#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 1.37 -1.45 0.00 -0.02 -1.26 -4.82 135.00 128.83 2bpn n PRO 2 Ca 0.00 0.39 -0.52 0.00 -2.02 0.00 0.00 63.50 61.35 2bpn n PRO 2 Cb 0.00 -2.66 -0.05 0.00 -0.02 0.00 0.00 33.50 30.78 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 8.16 0.11 -1.63 -0.52 5.02 -1.26 -4.79 118.16 123.26 2bpn n LYS 3 Ca 0.37 0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 56.30 2bpn n LYS 3 Cb 0.28 -1.27 0.02 0.00 -0.02 0.00 0.00 35.03 34.05 2bpn n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bpn n ALA 4 N 0.67 0.42 -1.84 7.82 0.00 -1.26 -4.99 120.51 121.32 2bpn n ALA 4 Ca 0.18 0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 2bpn n ALA 4 Cb 0.19 -2.13 0.19 0.00 0.00 0.00 0.00 19.45 17.70 2bpn n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bpn s PRO 5 N -2.27 0.51 0.13 0.00 0.04 -1.26 -5.02 135.00 127.13 2bpn s PRO 5 Ca 0.66 -0.35 -0.30 0.00 0.04 0.00 0.00 61.00 61.05 2bpn s PRO 5 Cb -0.50 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 2bpn s PRO 5 CO 0.54 -2.51 0.98 0.00 0.04 0.00 0.00 177.00 176.05 2bpn s ALA 6 N -3.79 3.27 0.38 8.56 0.00 -1.26 -4.95 121.76 123.97 2bpn s ALA 6 Ca 0.73 0.62 -0.18 0.00 0.00 0.00 0.00 51.96 53.13 2bpn s ALA 6 Cb -0.05 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 2bpn s ALA 6 CO 0.53 -0.03 0.02 -0.25 0.00 0.00 0.00 175.76 176.03 2bpn n ASP 7 N 2.61 -2.70 0.00 0.00 8.00 -1.26 -4.74 116.55 118.46 2bpn n ASP 7 Ca 0.02 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.18 2bpn n ASP 7 Cb 0.48 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 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 2.07 0.00 3.07 0.44 0.00 -1.26 -5.09 105.19 104.42 2bpn n GLY 8 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 1.74 -0.01 0.99 0.05 -1.26 -5.13 118.68 115.06 2bpn s LEU 9 Ca 0.00 -0.39 0.03 0.00 0.05 0.00 0.00 54.13 53.82 2bpn s LEU 9 Cb 0.00 -1.02 -0.00 0.00 -2.05 0.00 0.00 46.19 43.11 2bpn s LEU 9 CO 0.00 0.05 -0.10 -1.59 -0.55 0.00 0.00 176.35 174.16 2bpn s LYS 10 N 0.73 0.87 -0.36 1.48 0.00 -1.26 -2.44 119.74 118.75 2bpn s LYS 10 Ca -0.12 -0.34 -0.06 0.00 0.00 0.00 0.00 55.97 55.45 2bpn s LYS 10 Cb -0.16 -0.83 0.06 0.00 0.00 0.00 0.00 37.83 36.91 2bpn s LYS 10 CO 0.03 0.18 0.14 -1.64 0.00 0.00 0.00 175.35 174.05 2bpn s MET 11 N -0.07 2.47 -0.35 1.78 -1.94 -0.20 -4.94 119.30 116.05 2bpn s MET 11 Ca 0.01 -1.38 0.15 0.00 -1.71 0.00 0.00 55.69 52.77 2bpn s MET 11 Cb -0.06 -3.51 0.44 0.00 2.01 0.00 0.00 34.83 33.71 2bpn s MET 11 CO -0.00 -0.80 0.94 -0.85 -0.01 0.00 0.00 175.02 174.30 2bpn n GLU 12 N 4.76 1.44 0.14 2.03 0.28 -1.26 0.21 120.64 128.24 2bpn n GLU 12 Ca -0.10 -3.45 0.13 0.00 -0.16 0.00 0.00 57.16 53.57 2bpn n GLU 12 Cb 0.43 -1.44 0.34 0.00 1.43 0.00 0.00 31.44 32.20 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 2.95 1.00 -3.03 -1.84 0.00 -1.92 -3.46 119.26 112.95 2bpn h ALA 13 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bpn h ALA 13 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2bpn h ALA 13 CO 0.55 