#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 -3.66 -4.33 0.00 -0.04 -1.26 -5.02 135.00 120.69 2bpn n PRO 2 Ca 0.00 -0.92 -0.33 0.00 -0.04 0.00 0.00 63.50 62.20 2bpn n PRO 2 Cb 0.00 -1.16 -0.16 0.00 -0.04 0.00 0.00 33.50 32.14 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 -4.32 3.09 -0.87 0.54 1.02 -1.26 -5.03 119.74 112.92 2bpn s LYS 3 Ca 0.42 -0.79 -0.34 0.00 0.02 0.00 0.00 55.97 55.27 2bpn s LYS 3 Cb -0.07 -2.60 -0.21 0.00 -0.52 0.00 0.00 37.83 34.43 2bpn s LYS 3 CO 0.35 -0.11 2.56 0.00 -0.92 0.00 0.00 175.35 177.23 2bpn n ALA 4 N 4.37 0.29 -0.88 5.17 0.00 -1.26 -4.80 120.51 123.40 2bpn n ALA 4 Ca -0.20 -0.18 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 2bpn n ALA 4 Cb 0.51 -2.25 0.09 0.00 0.00 0.00 0.00 19.45 17.80 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 8.27 -0.52 -2.74 0.00 -0.02 -1.26 -4.86 135.00 133.87 2bpn n PRO 5 Ca 0.63 -0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 2bpn n PRO 5 Cb 0.03 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 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 -2.12 3.26 1.01 3.55 0.00 -1.26 -4.88 121.76 121.32 2bpn s ALA 6 Ca 0.45 0.44 -0.21 0.00 0.00 0.00 0.00 51.96 52.64 2bpn s ALA 6 Cb -0.05 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 2bpn s ALA 6 CO 0.69 -0.34 -0.79 -0.40 0.00 0.00 0.00 175.76 174.92 2bpn n ASP 7 N 4.24 -3.79 0.00 0.00 5.75 -1.26 -4.54 116.55 116.96 2bpn n ASP 7 Ca 0.06 0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 2bpn n ASP 7 Cb 0.50 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 2bpn n ASP 7 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bpn n GLY 8 N 2.99 1.80 3.51 6.12 0.00 -1.26 -5.07 105.19 113.27 2bpn n GLY 8 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.29 -0.04 0.99 0.05 -1.26 -5.08 118.68 116.63 2bpn s LEU 9 Ca 0.00 -0.12 0.02 0.00 0.05 0.00 0.00 54.13 54.08 2bpn s LEU 9 Cb 0.00 -1.80 0.01 0.00 -2.05 0.00 0.00 46.19 42.35 2bpn s LEU 9 CO 0.00 0.17 -0.08 -1.59 -0.55 0.00 0.00 176.35 174.29 2bpn s LYS 10 N 0.38 1.09 -0.32 1.48 0.00 -1.26 -1.79 119.74 119.32 2bpn s LYS 10 Ca -0.03 -0.27 -0.16 0.00 0.00 0.00 0.00 55.97 55.51 2bpn s LYS 10 Cb -0.14 -0.99 -0.02 0.00 0.00 0.00 0.00 37.83 36.68 2bpn s LYS 10 CO 0.03 0.03 0.41 -1.64 0.00 0.00 0.00 175.35 174.18 2bpn s MET 11 N 0.52 3.75 -0.38 1.78 -1.94 -0.49 -4.91 119.30 117.62 2bpn s MET 11 Ca -0.08 -0.17 0.12 0.00 -1.71 0.00 0.00 55.69 53.84 2bpn s MET 11 Cb -0.12 -3.75 0.38 0.00 2.01 0.00 0.00 34.83 33.34 2bpn s MET 11 CO 0.01 -0.47 0.95 -0.85 -0.01 0.00 0.00 175.02 174.66 2bpn n GLU 12 N 5.47 1.05 0.12 2.03 0.28 -1.26 0.14 120.64 128.46 2bpn n GLU 12 Ca -0.08 -2.82 -0.20 0.00 -0.16 0.00 0.00 57.16 53.91 2bpn n GLU 12 Cb 0.50 -1.22 -0.15 0.00 1.43 0.00 0.00 31.44 32.00 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 2.87 0.02 -3.00 -1.84 0.00 -1.92 -3.46 119.26 111.92 2bpn h ALA 13 Ca -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2bpn h ALA 13 Cb 1.09 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2bpn h ALA 13 CO 0.34 0.89 