#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 0.45 -2.05 0.00 -0.02 -1.26 -4.86 135.00 127.26 2bpn n PRO 2 Ca 0.00 0.16 -0.39 0.00 -2.02 0.00 0.00 63.50 61.25 2bpn n PRO 2 Cb 0.00 -1.37 -0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.39 3.92 -0.85 -0.52 -0.14 -1.26 -4.73 119.74 114.76 2bpn s LYS 3 Ca 0.62 2.14 -0.30 0.00 -1.36 0.00 0.00 55.97 57.06 2bpn s LYS 3 Cb -0.66 -2.71 -0.20 0.00 -1.68 0.00 0.00 37.83 32.58 2bpn s LYS 3 CO 0.59 -0.53 2.41 0.00 -0.76 0.00 0.00 175.35 177.05 2bpn n ALA 4 N 0.03 0.26 -0.93 5.17 0.00 -1.26 -4.78 120.51 119.01 2bpn n ALA 4 Ca 0.04 -0.19 -0.35 0.00 0.00 0.00 0.00 53.44 52.94 2bpn n ALA 4 Cb 0.44 -2.06 0.07 0.00 0.00 0.00 0.00 19.45 17.89 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 7.68 -0.19 -2.50 0.00 -0.02 -1.26 -4.87 135.00 133.84 2bpn n PRO 5 Ca 0.59 -0.04 -0.40 0.00 -2.02 0.00 0.00 63.50 61.63 2bpn n PRO 5 Cb 0.02 -1.25 -0.04 0.00 -0.02 0.00 0.00 33.50 32.20 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 -2.11 3.38 1.03 3.55 0.00 -1.26 -4.87 121.76 121.48 2bpn s ALA 6 Ca 0.45 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 53.04 2bpn s ALA 6 Cb -0.14 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 2bpn s ALA 6 CO 0.75 -0.13 -0.79 -0.25 0.00 0.00 0.00 175.76 175.35 2bpn n ASP 7 N 1.14 -3.20 0.00 0.00 8.00 -1.26 -4.59 116.55 116.64 2bpn n ASP 7 Ca -0.01 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2bpn n ASP 7 Cb 0.45 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 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 2.86 1.84 3.45 0.44 0.00 -1.26 -5.08 105.19 107.43 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 3.28 -0.03 0.99 0.05 -1.26 -5.09 118.68 116.62 2bpn s LEU 9 Ca 0.00 -0.20 0.02 0.00 0.05 0.00 0.00 54.13 54.00 2bpn s LEU 9 Cb 0.00 -1.84 0.01 0.00 -2.05 0.00 0.00 46.19 42.31 2bpn s LEU 9 CO 0.00 0.05 -0.08 -1.59 -0.55 0.00 0.00 176.35 174.18 2bpn s LYS 10 N 1.08 0.85 -0.31 1.48 0.00 -1.26 -2.02 119.74 119.56 2bpn s LYS 10 Ca 0.02 -0.25 -0.11 0.00 0.00 0.00 0.00 55.97 55.63 2bpn s LYS 10 Cb -0.14 -0.81 -0.02 0.00 0.00 0.00 0.00 37.83 36.85 2bpn s LYS 10 CO 0.02 0.08 0.20 -1.64 0.00 0.00 0.00 175.35 174.00 2bpn s MET 11 N 0.27 3.59 -0.38 1.78 -1.94 0.10 -4.92 119.30 117.80 2bpn s MET 11 Ca -0.04 -0.56 0.12 0.00 -1.71 0.00 0.00 55.69 53.50 2bpn s MET 11 Cb -0.09 -3.68 0.37 0.00 2.01 0.00 0.00 34.83 33.45 2bpn s MET 11 CO 0.00 -0.35 0.92 -0.85 -0.01 0.00 0.00 175.02 174.74 2bpn n GLU 12 N 5.05 1.04 0.10 2.03 0.28 -1.26 0.16 120.64 128.03 2bpn n GLU 12 Ca -0.14 -2.89 -0.16 0.00 -0.16 0.00 0.00 57.16 53.82 2bpn n GLU 12 Cb 0.50 -1.30 -0.14 0.00 1.43 0.00 0.00 31.44 31.93 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 2.90 0.13 -3.00 -1.84 0.00 -1.93 -3.46 119.26 112.07 2bpn h ALA 13 Ca -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2bpn h ALA 13 Cb 1.08 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2bpn h ALA 13 CO 0.37 1.01 0.00 0.25 0.00 0.00 0.00 179.25 180.88 2bpn n THR 14 N -3.51 0.00 -0.14 0.00 -2.24 -1.26 -4.94 114.28 102.18 2bpn n THR 14 Ca -0.09 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 2bpn n THR 14 Cb 1.03 -0.98 0.17 0.00 -2.10 0.00 0.00 70.33 68.44 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 2.52 -3.36 -0.78 5.02 -1.26 -4.65 118.16 115.65 2bpn n LYS 15 Ca 0.00 -1.72 -0.11 0.00 -2.02 0.00 0.00 58.31 54.45 2bpn n LYS 15 Cb 0.00 -1.81 -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 -1.92 0.35 0.02 1.97 -1.52 -1.26 -5.14 119.66 112.16 2bpn s GLN 16 Ca 0.31 0.26 -0.29 0.00 -1.95 0.00 0.00 55.36 53.69 2bpn s GLN 16 Cb 0.25 -0.53 -0.04 0.00 -0.22 0.00 0.00 33.01 32.46 2bpn s GLN 16 CO 0.08 -0.83 0.93 -1.25 -0.25 0.00 0.00 175.29 173.97 2bpn s PRO 17 N 2.49 4.57 -0.15 2.91 0.04 -1.26 -4.56 135.00 139.04 2bpn s PRO 17 Ca 0.11 1.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.46 2bpn s PRO 17 Cb -0.14 -3.43 0.05 0.00 0.04 0.00 0.00 34.50 31.01 2bpn s PRO 17 CO -0.23 0.05 0.04 0.08 0.04 0.00 0.00 177.00 176.98 2bpn s VAL 18 N 0.67 0.37 0.41 -0.36 1.01 0.42 -4.83 120.40 118.08 2bpn s VAL 18 Ca 0.48 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 2bpn s VAL 18 Cb -0.21 -0.79 -0.11 0.00 0.00 0.00 0.00 36.38 35.27 2bpn s VAL 18 CO 0.27 -0.08 0.92 0.54 0.00 0.00 0.00 175.10 176.75 2bpn s VAL 19 N 1.94 4.43 -0.20 2.92 0.11 -1.26 -0.72 120.40 127.62 2bpn s VAL 19 Ca 0.01 1.41 -0.06 0.00 -2.93 0.00 0.00 61.98 60.42 2bpn s VAL 19 Cb -0.15 -3.61 0.09 0.00 -1.53 0.00 0.00 36.38 31.18 2bpn s VAL 19 CO -0.07 -0.29 0.39 0.12 -3.33 0.00 0.00 175.10 171.93 2bpn s PHE 20 N -2.13 -0.76 -0.11 1.54 2.19 -0.86 -4.92 117.98 112.94 2bpn s PHE 20 Ca 0.60 1.36 -0.12 0.00 0.33 0.00 0.00 56.93 59.10 2bpn s PHE 20 Cb -0.09 0.22 -0.05 0.00 -1.31 0.00 0.00 43.02 41.79 2bpn s PHE 20 CO 0.14 -0.50 0.28 -0.80 1.83 0.00 0.00 175.22 176.17 2bpn s ASN 21 N 2.58 6.52 0.39 6.13 0.02 -1.26 -4.33 114.94 124.99 2bpn s ASN 21 Ca 0.01 0.62 0.13 0.00 -1.02 0.00 0.00 52.86 52.60 2bpn s ASN 21 Cb -0.13 -2.17 0.79 0.00 0.02 0.00 0.00 41.25 39.77 2bpn s ASN 21 CO -0.13 0.25 1.86 0.45 0.02 0.00 0.00 177.10 179.55 2bpn h HIS 22 N 5.67 0.00 -0.34 2.20 3.86 -1.89 -2.36 115.15 122.29 2bpn h HIS 22 Ca -0.48 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.68 2bpn h HIS 22 Cb 1.20 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.65 2bpn h HIS 22 CO 0.67 0.33 -0.02 0.66 0.86 0.00 0.00 177.93 180.44 2bpn h SER 23 N 0.00 0.50 -0.09 2.45 4.64 -1.93 0.20 113.55 119.32 2bpn h SER 23 Ca -0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2bpn h SER 23 Cb 0.59 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2bpn h SER 23 CO 0.04 0.58 0.00 0.35 -0.87 0.00 0.00 176.83 176.93 2bpn n THR 24 N -4.27 0.11 -2.71 2.95 -2.24 -0.90 -3.76 114.28 103.46 2bpn n THR 24 Ca 0.01 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 2bpn n THR 24 Cb 0.26 0.02 0.07 0.00 -2.10 0.00 0.00 70.33 68.59 2bpn n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2bpn n HIS 25 N -0.25 -0.96 -0.01 4.78 8.25 -0.13 -4.90 115.22 122.00 2bpn n HIS 25 Ca 0.13 -2.38 0.08 0.00 -0.26 