#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 1.55 -1.32 0.00 -0.02 -1.26 -4.94 135.00 129.00 2bpn n PRO 2 Ca 0.00 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 2bpn n PRO 2 Cb 0.00 -2.83 0.19 0.00 -0.02 0.00 0.00 33.50 30.83 2bpn n PRO 2 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2bpn s LYS 3 N 6.18 0.05 -0.68 -0.52 1.02 -1.26 -5.01 119.74 119.52 2bpn s LYS 3 Ca 1.05 0.14 -0.01 0.00 0.02 0.00 0.00 55.97 57.17 2bpn s LYS 3 Cb -0.61 -1.73 0.17 0.00 -0.52 0.00 0.00 37.83 35.15 2bpn s LYS 3 CO 0.43 -2.91 0.50 0.00 -0.92 0.00 0.00 175.35 172.45 2bpn s ALA 4 N -3.17 3.73 1.00 5.17 0.00 -1.26 -5.08 121.76 122.15 2bpn s ALA 4 Ca 0.68 -3.47 -0.19 0.00 0.00 0.00 0.00 51.96 48.98 2bpn s ALA 4 Cb -0.13 -2.59 -0.15 0.00 0.00 0.00 0.00 23.12 20.25 2bpn s ALA 4 CO 0.55 -2.11 -0.91 -2.30 0.00 0.00 0.00 175.76 170.99 2bpn n PRO 5 N 3.00 -0.01 -2.62 0.00 -0.02 -1.26 -4.89 135.00 129.19 2bpn n PRO 5 Ca 0.12 -0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.27 2bpn n PRO 5 Cb 0.37 -1.02 -0.05 0.00 -0.02 0.00 0.00 33.50 32.77 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 -2.01 3.01 1.08 3.55 0.00 -1.26 -4.89 121.76 121.24 2bpn s ALA 6 Ca 0.40 0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 2bpn s ALA 6 Cb -0.13 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.84 2bpn s ALA 6 CO 0.80 -0.09 -0.49 -0.25 0.00 0.00 0.00 175.76 175.73 2bpn n ASP 7 N -1.03 -2.60 0.00 0.00 9.92 -1.26 -4.59 116.55 116.99 2bpn n ASP 7 Ca 0.07 -0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 2bpn n ASP 7 Cb 0.54 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 2bpn n ASP 7 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bpn n GLY 8 N 2.53 1.69 3.53 0.44 0.00 -1.26 -5.08 105.19 107.04 2bpn n GLY 8 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.56 -0.01 0.99 0.05 -1.26 -5.08 118.68 116.93 2bpn s LEU 9 Ca 0.00 -0.08 0.03 0.00 0.05 0.00 0.00 54.13 54.12 2bpn s LEU 9 Cb 0.00 -1.92 -0.01 0.00 -2.05 0.00 0.00 46.19 42.21 2bpn s LEU 9 CO 0.00 0.07 -0.08 -1.59 -0.55 0.00 0.00 176.35 174.20 2bpn s LYS 10 N 0.96 0.67 -0.27 1.48 0.00 -1.26 -1.99 119.74 119.33 2bpn s LYS 10 Ca 0.03 -0.31 -0.09 0.00 0.00 0.00 0.00 55.97 55.61 2bpn s LYS 10 Cb -0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 37.83 37.02 2bpn s LYS 10 CO 0.03 0.18 0.11 -1.64 0.00 0.00 0.00 175.35 174.03 2bpn s MET 11 N -0.22 3.61 -0.39 1.78 -1.94 0.12 -4.95 119.30 117.31 2bpn s MET 11 Ca 0.03 -0.52 0.11 0.00 -1.71 0.00 0.00 55.69 53.60 2bpn s MET 11 Cb -0.03 -3.45 0.36 0.00 2.01 0.00 0.00 34.83 33.72 2bpn s MET 11 CO -0.00 -0.25 0.90 -0.85 -0.01 0.00 0.00 175.02 174.80 2bpn n GLU 12 N 4.96 1.01 0.09 2.03 -0.00 -1.26 0.14 120.64 127.61 2bpn n GLU 12 Ca -0.15 -2.88 0.12 0.00 -0.00 0.00 0.00 57.16 54.25 2bpn n GLU 12 Cb 0.51 -1.38 0.16 0.00 -0.00 0.00 0.00 31.44 30.72 2bpn n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2bpn h ALA 13 N 2.95 0.65 -3.00 -1.84 0.00 -1.93 -3.47 119.26 112.61 2bpn h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bpn h ALA 13 