#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpn n PRO 2 N 0.00 1.08 0.00 0.00 -0.02 -1.26 -4.58 135.00 130.22 2bpn n PRO 2 Ca 0.00 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2bpn n PRO 2 Cb 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2bpn n PRO 2 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2bpn n LYS 3 N 3.19 0.00 -3.74 -0.52 5.02 -1.26 -4.89 118.16 115.97 2bpn n LYS 3 Ca 0.21 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.14 2bpn n LYS 3 Cb 0.17 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.08 2bpn n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bpn s ALA 4 N -3.15 3.61 1.00 7.82 0.00 -1.26 -5.08 121.76 124.70 2bpn s ALA 4 Ca 0.00 -3.33 -0.19 0.00 0.00 0.00 0.00 51.96 48.44 2bpn s ALA 4 Cb 0.00 -2.63 -0.15 0.00 0.00 0.00 0.00 23.12 20.34 2bpn s ALA 4 CO 0.00 -2.11 -0.92 -2.30 0.00 0.00 0.00 175.76 170.43 2bpn n PRO 5 N 3.33 -0.03 -2.61 0.00 -0.02 -1.26 -4.93 135.00 129.48 2bpn n PRO 5 Ca 0.09 -0.01 -0.29 0.00 -2.02 0.00 0.00 63.50 61.28 2bpn n PRO 5 Cb 0.37 -1.04 -0.01 0.00 -0.02 0.00 0.00 33.50 32.81 2bpn n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bpn s ALA 6 N -2.02 3.35 1.04 3.55 0.00 -1.26 -4.86 121.76 121.58 2bpn s ALA 6 Ca 0.40 -0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.75 2bpn s ALA 6 Cb -0.12 -2.67 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 2bpn s ALA 6 CO 0.79 -0.29 -0.82 -0.25 0.00 0.00 0.00 175.76 175.18 2bpn n ASP 7 N -2.05 -2.94 0.00 0.00 8.00 -1.26 -4.56 116.55 113.74 2bpn n ASP 7 Ca 0.02 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2bpn n ASP 7 Cb 0.55 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 2bpn n ASP 7 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bpn n GLY 8 N 2.85 1.47 3.61 0.44 0.00 -1.26 -5.08 105.19 107.22 2bpn n GLY 8 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2bpn n GLY 8 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2bpn s LEU 9 N 0.00 3.84 -0.02 0.99 0.05 -1.26 -5.08 118.68 117.20 2bpn s LEU 9 Ca 0.00 0.04 0.01 0.00 0.05 0.00 0.00 54.13 54.23 2bpn s LEU 9 Cb 0.00 -2.00 0.01 0.00 -2.05 0.00 0.00 46.19 42.15 2bpn s LEU 9 CO 0.00 0.11 -0.03 -1.59 -0.55 0.00 0.00 176.35 174.29 2bpn s LYS 10 N 0.77 0.38 -0.40 1.48 0.00 -1.26 -2.03 119.74 118.68 2bpn s LYS 10 Ca 0.05 -0.06 -0.15 0.00 0.00 0.00 0.00 55.97 55.81 2bpn s LYS 10 Cb -0.13 -0.44 0.01 0.00 0.00 0.00 0.00 37.83 37.27 2bpn s LYS 10 CO 0.02 -0.01 0.29 -1.64 0.00 0.00 0.00 175.35 174.01 2bpn s MET 11 N 0.42 3.09 -0.34 1.78 -1.94 0.38 -4.91 119.30 117.78 2bpn s MET 11 Ca -0.04 -0.93 0.16 0.00 -1.71 0.00 0.00 55.69 53.16 2bpn s MET 11 Cb -0.08 -3.94 0.43 0.00 2.01 0.00 0.00 34.83 33.25 2bpn s MET 11 CO -0.01 -0.69 0.90 -0.85 -0.01 0.00 0.00 175.02 174.36 2bpn n GLU 12 N 5.17 1.22 0.12 2.03 0.28 -1.26 0.43 120.64 128.62 2bpn n GLU 12 Ca -0.11 -3.36 0.13 0.00 -0.16 0.00 0.00 57.16 53.65 2bpn n GLU 12 Cb 0.48 -1.42 0.31 0.00 1.43 0.00 0.00 31.44 32.23 2bpn n GLU 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2bpn h ALA 13 N 2.98 0.90 -3.00 -1.84 0.00 -1.92 -3.46 119.26 112.93 2bpn h ALA 13 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2bpn h ALA 13 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2bpn h ALA 13 CO 0.52 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.02 