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.05 2bpn n THR 14 N -2.52 0.00 -0.21 0.00 -2.24 -1.26 -5.00 114.28 103.05 2bpn n THR 14 Ca 0.05 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.80 2bpn n THR 14 Cb 0.46 -0.35 0.19 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.01 2.70 -3.34 -0.78 5.02 -1.26 -4.53 118.16 115.95 2bpn n LYS 15 Ca 0.00 -1.85 -0.17 0.00 -2.02 0.00 0.00 58.31 54.27 2bpn n LYS 15 Cb 0.00 -1.86 -0.07 0.00 -0.02 0.00 0.00 35.03 33.08 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 -2.02 0.69 0.10 1.97 -1.52 -1.26 -5.12 119.66 112.50 2bpn s GLN 16 Ca 0.33 -0.99 -0.31 0.00 -1.95 0.00 0.00 55.36 52.44 2bpn s GLN 16 Cb 0.26 -0.75 -0.08 0.00 -0.22 0.00 0.00 33.01 32.22 2bpn s GLN 16 CO 0.08 -1.22 1.49 -2.14 -0.25 0.00 0.00 175.29 173.26 2bpn s PRO 17 N 1.27 4.26 -0.10 2.91 0.02 -1.26 -4.70 135.00 137.40 2bpn s PRO 17 Ca 0.19 2.19 -0.03 0.00 0.02 0.00 0.00 61.00 63.37 2bpn s PRO 17 Cb -0.14 -3.33 0.04 0.00 0.02 0.00 0.00 34.50 31.09 2bpn s PRO 17 CO -0.03 -0.56 0.06 0.08 -0.33 0.00 0.00 177.00 176.21 2bpn s VAL 18 N 1.59 0.01 0.24 3.83 1.01 0.13 -4.84 120.40 122.37 2bpn s VAL 18 Ca 0.68 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.61 2bpn s VAL 18 Cb -0.39 -0.42 -0.08 0.00 0.00 0.00 0.00 36.38 35.49 2bpn s VAL 18 CO 0.30 -0.01 0.64 0.54 0.00 0.00 0.00 175.10 176.57 2bpn s VAL 19 N 2.11 4.77 -0.14 2.92 0.11 -1.26 -1.03 120.40 127.87 2bpn s VAL 19 Ca 0.03 0.85 -0.04 0.00 -2.93 0.00 0.00 61.98 59.89 2bpn s VAL 19 Cb -0.14 -3.69 0.07 0.00 -1.53 0.00 0.00 36.38 31.10 2bpn s VAL 19 CO -0.06 0.02 0.22 0.12 -3.33 0.00 0.00 175.10 172.07 2bpn s PHE 20 N -1.73 -0.31 -0.06 1.54 2.19 -1.02 -4.94 117.98 113.63 2bpn s PHE 20 Ca 0.46 0.63 -0.15 0.00 0.33 0.00 0.00 56.93 58.20 2bpn s PHE 20 Cb -0.13 -0.20 -0.05 0.00 -1.31 0.00 0.00 43.02 41.33 2bpn s PHE 20 CO 0.19 -0.42 0.40 -0.80 1.83 0.00 0.00 175.22 176.43 2bpn s ASN 21 N 2.36 6.70 0.32 6.13 -0.87 -1.26 -4.46 114.94 123.85 2bpn s ASN 21 Ca 0.04 0.83 0.04 0.00 -1.57 0.00 0.00 52.86 52.20 2bpn s ASN 21 Cb -0.13 -2.24 0.53 0.00 -0.02 0.00 0.00 41.25 39.39 2bpn s ASN 21 CO -0.09 0.20 1.81 0.45 -2.57 0.00 0.00 177.10 176.89 2bpn h HIS 22 N 5.62 0.49 0.00 2.20 3.86 -1.92 -2.99 115.15 122.42 2bpn h HIS 22 Ca -0.47 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 58.69 2bpn h HIS 22 Cb 1.20 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 29.49 2bpn h HIS 22 CO 0.67 0.59 -0.24 0.66 0.86 0.00 0.00 177.93 180.46 2bpn h SER 23 N 0.42 -0.72 0.00 2.45 4.64 -1.93 1.58 113.55 120.00 2bpn h SER 23 Ca 0.08 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2bpn h SER 23 Cb 0.50 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2bpn h SER 23 CO 0.03 -0.31 0.06 0.71 -0.87 0.00 0.00 176.83 176.45 2bpn h THR 24 N -0.38 0.00 -0.52 2.95 1.35 -1.95 -0.39 112.91 113.96 2bpn h THR 24 Ca 0.06 0.00 -0.37 0.00 -0.55 0.00 0.00 66.41 65.56 2bpn h THR 24 Cb 0.46 0.72 -0.38 0.00 -1.73 0.00 0.00 68.15 67.22 2bpn h THR 24 CO -0.21 0.00 -0.93 1.41 -0.25 0.00 0.00 175.52 175.54 2bpn n HIS 25 N -2.68 1.79 -3.12 4.73 