#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 1.45 -3.92 0.00 -0.04 -1.26 -5.07 135.00 126.17 2bpn n PRO 2 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2bpn n PRO 2 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 2bpn n PRO 2 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2bpn s LYS 3 N 0.39 1.30 -0.82 0.54 1.02 -1.26 -5.04 119.74 115.88 2bpn s LYS 3 Ca 0.00 -1.41 -0.22 0.00 0.02 0.00 0.00 55.97 54.35 2bpn s LYS 3 Cb 0.00 -2.68 -0.20 0.00 -0.52 0.00 0.00 37.83 34.43 2bpn s LYS 3 CO 0.00 -0.86 2.14 0.00 -0.92 0.00 0.00 175.35 175.70 2bpn n ALA 4 N 4.54 0.35 -0.68 5.17 0.00 -1.26 -4.80 120.51 123.84 2bpn n ALA 4 Ca -0.02 -0.30 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 2bpn n ALA 4 Cb 0.42 -1.88 0.17 0.00 0.00 0.00 0.00 19.45 18.16 2bpn n ALA 4 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2bpn n PRO 5 N 6.56 -0.63 -2.45 0.00 -0.02 -1.26 -4.94 135.00 132.25 2bpn n PRO 5 Ca 0.54 -0.13 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 2bpn n PRO 5 Cb 0.04 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 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 -2.57 3.19 0.42 3.55 0.00 -1.26 -4.92 121.76 120.18 2bpn s ALA 6 Ca 0.65 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 53.27 2bpn s ALA 6 Cb -0.23 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.44 2bpn s ALA 6 CO 0.61 -0.29 -0.04 -0.25 0.00 0.00 0.00 175.76 175.78 2bpn n ASP 7 N 0.31 -3.03 0.00 0.00 8.00 -1.26 -4.76 116.55 115.80 2bpn n ASP 7 Ca 0.03 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.17 2bpn n ASP 7 Cb 0.47 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 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 2.19 0.00 3.02 0.44 0.00 -1.26 -5.10 105.19 104.49 2bpn n GLY 8 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 1.71 -0.02 0.99 0.05 -1.26 -5.13 118.68 115.01 2bpn s LEU 9 Ca 0.00 -0.26 0.01 0.00 0.05 0.00 0.00 54.13 53.93 2bpn s LEU 9 Cb 0.00 -0.73 0.01 0.00 -2.05 0.00 0.00 46.19 43.43 2bpn s LEU 9 CO 0.00 0.06 -0.02 -1.59 -0.55 0.00 0.00 176.35 174.25 2bpn s LYS 10 N 0.42 0.39 -0.59 1.48 0.00 -1.26 -2.77 119.74 117.41 2bpn s LYS 10 Ca -0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 55.97 55.75 2bpn s LYS 10 Cb -0.13 -0.47 0.15 0.00 0.00 0.00 0.00 37.83 37.39 2bpn s LYS 10 CO 0.02 -0.04 0.47 -1.64 0.00 0.00 0.00 175.35 174.16 2bpn s MET 11 N 0.58 2.79 -0.35 1.78 -1.94 -0.48 -4.89 119.30 116.78 2bpn s MET 11 Ca -0.06 -2.07 0.12 0.00 -1.71 0.00 0.00 55.69 51.97 2bpn s MET 11 Cb -0.09 -4.03 0.45 0.00 2.01 0.00 0.00 34.83 33.17 2bpn s MET 11 CO -0.01 -1.22 1.07 -0.85 -0.01 0.00 0.00 175.02 174.00 2bpn n GLU 12 N 4.44 2.53 0.20 2.03 0.28 -1.26 -1.14 120.64 127.72 2bpn n GLU 12 Ca -0.00 -3.93 0.14 0.00 -0.16 0.00 0.00 57.16 53.20 2bpn n GLU 12 Cb 0.41 -1.86 0.43 0.00 1.43 0.00 0.00 31.44 31.86 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 2.65 1.00 -3.00 -1.84 0.00 -1.90 -3.45 119.26 112.71 2bpn h ALA 13 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2bpn h ALA 13 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2bpn h ALA 13 CO 0.64 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.14 