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2bpn h ALA 13 CO 0.37 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.87 2bpn n THR 14 N -2.34 0.00 -0.20 0.00 -2.24 -1.26 -4.99 114.28 103.25 2bpn n THR 14 Ca 0.03 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2bpn n THR 14 Cb 0.47 -0.36 0.20 0.00 -2.10 0.00 0.00 70.33 68.55 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 2.86 -3.36 -0.78 5.02 -1.26 -4.53 118.16 116.11 2bpn n LYS 15 Ca 0.00 -1.86 -0.19 0.00 -2.02 0.00 0.00 58.31 54.23 2bpn n LYS 15 Cb 0.00 -1.89 -0.08 0.00 -0.02 0.00 0.00 35.03 33.04 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 -2.03 0.67 0.14 1.97 -1.52 -1.26 -5.12 119.66 112.50 2bpn s GLN 16 Ca 0.33 -1.06 -0.31 0.00 -1.95 0.00 0.00 55.36 52.37 2bpn s GLN 16 Cb 0.26 -0.85 -0.09 0.00 -0.22 0.00 0.00 33.01 32.12 2bpn s GLN 16 CO 0.09 -1.22 1.45 -2.14 -0.25 0.00 0.00 175.29 173.21 2bpn s PRO 17 N 1.22 4.29 -0.06 2.91 0.02 -1.26 -4.72 135.00 137.40 2bpn s PRO 17 Ca 0.19 2.18 -0.02 0.00 0.02 0.00 0.00 61.00 63.37 2bpn s PRO 17 Cb -0.15 -3.21 0.03 0.00 0.02 0.00 0.00 34.50 31.19 2bpn s PRO 17 CO -0.03 -0.48 0.02 0.08 -0.33 0.00 0.00 177.00 176.26 2bpn s VAL 18 N 1.04 0.21 0.36 3.83 1.01 0.37 -4.83 120.40 122.38 2bpn s VAL 18 Ca 0.66 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 2bpn s VAL 18 Cb -0.39 -0.41 -0.07 0.00 0.00 0.00 0.00 36.38 35.50 2bpn s VAL 18 CO 0.31 0.22 0.72 0.54 0.00 0.00 0.00 175.10 176.90 2bpn s VAL 19 N 2.04 4.79 -0.25 2.92 0.11 -1.26 0.15 120.40 128.90 2bpn s VAL 19 Ca 0.05 0.66 -0.07 0.00 -2.93 0.00 0.00 61.98 59.68 2bpn s VAL 19 Cb -0.12 -3.69 0.12 0.00 -1.53 0.00 0.00 36.38 31.16 2bpn s VAL 19 CO -0.05 -0.37 0.51 0.12 -3.33 0.00 0.00 175.10 171.99 2bpn s PHE 20 N -2.19 -1.07 -0.16 1.54 2.19 -0.84 -4.90 117.98 112.55 2bpn s PHE 20 Ca 0.51 1.77 -0.06 0.00 0.33 0.00 0.00 56.93 59.48 2bpn s PHE 20 Cb -0.10 0.48 -0.04 0.00 -1.31 0.00 0.00 43.02 42.05 2bpn s PHE 20 CO 0.26 -0.60 0.04 -0.80 1.83 0.00 0.00 175.22 175.95 2bpn s ASN 21 N 2.73 5.45 0.54 6.13 -0.87 -1.26 -4.30 114.94 123.36 2bpn s ASN 21 Ca 0.00 0.06 0.21 0.00 -1.57 0.00 0.00 52.86 51.56 2bpn s ASN 21 Cb -0.13 -1.88 1.41 0.00 -0.02 0.00 0.00 41.25 40.63 2bpn s ASN 21 CO -0.16 0.20 2.14 0.45 -2.57 0.00 0.00 177.10 177.16 2bpn h HIS 22 N 6.48 0.00 -0.76 2.20 3.86 -1.90 -1.43 115.15 123.59 2bpn h HIS 22 Ca -0.38 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 58.91 2bpn h HIS 22 Cb 1.18 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.58 2bpn h HIS 22 CO 0.57 0.00 0.43 0.66 0.86 0.00 0.00 177.93 180.45 2bpn h SER 23 N 0.00 0.62 0.34 2.45 4.64 -1.93 1.34 113.55 121.01 2bpn h SER 23 Ca 0.05 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2bpn h SER 23 Cb 0.21 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2bpn h SER 23 CO -0.00 0.38 0.00 0.35 -0.87 0.00 0.00 176.83 176.69 2bpn n THR 24 N -4.76 0.18 -2.75 2.95 -2.24 -0.55 -3.14 114.28 103.98 2bpn n THR 24 Ca 0.11 0.05 -0.04 0.00 -2.27 0.00 0.00 64.05 61.90 2bpn n THR 24 Cb 0.23 -0.65 0.05 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.22 0.75 -3.31 4.78 8.25 0.18 -5.05 115.22 119.59 2bpn n HIS 25 Ca 0.13 -2.35 -0.45 0.00 -0.26 0.00 0.00 57.72 54.79 2bpn n HIS 25 Cb 0.17 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.17 2bpn n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2bpn s LYS 26 N -3.01 2.99 0.00 -0.41 1.02 0.41 -4.22 119.74 116.52 2bpn s LYS 26 Ca 0.25 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.69 2bpn s LYS 26 Cb 0.39 -4.