0.00 0.00 57.72 55.30 2bpn n HIS 25 Cb 0.18 0.73 -0.14 0.00 1.12 0.00 0.00 29.99 31.87 2bpn n HIS 25 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2bpn n LYS 26 N -0.27 0.60 -1.10 -0.41 2.85 -0.13 -4.36 118.16 115.33 2bpn n LYS 26 Ca 0.04 -0.16 -0.24 0.00 -1.05 0.00 0.00 58.31 56.89 2bpn n LYS 26 Cb 0.82 -1.44 0.05 0.00 -0.65 0.00 0.00 35.03 33.81 2bpn n LYS 26 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2bpn n SER 27 N -2.18 6.97 -4.01 -5.58 2.88 -1.26 -4.87 113.62 105.58 2bpn n SER 27 Ca -0.05 -3.36 -0.15 0.00 -1.33 0.00 0.00 58.87 53.98 2bpn n SER 27 Cb 0.52 -1.03 -0.13 0.00 -0.75 0.00 0.00 64.21 62.81 2bpn n SER 27 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2bpn s VAL 28 N -3.32 0.51 -0.34 2.46 1.01 -1.26 -5.09 120.40 114.36 2bpn s VAL 28 Ca 0.45 -0.59 -0.41 0.00 0.00 0.00 0.00 61.98 61.43 2bpn s VAL 28 Cb 0.35 -0.49 -0.16 0.00 0.00 0.00 0.00 36.38 36.08 2bpn s VAL 28 CO -0.02 -0.07 1.79 1.17 0.00 0.00 0.00 175.10 177.96 2bpn n LYS 29 N 2.33 0.85 0.32 2.72 0.00 -1.26 -4.72 118.16 118.41 2bpn n LYS 29 Ca -0.17 0.30 0.17 0.00 0.00 0.00 0.00 58.31 58.62 2bpn n LYS 29 Cb 0.57 -1.98 0.89 0.00 0.00 0.00 0.00 35.03 34.51 2bpn n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2bpn n GLY 31 N -1.21 2.52 0.13 0.00 0.00 -1.26 -3.31 105.19 102.05 2bpn n GLY 31 Ca -0.02 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 3.93 0.41 0.01 1.61 3.58 0.21 -3.36 116.42 122.80 2bpn h ASP 32 Ca 0.00 -0.73 -0.40 0.00 0.42 0.00 0.00 57.03 56.33 2bpn h ASP 32 Cb 1.33 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 42.19 2bpn h ASP 32 CO 0.20 1.63 -2.22 0.00 -2.88 0.00 0.00 179.24 175.97 2bpn n HIS 34 N -4.10 4.73 -1.37 0.00 8.25 -1.21 -5.02 115.22 116.50 2bpn n HIS 34 Ca -0.47 -3.43 -0.31 0.00 -0.26 0.00 0.00 57.72 53.25 2bpn n HIS 34 Cb 0.87 -1.98 0.08 0.00 1.12 0.00 0.00 29.99 30.08 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 0.38 2.77 0.21 4.41 -0.00 -1.26 -4.42 115.29 117.39 2bpn s HIS 35 Ca 0.38 1.51 -0.31 0.00 -0.00 0.00 0.00 55.06 56.64 2bpn s HIS 35 Cb -0.03 -2.99 -0.10 0.00 -0.00 0.00 0.00 32.58 29.45 2bpn s HIS 35 CO -0.02 -1.59 1.56 -2.14 -0.00 0.00 0.00 174.74 172.55 2bpn s PRO 36 N -4.95 4.20 -0.05 -0.38 0.02 -1.26 -3.38 135.00 129.21 2bpn s PRO 36 Ca 0.60 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 64.02 2bpn s PRO 36 Cb -0.16 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 31.28 2bpn s PRO 36 CO 0.56 -0.58 0.03 0.08 -0.33 0.00 0.00 177.00 176.75 2bpn s VAL 37 N 0.67 0.11 -1.17 3.83 1.01 -1.23 -4.80 120.40 118.82 2bpn s VAL 37 Ca 0.67 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.82 2bpn s VAL 37 Cb -0.45 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.65 2bpn s VAL 37 CO 0.37 0.19 0.87 0.59 0.00 0.00 0.00 175.10 177.12 2bpn n ASN 38 N 4.90 -5.58 -3.58 3.32 5.03 -1.26 -2.92 115.26 115.17 2bpn n ASN 38 Ca -0.11 -0.39 -0.26 0.00 0.87 0.00 0.00 54.58 54.68 2bpn n ASN 38 Cb 0.50 -4.25 0.05 0.00 -1.02 0.00 0.00 39.78 35.06 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 -1.67 -0.91 0.00 7.41 0.00 -1.26 -4.96 105.19 103.80 2bpn n GLY 39 Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2bpn n GLY 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bpn n LYS 40 N -3.96 0.00 -0.68 1.61 4.81 -1.15 -5.12 118.16 113.67 2bpn n LYS 40 Ca -0.12 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.05 2bpn n LYS 40 Cb 0.61 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.63 2bpn n LYS 40 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2bpn n GLU 41 N 0.00 0.00 -4.34 1.64 1.02 -1.26 -3.52 120.64 114.18 2bpn n GLU 41 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 2bpn n GLU 41 Cb 0.00 -0.65 -0.10 0.00 -0.02 0.00 0.00 31.44 30.66 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 0.35 4.48 -0.04 1.62 -1.08 -1.22 -4.81 116.67 115.96 2bpn s ASP 42 Ca 0.41 -0.29 0.14 0.00 -0.52 0.00 0.00 52.55 52.29 2bpn s ASP 42 Cb -0.58 -0.93 0.25 0.00 -1.46 0.00 0.00 42.92 40.20 2bpn s ASP 42 CO 0.28 0.22 1.11 -1.22 0.52 0.00 0.00 175.17 176.08 2bpn n TYR 43 N 1.05 0.00 -2.63 -5.34 4.02 -1.26 -4.49 117.16 108.52 2bpn n TYR 43 Ca -0.14 -0.48 -0.22 0.00 -0.01 0.00 0.00 57.90 57.05 2bpn n TYR 43 Cb 0.52 -0.12 0.04 0.00 -0.02 0.00 0.00 39.34 39.76 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 -0.70 2.57 0.21 -0.72 0.52 -1.26 -5.00 118.95 114.57 2bpn s ARG 44 Ca 0.21 -0.68 -0.24 0.00 -0.52 0.00 0.00 55.73 54.50 2bpn s ARG 44 Cb 0.23 -2.46 -0.15 0.00 0.52 0.00 0.00 34.95 33.09 2bpn s ARG 44 CO -0.07 -0.72 0.39 1.63 0.02 0.00 0.00 175.30 176.55 2bpn n LYS 45 N -2.38 0.00 -0.01 3.54 5.02 -1.26 -4.82 118.16 118.25 2bpn n LYS 45 Ca 0.07 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.25 2bpn n LYS 45 Cb 0.59 -0.88 -0.05 0.00 -0.02 0.00 0.00 35.03 34.67 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 -0.99 0.08 1.20 0.00 0.00 -1.26 -3.91 105.19 100.31 2bpn n GLY 47 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.23 -0.22 -3.02 2.61 -1.04 -1.26 -3.00 114.28 108.12 2bpn n THR 48 Ca 0.00 0.47 -0.41 0.00 -2.04 0.00 0.00 64.05 62.07 2bpn n THR 48 Cb 0.00 -0.83 -0.05 0.00 -1.82 0.00 0.00 70.33 67.63 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 -3.63 3.62 0.00 2.41 0.00 -1.26 -3.51 121.76 119.39 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 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2bpn s ALA 49 CO 0.00 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2bpn n GLY 50 N 3.94 1.82 0.00 0.00 0.00 -1.26 -5.06 105.19 104.64 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 0.78 -1.09 0.00 8.25 -1.16 -4.53 115.22 117.46 2bpn n HIS 52 Ca 0.00 -0.52 -0.01 0.00 -0.26 0.00 0.00 57.72 56.93 2bpn n HIS 52 Cb 0.00 -1.82 0.28 0.00 1.12 0.00 0.00 29.99 29.57 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 14.38 4.27 -4.38 0.41 5.75 -1.24 -4.15 116.55 131.58 2bpn n ASP 53 Ca 0.44 -3.24 -0.34 0.00 -0.01 0.00 0.00 54.79 51.64 2bpn n ASP 53 Cb 0.45 -0.67 -0.13 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 -1.51 4.46 -0.46 -1.12 0.15 -1.13 -5.01 113.70 109.08 2bpn s SER 54 