2bpn n THR 14 N -2.76 0.00 -0.16 0.00 -2.24 -1.26 -4.99 114.28 102.87 2bpn n THR 14 Ca 0.03 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.76 2bpn n THR 14 Cb 0.39 -0.22 0.17 0.00 -2.10 0.00 0.00 70.33 68.57 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 2.47 -3.37 -0.78 5.02 -1.26 -4.64 118.16 115.61 2bpn n LYS 15 Ca 0.00 -1.74 -0.13 0.00 -2.02 0.00 0.00 58.31 54.42 2bpn n LYS 15 Cb 0.00 -1.80 -0.08 0.00 -0.02 0.00 0.00 35.03 33.12 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 -1.93 0.35 -0.46 1.97 1.11 -1.26 -5.11 119.66 114.32 2bpn s GLN 16 Ca 0.31 0.12 -0.27 0.00 0.01 0.00 0.00 55.36 55.54 2bpn s GLN 16 Cb 0.25 -0.55 0.03 0.00 -1.01 0.00 0.00 33.01 31.73 2bpn s GLN 16 CO 0.08 -0.92 1.00 -1.25 0.01 0.00 0.00 175.29 174.21 2bpn s PRO 17 N 2.46 3.60 -0.20 2.91 0.04 -1.26 -4.42 135.00 138.13 2bpn s PRO 17 Ca 0.10 0.31 0.01 0.00 0.04 0.00 0.00 61.00 61.46 2bpn s PRO 17 Cb -0.14 -3.92 0.04 0.00 0.04 0.00 0.00 34.50 30.52 2bpn s PRO 17 CO -0.27 -1.27 -0.14 0.08 0.04 0.00 0.00 177.00 175.44 2bpn s VAL 18 N 3.99 1.87 0.19 -0.36 1.01 -0.29 -4.93 120.40 121.87 2bpn s VAL 18 Ca 0.41 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 2bpn s VAL 18 Cb -0.09 -1.84 -0.08 0.00 0.00 0.00 0.00 36.38 34.37 2bpn s VAL 18 CO 0.28 0.28 0.66 0.54 0.00 0.00 0.00 175.10 176.86 2bpn s VAL 19 N 1.32 4.67 -0.11 2.92 0.11 -1.26 -1.39 120.40 126.66 2bpn s VAL 19 Ca -0.00 1.14 -0.03 0.00 -2.93 0.00 0.00 61.98 60.16 2bpn s VAL 19 Cb -0.16 -3.83 0.04 0.00 -1.53 0.00 0.00 36.38 30.91 2bpn s VAL 19 CO -0.09 0.25 0.07 0.12 -3.33 0.00 0.00 175.10 172.12 2bpn s PHE 20 N -1.47 0.17 0.09 1.54 2.19 -1.12 -4.96 117.98 114.42 2bpn s PHE 20 Ca 0.40 -0.05 -0.14 0.00 0.33 0.00 0.00 56.93 57.47 2bpn s PHE 20 Cb -0.16 -0.61 -0.06 0.00 -1.31 0.00 0.00 43.02 40.88 2bpn s PHE 20 CO 0.20 -0.35 0.49 -0.80 1.83 0.00 0.00 175.22 176.58 2bpn s ASN 21 N 2.14 6.82 0.32 6.13 0.02 -1.26 -4.57 114.94 124.53 2bpn s ASN 21 Ca 0.03 1.01 0.16 0.00 -1.02 0.00 0.00 52.86 53.05 2bpn s ASN 21 Cb -0.14 -2.27 0.44 0.00 0.02 0.00 0.00 41.25 39.30 2bpn s ASN 21 CO -0.06 0.20 1.62 0.45 0.02 0.00 0.00 177.10 179.33 2bpn h HIS 22 N 4.01 0.00 0.00 2.20 3.86 -1.91 -2.76 115.15 120.55 2bpn h HIS 22 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 2bpn h HIS 22 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 2bpn h HIS 22 CO 0.67 0.49 0.00 0.66 0.86 0.00 0.00 177.93 180.62 2bpn h SER 23 N 0.00 0.00 -0.51 2.45 4.64 -1.94 -0.93 113.55 117.27 2bpn h SER 23 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bpn h SER 23 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2bpn h SER 23 CO 0.06 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.37 2bpn n THR 24 N -2.65 0.71 -2.72 2.95 -2.24 -1.04 -4.32 114.28 104.97 2bpn n THR 24 Ca 0.01 -0.86 -0.04 0.00 -2.27 0.00 0.00 64.05 60.90 2bpn n THR 24 Cb 0.26 0.78 0.09 0.00 -2.10 0.00 0.00 70.33 69.35 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 1.46 -0.76 -2.72 4.78 8.25 -0.49 -5.01 115.22 120.73 2bpn n HIS 25 Ca 0.20 -2.05 -0.26 0.00 -0.26 0.00 0.00 57.72 55.36 2bpn n HIS 25 Cb 0.59 0.79 0.01 0.00 1.12 0.00 0.00 29.99 