0.00 0.25 0.00 0.00 0.00 179.25 180.73 2bpn n THR 14 N -3.60 0.00 -0.25 0.00 -2.24 -1.26 -4.94 114.28 101.99 2bpn n THR 14 Ca -0.14 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 2bpn n THR 14 Cb 1.06 -1.21 0.09 0.00 -2.10 0.00 0.00 70.33 68.17 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 1.68 -3.24 -0.78 5.02 -1.26 -4.63 118.16 114.96 2bpn n LYS 15 Ca 0.00 -1.61 -0.03 0.00 -2.02 0.00 0.00 58.31 54.65 2bpn n LYS 15 Cb 0.00 -1.63 -0.04 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 -1.78 0.47 -0.01 1.97 -1.52 -1.26 -5.14 119.66 112.40 2bpn s GLN 16 Ca 0.31 0.45 -0.29 0.00 -1.95 0.00 0.00 55.36 53.88 2bpn s GLN 16 Cb 0.26 -0.03 -0.03 0.00 -0.22 0.00 0.00 33.01 32.98 2bpn s GLN 16 CO 0.05 -0.92 0.93 -1.25 -0.25 0.00 0.00 175.29 173.85 2bpn s PRO 17 N 2.68 4.54 -0.19 2.91 0.04 -1.26 -4.56 135.00 139.16 2bpn s PRO 17 Ca 0.12 1.33 -0.04 0.00 0.04 0.00 0.00 61.00 62.46 2bpn s PRO 17 Cb -0.12 -3.46 0.06 0.00 0.04 0.00 0.00 34.50 31.02 2bpn s PRO 17 CO -0.25 -0.02 0.05 0.08 0.04 0.00 0.00 177.00 176.90 2bpn s VAL 18 N 0.95 0.32 0.51 -0.36 1.01 0.36 -4.81 120.40 118.38 2bpn s VAL 18 Ca 0.49 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 2bpn s VAL 18 Cb -0.21 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 2bpn s VAL 18 CO 0.26 -0.25 1.14 0.54 0.00 0.00 0.00 175.10 176.80 2bpn s VAL 19 N 1.95 3.15 -0.26 2.92 0.11 -1.26 -1.40 120.40 125.61 2bpn s VAL 19 Ca 0.00 0.77 -0.04 0.00 -2.93 0.00 0.00 61.98 59.79 2bpn s VAL 19 Cb -0.17 -3.34 0.15 0.00 -1.53 0.00 0.00 36.38 31.49 2bpn s VAL 19 CO -0.09 -0.10 0.50 0.12 -3.33 0.00 0.00 175.10 172.20 2bpn s PHE 20 N -1.69 -1.17 -0.13 1.54 5.36 -0.74 -4.88 117.98 116.27 2bpn s PHE 20 Ca 0.69 1.48 -0.04 0.00 -0.96 0.00 0.00 56.93 58.09 2bpn s PHE 20 Cb -0.25 0.37 -0.03 0.00 -0.34 0.00 0.00 43.02 42.76 2bpn s PHE 20 CO 0.30 -0.73 0.02 -0.80 -1.46 0.00 0.00 175.22 172.55 2bpn s ASN 21 N 2.72 5.34 0.52 6.13 -0.87 -1.26 -4.25 114.94 123.27 2bpn s ASN 21 Ca 0.11 0.09 0.35 0.00 -1.57 0.00 0.00 52.86 51.83 2bpn s ASN 21 Cb -0.14 -1.73 1.86 0.00 -0.02 0.00 0.00 41.25 41.21 2bpn s ASN 21 CO -0.18 0.27 2.06 0.45 -2.57 0.00 0.00 177.10 177.14 2bpn h HIS 22 N 5.95 0.00 -0.39 2.20 3.86 -1.90 -0.92 115.15 123.96 2bpn h HIS 22 Ca -0.42 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.64 2bpn h HIS 22 Cb 1.19 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 2bpn h HIS 22 CO 0.60 0.00 -0.34 0.66 0.86 0.00 0.00 177.93 179.70 2bpn h SER 23 N 0.00 0.94 0.35 2.45 4.64 -1.93 0.25 113.55 120.24 2bpn h SER 23 Ca 0.00 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2bpn h SER 23 Cb 0.04 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 2bpn h SER 23 CO 0.00 1.19 0.00 0.35 -0.87 0.00 0.00 176.83 177.50 2bpn n THR 24 N -4.07 0.25 -2.68 2.95 -2.24 -0.35 -3.26 114.28 104.89 2bpn n THR 24 Ca -0.01 0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.75 2bpn n THR 24 Cb 0.52 -0.70 0.06 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.24 -0.06 -3.35 4.78 8.25 -0.83 -5.06 115.22 117.72 2bpn n HIS 