2bpn n THR 14 N -2.39 0.00 -0.25 0.00 -2.24 -1.26 -4.99 114.28 103.15 2bpn n THR 14 Ca 0.05 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 2bpn n THR 14 Cb 0.45 -0.24 0.10 0.00 -2.10 0.00 0.00 70.33 68.54 2bpn n THR 14 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2bpn n LYS 15 N 0.00 1.69 -3.19 -0.78 5.02 -1.26 -4.64 118.16 115.00 2bpn n LYS 15 Ca 0.00 -1.66 0.01 0.00 -2.02 0.00 0.00 58.31 54.64 2bpn n LYS 15 Cb 0.00 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.34 2bpn n LYS 15 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2bpn s GLN 16 N -1.82 0.52 -0.39 1.97 -1.52 -1.26 -5.13 119.66 112.03 2bpn s GLN 16 Ca 0.31 0.67 -0.27 0.00 -1.95 0.00 0.00 55.36 54.13 2bpn s GLN 16 Cb 0.26 0.22 0.02 0.00 -0.22 0.00 0.00 33.01 33.29 2bpn s GLN 16 CO 0.06 -0.84 0.98 -1.25 -0.25 0.00 0.00 175.29 173.98 2bpn s PRO 17 N 2.77 3.81 -0.21 2.91 0.04 -1.26 -4.48 135.00 138.59 2bpn s PRO 17 Ca 0.14 0.59 -0.01 0.00 0.04 0.00 0.00 61.00 61.76 2bpn s PRO 17 Cb -0.13 -3.83 0.02 0.00 0.04 0.00 0.00 34.50 30.60 2bpn s PRO 17 CO -0.24 -1.04 -0.12 0.08 0.04 0.00 0.00 177.00 175.72 2bpn s VAL 18 N 3.68 2.59 0.34 -0.36 1.01 0.17 -4.93 120.40 122.89 2bpn s VAL 18 Ca 0.40 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 2bpn s VAL 18 Cb -0.11 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 2bpn s VAL 18 CO 0.21 0.40 0.78 0.54 0.00 0.00 0.00 175.10 177.03 2bpn s VAL 19 N 1.33 4.60 -0.18 2.92 0.11 -1.26 -0.47 120.40 127.46 2bpn s VAL 19 Ca 0.03 1.11 -0.06 0.00 -2.93 0.00 0.00 61.98 60.14 2bpn s VAL 19 Cb -0.15 -3.64 0.09 0.00 -1.53 0.00 0.00 36.38 31.15 2bpn s VAL 19 CO -0.08 -0.17 0.35 0.12 -3.33 0.00 0.00 175.10 171.99 2bpn s PHE 20 N -1.98 -0.65 -0.18 1.54 2.19 -0.86 -4.93 117.98 113.10 2bpn s PHE 20 Ca 0.55 1.23 -0.08 0.00 0.33 0.00 0.00 56.93 58.96 2bpn s PHE 20 Cb -0.11 0.14 -0.04 0.00 -1.31 0.00 0.00 43.02 41.70 2bpn s PHE 20 CO 0.17 -0.46 0.07 -0.80 1.83 0.00 0.00 175.22 176.03 2bpn s ASN 21 N 2.53 5.71 0.63 6.13 -0.87 -1.26 -4.37 114.94 123.44 2bpn s ASN 21 Ca 0.01 0.10 0.36 0.00 -1.57 0.00 0.00 52.86 51.76 2bpn s ASN 21 Cb -0.12 -1.98 2.06 0.00 -0.02 0.00 0.00 41.25 41.19 2bpn s ASN 21 CO -0.11 0.18 2.27 0.45 -2.57 0.00 0.00 177.10 177.32 2bpn h HIS 22 N 6.66 0.00 -0.42 2.20 3.86 -1.89 -0.18 115.15 125.38 2bpn h HIS 22 Ca -0.38 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.76 2bpn h HIS 22 Cb 1.17 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.62 2bpn h HIS 22 CO 0.56 0.00 -0.03 0.66 0.86 0.00 0.00 177.93 179.98 2bpn h SER 23 N 0.00 0.67 -0.02 2.45 4.64 -1.93 0.38 113.55 119.75 2bpn h SER 23 Ca 0.01 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2bpn h SER 23 Cb 0.10 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2bpn h SER 23 CO -0.00 0.76 0.00 0.35 -0.87 0.00 0.00 176.83 177.07 2bpn n THR 24 N -4.22 0.02 -2.70 2.95 -2.24 -0.09 -3.81 114.28 104.20 2bpn n THR 24 Ca 0.02 -0.12 -0.08 0.00 -2.27 0.00 0.00 64.05 61.60 2bpn n THR 24 Cb 0.30 -0.05 0.07 0.00 -2.10 0.00 0.00 70.33 68.55 2bpn n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2bpn n HIS 25 N -0.44 -0.59 0.72 4.78 8.25 -0.39 -4.88 115.22 122.67 2bpn n HIS 25 Ca 0.20 -2.43 0.08 0.00 -0.26 0.00 0.00 57.72 55.31 2bpn n HIS 25 Cb 0.21 0.55 0.01 0.00 1.12 0.00 0.00 29.99 31.87 2bpn