32.50 2bpn n HIS 25 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2bpn s LYS 26 N -1.42 3.21 0.00 -0.41 -2.85 -0.47 -4.21 119.74 113.58 2bpn s LYS 26 Ca 0.19 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.06 2bpn s LYS 26 Cb 0.41 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 2bpn s LYS 26 CO -0.07 -0.35 0.00 -1.13 0.10 0.00 0.00 175.35 173.90 2bpn n SER 27 N -2.27 0.00 -4.62 0.03 3.41 -1.26 -4.96 113.62 103.94 2bpn n SER 27 Ca 0.02 0.00 -0.48 0.00 -0.26 0.00 0.00 58.87 58.15 2bpn n SER 27 Cb 0.57 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 2bpn n SER 27 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2bpn n VAL 28 N 0.00 0.58 -1.68 -3.33 0.31 -1.26 -4.78 118.33 108.17 2bpn n VAL 28 Ca 0.00 -0.15 -0.50 0.00 -0.01 0.00 0.00 64.34 63.69 2bpn n VAL 28 Cb 0.00 -1.11 -0.05 0.00 -0.91 0.00 0.00 33.84 31.77 2bpn n VAL 28 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2bpn n LYS 29 N 2.24 1.94 0.24 5.55 4.81 -1.26 -4.76 118.16 126.92 2bpn n LYS 29 Ca 0.15 0.71 0.17 0.00 -0.87 0.00 0.00 58.31 58.47 2bpn n LYS 29 Cb 0.26 -2.50 0.78 0.00 0.02 0.00 0.00 35.03 33.58 2bpn n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2bpn n GLY 31 N -1.33 -0.97 0.10 0.00 0.00 -1.26 0.13 105.19 101.86 2bpn n GLY 31 Ca 0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 0.42 0.00 1.61 1.82 0.21 -3.31 116.42 117.16 2bpn h ASP 32 Ca 0.00 -0.45 -0.27 0.00 -0.39 0.00 0.00 57.03 55.93 2bpn h ASP 32 Cb 0.19 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 40.02 2bpn h ASP 32 CO 0.00 1.35 -1.97 0.00 -1.61 0.00 0.00 179.24 177.01 2bpn n HIS 34 N -3.27 3.40 -1.38 0.00 8.25 0.35 -5.03 115.22 117.54 2bpn n HIS 34 Ca -0.32 -3.03 -0.32 0.00 -0.26 0.00 0.00 57.72 53.80 2bpn n HIS 34 Cb 0.79 -1.59 0.08 0.00 1.12 0.00 0.00 29.99 30.40 2bpn n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2bpn s HIS 35 N -1.42 2.52 0.11 4.41 -0.00 -1.25 -4.07 115.29 115.59 2bpn s HIS 35 Ca 0.34 1.57 -0.31 0.00 -0.00 0.00 0.00 55.06 56.65 2bpn s HIS 35 Cb 0.01 -3.11 -0.09 0.00 -0.00 0.00 0.00 32.58 29.40 2bpn s HIS 35 CO 0.03 -1.84 1.52 -2.14 -0.00 0.00 0.00 174.74 172.31 2bpn s PRO 36 N -4.62 4.25 -0.20 -0.38 0.02 -1.26 -3.00 135.00 129.80 2bpn s PRO 36 Ca 0.64 2.23 -0.00 0.00 0.02 0.00 0.00 61.00 63.88 2bpn s PRO 36 Cb -0.19 -3.32 0.05 0.00 0.02 0.00 0.00 34.50 31.06 2bpn s PRO 36 CO 0.52 -0.58 -0.03 0.08 -0.33 0.00 0.00 177.00 176.65 2bpn s VAL 37 N 1.58 1.16 -0.68 3.83 1.01 -1.17 -4.72 120.40 121.41 2bpn s VAL 37 Ca 0.69 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2bpn s VAL 37 Cb -0.40 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2bpn s VAL 37 CO 0.31 -0.05 0.48 -3.20 0.00 0.00 0.00 175.10 172.64 2bpn n ASN 38 N 4.83 -3.99 -3.51 3.32 4.05 -1.26 -3.32 115.26 115.37 2bpn n ASN 38 Ca -0.11 -0.22 -0.19 0.00 0.45 0.00 0.00 54.58 54.51 2bpn n ASN 38 Cb 0.46 -2.66 0.06 0.00 1.23 0.00 0.00 39.78 38.87 2bpn n ASN 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2bpn n GLY 39 N -1.19 -0.50 3.15 8.20 0.00 -1.26 -4.98 105.19 108.61 2bpn n GLY 39 Ca -0.01 0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.27 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 -5.47 0.05 -0.08 1.61 2.20 -1.21 -5.12 119.74 111.72 2bpn s LYS 40 Ca 0.10 0.07 -0.26 0.00 -0.36 0.00 0.00 55.97 55.51 2bpn s LYS 40 Cb -0.02 0.03 -0.13 0.00 -1.51 0.00 0.00 37.83 36.21 2bpn s LYS 40 CO 0.77 -0.08 0.76 0.39 -0.36 0.00 0.00 175.35 176.83 2bpn n GLU 41 N 5.24 0.00 -4.63 4.03 1.02 -1.26 -3.02 120.64 122.02 2bpn n GLU 41 Ca 0.02 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.82 2bpn n GLU 41 Cb 0.57 -0.95 -0.13 0.00 -0.02 0.00 0.00 31.44 30.91 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 0.47 4.43 -0.06 1.62 -1.08 -1.16 -4.80 116.67 116.08 2bpn s ASP 42 Ca 0.60 -0.17 0.09 0.00 -0.52 0.00 0.00 52.55 52.55 2bpn s ASP 42 Cb -0.84 -1.45 0.14 0.00 -1.46 0.00 0.00 42.92 39.30 2bpn s ASP 42 CO 0.40 0.24 1.02 -1.22 0.52 0.00 0.00 175.17 176.13 2bpn n TYR 43 N 3.02 0.00 -2.24 -5.34 4.02 -1.26 -4.38 117.16 110.98 2bpn n TYR 43 Ca -0.18 -0.55 -0.26 0.00 -0.01 0.00 0.00 57.90 56.90 2bpn n TYR 43 Cb 0.53 -0.09 0.09 0.00 -0.02 0.00 0.00 39.34 39.85 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 -1.52 1.86 -0.30 -0.72 0.52 -1.26 -4.93 118.95 112.60 2bpn s ARG 44 Ca 0.15 -0.45 -0.44 0.00 -0.52 0.00 0.00 55.73 54.47 2bpn s ARG 44 Cb 0.13 -2.16 -0.20 0.00 0.52 0.00 0.00 34.95 33.25 2bpn s ARG 44 CO 0.01 -1.45 1.43 1.63 0.02 0.00 0.00 175.30 176.95 2bpn n LYS 45 N -3.02 0.13 -0.32 3.54 5.02 -1.26 -4.73 118.16 117.52 2bpn n LYS 45 Ca 0.10 0.05 0.20 0.00 -2.02 0.00 0.00 58.31 56.64 2bpn n LYS 45 Cb 0.60 -1.57 0.40 0.00 -0.02 0.00 0.00 35.03 34.44 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 -1.36 1.67 1.47 0.00 0.00 -1.26 -3.96 105.19 101.74 2bpn n GLY 47 Ca 0.28 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 -2.20 -2.09 2.61 -1.04 -1.23 -3.42 114.28 106.92 2bpn n THR 48 Ca 0.00 1.14 -0.42 0.00 -2.04 0.00 0.00 64.05 62.73 2bpn n THR 48 Cb 0.00 -1.89 -0.03 0.00 -1.82 0.00 0.00 70.33 66.60 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 -5.09 3.63 0.00 2.41 0.00 -1.26 -2.42 121.76 119.03 2bpn s ALA 49 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2bpn s ALA 49 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2bpn s ALA 49 CO 0.00 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.06 2bpn n GLY 50 N 3.87 1.31 0.00 0.00 0.00 -1.26 -5.05 105.19 104.06 2bpn n GLY 50 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.93 -1.42 0.00 8.25 -1.22 -4.57 115.22 117.19 2bpn n HIS 52 Ca 0.00 -0.14 0.01 0.00 -0.26 0.00 0.00 57.72 57.34 2bpn n HIS 52 Cb 0.00 -2.60 0.20 0.00 1.12 0.00 0.00 29.99 28.72 2bpn n HIS 52 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2bpn n ASP 53 N 19.74 2.37 -4.43 0.41 2.03 -1.24 -4.10 116.55 131.33 2bpn n ASP 53 Ca 0.42 -3.68 -0.37 0.00 0.52 0.00 0.00 54.79 51.67 2bpn n ASP 53 Cb 0.46 -0.58 -0.12 0.00 -0.72 0.00 0.00 41.12 40.16 2bpn n ASP 53 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2bpn s SER 54 N -2.72 5.23 -0.45 1.67 0.15 -1.17 -4.99 113.70 111.43 2bpn s SER 54 Ca 0.41 -0.37 0.10 0.00 0.70 0.00 0.00 55.95 56.79 2bpn s SER 54 Cb 0.38 -1.93 0.36 0.00 -1.71 0.00 0.00 66.02 63.12 2bpn s SER 54 CO -0.01 -0.10 0.85 0.23 1.20 0.00 0.00 173.24 