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 2bpn s LYS 26 CO -0.02 -1.25 0.00 0.45 -0.92 0.00 0.00 175.35 173.61 2bpn n SER 27 N 5.35 0.00 -4.67 2.83 2.88 -1.26 -5.04 113.62 113.70 2bpn n SER 27 Ca -0.13 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 56.97 2bpn n SER 27 Cb 0.41 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.85 2bpn n SER 27 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2bpn n VAL 28 N 0.00 1.17 -1.69 2.46 0.31 -1.26 -4.79 118.33 114.53 2bpn n VAL 28 Ca 0.00 -0.29 -0.55 0.00 -0.01 0.00 0.00 64.34 63.49 2bpn n VAL 28 Cb 0.00 -1.49 -0.07 0.00 -0.91 0.00 0.00 33.84 31.38 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 1.73 1.29 0.21 5.55 4.81 -1.26 -4.75 118.16 125.75 2bpn n LYS 29 Ca 0.10 0.47 0.18 0.00 -0.87 0.00 0.00 58.31 58.19 2bpn n LYS 29 Cb 0.32 -2.17 0.79 0.00 0.02 0.00 0.00 35.03 34.00 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 -1.36 -0.94 0.09 0.00 0.00 -1.26 0.12 105.19 101.83 2bpn n GLY 31 Ca 0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 0.19 0.00 1.61 1.82 0.18 -3.36 116.42 116.86 2bpn h ASP 32 Ca 0.00 -0.23 -0.24 0.00 -0.39 0.00 0.00 57.03 56.17 2bpn h ASP 32 Cb 0.15 -0.06 -0.04 0.00 0.68 0.00 0.00 39.33 40.06 2bpn h ASP 32 CO 0.00 1.19 -1.86 0.00 -1.61 0.00 0.00 179.24 176.96 2bpn s HIS 34 N -2.29 3.82 0.52 0.00 3.76 0.32 -5.03 115.29 116.39 2bpn s HIS 34 Ca -0.21 -2.28 -0.16 0.00 -0.15 0.00 0.00 55.06 52.26 2bpn s HIS 34 Cb 0.06 -4.05 -0.07 0.00 1.11 0.00 0.00 32.58 29.63 2bpn s HIS 34 CO 0.31 -1.17 0.99 -3.38 -0.85 0.00 0.00 174.74 170.65 2bpn s HIS 35 N 0.31 3.44 0.07 1.40 -0.00 -1.26 -4.01 115.29 115.25 2bpn s HIS 35 Ca 0.33 1.46 -0.31 0.00 -0.00 0.00 0.00 55.06 56.55 2bpn s HIS 35 Cb -0.07 -2.80 -0.06 0.00 -0.00 0.00 0.00 32.58 29.65 2bpn s HIS 35 CO -0.05 -0.42 1.23 -1.25 -0.00 0.00 0.00 174.74 174.24 2bpn s PRO 36 N -4.13 4.42 0.00 -0.38 0.04 -1.26 -2.33 135.00 131.36 2bpn s PRO 36 Ca 0.59 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2bpn s PRO 36 Cb -0.10 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2bpn s PRO 36 CO 0.33 -0.28 0.00 0.28 0.04 0.00 0.00 177.00 177.37 2bpn n VAL 37 N 3.91 0.00 -1.04 -0.36 0.31 -1.22 -4.87 118.33 115.06 2bpn n VAL 37 Ca 0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.11 2bpn n VAL 37 Cb 0.46 -0.40 -0.02 0.00 -0.91 0.00 0.00 33.84 32.96 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 -1.44 5.42 -2.56 4.52 5.03 -1.26 -4.42 115.26 120.55 2bpn n ASN 38 Ca 0.00 -2.49 -0.05 0.00 0.87 0.00 0.00 54.58 52.91 2bpn n ASN 38 Cb 0.00 -1.27 -0.00 0.00 -1.02 0.00 0.00 39.78 37.49 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 