n HIS 25 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2bpn n LYS 26 N -0.27 1.62 -1.03 -0.41 2.85 0.12 -4.28 118.16 116.77 2bpn n LYS 26 Ca 0.04 -0.92 -0.11 0.00 -1.05 0.00 0.00 58.31 56.28 2bpn n LYS 26 Cb 0.82 -1.29 0.25 0.00 -0.65 0.00 0.00 35.03 34.16 2bpn n LYS 26 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2bpn n SER 27 N 0.04 4.08 -4.03 -5.58 7.64 -1.26 -4.91 113.62 109.59 2bpn n SER 27 Ca 0.07 -3.42 -0.17 0.00 1.01 0.00 0.00 58.87 56.36 2bpn n SER 27 Cb 0.35 -0.75 -0.14 0.00 -1.01 0.00 0.00 64.21 62.67 2bpn n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2bpn s VAL 28 N -3.13 0.69 0.32 0.44 1.01 -1.26 -5.12 120.40 113.35 2bpn s VAL 28 Ca 0.53 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 2bpn s VAL 28 Cb 0.44 -0.61 -0.11 0.00 0.00 0.00 0.00 36.38 36.10 2bpn s VAL 28 CO 0.10 0.06 1.58 -0.75 0.00 0.00 0.00 175.10 176.09 2bpn s LYS 29 N -0.55 4.11 0.58 2.72 2.20 -1.26 -4.84 119.74 122.69 2bpn s LYS 29 Ca 0.01 2.59 0.27 0.00 -0.36 0.00 0.00 55.97 58.48 2bpn s LYS 29 Cb -0.05 -3.01 1.67 0.00 -1.51 0.00 0.00 37.83 34.94 2bpn s LYS 29 CO 0.00 -0.62 2.20 0.00 -0.36 0.00 0.00 175.35 176.57 2bpn n GLY 31 N -1.39 -0.89 0.10 0.00 0.00 -1.26 0.13 105.19 101.88 2bpn n GLY 31 Ca -0.02 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 2bpn n GLY 31 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2bpn h ASP 32 N 0.00 0.32 0.00 1.61 1.82 -0.31 -3.36 116.42 116.50 2bpn h ASP 32 Ca 0.00 -0.41 -0.34 0.00 -0.39 0.00 0.00 57.03 55.89 2bpn h ASP 32 Cb 0.16 -0.10 -0.05 0.00 0.68 0.00 0.00 39.33 40.01 2bpn h ASP 32 CO 0.00 1.34 -2.12 0.00 -1.61 0.00 0.00 179.24 176.84 2bpn s HIS 34 N -2.37 3.59 0.65 0.00 3.76 0.34 -5.02 115.29 116.24 2bpn s HIS 34 Ca -0.28 -2.21 -0.15 0.00 -0.15 0.00 0.00 55.06 52.27 2bpn s HIS 34 Cb 0.11 -4.27 -0.00 0.00 1.11 0.00 0.00 32.58 29.52 2bpn s HIS 34 CO 0.36 -1.35 1.11 -3.38 -0.85 0.00 0.00 174.74 170.63 2bpn s HIS 35 N 1.27 2.64 -0.16 1.40 -3.43 -1.26 -4.08 115.29 111.67 2bpn s HIS 35 Ca 0.42 1.55 -0.29 0.00 -0.80 0.00 0.00 55.06 55.93 2bpn s HIS 35 Cb -0.04 -3.16 -0.01 0.00 -1.43 0.00 0.00 32.58 27.94 2bpn s HIS 35 CO -0.01 -1.65 1.25 -1.25 -2.00 0.00 0.00 174.74 171.08 2bpn s PRO 36 N -4.07 4.24 0.10 -0.38 0.04 -1.26 -3.25 135.00 130.41 2bpn s PRO 36 Ca 0.67 1.65 0.08 0.00 0.04 0.00 0.00 61.00 63.44 2bpn s PRO 36 Cb -0.20 -3.75 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 2bpn s PRO 36 CO 0.41 -0.69 -0.15 0.08 0.04 0.00 0.00 177.00 176.69 2bpn s VAL 37 N 3.39 3.04 -0.13 -0.36 1.01 -1.19 -4.56 120.40 121.59 2bpn s VAL 37 Ca 0.54 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2bpn s VAL 37 Cb -0.22 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.78 2bpn s VAL 37 CO 0.15 0.15 0.00 0.59 0.00 0.00 0.00 175.10 175.99 2bpn n ASN 38 N 0.91 -1.27 -2.86 3.32 5.03 -1.26 0.47 115.26 119.60 2bpn n ASN 38 Ca -0.15 0.42 -0.12 0.00 0.87 0.00 0.00 54.58 55.61 2bpn n ASN 38 Cb 0.52 -1.24 0.06 0.00 -1.02 0.00 0.00 39.78 38.10 2bpn n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bpn n GLY 39 N -0.49 -0.65 3.15 7.41 0.00 -1.26 -5.02 105.19 108.32 2bpn n GLY 39 Ca -0.02 0.36 0.06 0.00 0.00 0.00 0.00 46.02 46.42 2bpn n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bpn s LYS 40 N -4.16 0.00 -0.22 1.61 2.20 0.18 -5.12 119.74 