175.41 2bpn n MET 55 N 4.93 1.96 -1.50 5.44 2.81 -1.26 -2.31 117.12 127.19 2bpn n MET 55 Ca -0.15 -3.98 0.00 0.00 -1.81 0.00 0.00 57.70 51.76 2bpn n MET 55 Cb 0.50 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 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 0.01 1.77 -3.70 7.83 -0.08 -1.26 -5.12 116.55 116.00 2bpn n ASP 56 Ca 0.27 -0.75 -0.30 0.00 -1.51 0.00 0.00 54.79 52.50 2bpn n ASP 56 Cb 0.58 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.91 2bpn n ASP 56 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2bpn s LYS 57 N -1.26 1.18 0.00 -0.67 2.36 -1.26 -4.85 119.74 115.25 2bpn s LYS 57 Ca 0.00 -1.87 0.00 0.00 -2.55 0.00 0.00 55.97 51.55 2bpn s LYS 57 Cb 0.00 -2.23 0.00 0.00 -1.05 0.00 0.00 37.83 34.55 2bpn s LYS 57 CO 0.00 -1.15 0.00 1.63 1.55 0.00 0.00 175.35 177.38 2bpn n LYS 58 N 3.71 0.00 -1.86 4.03 5.02 -1.26 -5.12 118.16 122.68 2bpn n LYS 58 Ca 0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 2bpn n LYS 58 Cb 0.35 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.33 2bpn n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bpn s ASP 59 N 0.00 6.52 -0.19 4.39 -1.08 -1.26 -4.88 116.67 120.17 2bpn s ASP 59 Ca 0.00 2.68 0.13 0.00 -0.52 0.00 0.00 52.55 54.84 2bpn s ASP 59 Cb 0.00 -2.59 0.41 0.00 -1.46 0.00 0.00 42.92 39.28 2bpn s ASP 59 CO 0.00 -0.89 1.21 0.29 0.52 0.00 0.00 175.17 176.30 2bpn n LYS 60 N 4.30 1.43 -1.67 4.34 5.02 -1.26 -4.77 118.16 125.55 2bpn n LYS 60 Ca 0.15 -3.14 -0.29 0.00 -2.02 0.00 0.00 58.31 53.01 2bpn n LYS 60 Cb 0.38 -1.47 0.16 0.00 -0.02 0.00 0.00 35.03 34.07 2bpn n LYS 60 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2bpn s SER 61 N -3.10 3.20 0.54 4.39 0.15 -1.26 -4.81 113.70 112.81 2bpn s SER 61 Ca 0.37 0.66 0.26 0.00 0.70 0.00 0.00 55.95 57.94 2bpn s SER 61 Cb 0.36 -1.00 1.42 0.00 -1.71 0.00 0.00 66.02 65.10 2bpn s SER 61 CO -0.07 -2.71 1.99 0.00 1.20 0.00 0.00 173.24 173.65 2bpn h ALA 62 N -1.62 2.44 0.00 5.45 0.00 -1.97 1.02 119.26 124.58 2bpn h ALA 62 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2bpn h ALA 62 Cb 1.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2bpn h ALA 62 CO 0.51 -0.64 0.00 0.87 0.00 0.00 0.00 179.25 179.99 2bpn h LYS 63 N 0.00 0.00 -6.31 0.00 1.79 -1.92 -3.43 116.57 106.71 2bpn h LYS 63 Ca 0.24 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 58.17 2bpn h LYS 63 Cb 1.00 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.66 2bpn h LYS 63 CO -0.00 0.00 1.26 0.20 -1.08 0.00 0.00 179.45 179.83 2bpn s GLY 64 N -4.15 1.34 0.01 3.86 0.00 0.35 -3.03 107.32 105.70 2bpn s GLY 64 Ca -0.03 1.24 -0.24 0.00 0.00 0.00 0.00 44.72 45.69 2bpn s GLY 64 CO 0.46 3.49 1.35 -1.82 0.00 0.00 0.00 173.10 176.58 2bpn h TYR 65 N 11.08 0.11 0.00 1.90 3.20 -1.72 -2.29 116.97 129.24 2bpn h TYR 65 Ca -0.48 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.36 2bpn h TYR 65 Cb 1.23 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.48 2bpn h TYR 65 CO 0.95 0.49 0.00 0.98 -1.64 0.00 0.00 178.16 178.94 2bpn n TYR 66 N -4.82 0.00 0.88 -3.82 4.19 -1.26 -2.44 117.16 109.90 2bpn n TYR 66 Ca -0.08 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.24 2bpn n