8.25 0.89 -5.02 115.22 120.06 2bpn n HIS 25 Ca -0.02 -2.03 -0.44 0.00 -0.26 0.00 0.00 57.72 54.97 2bpn n HIS 25 Cb 0.11 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 30.89 2bpn n HIS 25 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2bpn s LYS 26 N -3.43 3.09 0.00 -0.41 2.20 0.50 -4.03 119.74 117.66 2bpn s LYS 26 Ca 0.40 -1.05 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 2bpn s LYS 26 Cb 0.37 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 2bpn s LYS 26 CO -0.01 -1.39 0.00 -1.13 -0.36 0.00 0.00 175.35 172.46 2bpn n SER 27 N 6.34 0.00 -4.72 1.43 3.41 -1.26 -5.02 113.62 113.80 2bpn n SER 27 Ca -0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.11 2bpn n SER 27 Cb 0.44 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.77 -1.64 -3.33 0.31 -1.26 -4.83 118.33 108.36 2bpn n VAL 28 Ca 0.00 -0.19 -0.53 0.00 -0.01 0.00 0.00 64.34 63.60 2bpn n VAL 28 Cb 0.00 -1.86 -0.06 0.00 -0.91 0.00 0.00 33.84 31.01 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 2.52 1.28 0.15 5.55 4.81 -1.26 -4.75 118.16 126.46 2bpn n LYS 29 Ca 0.11 0.46 0.19 0.00 -0.87 0.00 0.00 58.31 58.20 2bpn n LYS 29 Cb 0.35 -2.14 0.75 0.00 0.02 0.00 0.00 35.03 34.01 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 -0.80 0.09 0.00 0.00 -1.26 0.16 105.19 101.97 2bpn n GLY 31 Ca 0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 0.26 0.00 1.61 1.82 0.19 -3.36 116.42 116.94 2bpn h ASP 32 Ca 0.00 -0.33 -0.21 0.00 -0.39 0.00 0.00 57.03 56.09 2bpn h ASP 32 Cb 0.10 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 39.99 2bpn h ASP 32 CO 0.00 1.27 -1.78 0.00 -1.61 0.00 0.00 179.24 177.12 2bpn n HIS 34 N -3.11 4.84 -1.47 0.00 8.25 0.43 -5.03 115.22 119.12 2bpn n HIS 34 Ca -0.25 -3.60 -0.31 0.00 -0.26 0.00 0.00 57.72 53.30 2bpn n HIS 34 Cb 0.74 -1.81 0.07 0.00 1.12 0.00 0.00 29.99 30.11 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 -0.61 2.88 0.20 4.41 -3.43 -1.26 -3.98 115.29 113.50 2bpn s HIS 35 Ca 0.35 1.48 -0.31 0.00 -0.80 0.00 0.00 55.06 55.78 2bpn s HIS 35 Cb -0.06 -2.96 -0.10 0.00 -1.43 0.00 0.00 32.58 28.03 2bpn s HIS 35 CO -0.04 -1.47 1.52 -2.14 -2.00 0.00 0.00 174.74 170.61 2bpn s PRO 36 N -4.92 4.23 -0.19 -0.38 0.02 -1.26 -3.24 135.00 129.27 2bpn s PRO 36 Ca 0.60 2.35 -0.03 0.00 0.02 0.00 0.00 61.00 63.94 2bpn s PRO 36 Cb -0.16 -3.13 0.06 0.00 0.02 0.00 0.00 34.50 31.29 2bpn s PRO 36 CO 0.54 -0.54 0.04 0.08 -0.33 0.00 0.00 177.00 176.79 2bpn s VAL 37 N 0.65 0.47 -0.40 3.83 1.01 -1.20 -4.78 120.40 119.98 2bpn s VAL 37 Ca 0.66 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2bpn s VAL 37 Cb -0.43 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2bpn s VAL 37 CO 0.37 -0.19 0.31 -3.20 0.00 0.00 0.00 175.10 172.39 2bpn n ASN 38 N 5.07 -3.20 -3.67 3.32 4.05 -1.26 -3.49 115.26 116.08 2bpn n ASN 38 Ca -0.09 -0.14 -0.21 0.00 0.45 0.00 0.00 54.58 54.59 2bpn n ASN 38 Cb 0.47 -1.81 0.04 0.00 1.23 0.00 0.00 39.78 39.72 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 -0.94 -0.32 3.15 8.20 0.00 -1.26 -4.96 105.19 109.06 2bpn n GLY 39 Ca -0.00 