3.87 -0.50 3.65 7.41 0.00 -1.26 -4.81 105.19 113.54 2bpn n GLY 39 Ca 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.55 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 -5.09 0.29 -0.37 1.61 -2.85 -1.26 -5.12 119.74 106.95 2bpn s LYS 40 Ca 0.03 0.46 -0.38 0.00 -1.00 0.00 0.00 55.97 55.08 2bpn s LYS 40 Cb -0.02 0.07 -0.16 0.00 -2.06 0.00 0.00 37.83 35.66 2bpn s LYS 40 CO 0.04 -0.05 1.27 0.39 0.10 0.00 0.00 175.35 177.09 2bpn n GLU 41 N 3.22 0.00 -3.45 1.78 1.02 -1.26 -3.46 120.64 118.49 2bpn n GLU 41 Ca -0.17 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.60 2bpn n GLU 41 Cb 0.57 -1.23 -0.07 0.00 -0.02 0.00 0.00 31.44 30.70 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 2.23 6.53 -0.09 1.62 -1.08 -0.98 -4.89 116.67 120.00 2bpn s ASP 42 Ca 0.85 0.63 0.13 0.00 -0.52 0.00 0.00 52.55 53.64 2bpn s ASP 42 Cb -1.21 -2.22 0.21 0.00 -1.46 0.00 0.00 42.92 38.24 2bpn s ASP 42 CO 0.65 0.06 1.11 -1.22 0.52 0.00 0.00 175.17 176.29 2bpn n TYR 43 N 3.62 0.00 -2.87 -5.34 4.02 -1.26 -4.25 117.16 111.08 2bpn n TYR 43 Ca -0.10 -0.72 -0.20 0.00 -0.01 0.00 0.00 57.90 56.87 2bpn n TYR 43 Cb 0.52 -0.12 0.06 0.00 -0.02 0.00 0.00 39.34 39.77 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 -2.01 2.31 0.13 -0.72 0.52 -1.26 -5.01 118.95 112.91 2bpn s ARG 44 Ca 0.23 -1.31 -0.28 0.00 -0.52 0.00 0.00 55.73 53.85 2bpn s ARG 44 Cb 0.20 -2.58 -0.16 0.00 0.52 0.00 0.00 34.95 32.94 2bpn s ARG 44 CO 0.02 -0.84 0.60 1.63 0.02 0.00 0.00 175.30 176.72 2bpn n LYS 45 N -2.31 0.00 -0.06 3.54 5.02 -1.26 -4.82 118.16 118.27 2bpn n LYS 45 Ca 0.13 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.31 2bpn n LYS 45 Cb 0.60 -1.01 -0.04 0.00 -0.02 0.00 0.00 35.03 34.56 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 -0.77 -0.09 1.20 0.00 0.00 -1.26 -3.91 105.19 100.36 2bpn n GLY 47 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.33 -0.19 -3.02 2.61 -1.04 -1.26 -2.85 114.28 108.19 2bpn n THR 48 Ca 0.00 0.45 -0.41 0.00 -2.04 0.00 0.00 64.05 62.05 2bpn n THR 48 Cb 0.00 -0.80 -0.05 0.00 -1.82 0.00 0.00 70.33 67.65 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 -3.58 3.61 0.00 2.41 0.00 -1.26 -3.57 121.76 119.37 2bpn s ALA 49 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2bpn s ALA 49 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2bpn s ALA 49 CO 0.00 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2bpn n GLY 50 N 3.92 1.84 0.00 0.00 0.00 -1.26 -5.05 105.19 104.64 2bpn n GLY 50 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.74 -1.16 0.00 8.25 -1.13 -4.54 115.22 117.38 2bpn n HIS 52 Ca 0.00 -0.42 -0.04 0.00 -0.26 0.00 0.00 57.72 57.00 2bpn n HIS 52 Cb 0.00 -1.94 0.26 0.00 1.12 0.00 0.00 29.99 29.43 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 15.47 3.91 -4.33 0.41 5.75 -1.25 -4.15 116.55 132.36 2bpn n ASP 53 Ca 0.44 -3.35 -0.35 0.00 -0.01 0.00 0.00 54.79 51.52 2bpn n ASP 53 Cb 0.45 -0.68 -0.14 0.00 -1.03 0.00 0.00 41.12 39.72 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 -1.66 4.30 -0.47 -1.12 0.15 -1.12 -5.01 