114.22 2bpn s LYS 40 Ca 0.32 0.00 -0.33 0.00 -0.36 0.00 0.00 55.97 55.61 2bpn s LYS 40 Cb -0.04 0.00 -0.15 0.00 -1.51 0.00 0.00 37.83 36.13 2bpn s LYS 40 CO 0.57 -0.00 1.03 0.39 -0.36 0.00 0.00 175.35 176.98 2bpn n GLU 41 N 5.15 0.00 -4.67 4.03 1.02 -1.26 -3.19 120.64 121.71 2bpn n GLU 41 Ca 0.05 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.86 2bpn n GLU 41 Cb 0.58 -1.11 -0.12 0.00 -0.02 0.00 0.00 31.44 30.77 2bpn n GLU 41 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2bpn s ASP 42 N 1.34 4.32 -0.05 1.62 -1.08 -1.20 -4.86 116.67 116.75 2bpn s ASP 42 Ca 0.74 -0.17 0.10 0.00 -0.52 0.00 0.00 52.55 52.70 2bpn s ASP 42 Cb -1.04 -0.96 0.18 0.00 -1.46 0.00 0.00 42.92 39.63 2bpn s ASP 42 CO 0.53 0.32 1.08 -1.22 0.52 0.00 0.00 175.17 176.41 2bpn n TYR 43 N 1.97 0.00 -2.60 -5.34 4.02 -1.26 -4.43 117.16 109.52 2bpn n TYR 43 Ca -0.17 -0.44 -0.22 0.00 -0.01 0.00 0.00 57.90 57.06 2bpn n TYR 43 Cb 0.52 -0.11 0.06 0.00 -0.02 0.00 0.00 39.34 39.80 2bpn n TYR 43 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2bpn s ARG 44 N -0.93 2.25 0.12 -0.72 0.52 -1.26 -4.54 118.95 114.40 2bpn s ARG 44 Ca 0.17 -0.86 -0.28 0.00 -0.52 0.00 0.00 55.73 54.23 2bpn s ARG 44 Cb 0.16 -2.42 -0.16 0.00 0.52 0.00 0.00 34.95 33.05 2bpn s ARG 44 CO -0.03 -0.97 0.62 1.63 0.02 0.00 0.00 175.30 176.57 2bpn n LYS 45 N -2.53 0.00 -0.13 3.54 5.02 -1.26 -4.81 118.16 117.99 2bpn n LYS 45 Ca 0.10 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.31 2bpn n LYS 45 Cb 0.60 -1.03 -0.00 0.00 -0.02 0.00 0.00 35.03 34.58 2bpn n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bpn n GLY 47 N -1.01 0.48 1.19 0.00 0.00 -1.26 -3.85 105.19 100.74 2bpn n GLY 47 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2bpn n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bpn n THR 48 N -0.25 -0.18 -3.07 2.61 -1.04 -1.26 -2.94 114.28 108.16 2bpn n THR 48 Ca 0.00 0.44 -0.41 0.00 -2.04 0.00 0.00 64.05 62.04 2bpn n THR 48 Cb 0.00 -0.79 -0.06 0.00 -1.82 0.00 0.00 70.33 67.66 2bpn n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bpn s ALA 49 N -3.56 3.60 0.00 2.41 0.00 -1.26 -3.60 121.76 119.35 2bpn s ALA 49 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2bpn s ALA 49 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2bpn s ALA 49 CO 0.00 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2bpn n GLY 50 N 4.13 2.25 0.00 0.00 0.00 -1.26 -5.05 105.19 105.25 2bpn n GLY 50 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2bpn n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn n HIS 52 N 0.00 1.44 -1.27 0.00 8.25 -1.15 -4.57 115.22 117.91 2bpn n HIS 52 Ca 0.00 -0.62 -0.02 0.00 -0.26 0.00 0.00 57.72 56.82 2bpn n HIS 52 Cb 0.00 -2.50 0.22 0.00 1.12 0.00 0.00 29.99 28.83 2bpn n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2bpn n ASP 53 N 17.51 3.14 -4.51 0.41 5.75 -1.25 -4.16 116.55 133.45 2bpn n ASP 53 Ca 0.43 -3.50 -0.39 0.00 -0.01 0.00 0.00 54.79 51.32 2bpn n ASP 53 Cb 0.46 -0.63 -0.11 0.00 -1.03 0.00 0.00 41.12 39.81 2bpn n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2bpn s SER 54 N -2.16 5.75 -0.44 -1.12 0.15 -1.20 -4.98 113.70 109.70 2bpn s SER 54 Ca 0.46 -0.30 0.10 0.00 0.70 0.00 0.00 55.95 56.90 2bpn s SER 54 Cb 0.40 -2.06 0.36 0.00 -1.71 0.00 0.00 66.02 63.01 2bpn s SER 54 CO 0.04 -0.14 0.84 0.23 1.20 0.00 0.00 173.24 175.42 2bpn n MET 55 N 5.03 1.89 -1.29 5.44 2.81 -1.26 -2.15 117.12 127.59 2bpn n MET 55 Ca -0.14 -3.94 0.00 0.00 -1.81 0.00 0.00 57.70 51.81 2bpn n MET 55 Cb 0.50 -1.