25 Ca 0.12 -2.48 -0.45 0.00 -0.26 0.00 0.00 57.72 54.65 2bpn n HIS 25 Cb 0.16 0.29 -0.07 0.00 1.12 0.00 0.00 29.99 31.49 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 -2.02 2.99 0.00 -0.41 0.00 0.82 -4.23 119.74 116.89 2bpn s LYS 26 Ca 0.25 -1.40 0.00 0.00 0.00 0.00 0.00 55.97 54.82 2bpn s LYS 26 Cb 0.44 -4.17 0.00 0.00 0.00 0.00 0.00 37.83 34.10 2bpn s LYS 26 CO -0.01 -1.12 0.00 -1.13 0.00 0.00 0.00 175.35 173.09 2bpn n SER 27 N 5.31 0.00 -4.68 0.03 3.41 -1.26 -5.05 113.62 111.37 2bpn n SER 27 Ca -0.12 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.04 2bpn n SER 27 Cb 0.43 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.61 -1.62 -3.33 0.31 -1.26 -4.82 118.33 108.22 2bpn n VAL 28 Ca 0.00 -0.15 -0.51 0.00 -0.01 0.00 0.00 64.34 63.66 2bpn n VAL 28 Cb 0.00 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 31.27 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 2.59 1.36 0.15 5.55 4.81 -1.26 -4.76 118.16 126.61 2bpn n LYS 29 Ca 0.13 0.49 0.19 0.00 -0.87 0.00 0.00 58.31 58.25 2bpn n LYS 29 Cb 0.32 -2.17 0.77 0.00 0.02 0.00 0.00 35.03 33.96 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 -1.42 -0.82 0.07 0.00 0.00 -1.26 0.85 105.19 102.61 2bpn n GLY 31 Ca 0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 0.12 0.00 1.61 3.58 0.17 -3.37 116.42 118.53 2bpn h ASP 32 Ca 0.00 -0.13 -0.14 0.00 0.42 0.00 0.00 57.03 57.18 2bpn h ASP 32 Cb 0.13 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2bpn h ASP 32 CO 0.00 1.11 -1.29 0.00 -2.88 0.00 0.00 179.24 176.18 2bpn n HIS 34 N -3.62 4.21 -1.63 0.00 8.25 0.25 -4.99 115.22 117.69 2bpn n HIS 34 Ca -0.18 -3.01 -0.31 0.00 -0.26 0.00 0.00 57.72 53.96 2bpn n HIS 34 Cb 0.53 -2.36 0.05 0.00 1.12 0.00 0.00 29.99 29.33 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 2.53 2.98 0.24 4.41 -0.00 -1.26 -4.16 115.29 120.03 2bpn s HIS 35 Ca 0.47 1.47 -0.30 0.00 -0.00 0.00 0.00 55.06 56.69 2bpn s HIS 35 Cb 0.05 -2.95 -0.10 0.00 -0.00 0.00 0.00 32.58 29.58 2bpn s HIS 35 CO 0.01 -1.32 1.46 -2.14 -0.00 0.00 0.00 174.74 172.76 2bpn s PRO 36 N -4.78 4.25 0.00 -0.38 0.02 -1.26 -3.20 135.00 129.66 2bpn s PRO 36 Ca 0.60 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.94 2bpn s PRO 36 Cb -0.15 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.26 2bpn s PRO 36 CO 0.51 -0.45 0.00 0.28 -0.33 0.00 0.00 177.00 177.00 2bpn n VAL 37 N 2.51 0.00 -1.61 3.83 0.31 -1.23 -4.89 118.33 117.24 2bpn n VAL 37 Ca 0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.00 2bpn n VAL 37 Cb 0.40 -0.24 -0.01 0.00 -0.91 0.00 0.00 33.84 33.08 2bpn n VAL 37 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2bpn n ASN 38 N -1.63 6.15 -2.42 4.52 5.03 -1.26 -4.52 115.26 121.13 2bpn n ASN 38 Ca 0.00 -2.76 -0.03 0.00 0.87 0.00 0.00 54.58 52.66 2bpn n ASN 38 Cb 0.00 -1.59 -0.00 0.00 -1.02 0.00 0.00 39.78 37.16 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 3.70 -0.46 3.65 7.41 0.00 -1.26 -4.79 105.19 113.43 2bpn n GLY 39 Ca 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.64 2bpn