Ca 0.50 -0.29 0.09 0.00 0.70 0.00 0.00 55.95 56.95 2bpn s SER 54 Cb 0.41 -1.74 0.37 0.00 -1.71 0.00 0.00 66.02 63.34 2bpn s SER 54 CO 0.10 0.06 0.90 0.23 1.20 0.00 0.00 173.24 175.73 2bpn n MET 55 N 4.23 2.24 -4.54 5.44 2.81 -1.26 -0.85 117.12 125.19 2bpn n MET 55 Ca -0.18 -4.12 -0.25 0.00 -1.81 0.00 0.00 57.70 51.35 2bpn n MET 55 Cb 0.52 -1.94 -0.11 0.00 -0.71 0.00 0.00 33.22 30.98 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 -3.08 3.19 -0.46 7.83 -1.08 -1.26 -5.08 116.67 116.74 2bpn s ASP 56 Ca 0.43 -1.36 0.03 0.00 -0.52 0.00 0.00 52.55 51.13 2bpn s ASP 56 Cb 0.34 -0.26 0.13 0.00 -1.46 0.00 0.00 42.92 41.67 2bpn s ASP 56 CO -0.10 -0.51 0.21 -0.75 0.52 0.00 0.00 175.17 174.54 2bpn s LYS 57 N -3.79 1.62 0.00 4.34 2.47 -1.26 -4.65 119.74 118.47 2bpn s LYS 57 Ca 0.35 -2.23 0.00 0.00 -1.56 0.00 0.00 55.97 52.53 2bpn s LYS 57 Cb 0.09 -2.92 0.00 0.00 -1.46 0.00 0.00 37.83 33.54 2bpn s LYS 57 CO 0.17 -1.09 0.00 1.63 0.16 0.00 0.00 175.35 176.21 2bpn n LYS 58 N 3.51 0.00 -3.76 4.03 5.02 -1.26 -5.07 118.16 120.63 2bpn n LYS 58 Ca 0.05 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.99 2bpn n LYS 58 Cb 0.35 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.25 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 5.18 0.00 4.39 2.15 -1.26 -5.04 116.67 122.09 2bpn s ASP 59 Ca 0.00 -2.48 0.00 0.00 0.43 0.00 0.00 52.55 50.50 2bpn s ASP 59 Cb 0.00 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.79 2bpn s ASP 59 CO 0.00 -0.44 0.00 0.29 -0.17 0.00 0.00 175.17 174.85 2bpn n LYS 60 N 3.98 0.00 0.00 4.34 5.02 -1.26 -4.61 118.16 125.63 2bpn n LYS 60 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2bpn n LYS 60 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 2bpn n LYS 60 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2bpn n SER 61 N 0.00 0.00 0.00 4.39 7.64 -1.26 -3.13 113.62 121.26 2bpn n SER 61 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 2bpn n SER 61 Cb 0.00 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 63.72 2bpn n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bpn n ALA 62 N -1.08 2.09 0.56 -0.43 0.00 -1.26 -1.53 120.51 118.86 2bpn n ALA 62 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.45 2bpn n ALA 62 Cb 0.00 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.24 0.29 -2.11 0.00 5.02 -1.26 -4.62 118.16 114.25 2bpn n LYS 63 Ca 0.11 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.98 2bpn n LYS 63 Cb 0.14 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 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 -3.66 1.47 0.01 0.72 0.00 -0.58 -2.82 107.32 102.46 2bpn s GLY 64 Ca 0.04 0.73 -0.25 0.00 0.00 0.00 0.00 44.72 45.23 2bpn s GLY 64 CO 0.79 2.94 1.29 -1.82 0.00 0.00 0.00 173.10 176.29 2bpn h TYR 65 N 9.63 -0.35 0.00 1.90 3.20 -1.26 -2.25 116.97 127.84 2bpn h TYR 65 Ca -0.35 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.51 2bpn h TYR 65 Cb 1.16 0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.55 2bpn h TYR 65 CO 0.88 -0.03 0.00 0.98 -1.64 0.00 0.00 178.16 