113.70 108.77 2bpn s SER 54 Ca 0.50 -0.36 0.08 0.00 0.70 0.00 0.00 55.95 56.87 2bpn s SER 54 Cb 0.41 -1.73 0.37 0.00 -1.71 0.00 0.00 66.02 63.37 2bpn s SER 54 CO 0.09 0.02 0.92 0.23 1.20 0.00 0.00 173.24 175.70 2bpn n MET 55 N 4.51 2.45 -2.14 5.44 2.81 -1.26 -0.98 117.12 127.95 2bpn n MET 55 Ca -0.18 -4.24 -0.04 0.00 -1.81 0.00 0.00 57.70 51.43 2bpn n MET 55 Cb 0.51 -1.99 -0.01 0.00 -0.71 0.00 0.00 33.22 31.02 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 -0.13 1.83 -3.66 7.83 -0.08 -1.26 -5.08 116.55 115.99 2bpn n ASP 56 Ca 0.29 -1.27 -0.29 0.00 -1.51 0.00 0.00 54.79 52.00 2bpn n ASP 56 Cb 0.56 0.03 -0.14 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 -2.26 0.88 0.00 -0.67 2.47 -1.26 -4.86 119.74 114.04 2bpn s LYS 57 Ca 0.01 -1.47 0.00 0.00 -1.56 0.00 0.00 55.97 52.95 2bpn s LYS 57 Cb -0.00 -1.94 0.00 0.00 -1.46 0.00 0.00 37.83 34.43 2bpn s LYS 57 CO 0.01 -1.11 0.00 1.63 0.16 0.00 0.00 175.35 176.04 2bpn n LYS 58 N 4.17 0.00 -1.67 4.03 4.76 -1.26 -5.11 118.16 123.08 2bpn n LYS 58 Ca 0.05 0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 55.02 2bpn n LYS 58 Cb 0.38 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.52 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 3.24 -1.61 4.39 -0.08 -1.26 -4.85 116.55 116.37 2bpn n ASP 59 Ca 0.00 1.03 -0.15 0.00 -1.51 0.00 0.00 54.79 54.16 2bpn n ASP 59 Cb 0.00 -1.39 0.15 0.00 2.34 0.00 0.00 41.12 42.22 2bpn n ASP 59 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2bpn n LYS 60 N 5.10 2.30 -2.04 -0.67 4.01 -1.26 -4.71 118.16 120.89 2bpn n LYS 60 Ca 0.20 -3.35 -0.29 0.00 -0.51 0.00 0.00 58.31 54.36 2bpn n LYS 60 Cb 0.29 -2.01 0.17 0.00 -0.51 0.00 0.00 35.03 32.96 2bpn n LYS 60 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2bpn s SER 61 N -2.47 3.43 0.00 4.39 0.01 -1.26 -4.92 113.70 112.88 2bpn s SER 61 Ca 0.50 0.20 0.21 0.00 1.31 0.00 0.00 55.95 58.17 2bpn s SER 61 Cb 0.43 -0.33 1.06 0.00 0.21 0.00 0.00 66.02 67.39 2bpn s SER 61 CO 0.02 -2.52 1.66 0.00 0.41 0.00 0.00 173.24 172.80 2bpn n ALA 62 N -3.57 2.10 0.75 1.44 0.00 -1.26 -1.65 120.51 118.31 2bpn n ALA 62 Ca 0.15 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.61 2bpn n ALA 62 Cb 0.60 -1.34 0.21 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.27 0.17 -2.14 0.00 5.02 -1.26 -4.67 118.16 114.01 2bpn n LYS 63 Ca 0.10 0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 56.01 2bpn n LYS 63 Cb 0.16 -1.60 -0.02 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 -3.38 1.35 0.03 0.72 0.00 -0.66 -2.81 107.32 102.57 2bpn s GLY 64 Ca 0.08 0.56 -0.26 0.00 0.00 0.00 0.00 44.72 45.10 2bpn s GLY 64 CO 0.71 2.93 1.43 -1.82 0.00 0.00 0.00 173.10 176.35 2bpn h TYR 65 N 10.10 -0.29 0.00 1.90 3.20 -1.32 -2.10 116.97 128.45 2bpn h TYR 65 Ca -0.34 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.53 2bpn h TYR 65 Cb 1.15 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.52 2bpn h TYR 65 CO 0.89 -0.02 0.00 0.98 -1.64 0.00 0.00 178.16 178.37 2bpn n TYR 66 N -5.13 0.00 1.00 -3.82 4.19 -1.26 -1.97 117.16 110.18 2bpn n TYR 66 Ca -0.09 