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 2bpn n MET 55 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2bpn n ASP 56 N 0.03 1.10 -3.87 7.83 2.03 -1.26 -5.12 116.55 117.30 2bpn n ASP 56 Ca 0.27 -0.65 -0.30 0.00 0.52 0.00 0.00 54.79 54.63 2bpn n ASP 56 Cb 0.58 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.84 2bpn n ASP 56 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2bpn s LYS 57 N -0.94 1.51 0.00 -0.67 2.36 -1.26 -4.85 119.74 115.88 2bpn s LYS 57 Ca 0.00 -2.08 0.00 0.00 -2.55 0.00 0.00 55.97 51.34 2bpn s LYS 57 Cb 0.00 -2.84 0.00 0.00 -1.05 0.00 0.00 37.83 33.94 2bpn s LYS 57 CO 0.00 -1.07 0.00 1.63 1.55 0.00 0.00 175.35 177.46 2bpn n LYS 58 N 3.71 0.00 -1.60 4.03 4.76 -1.26 -5.12 118.16 122.68 2bpn n LYS 58 Ca 0.05 0.00 -0.51 0.00 -2.87 0.00 0.00 58.31 54.98 2bpn n LYS 58 Cb 0.36 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.50 2bpn n LYS 58 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2bpn n ASP 59 N 0.00 1.88 0.00 4.39 2.03 -1.26 -4.84 116.55 118.75 2bpn n ASP 59 Ca 0.00 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.43 2bpn n ASP 59 Cb 0.00 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 2bpn n ASP 59 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2bpn n LYS 60 N 2.58 1.61 0.00 -0.67 5.02 -1.26 -4.61 118.16 120.82 2bpn n LYS 60 Ca 0.18 -1.04 0.00 0.00 -2.02 0.00 0.00 58.31 55.43 2bpn n LYS 60 Cb 0.22 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 2bpn n LYS 60 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2bpn n SER 61 N -0.28 -0.70 0.00 4.39 2.88 -1.26 -4.60 113.62 114.05 2bpn n SER 61 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2bpn n SER 61 Cb 0.32 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.43 2bpn n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bpn n ALA 62 N -2.75 2.29 -0.00 -1.46 0.00 -1.26 -2.26 120.51 115.06 2bpn n ALA 62 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 2bpn n ALA 62 Cb 0.00 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 17.93 2bpn n ALA 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2bpn h LYS 63 N 0.00 0.01 -6.17 0.00 1.57 -1.92 -3.43 116.57 106.64 2bpn h LYS 63 Ca 0.00 -0.02 -0.65 0.00 -1.87 0.00 0.00 60.65 58.11 2bpn h LYS 63 Cb 0.11 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.44 2bpn h LYS 63 CO 0.00 0.62 1.17 0.41 -0.57 0.00 0.00 179.45 181.08 2bpn n GLY 64 N 1.52 1.11 0.29 3.86 0.00 -0.96 -3.20 105.19 107.81 2bpn n GLY 64 Ca -0.14 0.89 -0.11 0.00 0.00 0.00 0.00 46.02 46.66 2bpn n GLY 64 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bpn h TYR 65 N 10.01 -0.66 0.00 1.61 3.20 -1.70 -1.58 116.97 127.85 2bpn h TYR 65 Ca -0.43 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2bpn h TYR 65 Cb 1.29 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.78 2bpn h TYR 65 CO 0.88 -0.41 0.00 2.48 -1.64 0.00 0.00 178.16 179.48 2bpn n TYR 66 N -4.30 0.00 0.04 -3.82 0.18 -1.26 -1.09 117.16 106.90 2bpn n TYR 66 Ca -0.09 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.64 2bpn n TYR 66 Cb 0.28 -0.41 -0.11 0.00 -0.38 0.00 0.00 39.34 