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 -5.94 0.10 -0.10 1.61 2.20 -1.23 -5.12 119.74 111.26 2bpn s LYS 40 Ca 0.07 0.12 -0.25 0.00 -0.36 0.00 0.00 55.97 55.55 2bpn s LYS 40 Cb -0.03 0.06 -0.12 0.00 -1.51 0.00 0.00 37.83 36.23 2bpn s LYS 40 CO 0.80 -0.16 0.74 0.39 -0.36 0.00 0.00 175.35 176.77 2bpn n GLU 41 N 5.22 0.00 -4.29 4.03 1.02 -1.26 -3.22 120.64 122.14 2bpn n GLU 41 Ca 0.03 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.86 2bpn n GLU 41 Cb 0.57 -0.90 -0.09 0.00 -0.02 0.00 0.00 31.44 30.99 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 0.58 4.72 -0.03 1.62 -1.08 -1.20 -4.81 116.67 116.48 2bpn s ASP 42 Ca 0.57 -0.20 0.10 0.00 -0.52 0.00 0.00 52.55 52.50 2bpn s ASP 42 Cb -0.81 -1.07 0.18 0.00 -1.46 0.00 0.00 42.92 39.76 2bpn s ASP 42 CO 0.39 0.23 1.08 -1.22 0.52 0.00 0.00 175.17 176.17 2bpn n TYR 43 N 1.04 0.00 -2.53 -5.34 4.02 -1.26 -4.46 117.16 108.63 2bpn n TYR 43 Ca -0.13 -0.36 -0.22 0.00 -0.01 0.00 0.00 57.90 57.18 2bpn n TYR 43 Cb 0.52 -0.10 0.04 0.00 -0.02 0.00 0.00 39.34 39.78 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 -0.55 2.48 0.19 -0.72 0.52 -1.26 -4.99 118.95 114.61 2bpn s ARG 44 Ca 0.16 -0.63 -0.24 0.00 -0.52 0.00 0.00 55.73 54.51 2bpn s ARG 44 Cb 0.17 -2.41 -0.15 0.00 0.52 0.00 0.00 34.95 33.09 2bpn s ARG 44 CO -0.05 -0.83 0.41 1.63 0.02 0.00 0.00 175.30 176.48 2bpn n LYS 45 N -2.49 0.00 -0.05 3.54 4.01 -1.26 -4.82 118.16 117.10 2bpn n LYS 45 Ca 0.08 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.77 2bpn n LYS 45 Cb 0.60 -0.86 -0.04 0.00 -0.51 0.00 0.00 35.03 34.22 2bpn n LYS 45 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2bpn n GLY 47 N -0.94 0.12 1.19 0.00 0.00 -1.26 -3.88 105.19 100.42 2bpn n GLY 47 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.28 -0.16 -3.07 2.61 -1.04 -1.26 -2.94 114.28 108.15 2bpn n THR 48 Ca 0.00 0.43 -0.41 0.00 -2.04 0.00 0.00 64.05 62.03 2bpn n THR 48 Cb 0.00 -0.78 -0.06 0.00 -1.82 0.00 0.00 70.33 67.68 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 -3.51 3.61 0.00 2.41 0.00 -1.26 -3.57 121.76 119.44 2bpn s ALA 49 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2bpn s ALA 49 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 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 4.02 1.84 0.00 0.00 0.00 -1.26 -5.05 105.19 104.74 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 0.77 -1.13 0.00 8.25 -1.15 -4.52 115.22 117.45 2bpn n HIS 52 Ca 0.00 -0.64 -0.02 0.00 -0.26 0.00 0.00 57.72 56.80 2bpn n HIS 52 Cb 0.00 -1.65 0.27 0.00 1.12 0.00 0.00 29.99 29.73 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 12.91 4.03 -4.47 0.41 5.75 -1.24 -4.14 116.55 129.79 2bpn n ASP 53 Ca 0.45 -3.31 -0.35 0.00 -0.01 0.00 0.00 54.79 51.57 2bpn n ASP 53 Cb 0.44 -0.67 -0.12 0.00 -1.03 0.00 0.00 41.12 39.73 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 -1.62 5.07 -0.45 -1.12 0.15 -1.13 -5.00 113.70 109.60 2bpn s SER 54 Ca 0.50 -0.16 0.09 0.00 0.70 0.00 0.00 55.95 57.08 2bpn s SER 54 Cb 0.41 -1.88 0.36 0.00 -1.71 0.00 0.00 66.02 63.20 2bpn s SER 54 CO 