0.00 0.10 0.00 3.31 0.00 0.00 57.90 61.22 2bpn n TYR 66 Cb 0.22 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 39.98 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 -1.00 0.00 -0.71 2.98 -0.00 -0.85 -3.57 115.22 112.08 2bpn n HIS 67 Ca 0.18 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.43 2bpn n HIS 67 Cb 0.08 -0.02 0.21 0.00 -0.12 0.00 0.00 29.99 30.14 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 -1.31 1.83 -2.08 3.57 0.24 -0.83 -3.81 118.33 115.94 2bpn n VAL 68 Ca 0.05 -1.60 -0.01 0.00 -2.04 0.00 0.00 64.34 60.74 2bpn n VAL 68 Cb 0.35 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.71 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 -0.25 0.00 0.12 7.34 -0.00 -1.23 -4.68 117.12 118.43 2bpn n MET 69 Ca 0.17 -0.81 0.00 0.00 -0.00 0.00 0.00 57.70 57.06 2bpn n MET 69 Cb 0.71 -0.08 0.00 0.00 -0.00 0.00 0.00 33.22 33.86 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 0.08 -2.80 -0.26 3.17 -0.00 -1.23 -4.02 115.22 110.15 2bpn n HIS 70 Ca -0.04 0.66 -0.12 0.00 -0.00 0.00 0.00 57.72 58.22 2bpn n HIS 70 Cb 0.70 1.70 0.12 0.00 -0.00 0.00 0.00 29.99 32.51 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 -3.06 -2.63 0.00 0.41 9.92 -1.25 -3.64 116.55 116.30 2bpn n ASP 71 Ca 0.00 -0.36 0.00 0.00 -0.53 0.00 0.00 54.79 53.90 2bpn n ASP 71 Cb 0.00 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 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 -2.11 0.00 0.15 -1.24 2.85 -1.26 -3.82 118.16 112.73 2bpn n LYS 72 Ca 0.06 0.00 0.18 0.00 -1.05 0.00 0.00 58.31 57.49 2bpn n LYS 72 Cb 0.24 -0.09 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 -1.79 -5.58 4.21 -1.94 -3.43 115.58 107.05 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 0.00 0.00 0.24 0.00 -1.12 0.00 0.00 38.32 37.44 2bpn h ASN 73 CO 0.00 0.00 -2.01 0.35 -1.29 0.00 0.00 177.43 174.48 2bpn n THR 74 N -3.24 0.00 -0.31 2.81 -2.24 -1.26 -4.82 114.28 105.22 2bpn n THR 74 Ca 0.06 -0.28 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 2bpn n THR 74 Cb 0.72 -0.10 0.08 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.13 1.19 -6.29 -0.78 1.63 -1.99 -3.43 116.57 105.77 2bpn h LYS 75 Ca -0.43 -0.15 -0.59 0.00 -0.85 0.00 0.00 60.65 58.63 2bpn h LYS 75 Cb 1.34 -0.23 -0.10 0.00 -0.60 0.00 0.00 32.23 32.65 2bpn h LYS 75 CO 0.24 0.89 -0.63 -0.06 -3.45 0.00 0.00 179.45 176.44 2bpn s PHE 76 N -5.80 2.90 0.78 1.91 0.08 -1.26 -5.11 117.98 111.49 2bpn s PHE 76 Ca -0.13 -0.12 -0.13 0.00 0.12 0.00 0.00 56.93 56.67 2bpn s PHE 76 Cb 0.16 -1.39 0.06 0.00 -0.57 0.00 0.00 43.02 41.29 2bpn s PHE 76 CO 0.82 0.53 1.16 0.15 -0.10 0.00 0.00 175.22 177.78 2bpn s LYS 77 N -3.10 1.96 0.15 0.44 1.02 -1.26 -4.85 119.74 114.10 2bpn s LYS 77 Ca 0.29 1.55 0.00 0.00 0.02 0.00 0.00 55.97 57.83 2bpn s LYS 77 Cb -0.09 -1.83 -0.00 0.00 -0.52 0.00 0.00 37.83 35.39 2bpn s LYS 77 CO 0.20 -1.93 0.00 0.45 -0.92 0.00 0.00 175.35 173.16 2bpn n SER 78 N -3.21 2.28 0.11 2.83 2.88 -1.26 -4.94 113.62 112.31 2bpn n SER 78 Ca 0.12 -1.69 -0.06 0.00 -1.33 0.00 0.00 58.87 55.91 2bpn n SER 78 Cb 0.51 0.13 -0.03 