178.34 2bpn n TYR 66 N -5.12 0.00 1.00 -3.82 4.19 -1.26 -1.91 117.16 110.24 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 0.25 -0.02 -0.06 0.00 0.49 0.00 0.00 39.34 40.00 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 -1.02 0.00 -0.84 2.98 -0.00 -0.97 -3.75 115.22 111.62 2bpn n HIS 67 Ca 0.17 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.43 2bpn n HIS 67 Cb 0.09 0.00 0.21 0.00 -0.12 0.00 0.00 29.99 30.16 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 -0.78 1.96 -2.13 3.57 0.24 -0.80 -4.28 118.33 116.10 2bpn n VAL 68 Ca 0.06 -1.80 -0.02 0.00 -2.04 0.00 0.00 64.34 60.55 2bpn n VAL 68 Cb 0.40 -0.11 -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 -0.57 0.00 0.00 7.34 -0.00 -1.23 -4.58 117.12 118.09 2bpn n MET 69 Ca 0.18 -1.04 0.00 0.00 -0.00 0.00 0.00 57.70 56.83 2bpn n MET 69 Cb 0.74 0.12 0.00 0.00 -0.00 0.00 0.00 33.22 34.08 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 0.13 0.00 -1.19 3.17 -0.00 -1.25 -4.15 115.22 111.94 2bpn n HIS 70 Ca -0.09 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.25 2bpn n HIS 70 Cb 0.77 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.78 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 -0.91 -4.09 -0.02 0.41 8.00 -1.26 -3.43 116.55 115.25 2bpn n ASP 71 Ca 0.00 0.54 0.02 0.00 0.71 0.00 0.00 54.79 56.06 2bpn n ASP 71 Cb 0.00 -0.85 -0.02 0.00 -0.02 0.00 0.00 41.12 40.23 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 1.62 4.83 -1.13 -1.24 2.85 -1.26 -4.42 118.16 119.40 2bpn n LYS 72 Ca 0.06 -0.08 -0.19 0.00 -1.05 0.00 0.00 58.31 57.04 2bpn n LYS 72 Cb 0.49 -0.77 -0.03 0.00 -0.65 0.00 0.00 35.03 34.07 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 -0.97 6.22 -4.59 -5.58 4.13 -1.26 -4.88 115.26 108.34 2bpn n ASN 73 Ca 0.01 -3.00 -0.25 0.00 1.68 0.00 0.00 54.58 53.02 2bpn n ASN 73 Cb 0.08 -1.19 -0.10 0.00 -1.54 0.00 0.00 39.78 37.04 2bpn n ASN 73 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2bpn s THR 74 N -1.65 2.39 0.23 3.41 -4.23 -1.26 -5.03 115.64 109.49 2bpn s THR 74 Ca 0.46 -2.09 -0.07 0.00 -1.18 0.00 0.00 61.69 58.80 2bpn s THR 74 Cb 0.30 -2.73 0.21 0.00 1.34 0.00 0.00 72.50 71.62 2bpn s THR 74 CO -0.10 -0.19 1.88 0.50 -0.54 0.00 0.00 174.62 176.18 2bpn h LYS 75 N 1.91 1.22 -6.80 3.99 1.63 -1.98 -3.42 116.57 113.11 2bpn h LYS 75 Ca -0.42 -0.11 -0.68 0.00 -0.85 0.00 0.00 60.65 58.59 2bpn h LYS 75 Cb 1.25 -0.26 -0.20 0.00 -0.60 0.00 0.00 32.23 32.42 2bpn h LYS 75 CO 0.69 0.85 -0.83 -0.06 -3.45 0.00 0.00 179.45 176.65 2bpn s PHE 76 N -5.98 2.42 0.84 1.91 0.08 -1.26 -5.12 117.98 110.88 2bpn s PHE 76 Ca -0.13 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.48 2bpn s PHE 76 Cb 0.17 -1.29 0.10 0.00 -0.57 0.00 0.00 43.02 41.43 2bpn s PHE 76 CO 0.82 0.37 1.19 0.15 -0.10 0.00 0.00 175.22 177.64 2bpn s LYS 77 N -2.13 1.41 0.00 0.44 1.02 -1.26 -4.98 119.74 114.24 2bpn s LYS 77 Ca 0.16 1.70 0.00 0.00 0.02 0.00 0.00 55.97 57.85 2bpn s LYS 77 Cb -0.10 -1.76 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 2bpn s LYS 77 CO 0.08 -2.37 0.00 