TYR 66 Cb 0.24 -0.14 -0.02 0.00 0.49 0.00 0.00 39.34 39.91 2bpn n TYR 66 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2bpn n HIS 67 N -1.14 0.04 -0.73 2.98 -0.00 -1.03 -3.58 115.22 111.75 2bpn n HIS 67 Ca 0.18 0.01 0.08 0.00 0.46 0.00 0.00 57.72 58.45 2bpn n HIS 67 Cb 0.16 -0.14 0.28 0.00 -0.12 0.00 0.00 29.99 30.17 2bpn n HIS 67 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 2bpn n VAL 68 N -1.61 1.99 -2.21 3.57 0.24 -0.89 -4.10 118.33 115.32 2bpn n VAL 68 Ca 0.04 -1.49 -0.03 0.00 -2.04 0.00 0.00 64.34 60.81 2bpn n VAL 68 Cb 0.36 -0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.68 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 0.19 0.14 0.00 7.34 -0.00 -1.24 -4.70 117.12 118.85 2bpn n MET 69 Ca 0.21 -1.37 0.00 0.00 -0.00 0.00 0.00 57.70 56.54 2bpn n MET 69 Cb 0.83 0.29 0.00 0.00 -0.00 0.00 0.00 33.22 34.35 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 0.02 -0.89 -1.43 3.17 -0.00 -1.23 -4.10 115.22 110.76 2bpn n HIS 70 Ca -0.17 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.18 2bpn n HIS 70 Cb 0.84 0.28 0.06 0.00 -0.00 0.00 0.00 29.99 31.17 2bpn n HIS 70 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2bpn n ASP 71 N -1.84 -0.40 -0.00 0.41 8.00 -1.26 -3.36 116.55 118.10 2bpn n ASP 71 Ca 0.00 0.70 0.03 0.00 0.71 0.00 0.00 54.79 56.23 2bpn n ASP 71 Cb 0.00 -1.28 -0.05 0.00 -0.02 0.00 0.00 41.12 39.78 2bpn n ASP 71 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2bpn n LYS 72 N -0.79 2.95 0.12 -1.24 2.85 -1.26 -4.38 118.16 116.41 2bpn n LYS 72 Ca 0.12 -0.03 0.11 0.00 -1.05 0.00 0.00 58.31 57.47 2bpn n LYS 72 Cb 0.49 -0.96 0.48 0.00 -0.65 0.00 0.00 35.03 34.38 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 -1.39 0.59 -4.40 -5.58 4.13 -1.26 -4.78 115.26 102.57 2bpn n ASN 73 Ca 0.00 0.66 -0.32 0.00 1.68 0.00 0.00 54.58 56.61 2bpn n ASN 73 Cb 0.14 -0.78 0.18 0.00 -1.54 0.00 0.00 39.78 37.77 2bpn n ASN 73 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2bpn n THR 74 N -2.17 0.00 -0.20 3.41 -2.24 -1.26 -4.89 114.28 106.93 2bpn n THR 74 Ca 0.02 -0.26 -0.06 0.00 -2.27 0.00 0.00 64.05 61.47 2bpn n THR 74 Cb 0.20 -0.74 0.09 0.00 -2.10 0.00 0.00 70.33 67.78 2bpn n THR 74 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2bpn h LYS 75 N -2.04 1.01 -6.18 -0.78 3.64 -1.97 -3.44 116.57 106.82 2bpn h LYS 75 Ca -0.51 -0.26 -0.52 0.00 -1.27 0.00 0.00 60.65 58.10 2bpn h LYS 75 Cb 1.32 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 2bpn h LYS 75 CO 0.40 0.93 -0.51 -0.06 -2.27 0.00 0.00 179.45 177.93 2bpn s PHE 76 N -5.18 2.90 0.79 1.91 0.08 -1.26 -5.10 117.98 112.13 2bpn s PHE 76 Ca -0.11 -0.25 -0.12 0.00 0.12 0.00 0.00 56.93 56.57 2bpn s PHE 76 Cb 0.15 -1.57 0.07 0.00 -0.57 0.00 0.00 43.02 41.11 2bpn s PHE 76 CO 0.84 0.37 1.15 0.15 -0.10 0.00 0.00 175.22 177.63 2bpn s LYS 77 N -3.88 1.87 0.32 0.44 1.02 -1.26 -4.89 119.74 113.36 2bpn s LYS 77 Ca 0.37 1.49 0.00 0.00 0.02 0.00 0.00 55.97 57.85 2bpn s LYS 77 Cb -0.06 -1.83 -0.00 0.00 -0.52 0.00 0.00 37.83 35.42 2bpn s LYS 77 CO 0.24 -1.98 0.02 -1.13 -0.92 0.00 0.00 175.35 171.58 2bpn n SER 78 N -3.40 2.63 -0.01 2.83 3.41 -1.26 -4.92 113.62 112.90 2bpn