0.00 -0.75 0.00 0.00 64.21 64.08 2bpn n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bpn h VAL 80 N -1.10 1.17 0.00 0.00 2.07 -1.74 -2.39 116.25 114.27 2bpn h VAL 80 Ca -0.04 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2bpn h VAL 80 Cb 0.29 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2bpn h VAL 80 CO 0.06 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.46 2bpn n GLY 81 N -1.23 -2.85 0.30 2.17 0.00 -1.24 0.19 105.19 102.53 2bpn n GLY 81 Ca 0.05 0.25 0.01 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.02 0.68 -0.10 0.00 3.86 -1.04 0.37 115.15 118.90 2bpn h HIS 83 Ca 0.36 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.46 2bpn h HIS 83 Cb 0.58 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2bpn h HIS 83 CO -0.64 0.31 -0.54 0.28 0.86 0.00 0.00 177.93 178.20 2bpn h VAL 84 N 0.63 1.36 -0.00 2.45 2.07 1.35 1.87 116.25 125.98 2bpn h VAL 84 Ca 0.36 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2bpn h VAL 84 Cb 0.54 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2bpn h VAL 84 CO -0.13 0.55 -0.15 -0.62 0.02 0.00 0.00 177.57 177.23 2bpn n GLU 85 N -3.93 0.14 -0.05 1.57 -0.58 0.85 -4.08 120.64 114.56 2bpn n GLU 85 Ca -0.02 -0.04 -0.09 0.00 -0.42 0.00 0.00 57.16 56.59 2bpn n GLU 85 Cb 0.58 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.92 2bpn n GLU 85 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2bpn n VAL 86 N -1.40 1.31 -0.89 2.62 0.31 0.98 -4.65 118.33 116.62 2bpn n VAL 86 Ca 0.08 0.13 -0.24 0.00 -0.01 0.00 0.00 64.34 64.30 2bpn n VAL 86 Cb 0.32 -2.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.21 2bpn n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bpn n ALA 87 N -4.05 5.52 -1.93 3.52 0.00 0.63 -3.82 120.51 120.39 2bpn n ALA 87 Ca -0.15 -2.28 0.04 0.00 0.00 0.00 0.00 53.44 51.05 2bpn n ALA 87 Cb 0.42 -2.97 0.06 0.00 0.00 0.00 0.00 19.45 16.97 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 3.50 2.15 0.03 0.00 0.00 -1.26 -4.47 105.19 105.14 2bpn n GLY 88 Ca 0.51 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.27 1.85 -2.49 4.61 0.00 -1.25 -5.03 120.51 117.92 2bpn n ALA 89 Ca 0.08 -0.41 -0.18 0.00 0.00 0.00 0.00 53.44 52.92 2bpn n ALA 89 Cb 0.83 0.11 -0.11 0.00 0.00 0.00 0.00 19.45 20.28 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 -3.77 2.03 -0.40 0.00 2.15 -1.26 -5.03 116.67 110.40 2bpn s ASP 90 Ca -0.03 -0.81 0.04 0.00 0.43 0.00 0.00 52.55 52.18 2bpn s ASP 90 Cb 0.02 -0.07 0.60 0.00 -0.30 0.00 0.00 42.92 43.17 2bpn s ASP 90 CO 0.26 -0.14 1.82 0.00 -0.17 0.00 0.00 175.17 176.94 2bpn n ALA 91 N 0.53 5.25 0.01 3.66 0.00 -1.26 -3.98 120.51 124.72 2bpn n ALA 91 Ca -0.15 -2.57 -0.02 0.00 0.00 0.00 0.00 53.44 50.69 2bpn n ALA 91 Cb 0.57 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.94 2.33 0.26 0.00 0.00 -1.26 -4.66 120.51 116.24 2bpn n ALA 92 Ca 0.53 -0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.91 2bpn n ALA 92 Cb 1.54 0.14 0.79 0.00 0.00 0.00 0.00 19.45 21.93 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 -0.21 0.00 0.00 0.00 6.56 -1.94 0.13 116.57 121.11 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 0.