38.72 2bpn n TYR 66 CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 2bpn h HIS 67 N 0.00 0.00 -0.53 -3.48 2.76 -1.83 -3.07 115.15 109.01 2bpn h HIS 67 Ca 0.00 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.02 2bpn h HIS 67 Cb 0.11 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 28.98 2bpn h HIS 67 CO 0.00 0.89 0.20 1.33 -1.30 0.00 0.00 177.93 179.05 2bpn n VAL 68 N -3.17 2.20 -2.10 5.26 0.24 -0.25 -3.58 118.33 116.91 2bpn n VAL 68 Ca -0.07 -1.13 -0.06 0.00 -2.04 0.00 0.00 64.34 61.04 2bpn n VAL 68 Cb 0.94 -0.47 -0.04 0.00 -1.47 0.00 0.00 33.84 32.80 2bpn n VAL 68 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 2bpn n MET 69 N -0.03 0.18 0.00 7.34 -0.00 -1.22 -4.79 117.12 118.61 2bpn n MET 69 Ca 0.29 -1.07 0.00 0.00 -0.00 0.00 0.00 57.70 56.92 2bpn n MET 69 Cb 1.09 0.47 0.00 0.00 -0.00 0.00 0.00 33.22 34.78 2bpn n MET 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2bpn n HIS 70 N -0.18 -0.58 -1.40 3.17 -0.00 -1.16 -4.07 115.22 110.99 2bpn n HIS 70 Ca -0.26 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.06 2bpn n HIS 70 Cb 0.74 0.14 0.01 0.00 -0.00 0.00 0.00 29.99 30.88 2bpn n HIS 70 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2bpn n ASP 71 N -1.41 -1.65 -0.11 0.41 -0.08 -1.24 -3.46 116.55 109.01 2bpn n ASP 71 Ca 0.00 0.81 0.06 0.00 -1.51 0.00 0.00 54.79 54.15 2bpn n ASP 71 Cb 0.00 -1.05 -0.04 0.00 2.34 0.00 0.00 41.12 42.37 2bpn n ASP 71 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2bpn n LYS 72 N 0.68 2.71 -1.10 -0.67 2.85 -1.26 -4.49 118.16 116.88 2bpn n LYS 72 Ca 0.11 -0.27 -0.19 0.00 -1.05 0.00 0.00 58.31 56.90 2bpn n LYS 72 Cb 0.43 -1.08 -0.01 0.00 -0.65 0.00 0.00 35.03 33.71 2bpn n LYS 72 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2bpn n ASN 73 N -0.84 6.35 -4.64 -5.58 3.02 -1.26 -4.88 115.26 107.42 2bpn n ASN 73 Ca 0.03 -3.05 -0.25 0.00 -0.03 0.00 0.00 54.58 51.28 2bpn n ASN 73 Cb 0.21 -1.15 -0.08 0.00 -0.61 0.00 0.00 39.78 38.15 2bpn n ASN 73 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2bpn s THR 74 N -1.97 2.59 0.26 3.41 -4.23 -1.26 -5.03 115.64 109.40 2bpn s THR 74 Ca 0.42 -1.94 -0.05 0.00 -1.18 0.00 0.00 61.69 58.94 2bpn s THR 74 Cb 0.29 -2.83 0.26 0.00 1.34 0.00 0.00 72.50 71.56 2bpn s THR 74 CO -0.08 -0.17 1.93 0.50 -0.54 0.00 0.00 174.62 176.25 2bpn h LYS 75 N 1.77 1.29 -6.16 3.99 1.63 -1.98 -3.43 116.57 113.68 2bpn h LYS 75 Ca -0.43 -0.08 -0.56 0.00 -0.85 0.00 0.00 60.65 58.73 2bpn h LYS 75 Cb 1.25 -0.29 -0.09 0.00 -0.60 0.00 0.00 32.23 32.50 2bpn h LYS 75 CO 0.68 0.86 -0.62 -0.06 -3.45 0.00 0.00 179.45 176.86 2bpn s PHE 76 N -6.07 2.68 0.75 1.91 0.08 -1.26 -5.12 117.98 110.95 2bpn s PHE 76 Ca -0.13 -0.28 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 2bpn s PHE 76 Cb 0.18 -1.32 0.05 0.00 -0.57 0.00 0.00 43.02 41.36 2bpn s PHE 76 CO 0.82 0.55 1.10 0.15 -0.10 0.00 0.00 175.22 177.73 2bpn s LYS 77 N -3.71 2.34 0.00 0.44 1.02 -1.26 -4.93 119.74 113.63 2bpn s LYS 77 Ca 0.33 1.24 0.00 0.00 0.02 0.00 0.00 55.97 57.56 2bpn s LYS 77 Cb -0.05 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 2bpn s LYS 77 CO 0.20 -1.59 0.00 -1.13 -0.92 0.00 0.00 175.35 171.92 2bpn n SER 78 N -3.28 0.00 -0.09 2.83 3.41 -1.26 -4.91 113.62 110.31 2bpn n SER 78 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.58 2bpn