n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bpn s LYS 40 N -4.88 0.12 -0.42 1.61 -2.85 -1.26 -5.11 119.74 106.94 2bpn s LYS 40 Ca 0.00 0.18 -0.39 0.00 -1.00 0.00 0.00 55.97 54.76 2bpn s LYS 40 Cb 0.00 0.04 -0.17 0.00 -2.06 0.00 0.00 37.83 35.64 2bpn s LYS 40 CO 0.00 -0.02 1.48 0.39 0.10 0.00 0.00 175.35 177.30 2bpn n GLU 41 N 2.56 0.00 -3.79 1.78 1.02 -1.26 -3.57 120.64 117.38 2bpn n GLU 41 Ca -0.15 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.67 2bpn n GLU 41 Cb 0.57 -1.27 -0.05 0.00 -0.02 0.00 0.00 31.44 30.67 2bpn n GLU 41 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2bpn s ASP 42 N 3.27 6.45 -0.08 1.62 1.11 -1.19 -4.91 116.67 122.93 2bpn s ASP 42 Ca 0.92 0.48 0.12 0.00 0.18 0.00 0.00 52.55 54.25 2bpn s ASP 42 Cb -1.27 -2.05 0.20 0.00 1.07 0.00 0.00 42.92 40.88 2bpn s ASP 42 CO 0.65 0.18 1.10 -1.22 1.18 0.00 0.00 175.17 177.06 2bpn n TYR 43 N 0.61 0.00 -2.32 4.23 4.02 -1.26 -4.45 117.16 117.99 2bpn n TYR 43 Ca -0.07 -0.63 -0.28 0.00 -0.01 0.00 0.00 57.90 56.91 2bpn n TYR 43 Cb 0.52 -0.12 0.03 0.00 -0.02 0.00 0.00 39.34 39.74 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 -1.61 3.09 0.07 -0.72 0.52 -1.26 -4.96 118.95 114.08 2bpn s ARG 44 Ca 0.21 0.16 -0.36 0.00 -0.52 0.00 0.00 55.73 55.23 2bpn s ARG 44 Cb 0.19 -2.24 -0.19 0.00 0.52 0.00 0.00 34.95 33.23 2bpn s ARG 44 CO -0.01 -0.64 0.87 1.63 0.02 0.00 0.00 175.30 177.17 2bpn n LYS 45 N -2.60 0.00 -0.27 3.54 5.02 -1.26 -4.76 118.16 117.83 2bpn n LYS 45 Ca 0.04 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.42 2bpn n LYS 45 Cb 0.57 -1.32 0.23 0.00 -0.02 0.00 0.00 35.03 34.49 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 1.64 1.47 0.00 0.00 -1.26 -3.86 105.19 101.82 2bpn n GLY 47 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.25 -2.05 2.61 -1.04 -1.25 -3.37 114.28 106.92 2bpn n THR 48 Ca 0.00 1.13 -0.42 0.00 -2.04 0.00 0.00 64.05 62.71 2bpn n THR 48 Cb 0.00 -1.88 -0.03 0.00 -1.82 0.00 0.00 70.33 66.61 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 -5.10 3.62 0.00 2.41 0.00 -1.26 -2.35 121.76 119.08 2bpn s ALA 49 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2bpn s ALA 49 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2bpn s ALA 49 CO 0.00 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.84 2bpn n GLY 50 N 4.05 1.28 0.00 0.00 0.00 -1.26 -5.06 105.19 104.20 2bpn n GLY 50 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.65 -1.20 0.00 8.25 -1.22 -4.51 115.22 117.19 2bpn n HIS 52 Ca 0.00 -0.43 -0.01 0.00 -0.26 0.00 0.00 57.72 57.02 2bpn n HIS 52 Cb 0.00 -1.80 0.24 0.00 1.12 0.00 0.00 29.99 29.55 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 14.67 3.42 -4.53 0.41 5.75 -1.24 -4.09 116.55 130.94 2bpn n ASP 53 Ca 0.44 -3.39 -0.36 0.00 -0.01 0.00 0.00 54.79 51.46 2bpn n ASP 53 Cb 0.45 -0.63 -0.11 0.00 -1.03 0.00 0.00 41.12 39.79 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 -2.03 5.52 -0.44 -1.12 0.15 -1.12 -4.99 113.70 109.67 2bpn s SER 54 Ca 0.46 -0.08 0.10 0.00 0.70 0.00 0.00 55.95 57.13 2bpn s SER 54 Cb 0.39 -1.99 0.36 0.00 -1.71 0.00 0.00 66.02 63.06 2bpn s SER 54 CO 0.06 0.01 0.84 0.23 1.20 0.00 0.00 173.24 175.57 2bpn n MET 55 N 4.65 1.87 -1.56 5.44 2.81 -1.26 -2.28 117.12 126.78 2bpn n MET 55 Ca -0.16 -3.93 0.00 0.00 -1.81 0.00 0.00 57.70 51.81 2bpn n MET 55 Cb 0.52 -1.