0.09 0.04 0.87 0.23 1.20 0.00 0.00 173.24 175.67 2bpn n MET 55 N 4.41 2.06 -4.13 5.44 2.81 -1.26 -1.51 117.12 124.93 2bpn n MET 55 Ca -0.17 -4.02 -0.25 0.00 -1.81 0.00 0.00 57.70 51.45 2bpn n MET 55 Cb 0.52 -1.91 -0.07 0.00 -0.71 0.00 0.00 33.22 31.05 2bpn n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2bpn s ASP 56 N -2.99 4.44 -0.90 7.83 2.15 -1.26 -5.08 116.67 120.85 2bpn s ASP 56 Ca 0.43 -1.12 -0.02 0.00 0.43 0.00 0.00 52.55 52.27 2bpn s ASP 56 Cb 0.34 -0.35 0.22 0.00 -0.30 0.00 0.00 42.92 42.83 2bpn s ASP 56 CO -0.10 -0.61 0.79 -0.75 -0.17 0.00 0.00 175.17 174.33 2bpn s LYS 57 N -3.94 3.30 0.00 4.34 2.20 -1.26 -4.74 119.74 119.64 2bpn s LYS 57 Ca 0.39 -3.30 0.00 0.00 -0.36 0.00 0.00 55.97 52.70 2bpn s LYS 57 Cb 0.03 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 2bpn s LYS 57 CO 0.21 -1.27 0.00 1.63 -0.36 0.00 0.00 175.35 175.57 2bpn n LYS 58 N 2.30 0.00 -1.52 4.03 5.02 -1.26 -5.12 118.16 121.61 2bpn n LYS 58 Ca 0.22 0.00 -0.59 0.00 -2.02 0.00 0.00 58.31 55.92 2bpn n LYS 58 Cb 0.37 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.30 2bpn n LYS 58 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2bpn n ASP 59 N 0.00 0.14 -0.55 4.39 -0.08 -1.26 -4.84 116.55 114.35 2bpn n ASP 59 Ca 0.00 1.16 0.07 0.00 -1.51 0.00 0.00 54.79 54.51 2bpn n ASP 59 Cb 0.00 -0.93 0.17 0.00 2.34 0.00 0.00 41.12 42.70 2bpn n ASP 59 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2bpn n LYS 60 N 1.69 1.35 -1.07 -0.67 2.85 -1.26 -4.74 118.16 116.31 2bpn n LYS 60 Ca 0.21 -2.98 -0.30 0.00 -1.05 0.00 0.00 58.31 54.19 2bpn n LYS 60 Cb 0.08 -1.44 0.24 0.00 -0.65 0.00 0.00 35.03 33.26 2bpn n LYS 60 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2bpn s SER 61 N -3.00 1.03 0.12 -5.58 0.15 -1.26 -4.78 113.70 100.38 2bpn s SER 61 Ca 0.35 0.69 0.14 0.00 0.70 0.00 0.00 55.95 57.83 2bpn s SER 61 Cb 0.34 -0.98 0.64 0.00 -1.71 0.00 0.00 66.02 64.30 2bpn s SER 61 CO -0.05 -4.06 1.43 0.00 1.20 0.00 0.00 173.24 171.75 2bpn n ALA 62 N -4.73 1.35 0.60 5.45 0.00 -1.26 -0.20 120.51 121.72 2bpn n ALA 62 Ca 0.12 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.73 2bpn n ALA 62 Cb 0.59 -1.22 0.24 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.82 0.27 -1.98 0.00 5.02 -1.26 -4.68 118.16 113.71 2bpn n LYS 63 Ca 0.01 0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 2bpn n LYS 63 Cb 0.11 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.38 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 -3.61 1.49 0.01 0.72 0.00 0.72 -2.82 107.32 103.82 2bpn s GLY 64 Ca 0.08 0.93 -0.25 0.00 0.00 0.00 0.00 44.72 45.48 2bpn s GLY 64 CO 0.69 3.08 1.30 -1.82 0.00 0.00 0.00 173.10 176.35 2bpn h TYR 65 N 9.80 -0.24 0.00 1.90 3.20 -1.52 -2.25 116.97 127.86 2bpn h TYR 65 Ca -0.40 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.47 2bpn h TYR 65 Cb 1.18 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.53 2bpn h TYR 65 CO 0.90 0.09 0.00 0.98 -1.64 0.00 0.00 178.16 178.49 2bpn n TYR 66 N -5.06 0.00 0.97 -3.82 4.19 -1.26 -2.05 117.16 110.14 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 