n SER 78 Ca 0.11 -2.44 -0.16 0.00 -0.26 0.00 0.00 58.87 56.12 2bpn n SER 78 Cb 0.52 0.30 -0.12 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.35 1.49 0.00 0.00 2.07 -1.72 -3.18 116.25 114.56 2bpn h VAL 80 Ca -0.06 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 64.68 2bpn h VAL 80 Cb 1.18 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 2bpn h VAL 80 CO 0.08 0.81 0.00 0.61 0.02 0.00 0.00 177.57 179.10 2bpn n GLY 81 N 1.12 -2.75 0.29 2.17 0.00 -1.21 0.13 105.19 104.95 2bpn n GLY 81 Ca -0.05 0.24 0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 0.01 0.60 -0.03 0.00 3.86 -1.41 0.91 115.15 119.09 2bpn h HIS 83 Ca 0.40 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.44 2bpn h HIS 83 Cb 0.64 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 2bpn h HIS 83 CO -0.59 0.28 -0.78 0.28 0.86 0.00 0.00 177.93 177.98 2bpn h VAL 84 N 0.56 1.44 0.00 2.45 2.07 1.08 -2.34 116.25 121.50 2bpn h VAL 84 Ca 0.32 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.50 2bpn h VAL 84 Cb 0.51 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2bpn h VAL 84 CO -0.11 0.69 -0.16 -0.33 0.02 0.00 0.00 177.57 177.68 2bpn h GLU 85 N 0.17 0.00 0.05 1.57 5.08 0.25 -3.32 114.58 118.37 2bpn h GLU 85 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2bpn h GLU 85 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2bpn h GLU 85 CO 0.12 0.00 -0.02 0.28 -1.00 0.00 0.00 179.01 178.39 2bpn h VAL 86 N 0.00 0.61 -1.62 3.13 2.07 0.91 -3.46 116.25 117.89 2bpn h VAL 86 Ca 0.00 -1.37 -0.47 0.00 0.82 0.00 0.00 66.70 65.68 2bpn h VAL 86 Cb 0.81 1.14 0.25 0.00 -1.52 0.00 0.00 31.29 31.97 2bpn h VAL 86 CO 0.00 0.20 -1.96 0.00 0.02 0.00 0.00 177.57 175.83 2bpn n ALA 87 N -2.70 -5.06 0.08 1.67 0.00 -0.90 -4.93 120.51 108.67 2bpn n ALA 87 Ca -0.04 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.04 2bpn n ALA 87 Cb 0.18 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 2.81 -1.08 0.66 0.00 0.00 -1.26 -4.97 105.19 101.34 2bpn n GLY 88 Ca -0.01 0.20 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.82 2.25 -3.65 4.61 0.00 -1.26 -5.00 120.51 114.65 2bpn n ALA 89 Ca 0.00 -0.66 -0.36 0.00 0.00 0.00 0.00 53.44 52.42 2bpn n ALA 89 Cb 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.67 5.89 0.17 0.00 -1.08 -1.26 -4.92 116.67 114.81 2bpn s ASP 90 Ca 0.03 -3.59 -0.20 0.00 -0.52 0.00 0.00 52.55 48.27 2bpn s ASP 90 Cb 0.04 -1.90 0.09 0.00 -1.46 0.00 0.00 42.92 39.69 2bpn s ASP 90 CO -0.02 -0.21 1.62 0.00 0.52 0.00 0.00 175.17 177.07 2bpn h ALA 91 N 6.18 -0.01 -0.84 3.66 0.00 -1.95 0.49 119.26 126.77 2bpn h ALA 91 Ca 0.13 0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.38 2bpn h ALA 91 Cb 0.84 0.59 -0.15 0.00 0.00 0.00 0.00 17.79 19.06 2bpn h ALA 91 CO 0.83 -0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.48 2bpn h ALA 92 N 1.00 0.95 -0.09 0.00 0.00 -1.97 1.74 119.26 120.89 2bpn h ALA 92 Ca 0.19 0.27 -0.11 0.00 0.00 0.00 0.00 54.91 55.26 2bpn h ALA 92 Cb 0.49 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2bpn h ALA 92 CO -0.52 -0.46 -0.46 -0.22 0.00 0.00 0.00 179.25 177.59 2bpn h LYS 93 N 0.09 0.21 0.00 0.00 1.63 -1.07 -0.23 116.57 117.20 