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 2bpn h LYS 93 CO 0.00 0.00 0.21 1.57 -2.06 0.00 0.00 179.45 179.17 2bpn h LYS 94 N 0.00 0.00 -0.41 3.15 5.09 -1.78 1.72 116.57 124.34 2bpn h LYS 94 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.72 2bpn h LYS 94 Cb 0.11 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.42 2bpn h LYS 94 CO -0.00 0.00 0.03 1.17 -2.09 0.00 0.00 179.45 178.56 2bpn n LYS 95 N -2.67 3.44 0.00 0.07 3.00 0.46 -3.32 118.16 119.14 2bpn n LYS 95 Ca -0.02 -2.98 0.00 0.00 -0.00 0.00 0.00 58.31 55.31 2bpn n LYS 95 Cb 0.25 -2.00 0.00 0.00 0.00 0.00 0.00 35.03 33.28 2bpn n LYS 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2bpn n ASP 96 N -0.24 0.27 0.04 3.14 9.92 0.50 -4.34 116.55 125.85 2bpn n ASP 96 Ca 0.26 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.33 2bpn n ASP 96 Cb 1.05 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 41.39 2bpn n ASP 96 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2bpn h LEU 97 N 0.00 0.55 -1.93 0.64 3.38 0.77 -2.95 115.31 115.76 2bpn h LEU 97 Ca 0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.10 2bpn h LEU 97 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2bpn h LEU 97 CO 0.00 1.37 0.00 0.35 0.09 0.00 0.00 178.44 180.25 2bpn n THR 98 N -4.10 0.28 -0.77 0.22 -2.24 -1.24 -4.88 114.28 101.56 2bpn n THR 98 Ca -0.13 -0.64 -0.33 0.00 -2.27 0.00 0.00 64.05 60.68 2bpn n THR 98 Cb 0.80 1.07 0.13 0.00 -2.10 0.00 0.00 70.33 70.24 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 0.82 -2.31 0.07 3.38 0.00 -1.21 -4.93 105.19 101.01 2bpn n GLY 99 Ca 0.10 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.28 1.80 0.00 0.00 -2.85 -1.26 -4.63 119.74 110.52 2bpn s LYS 101 Ca -0.17 -0.47 0.00 0.00 -1.00 0.00 0.00 55.97 54.33 2bpn s LYS 101 Cb 0.05 -1.48 0.00 0.00 -2.06 0.00 0.00 37.83 34.34 2bpn s LYS 101 CO 0.33 0.07 0.00 1.17 0.10 0.00 0.00 175.35 177.02 2bpn n LYS 102 N 3.69 0.00 -1.46 1.78 4.81 -0.22 -5.00 118.16 121.75 2bpn n LYS 102 Ca -0.22 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 56.89 2bpn n LYS 102 Cb 0.52 -1.02 0.09 0.00 0.02 0.00 0.00 35.03 34.64 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 -3.17 4.37 0.26 3.14 0.15 -0.98 -4.56 113.70 112.92 2bpn s SER 103 Ca 0.00 2.21 -0.01 0.00 0.70 0.00 0.00 55.95 58.84 2bpn s SER 103 Cb 0.00 -2.57 0.50 0.00 -1.71 0.00 0.00 66.02 62.24 2bpn s SER 103 CO 0.00 -2.13 1.80 0.11 1.20 0.00 0.00 173.24 174.21 2bpn h LYS 104 N -0.38 0.75 0.48 5.44 6.56 -1.87 1.17 116.57 128.71 2bpn h LYS 104 Ca -0.47 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.05 2bpn h LYS 104 Cb 1.27 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 2bpn h LYS 104 CO 0.50 0.49 -0.23 0.00 -2.06 0.00 0.00 179.45 178.16 2bpn n HIS 106 N -5.23 2.75 0.88 0.00 8.25 -0.82 -4.59 115.22 116.47 2bpn n HIS 106 Ca -0.10 -2.84 0.11 0.00 -0.26 0.00 0.00 57.72 54.62 2bpn n HIS 106 Cb 0.30 -1.09 0.09 0.00 1.12 0.00 0.00 29.99 30.40 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07