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 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 0.04 1.81 -3.71 7.83 2.03 -1.26 -5.12 116.55 118.17 2bpn n ASP 56 Ca 0.27 -0.78 -0.30 0.00 0.52 0.00 0.00 54.79 54.50 2bpn n ASP 56 Cb 0.58 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.85 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 -1.35 1.22 0.00 -0.67 2.36 -1.26 -4.90 119.74 115.14 2bpn s LYS 57 Ca 0.00 -1.91 0.00 0.00 -2.55 0.00 0.00 55.97 51.51 2bpn s LYS 57 Cb 0.00 -2.28 0.00 0.00 -1.05 0.00 0.00 37.83 34.50 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 3.67 0.00 -1.85 4.03 5.02 -1.26 -5.11 118.16 122.66 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 -4.00 6.53 -0.22 4.39 2.15 -1.26 -4.88 116.67 119.37 2bpn s ASP 59 Ca 0.00 2.63 0.11 0.00 0.43 0.00 0.00 52.55 55.73 2bpn s ASP 59 Cb 0.00 -2.58 0.44 0.00 -0.30 0.00 0.00 42.92 40.48 2bpn s ASP 59 CO 0.00 -0.91 1.20 2.29 -0.17 0.00 0.00 175.17 177.58 2bpn n LYS 60 N 5.02 2.09 0.00 4.34 2.85 -1.26 -4.69 118.16 126.51 2bpn n LYS 60 Ca 0.16 -3.48 0.00 0.00 -1.05 0.00 0.00 58.31 53.94 2bpn n LYS 60 Cb 0.39 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 2bpn n LYS 60 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2bpn n SER 61 N -0.87 -0.99 0.00 -5.58 2.88 -1.26 -4.68 113.62 103.12 2bpn n SER 61 Ca 0.25 -0.27 0.08 0.00 -1.33 0.00 0.00 58.87 57.60 2bpn n SER 61 Cb 0.81 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.64 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 -3.00 1.82 0.74 -1.46 0.00 -1.26 -1.13 120.51 116.22 2bpn n ALA 62 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.49 2bpn n ALA 62 Cb 0.00 -1.26 0.15 0.00 0.00 0.00 0.00 19.45 18.34 2bpn n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2bpn n LYS 63 N -1.37 0.18 -2.07 0.00 5.02 -1.26 -4.63 118.16 114.03 2bpn n LYS 63 Ca 0.06 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 2bpn n LYS 63 Cb 0.15 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 2bpn n LYS 63 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2bpn s GLY 64 N -3.40 1.61 -0.01 0.72 0.00 -0.28 -2.79 107.32 103.16 2bpn s GLY 64 Ca 0.07 0.93 -0.24 0.00 0.00 0.00 0.00 44.72 45.48 2bpn s GLY 64 CO 0.74 2.87 1.24 -1.82 0.00 0.00 0.00 173.10 176.13 2bpn h TYR 65 N 8.90 0.15 -0.00 1.90 3.20 -1.71 -2.61 116.97 126.79 2bpn h TYR 65 Ca -0.38 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2bpn h TYR 65 Cb 1.18 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2bpn h TYR 65 CO 0.84 0.63 -0.00 0.98 -1.64 0.00 0.00 178.16 178.97 2bpn n TYR 66 N -4.72 0.00 1.01 -3.82 4.19 -1.26 -2.66 117.16 109.89 2bpn n TYR 66 Ca -0.08 0.00 0.10 0.00 3.31 0.00 0.00 57.90 61.23 2bpn n TYR 66 Cb 0.32 -0.03 -0.05 0.00 0.49 0.00 0.00 39.34 40.06 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 -0.93 0.00 -0.81 2.98 -0.00 -1.12 -3.63 115.22 111.72 2bpn n HIS 67 Ca 0.22 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.48 2bpn n HIS 67 Cb 0.15 -0.02 0.23 0.00 -0.12 0.00 0.00 29.99 30.23 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 -1.06 1.99 -2.10 3.57 0.24 -1.00 -3.97 118.33 116.01 2bpn n VAL 68 Ca 0.06 -1.68 -0.02 0.00 -2.04 0.00 0.00 64.34 60.66 2bpn n VAL 68 Cb 0.37 -0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.29 0.00 0.17 7.34 -0.00 -1.24 -4.72 117.12 118.37 2bpn n MET 69 Ca 0.19 -0.91 0.00 0.00 -0.00 0.00 0.00 57.70 56.98 2bpn n MET 69 Cb 0.78 0.09 0.00 0.00 -0.00 0.00 0.00 33.22 34.09 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 0.10 -3.38 -0.50 3.17 -0.00 -1.24 -3.72 115.22 109.65 2bpn n HIS 70 Ca -0.08 0.92 -0.21 0.00 -0.00 0.00 0.00 57.72 58.34 2bpn n HIS 70 Cb 0.73 2.09 0.17 0.00 -0.00 0.00 0.00 29.99 32.98 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 -3.37 -3.09 0.00 0.41 9.92 -1.25 -3.44 116.55 115.72 2bpn n ASP 71 Ca 0.00 -0.43 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 2bpn n ASP 71 Cb 0.00 -0.83 0.00 0.00 -0.64 0.00 0.00 41.12 39.65 2bpn n ASP 71 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2bpn n LYS 72 N -2.42 0.00 0.15 -1.24 2.85 -1.26 -4.02 118.16 112.23 2bpn n LYS 72 Ca 0.06 0.00 0.18 0.00 -1.05 0.00 0.00 58.31 57.50 2bpn n LYS 72 Cb 0.42 -0.26 0.64 0.00 -0.65 0.00 0.00 35.03 35.17 2bpn n LYS 72 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2bpn h ASN 73 N 0.00 0.00 -1.76 -5.58 4.21 -1.94 -3.43 115.58 107.08 2bpn h ASN 73 Ca 0.00 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.99 2bpn h ASN 73 Cb 0.17 0.00 0.25 0.00 -1.12 0.00 0.00 38.32 37.62 2bpn h ASN 73 CO 0.00 0.00 -2.04 0.35 -1.29 0.00 0.00 177.43 174.45 2bpn n THR 74 N -3.24 0.00 -0.34 2.81 -2.24 -1.26 -4.81 114.28 105.20 2bpn n THR 74 Ca 0.06 -0.28 -0.03 0.00 -2.27 0.00 0.00 64.05 61.53 2bpn n THR 74 Cb 0.73 -0.08 0.09 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.11 1.24 -6.12 -0.78 1.63 -1.98 -3.43 116.57 106.03 2bpn h LYS 75 Ca -0.43 -0.10 -0.55 0.00 -0.85 0.00 0.00 60.65 58.72 2bpn h LYS 75 Cb 1.34 -0.27 -0.08 0.00 -0.60 0.00 0.00 32.23 32.62 2bpn h LYS 75 CO 0.24 0.85 -0.58 -0.06 -3.45 0.00 0.00 179.45 176.45 2bpn s PHE 76 N -6.03 2.69 0.74 1.91 0.08 -1.26 -5.12 117.98 111.00 2bpn s PHE 76 Ca -0.13 -0.34 -0.12 0.00 0.12 0.00 0.00 56.93 56.46 2bpn s PHE 76 Cb 0.17 -1.49 0.04 0.00 -0.57 0.00 0.00 43.02 41.17 2bpn s PHE 76 CO 0.81 0.44 1.11 0.15 -0.10 0.00 0.00 175.22 177.63 2bpn s LYS 77 N -3.78 2.37 0.04 0.44 1.02 -1.26 -4.84 119.74 113.73 2bpn s LYS 77 Ca 0.35 1.30 0.00 0.00 0.02 0.00 0.00 55.97 57.64 2bpn s LYS 77 Cb -0.03 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 2bpn s LYS 77 CO 0.21 -1.57 0.00 -1.13 -0.92 0.00 0.00 175.35 171.94 2bpn n SER 78 N -3.14 2.09 0.01 2.83 3.41 -1.26 -4.90 113.62 112.65 2bpn n SER 78 Ca 0.10 -1.16 -0.18 0.00 -0.26 0.00 0.00 58.87 57.37 2bpn n SER 78 Cb 0.52 0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.54 1.46 