -1.26 -5.05 117.98 113.99 2yre s PHE 69 Ca 0.23 1.69 -0.04 0.00 -0.60 0.00 0.00 56.93 58.21 2yre s PHE 69 Cb 0.11 -2.95 0.03 0.00 0.51 0.00 0.00 43.02 40.72 2yre s PHE 69 CO 0.18 -0.13 0.17 0.95 0.70 0.00 0.00 175.22 177.09 2yre s THR 70 N -1.82 -0.03 0.36 0.64 -4.23 -1.26 -3.04 115.64 106.26 2yre s THR 70 Ca 0.56 0.11 -0.16 0.00 -1.18 0.00 0.00 61.69 61.02 2yre s THR 70 Cb -0.16 -0.26 0.06 0.00 1.34 0.00 0.00 72.50 73.48 2yre s THR 70 CO 0.21 0.04 0.82 0.00 -0.54 0.00 0.00 174.62 175.15 2yre s MET 71 N 0.77 2.14 0.63 3.99 0.23 -0.84 -4.96 119.30 121.26 2yre s MET 71 Ca -0.06 -1.37 -0.19 0.00 -1.03 0.00 0.00 55.69 53.04 2yre s MET 71 Cb -0.07 0.60 -0.02 0.00 -1.53 0.00 0.00 34.83 33.81 2yre s MET 71 CO -0.04 -1.00 1.28 0.00 -2.03 0.00 0.00 175.02 173.23 2yre s ALA 72 N -2.30 2.45 0.53 3.16 0.00 -1.26 -0.77 121.76 123.57 2yre s ALA 72 Ca 0.16 1.18 0.23 0.00 0.00 0.00 0.00 51.96 53.54 2yre s ALA 72 Cb -0.05 -3.53 1.39 0.00 0.00 0.00 0.00 23.12 20.93 2yre s ALA 72 CO 0.11 -1.48 2.05 -0.09 0.00 0.00 0.00 175.76 176.34 2yre h ARG 73 N 0.71 0.00 0.03 0.00 9.65 -0.07 -0.57 114.38 124.13 2yre h ARG 73 Ca -0.51 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.10 2yre h ARG 73 Cb 1.33 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.87 2yre h ARG 73 CO 0.54 0.00 -1.48 -2.95 2.80 0.00 0.00 179.97 178.88 2yre h ASN 74 N 0.00 0.11 -0.25 -3.80 -1.07 -1.90 -3.30 115.58 105.37 2yre h ASN 74 Ca 0.17 -0.17 -0.06 0.00 0.07 0.00 0.00 56.30 56.31 2yre h ASN 74 Cb 0.69 -0.04 -0.03 0.00 -2.07 0.00 0.00 38.32 36.87 2yre h ASN 74 CO -0.00 1.15 0.07 0.29 0.07 0.00 0.00 177.43 179.01 2yre n LYS 75 N -3.25 2.09 0.09 4.14 4.76 -0.27 -3.97 118.16 121.75 2yre n LYS 75 Ca -0.13 -1.10 -0.15 0.00 -2.87 0.00 0.00 58.31 54.07 2yre n LYS 75 Cb 1.02 -1.66 -0.14 0.00 -1.84 0.00 0.00 35.03 32.41 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 1.08 1.48 0.34 -0.18 -1.51 -1.51 -3.35 116.25 112.61 2yre h VAL 76 Ca 0.07 -3.07 -0.02 0.00 -1.23 0.00 0.00 66.70 62.45 2yre h VAL 76 Cb 1.23 2.91 0.00 0.00 -2.13 0.00 0.00 31.29 33.30 2yre h VAL 76 CO 0.24 0.89 -0.16 0.00 -1.23 0.00 0.00 177.57 177.31 2yre h ALA 77 N 0.62 -1.12 -1.15 5.19 0.00 -1.85 0.39 119.26 121.33 2yre h ALA 77 Ca -0.13 -0.10 0.40 0.00 0.00 0.00 0.00 54.91 55.07 2yre h ALA 77 Cb 1.96 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 19.81 2yre h ALA 77 CO 0.19 -1.09 0.74 -0.85 0.00 0.00 0.00 179.25 178.24 2yre n GLU 78 N -3.23 -0.03 0.06 0.00 0.28 -1.26 0.19 120.64 116.64 2yre n GLU 78 Ca -0.06 1.03 -0.22 0.00 -0.16 0.00 0.00 57.16 57.75 2yre n GLU 78 Cb 0.18 -2.03 -0.15 0.00 1.43 0.00 0.00 31.44 30.87 2yre n GLU 78 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2yre h HIS 79 N 0.00 0.62 -0.62 -1.84 6.17 -1.62 -3.33 115.15 114.54 2yre h HIS 79 Ca 0.73 -0.45 0.11 0.00 0.71 0.00 0.00 60.37 61.47 2yre h HIS 79 Cb 2.36 -0.02 -0.04 0.00 2.52 0.00 0.00 27.41 32.22 2yre h HIS 79 CO -0.00 1.52 0.42 -0.07 0.71 0.00 0.00 177.93 180.50 2yre h LEU 80 N -0.16 0.32 -0.27 0.26 3.38 0.64 0.30 115.31 119.78 2yre h LEU 80 Ca -0.27 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2yre