n SER 78 Cb 0.53 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 2bpn n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bpn h VAL 80 N 0.00 1.59 0.00 0.00 2.07 -1.74 -3.19 116.25 114.98 2bpn h VAL 80 Ca -0.41 -3.27 0.00 0.00 0.82 0.00 0.00 66.70 63.84 2bpn h VAL 80 Cb 1.64 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 34.25 2bpn h VAL 80 CO -0.06 0.92 0.00 0.61 0.02 0.00 0.00 177.57 179.06 2bpn n GLY 81 N 1.42 -2.54 0.31 2.17 0.00 -1.22 0.41 105.19 105.74 2bpn n GLY 81 Ca -0.04 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.16 2bpn n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn h HIS 83 N 0.10 0.73 -0.06 0.00 3.86 -1.49 0.55 115.15 118.83 2bpn h HIS 83 Ca 0.50 0.02 -0.21 0.00 -1.16 0.00 0.00 60.37 59.52 2bpn h HIS 83 Cb 0.97 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.20 2bpn h HIS 83 CO -0.41 0.38 -0.82 0.28 0.86 0.00 0.00 177.93 178.22 2bpn h VAL 84 N 0.72 1.36 0.00 2.45 2.07 0.76 -2.51 116.25 121.10 2bpn h VAL 84 Ca 0.30 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.61 2bpn h VAL 84 Cb 0.27 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2bpn h VAL 84 CO -0.10 0.67 0.00 -0.62 0.02 0.00 0.00 177.57 177.54 2bpn n GLU 85 N -3.83 0.01 -0.08 1.57 -0.58 0.14 -3.44 120.64 114.44 2bpn n GLU 85 Ca -0.06 0.03 -0.18 0.00 -0.42 0.00 0.00 57.16 56.53 2bpn n GLU 85 Cb 0.76 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 30.01 2bpn n GLU 85 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2bpn h VAL 86 N 0.00 1.36 -1.70 2.62 2.07 0.27 -3.47 116.25 117.40 2bpn h VAL 86 Ca 0.00 -2.28 -0.41 0.00 0.82 0.00 0.00 66.70 64.84 2bpn h VAL 86 Cb 0.47 2.83 0.21 0.00 -1.52 0.00 0.00 31.29 33.28 2bpn h VAL 86 CO 0.00 0.48 -1.51 0.00 0.02 0.00 0.00 177.57 176.56 2bpn n ALA 87 N -2.99 -3.75 0.15 1.67 0.00 -0.97 -4.98 120.51 109.64 2bpn n ALA 87 Ca -0.21 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.00 2bpn n ALA 87 Cb 0.60 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2bpn n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bpn n GLY 88 N 2.68 -0.78 1.13 0.00 0.00 -1.26 -5.00 105.19 101.96 2bpn n GLY 88 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 2bpn n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn n ALA 89 N -3.32 3.69 -2.80 4.61 0.00 -1.26 -5.11 120.51 116.33 2bpn n ALA 89 Ca 0.00 -0.71 -0.36 0.00 0.00 0.00 0.00 53.44 52.37 2bpn n ALA 89 Cb 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.98 2bpn n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bpn s ASP 90 N -1.01 5.72 -0.17 0.00 2.15 -1.26 -4.96 116.67 117.14 2bpn s ASP 90 Ca 0.01 0.03 0.05 0.00 0.43 0.00 0.00 52.55 53.06 2bpn s ASP 90 Cb 0.04 -2.01 0.39 0.00 -0.30 0.00 0.00 42.92 41.04 2bpn s ASP 90 CO -0.01 0.08 1.30 0.00 -0.17 0.00 0.00 175.17 176.37 2bpn n ALA 91 N 4.16 3.64 0.02 3.66 0.00 -1.26 -3.22 120.51 127.50 2bpn n ALA 91 Ca -0.16 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.05 2bpn n ALA 91 Cb 0.52 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2bpn n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bpn n ALA 92 N 0.01 3.00 0.22 0.00 0.00 -1.26 -4.62 120.51 117.87 2bpn n ALA 92 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.73 2bpn n ALA 92 Cb 0.92 0.31 0.52 0.00 0.00 0.00 0.00 19.45 21.20 2bpn n ALA 92 