0.00 0.00 2.07 -1.72 -3.08 116.25 114.43 2bpn h VAL 80 Ca -0.09 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.01 2bpn h VAL 80 Cb 1.37 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2bpn h VAL 80 CO 0.10 0.71 0.00 0.61 0.02 0.00 0.00 177.57 179.01 2bpn n GLY 81 N 0.71 -2.79 0.31 2.17 0.00 -1.22 0.17 105.19 104.53 2bpn n GLY 81 Ca -0.03 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 0.74 -0.10 0.00 3.86 -1.39 0.59 115.15 118.83 2bpn h HIS 83 Ca 0.38 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.47 2bpn h HIS 83 Cb 0.59 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2bpn h HIS 83 CO -0.65 0.34 -0.54 0.28 0.86 0.00 0.00 177.93 178.23 2bpn h VAL 84 N 0.69 1.35 0.00 2.45 2.07 1.26 1.05 116.25 125.12 2bpn h VAL 84 Ca 0.36 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 66.06 2bpn h VAL 84 Cb 0.47 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2bpn h VAL 84 CO -0.13 0.54 -0.06 -0.33 0.02 0.00 0.00 177.57 177.61 2bpn h GLU 85 N 0.23 0.00 0.00 1.57 5.08 0.24 -3.35 114.58 118.35 2bpn h GLU 85 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 2bpn h GLU 85 Cb 1.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2bpn h GLU 85 CO 0.09 0.00 -1.07 0.28 -1.00 0.00 0.00 179.01 177.31 2bpn n VAL 86 N -3.07 1.48 -1.87 3.13 0.31 0.18 -4.96 118.33 113.53 2bpn n VAL 86 Ca 0.04 0.05 -0.30 0.00 -0.01 0.00 0.00 64.34 64.12 2bpn n VAL 86 Cb 0.53 -2.20 0.06 0.00 -0.91 0.00 0.00 33.84 31.32 2bpn n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bpn s ALA 87 N -2.59 2.82 0.00 3.52 0.00 0.36 -4.55 121.76 121.32 2bpn s ALA 87 Ca -0.24 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2bpn s ALA 87 Cb 0.05 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2bpn s ALA 87 CO 0.41 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.32 2bpn n GLY 88 N -3.01 2.62 0.24 0.00 0.00 -1.26 -4.66 105.19 99.13 2bpn n GLY 88 Ca 0.07 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.69 2bpn n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn h ALA 89 N 0.00 1.15 -4.00 4.61 0.00 -1.95 -3.42 119.26 115.64 2bpn h ALA 89 Ca 0.00 -0.15 -0.67 0.00 0.00 0.00 0.00 54.91 54.09 2bpn h ALA 89 Cb 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 17.53 2bpn h ALA 89 CO 0.00 0.21 -0.87 0.34 0.00 0.00 0.00 179.25 178.94 2bpn s ASP 90 N -6.15 3.12 -0.23 0.00 -1.08 -1.26 -5.01 116.67 106.06 2bpn s ASP 90 Ca -0.01 -0.68 0.05 0.00 -0.52 0.00 0.00 52.55 51.39 2bpn s ASP 90 Cb 0.12 -0.23 0.47 0.00 -1.46 0.00 0.00 42.92 41.82 2bpn s ASP 90 CO 0.61 0.19 1.46 0.00 0.52 0.00 0.00 175.17 177.94 2bpn n ALA 91 N 1.24 4.01 -0.08 3.66 0.00 -1.26 -3.59 120.51 124.49 2bpn n ALA 91 Ca -0.18 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 51.68 2bpn n ALA 91 Cb 0.53 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.14 2.72 0.10 0.00 0.00 -1.26 -4.67 120.51 117.25 2bpn n ALA 92 Ca 0.29 -0.02 0.20 0.00 0.00 0.00 0.00 53.44 53.91 2bpn n ALA 92 Cb 1.08 0.00 0.76 0.00 0.00 0.00 0.00 19.45 21.29 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 