h LEU 80 Cb 1.87 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 2yre h LEU 80 CO 0.14 0.18 0.13 -0.33 0.09 0.00 0.00 178.44 178.65 2yre h GLU 81 N 0.35 0.26 -0.55 1.13 4.39 -1.08 -2.54 114.58 116.55 2yre h GLU 81 Ca 0.29 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.84 2yre h GLU 81 Cb 0.66 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.18 2yre h GLU 81 CO -0.08 0.17 0.13 0.00 -1.16 0.00 0.00 179.01 178.08 2yre n MET 82 N -4.98 3.40 -3.28 2.33 0.00 -0.64 -4.98 117.12 108.97 2yre n MET 82 Ca -0.01 -3.05 -0.39 0.00 0.00 0.00 0.00 57.70 54.25 2yre n MET 82 Cb 0.07 -2.08 -0.06 0.00 0.00 0.00 0.00 33.22 31.16 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 4.86 0.66 -1.88 0.00 0.13 -1.88 -3.16 132.00 130.73 2yre h PRO 84 Ca -0.49 -0.35 -0.09 0.00 -0.87 0.00 0.00 66.00 64.21 2yre h PRO 84 Cb 1.21 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2yre h PRO 84 CO 0.65 0.95 0.10 0.00 -0.23 0.00 0.00 178.00 179.47 2yre n ALA 85 N -2.52 4.37 0.00 -0.56 0.00 -1.26 -3.36 120.51 117.18 2yre n ALA 85 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2yre n ALA 85 Cb 0.53 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2yre n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2yre n SER 86 N 1.23 4.16 -3.89 0.00 2.88 -1.19 -4.75 113.62 112.05 2yre n SER 86 Ca 0.09 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.31 2yre n SER 86 Cb 0.53 0.79 -0.06 0.00 -0.75 0.00 0.00 64.21 64.72 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 -1.29 -0.10 -3.89 2.46 0.24 -1.21 -4.85 118.33 109.68 2yre n VAL 87 Ca 0.00 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.34 61.92 2yre n VAL 87 Cb 0.04 -0.44 -0.13 0.00 -1.47 0.00 0.00 33.84 31.84 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 -2.93 4.91 0.84 -1.34 0.15 -1.26 -5.10 113.70 108.97 2yre s SER 88 Ca 0.57 -2.34 -0.12 0.00 0.70 0.00 0.00 55.95 54.77 2yre s SER 88 Cb -0.33 -1.72 0.10 0.00 -1.71 0.00 0.00 66.02 62.35 2yre s SER 88 CO 0.80 -0.41 1.12 -0.83 1.20 0.00 0.00 173.24 175.13 2yre s GLY 89 N 0.98 1.60 0.00 9.45 0.00 -1.26 -4.91 107.32 113.18 2yre s GLY 89 Ca 0.12 -0.39 0.10 0.00 0.00 0.00 0.00 44.72 44.54 2yre s GLY 89 CO -0.05 0.09 1.05 -1.55 0.00 0.00 0.00 173.10 172.64 2yre n PRO 90 N -3.53 0.49 -0.95 2.90 -0.04 -1.26 -4.87 135.00 127.74 2yre n PRO 90 Ca 0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 2yre n PRO 90 Cb 0.58 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 2yre n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yre n SER 91 N -0.83 0.61 -3.83 3.54 2.88 -1.26 -4.90 113.62 109.83 2yre n SER 91 Ca 0.08 0.58 -0.19 0.00 -1.33 0.00 0.00 58.87 58.01 2yre n SER 91 Cb 0.04 -0.58 -0.16 0.00 -0.75 0.00 0.00 64.21 62.75 2yre n SER 91 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yre s SER 92 N 3.13 0.79 0.00 -3.46 0.15 -1.26 -5.24 113.70 107.80 2yre s SER 92 Ca 0.75 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.33 2yre s SER 92 Cb -0.98 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 2yre s SER 92 CO 0.48 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.42