0.23 -0.03 -0.08 0.00 0.49 0.00 0.00 39.34 39.95 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 -1.03 0.00 -0.83 2.98 -0.00 -0.98 -3.66 115.22 111.70 2bpn n HIS 67 Ca 0.18 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.44 2bpn n HIS 67 Cb 0.10 -0.04 0.25 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 -1.52 2.06 -2.12 3.57 0.24 -0.87 -4.03 118.33 115.67 2bpn n VAL 68 Ca 0.04 -1.67 -0.01 0.00 -2.04 0.00 0.00 64.34 60.65 2bpn n VAL 68 Cb 0.34 -0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 32.58 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 -0.22 0.00 0.00 7.34 -0.00 -1.23 -4.60 117.12 118.41 2bpn n MET 69 Ca 0.20 -0.99 0.00 0.00 -0.00 0.00 0.00 57.70 56.91 2bpn n MET 69 Cb 0.82 0.09 0.00 0.00 -0.00 0.00 0.00 33.22 34.13 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 0.12 -1.21 -1.12 3.17 -0.00 -1.24 -4.09 115.22 110.84 2bpn n HIS 70 Ca -0.08 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.26 2bpn n HIS 70 Cb 0.76 0.40 0.03 0.00 -0.00 0.00 0.00 29.99 31.17 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 -2.20 -4.86 0.00 0.41 2.03 -1.26 -3.52 116.55 107.15 2bpn n ASP 71 Ca 0.00 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2bpn n ASP 71 Cb 0.00 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 2bpn n ASP 71 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2bpn n LYS 72 N 1.97 0.32 -0.08 -0.67 2.85 -1.26 -4.40 118.16 116.90 2bpn n LYS 72 Ca 0.03 -0.65 0.12 0.00 -1.05 0.00 0.00 58.31 56.76 2bpn n LYS 72 Cb 0.52 -0.84 0.19 0.00 -0.65 0.00 0.00 35.03 34.25 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 -0.13 3.02 -4.75 -5.58 3.02 -1.26 -4.96 115.26 104.63 2bpn n ASN 73 Ca 0.00 -1.95 -0.30 0.00 -0.03 0.00 0.00 54.58 52.30 2bpn n ASN 73 Cb 0.17 -0.11 0.12 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.79 2.74 0.22 3.41 -4.23 -1.26 -4.94 115.64 109.79 2bpn s THR 74 Ca 0.33 0.24 -0.08 0.00 -1.18 0.00 0.00 61.69 61.01 2bpn s THR 74 Cb 0.21 -2.82 0.17 0.00 1.34 0.00 0.00 72.50 71.40 2bpn s THR 74 CO 0.31 -0.32 1.81 0.50 -0.54 0.00 0.00 174.62 176.38 2bpn h LYS 75 N -1.41 1.19 -6.34 3.99 1.63 -1.98 -3.43 116.57 110.22 2bpn h LYS 75 Ca -0.49 -0.18 -0.60 0.00 -0.85 0.00 0.00 60.65 58.54 2bpn h LYS 75 Cb 1.28 -0.21 -0.12 0.00 -0.60 0.00 0.00 32.23 32.58 2bpn h LYS 75 CO 0.56 0.92 -0.69 -0.06 -3.45 0.00 0.00 179.45 176.73 2bpn s PHE 76 N -5.70 2.65 0.82 1.91 0.08 -1.26 -5.12 117.98 111.36 2bpn s PHE 76 Ca -0.13 -0.22 -0.11 0.00 0.12 0.00 0.00 56.93 56.59 2bpn s PHE 76 Cb 0.16 -1.24 0.09 0.00 -0.57 0.00 0.00 43.02 41.46 2bpn s PHE 76 CO 0.83 0.56 1.14 0.15 -0.10 0.00 0.00 175.22 177.80 2bpn s LYS 77 N -3.18 1.74 0.00 0.44 1.02 -1.26 -4.93 119.74 113.57 2bpn s LYS 77 Ca 0.28 1.45 0.00 0.00 0.02 0.00 0.00 55.97 57.72 2bpn s LYS 77 Cb -0.08 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 2bpn s LYS 77 CO 0.17 -2.07 0.00 0.43 -0.92 0.00 0.00 175.35 172.96 2bpn n SER 78 N -3.61 0.00 0.00 2.83 7.64 -1.26 -4.90 113.62 114.32 2bpn n SER 78 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2bpn