0.00 0.00 6.56 -1.98 1.32 116.57 122.47 2bpn h LYS 93 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2bpn h LYS 93 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2bpn h LYS 93 CO 0.00 0.00 0.00 0.36 -2.06 0.00 0.00 179.45 177.75 2bpn n LYS 94 N -3.85 0.11 0.00 3.15 -0.00 -1.24 0.21 118.16 116.55 2bpn n LYS 94 Ca 0.06 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 2bpn n LYS 94 Cb 0.55 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.08 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 -1.37 -0.58 -0.02 -1.58 5.02 0.45 -3.77 118.16 116.32 2bpn n LYS 95 Ca 0.05 -0.50 -0.01 0.00 -2.02 0.00 0.00 58.31 55.83 2bpn n LYS 95 Cb 0.11 -0.98 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 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 -0.03 4.13 -0.06 4.39 8.00 -0.10 -3.51 116.55 129.36 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 0.64 -0.13 0.00 -0.02 0.00 0.00 41.12 41.63 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 -2.08 2.35 -0.65 0.64 4.77 0.58 -2.43 117.00 120.17 2bpn n LEU 97 Ca -0.05 0.26 0.08 0.00 -0.03 0.00 0.00 56.01 56.26 2bpn n LEU 97 Cb 0.56 -1.02 0.08 0.00 -2.33 0.00 0.00 43.42 40.71 2bpn n LEU 97 CO 0.08 0.64 0.51 0.35 -1.33 0.00 0.00 177.39 177.64 2bpn n THR 98 N -3.86 0.06 -1.07 -5.08 -2.24 -1.23 -4.89 114.28 95.97 2bpn n THR 98 Ca -0.36 -0.53 -0.33 0.00 -2.27 0.00 0.00 64.05 60.56 2bpn n THR 98 Cb 0.90 1.28 0.13 0.00 -2.10 0.00 0.00 70.33 70.54 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 -1.30 2.08 -0.25 3.38 0.00 -1.23 -4.90 107.32 105.09 2bpn s GLY 99 Ca 0.19 0.79 -0.09 0.00 0.00 0.00 0.00 44.72 45.62 2bpn s GLY 99 CO 0.20 1.21 -0.20 0.00 0.00 0.00 0.00 173.10 174.31 2bpn s LYS 101 N -2.50 2.45 0.00 0.00 0.00 -1.26 -4.41 119.74 114.01 2bpn s LYS 101 Ca -0.35 -0.76 0.00 0.00 0.00 0.00 0.00 55.97 54.86 2bpn s LYS 101 Cb 0.11 -2.40 0.00 0.00 0.00 0.00 0.00 37.83 35.54 2bpn s LYS 101 CO 0.56 0.60 0.00 1.17 0.00 0.00 0.00 175.35 177.68 2bpn n LYS 102 N 1.83 -0.41 -2.62 1.78 4.81 -1.08 -4.95 118.16 117.52 2bpn n LYS 102 Ca -0.16 0.10 -0.33 0.00 -0.87 0.00 0.00 58.31 57.05 2bpn n LYS 102 Cb 0.52 -3.51 -0.05 0.00 0.02 0.00 0.00 35.03 32.01 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 -2.28 6.70 0.26 3.14 0.15 -1.12 -4.76 113.70 115.79 2bpn s SER 103 Ca 0.00 1.70 -0.02 0.00 0.70 0.00 0.00 55.95 58.32 2bpn s SER 103 Cb 0.00 -2.53 0.47 0.00 -1.71 0.00 0.00 66.02 62.25 2bpn s SER 103 CO 0.00 -0.53 1.79 0.11 1.20 0.00 0.00 173.24 175.81 2bpn h LYS 104 N 1.49 0.69 0.51 5.44 6.56 -1.82 1.44 116.57 130.88 2bpn h LYS 104 Ca -0.48 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.04 2bpn h LYS 104 Cb 1.19 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 2bpn h LYS 104 CO 0.61 0.46 -0.24 0.00 -2.06 0.00 0.00 179.45 178.21 2bpn n HIS 106 N -4.78 2.67 1.75 0.00 8.25 -0.96 -4.54 115.22 117.62 2bpn n HIS 106 Ca -0.08 -2.57 0.15 0.00 -0.26 0.00 0.00 57.72 54.96 2bpn n HIS 106 Cb 0.27 -1.20 0.74 0.00 1.12 0.00 0.00 29.99 30.91 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07