2bpn h LYS 93 Ca 0.48 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 2bpn h LYS 93 Cb 0.91 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2bpn h LYS 93 CO -0.74 0.63 0.00 0.36 -3.45 0.00 0.00 179.45 176.25 2bpn n LYS 94 N -3.99 0.35 0.00 1.90 -0.00 0.55 0.10 118.16 117.07 2bpn n LYS 94 Ca -0.02 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2bpn n LYS 94 Cb 0.51 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.04 2bpn n LYS 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2bpn n LYS 95 N -1.24 -0.90 -0.01 -1.58 4.81 0.11 -3.68 118.16 115.67 2bpn n LYS 95 Ca 0.11 -0.52 -0.00 0.00 -0.87 0.00 0.00 58.31 57.02 2bpn n LYS 95 Cb 0.15 -1.00 -0.02 0.00 0.02 0.00 0.00 35.03 34.19 2bpn n LYS 95 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2bpn n ASP 96 N -0.01 4.49 -0.10 3.14 8.00 -0.20 -3.66 116.55 128.21 2bpn n ASP 96 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2bpn n ASP 96 Cb 0.01 0.76 -0.12 0.00 -0.02 0.00 0.00 41.12 41.75 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 -1.89 2.52 -0.68 0.64 4.77 0.28 -2.14 117.00 120.51 2bpn n LEU 97 Ca -0.02 0.12 0.08 0.00 -0.03 0.00 0.00 56.01 56.15 2bpn n LEU 97 Cb 0.38 -0.94 0.10 0.00 -2.33 0.00 0.00 43.42 40.63 2bpn n LEU 97 CO 0.05 0.75 0.54 0.35 -1.33 0.00 0.00 177.39 177.75 2bpn n THR 98 N -3.69 0.24 -1.10 -5.08 -2.24 -1.24 -4.87 114.28 96.30 2bpn n THR 98 Ca -0.44 -0.62 -0.34 0.00 -2.27 0.00 0.00 64.05 60.38 2bpn n THR 98 Cb 0.94 1.12 0.13 0.00 -2.10 0.00 0.00 70.33 70.42 2bpn n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bpn n GLY 99 N 0.87 -0.12 0.13 3.38 0.00 -1.24 -4.89 105.19 103.32 2bpn n GLY 99 Ca 0.11 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 2bpn n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn s LYS 101 N -2.52 1.77 0.00 0.00 -2.85 -1.26 -4.54 119.74 110.33 2bpn s LYS 101 Ca -0.32 -0.62 0.00 0.00 -1.00 0.00 0.00 55.97 54.02 2bpn s LYS 101 Cb 0.09 -1.55 0.00 0.00 -2.06 0.00 0.00 37.83 34.31 2bpn s LYS 101 CO 0.63 0.27 0.00 1.17 0.10 0.00 0.00 175.35 177.51 2bpn n LYS 102 N 3.07 0.00 -1.40 1.78 0.00 -0.47 -4.96 118.16 116.18 2bpn n LYS 102 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 57.82 2bpn n LYS 102 Cb 0.53 -1.02 0.07 0.00 0.00 0.00 0.00 35.03 34.62 2bpn n LYS 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2bpn s SER 103 N -3.20 4.84 0.25 3.14 0.15 -1.08 -4.62 113.70 113.18 2bpn s SER 103 Ca 0.00 1.77 -0.05 0.00 0.70 0.00 0.00 55.95 58.36 2bpn s SER 103 Cb 0.00 -2.51 0.30 0.00 -1.71 0.00 0.00 66.02 62.10 2bpn s SER 103 CO 0.00 -1.81 1.90 0.11 1.20 0.00 0.00 173.24 174.64 2bpn h LYS 104 N -0.91 1.17 0.51 5.44 6.56 -1.78 1.55 116.57 129.11 2bpn h LYS 104 Ca -0.44 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.06 2bpn h LYS 104 Cb 1.22 -0.26 0.01 0.00 -0.57 0.00 0.00 32.23 32.63 2bpn h LYS 104 CO 0.53 0.77 -0.25 0.00 -2.06 0.00 0.00 179.45 178.45 2bpn n HIS 106 N -4.73 2.96 1.62 0.00 8.25 -1.11 -4.69 115.22 117.53 2bpn n HIS 106 Ca -0.09 -3.14 0.14 0.00 -0.26 0.00 0.00 57.72 54.38 2bpn n HIS 106 Cb 0.27 -0.97 0.63 0.00 1.12 0.00 0.00 29.99 31.05 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07