n SER 78 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2bpn n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bpn h VAL 80 N 0.00 1.38 0.00 0.00 2.07 -1.73 -2.92 116.25 115.06 2bpn h VAL 80 Ca 0.00 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2bpn h VAL 80 Cb 0.00 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2bpn h VAL 80 CO 0.00 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.78 2bpn n GLY 81 N 0.25 -2.66 0.31 2.17 0.00 -1.23 0.17 105.19 104.20 2bpn n GLY 81 Ca -0.02 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 0.09 0.90 -0.16 0.00 3.86 -1.28 0.45 115.15 119.01 2bpn h HIS 83 Ca 0.51 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.65 2bpn h HIS 83 Cb 0.98 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 2bpn h HIS 83 CO -0.42 0.57 -0.31 0.28 0.86 0.00 0.00 177.93 178.91 2bpn h VAL 84 N 0.96 1.27 0.00 2.45 2.07 1.26 1.59 116.25 125.86 2bpn h VAL 84 Ca 0.26 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 2bpn h VAL 84 Cb -0.10 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2bpn h VAL 84 CO -0.06 0.40 -0.45 -0.33 0.02 0.00 0.00 177.57 177.15 2bpn h GLU 85 N 0.27 0.00 0.11 1.57 4.39 0.84 -3.31 114.58 118.46 2bpn h GLU 85 Ca 0.04 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.38 2bpn h GLU 85 Cb 0.68 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 2bpn h GLU 85 CO 0.05 0.16 -1.95 0.28 -1.16 0.00 0.00 179.01 176.38 2bpn n VAL 86 N -3.03 1.77 -0.58 3.13 0.31 0.14 -3.98 118.33 116.09 2bpn n VAL 86 Ca 0.02 -0.68 0.45 0.00 -0.01 0.00 0.00 64.34 64.12 2bpn n VAL 86 Cb 0.62 -1.66 0.71 0.00 -0.91 0.00 0.00 33.84 32.60 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 -2.94 1.58 -0.70 3.52 0.00 0.54 -4.79 120.51 117.72 2bpn n ALA 87 Ca -0.30 0.66 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2bpn n ALA 87 Cb 1.05 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.72 0.25 2.02 0.00 0.00 -1.26 -2.71 105.19 101.78 2bpn n GLY 88 Ca 0.40 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 1.04 6.44 -4.05 4.61 0.00 -1.26 -4.76 120.51 122.52 2bpn n ALA 89 Ca 0.00 -1.93 -0.32 0.00 0.00 0.00 0.00 53.44 51.19 2bpn n ALA 89 Cb 0.00 -2.36 -0.16 0.00 0.00 0.00 0.00 19.45 16.93 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 1.97 3.68 -0.21 0.00 -1.08 -1.10 -4.97 116.67 114.96 2bpn s ASP 90 Ca 0.67 -1.00 0.04 0.00 -0.52 0.00 0.00 52.55 51.75 2bpn s ASP 90 Cb 0.31 -1.40 0.42 0.00 -1.46 0.00 0.00 42.92 40.79 2bpn s ASP 90 CO -0.01 -0.12 1.41 0.00 0.52 0.00 0.00 175.17 176.97 2bpn n ALA 91 N 4.58 3.91 -0.01 3.66 0.00 -1.26 -3.20 120.51 128.19 2bpn n ALA 91 Ca -0.16 -1.45 -0.04 0.00 0.00 0.00 0.00 53.44 51.79 2bpn n ALA 91 Cb 0.46 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.13 2.58 0.23 0.00 0.00 -1.26 -4.67 120.51 117.26 2bpn n ALA 92 Ca 0.27 -0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.61 2bpn n ALA 92 Cb 1.03 0.32 0.43 0.00 0.00 0.00 0.00 19.45 21.23 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 -1.89 -2.59 116.57 118.43 2bpn h LYS 93 Ca -0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 2bpn h LYS 93 Cb 0.70 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.36 2bpn h LYS 93 CO -0.05 0.18 0.05 1.57 -2.06 0.00 0.00 179.45 179.14 2bpn h LYS 94 N 0.00 0.00 -0.41 3.15 5.09 -1.82 1.15 116.57 123.74 2bpn h LYS 94 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2bpn h LYS 94 Cb 0.79 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.12 2bpn h LYS 94 CO 0.02 0.00 0.00 1.17 -2.09 0.00 0.00 179.45 178.55 2bpn n LYS 95 N -2.49 3.54 0.00 0.07 4.81 -0.98 -2.82 118.16 120.29 2bpn n LYS 95 Ca -0.02 -2.83 0.00 0.00 -0.87 0.00 0.00 58.31 54.59 2bpn n LYS 95 Cb 0.09 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.26 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 0.16 0.72 -0.01 3.14 8.00 0.32 -4.26 116.55 124.62 2bpn n ASP 96 Ca 0.22 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.56 2bpn n ASP 96 Cb 0.91 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.88 2bpn n ASP 96 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2bpn h LEU 97 N 0.00 0.24 -1.24 0.64 3.38 0.59 -2.83 115.31 116.08 2bpn h LEU 97 Ca 0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.06 2bpn h LEU 97 Cb 0.29 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2bpn h LEU 97 CO 0.00 1.12 -0.21 0.35 0.09 0.00 0.00 178.44 179.80 2bpn n THR 98 N -4.41 0.00 -0.92 0.22 -2.24 -1.23 -4.88 114.28 100.81 2bpn n THR 98 Ca -0.11 -0.40 -0.34 0.00 -2.27 0.00 0.00 64.05 60.93 2bpn n THR 98 Cb 0.60 1.28 0.09 0.00 -2.10 0.00 0.00 70.33 70.20 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 1.12 -2.76 0.12 3.38 0.00 -1.13 -4.93 105.19 100.99 2bpn n GLY 99 Ca 0.09 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.38 2.49 0.00 0.00 2.47 -1.26 -4.57 119.74 116.50 2bpn s LYS 101 Ca -0.26 -0.68 0.00 0.00 -1.56 0.00 0.00 55.97 53.47 2bpn s LYS 101 Cb 0.07 -1.96 0.00 0.00 -1.46 0.00 0.00 37.83 34.47 2bpn s LYS 101 CO 0.43 0.08 0.00 1.17 0.16 0.00 0.00 175.35 177.19 2bpn n LYS 102 N 3.76 0.00 -1.68 4.03 4.81 -0.71 -4.98 118.16 123.39 2bpn n LYS 102 Ca -0.20 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 56.91 2bpn n LYS 102 Cb 0.52 -1.07 0.06 0.00 0.02 0.00 0.00 35.03 34.56 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 -3.03 4.92 0.28 3.14 0.15 -1.09 -4.63 113.70 113.44 2bpn s SER 103 Ca 0.00 2.06 0.01 0.00 0.70 0.00 0.00 55.95 58.71 2bpn s SER 103 Cb 0.00 -2.56 0.53 0.00 -1.71 0.00 0.00 66.02 62.28 2bpn s SER 103 CO 0.00 -1.76 1.85 0.11 1.20 0.00 0.00 173.24 174.64 2bpn h LYS 104 N -0.07 1.01 0.49 5.44 6.56 -1.85 1.34 116.57 129.49 2bpn h LYS 104 Ca -0.47 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.04 2bpn h LYS 104 Cb 1.25 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 2bpn h LYS 104 CO 0.53 0.67 -0.24 0.00 -2.06 0.00 0.00 179.45 178.35 2bpn n HIS 106 N -5.22 2.81 1.13 0.00 8.25 -0.95 -4.62 115.22 116.62 2bpn n HIS 106 Ca -0.09 -2.74 0.13 0.00 -0.26 0.00 0.00 57.72 54.76 2bpn n HIS 106 Cb 0.27 -1.12 0.21 0.00 1.12 0.00 0.00 29.99 30.47 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07