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2bpn h LYS 93 N 0.00 0.00 -0.05 0.00 1.79 -1.98 0.15 116.57 116.48 2bpn h LYS 93 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2bpn h LYS 93 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2bpn h LYS 93 CO 0.00 0.22 0.00 0.36 -1.08 0.00 0.00 179.45 178.95 2bpn n LYS 94 N -4.08 1.21 0.00 3.15 -0.00 -1.20 -0.49 118.16 116.75 2bpn n LYS 94 Ca -0.02 -0.31 0.00 0.00 -0.00 0.00 0.00 58.31 57.98 2bpn n LYS 94 Cb 0.29 -1.32 0.00 0.00 -0.00 0.00 0.00 35.03 34.00 2bpn n LYS 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2bpn n LYS 95 N -0.47 -0.50 0.00 -1.58 5.02 0.34 -4.19 118.16 116.77 2bpn n LYS 95 Ca 0.15 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 2bpn n LYS 95 Cb 0.14 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 2bpn n LYS 95 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2bpn n ASP 96 N -0.02 4.74 -0.05 4.39 8.00 -0.17 -3.82 116.55 129.61 2bpn n ASP 96 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 2bpn n ASP 96 Cb 0.10 0.58 -0.13 0.00 -0.02 0.00 0.00 41.12 41.64 2bpn n ASP 96 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bpn n LEU 97 N -1.81 2.77 -0.72 0.64 4.77 0.36 -2.10 117.00 120.90 2bpn n LEU 97 Ca 0.00 0.06 0.09 0.00 -0.03 0.00 0.00 56.01 56.14 2bpn n LEU 97 Cb 0.37 -1.02 0.07 0.00 -2.33 0.00 0.00 43.42 40.51 2bpn n LEU 97 CO 0.00 0.89 0.52 0.35 -1.33 0.00 0.00 177.39 177.82 2bpn n THR 98 N -3.38 0.00 -1.80 -5.08 -2.24 -1.25 -4.87 114.28 95.66 2bpn n THR 98 Ca -0.38 -0.49 -0.35 0.00 -2.27 0.00 0.00 64.05 60.56 2bpn n THR 98 Cb 1.02 1.38 0.06 0.00 -2.10 0.00 0.00 70.33 70.68 2bpn n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2bpn s GLY 99 N -1.59 2.60 -0.02 3.38 0.00 -1.25 -4.92 107.32 105.53 2bpn s GLY 99 Ca 0.21 0.96 0.12 0.00 0.00 0.00 0.00 44.72 46.02 2bpn s GLY 99 CO 0.25 1.36 0.29 0.00 0.00 0.00 0.00 173.10 175.00 2bpn s LYS 101 N -2.80 1.58 0.00 0.00 2.47 -1.26 -4.50 119.74 115.23 2bpn s LYS 101 Ca -0.04 -0.31 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 2bpn s LYS 101 Cb 0.08 -1.52 0.00 0.00 -1.46 0.00 0.00 37.83 34.93 2bpn s LYS 101 CO 0.51 -0.17 0.00 1.17 0.16 0.00 0.00 175.35 177.02 2bpn n LYS 102 N 4.55 0.00 -1.63 4.03 4.81 -0.90 -4.97 118.16 124.05 2bpn n LYS 102 Ca -0.16 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 56.96 2bpn n LYS 102 Cb 0.51 -2.09 0.05 0.00 0.02 0.00 0.00 35.03 33.52 2bpn n LYS 102 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2bpn s SER 103 N -3.25 5.12 0.55 3.14 0.15 -1.22 -4.68 113.70 113.51 2bpn s SER 103 Ca 0.00 1.83 0.24 0.00 0.70 0.00 0.00 55.95 58.72 2bpn s SER 103 Cb 0.00 -2.53 1.49 0.00 -1.71 0.00 0.00 66.02 63.27 2bpn s SER 103 CO 0.00 -1.62 2.10 0.11 1.20 0.00 0.00 173.24 175.03 2bpn h LYS 104 N -0.39 0.00 0.00 5.44 6.56 -1.74 0.59 116.57 127.02 2bpn h LYS 104 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 2bpn h LYS 104 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 2bpn h LYS 104 CO 0.54 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.93 2bpn n HIS 106 N -1.61 2.26 1.89 0.00 8.25 -1.17 -4.72 115.22 120.11 2bpn n HIS 106 Ca 0.00 -2.51 0.16 0.00 -0.26 0.00 0.00 57.72 55.11 2bpn n HIS 106 Cb 0.00 -1.65 0.86 0.00 1.12 0.00 0.00 29.99 30.31 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07