0.43 -0.92 0.00 0.00 175.35 172.57 2bpn n SER 78 N -3.62 0.00 0.00 2.83 7.64 -1.26 -4.90 113.62 114.31 2bpn n SER 78 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2bpn n SER 78 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 1.32 0.01 0.00 2.07 -1.73 -2.95 116.25 114.96 2bpn h VAL 80 Ca 0.00 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.73 2bpn h VAL 80 Cb 0.00 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2bpn h VAL 80 CO 0.00 0.56 -0.02 1.23 0.02 0.00 0.00 177.57 179.36 2bpn h GLY 81 N 1.05 -1.04 -0.57 2.17 0.00 -1.80 1.30 103.07 104.17 2bpn h GLY 81 Ca 0.01 0.45 0.20 0.00 0.00 0.00 0.00 47.33 47.99 2bpn h GLY 81 CO 0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 176.54 176.22 2bpn h HIS 83 N 0.06 0.81 -0.08 0.00 3.86 -1.23 0.49 115.15 119.07 2bpn h HIS 83 Ca 0.46 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.61 2bpn h HIS 83 Cb 0.83 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 2bpn h HIS 83 CO -0.49 0.47 -0.33 0.28 0.86 0.00 0.00 177.93 178.73 2bpn h VAL 84 N 0.84 1.26 0.00 2.45 2.07 1.23 1.55 116.25 125.65 2bpn h VAL 84 Ca 0.27 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 2bpn h VAL 84 Cb 0.05 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2bpn h VAL 84 CO -0.08 0.37 -0.74 -0.33 0.02 0.00 0.00 177.57 176.82 2bpn h GLU 85 N 0.13 0.00 0.06 1.57 4.39 0.12 -3.32 114.58 117.54 2bpn h GLU 85 Ca 0.02 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.40 2bpn h GLU 85 Cb 0.64 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 2bpn h GLU 85 CO 0.05 0.19 -1.79 0.28 -1.16 0.00 0.00 179.01 176.57 2bpn h VAL 86 N 0.00 0.81 -1.74 3.13 2.07 0.50 -3.33 116.25 117.68 2bpn h VAL 86 Ca -0.04 -2.58 0.52 0.00 0.82 0.00 0.00 66.70 65.42 2bpn h VAL 86 Cb 1.23 2.50 -0.09 0.00 -1.52 0.00 0.00 31.29 33.41 2bpn h VAL 86 CO 0.03 0.70 1.23 0.00 0.02 0.00 0.00 177.57 179.55 2bpn n ALA 87 N -2.74 1.68 -0.65 1.67 0.00 0.52 -4.80 120.51 116.20 2bpn n ALA 87 Ca -0.22 0.66 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2bpn n ALA 87 Cb 1.05 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.79 0.05 2.03 0.00 0.00 -1.25 -2.72 105.19 101.51 2bpn n GLY 88 Ca 0.41 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 0.77 6.38 -4.02 4.61 0.00 -1.26 -4.76 120.51 122.23 2bpn n ALA 89 Ca 0.00 -1.91 -0.31 0.00 0.00 0.00 0.00 53.44 51.22 2bpn n ALA 89 Cb 0.00 -2.30 -0.16 0.00 0.00 0.00 0.00 19.45 16.99 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 1.88 3.27 -0.23 0.00 -1.08 -1.10 -4.98 116.67 114.43 2bpn s ASP 90 Ca 0.66 -0.80 0.04 0.00 -0.52 0.00 0.00 52.55 51.93 2bpn s ASP 90 Cb 0.32 -1.26 0.41 0.00 -1.46 0.00 0.00 42.92 40.94 2bpn s ASP 90 CO -0.02 -0.11 1.45 0.00 0.52 0.00 0.00 175.17 177.00 2bpn n ALA 91 N 4.69 4.02 -0.02 3.66 0.00 -1.26 -3.15 120.51 128.43 2bpn n ALA 91 Ca -0.16 -1.52 -0.05 0.00 0.00 0.00 0.00 53.44 51.71 2bpn n ALA 91 Cb 0.47 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.22 2.66 0.23 0.00 0.00 -1.26 -4.66 120.51 117.26 2bpn n ALA 92 Ca 0.29 -0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.66 2bpn n ALA 92 Cb 1.07 0.43 0.25 0.00 0.00 0.00 0.00 19.45 21.20 2bpn n ALA 92 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2bpn h LYS 93 N -0.19 0.00 0.00 0.00 1.57 -1.88 -2.89 116.57 113.18 2bpn h LYS 93 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2bpn h LYS 93 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2bpn h LYS 93 CO -0.08 0.01 0.00 0.36 -0.57 0.00 0.00 179.45 179.17 2bpn n LYS 94 N -3.10 0.05 -0.29 3.15 -0.00 -1.19 0.90 118.16 117.68 2bpn n LYS 94 Ca 0.03 0.27 0.07 0.00 -0.00 0.00 0.00 58.31 58.68 2bpn n LYS 94 Cb 0.50 -1.50 0.19 0.00 -0.00 0.00 0.00 35.03 34.22 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 -1.44 2.75 0.00 -1.58 4.81 -1.09 -3.73 118.16 117.88 2bpn n LYS 95 Ca 0.04 -2.46 0.00 0.00 -0.87 0.00 0.00 58.31 55.02 2bpn n LYS 95 Cb 0.12 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.61 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 -0.26 0.52 0.03 3.14 8.00 0.13 -4.24 116.55 123.87 2bpn n ASP 96 Ca 0.16 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.46 2bpn n ASP 96 Cb 0.67 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.66 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 0.81 -1.81 0.64 3.38 0.26 -1.75 115.31 116.84 2bpn h LEU 97 Ca 0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2bpn h LEU 97 Cb 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2bpn h LEU 97 CO 0.00 1.45 0.00 0.35 0.09 0.00 0.00 178.44 180.33 2bpn n THR 98 N -3.96 0.22 -0.80 0.22 -2.24 -1.25 -4.85 114.28 101.63 2bpn n THR 98 Ca -0.11 -0.61 -0.33 0.00 -2.27 0.00 0.00 64.05 60.73 2bpn n THR 98 Cb 0.83 1.10 0.12 0.00 -2.10 0.00 0.00 70.33 70.28 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 0.73 -1.88 0.09 3.38 0.00 -1.24 -4.93 105.19 101.33 2bpn n GLY 99 Ca 0.09 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.36 2.36 0.00 0.00 2.47 -1.26 -4.58 119.74 116.38 2bpn s LYS 101 Ca -0.21 -0.62 0.00 0.00 -1.56 0.00 0.00 55.97 53.58 2bpn s LYS 101 Cb 0.06 -1.93 0.00 0.00 -1.46 0.00 0.00 37.83 34.50 2bpn s LYS 101 CO 0.44 0.01 0.00 1.17 0.16 0.00 0.00 175.35 177.13 2bpn n LYS 102 N 3.98 0.00 -0.87 4.03 3.00 0.46 -5.01 118.16 123.76 2bpn n LYS 102 Ca -0.20 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.80 2bpn n LYS 102 Cb 0.52 -1.78 0.14 0.00 0.00 0.00 0.00 35.03 33.91 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 -3.05 3.40 0.27 3.14 0.15 -0.13 -4.49 113.70 112.98 2bpn s SER 103 Ca 0.00 2.09 -0.02 0.00 0.70 0.00 0.00 55.95 58.72 2bpn s SER 103 Cb 0.00 -2.55 0.42 0.00 -1.71 0.00 0.00 66.02 62.17 2bpn s SER 103 CO 0.00 -2.78 1.90 0.11 1.20 0.00 0.00 173.24 173.67 2bpn h LYS 104 N -1.63 1.14 -0.01 5.44 6.56 -1.64 1.03 116.57 127.46 2bpn h LYS 104 Ca -0.43 -0.07 -0.13 0.00 -1.06 0.00 0.00 60.65 58.95 2bpn h LYS 104 Cb 1.26 -0.26 0.01 0.00 -0.57 0.00 0.00 32.23 32.67 2bpn h LYS 104 CO 0.44 0.75 -0.52 0.00 -2.06 0.00 0.00 179.45 178.06 2bpn n HIS 106 N -4.28 3.22 1.20 0.00 8.25 -0.75 -4.50 115.22 118.36 2bpn n HIS 106 Ca -0.10 -3.50 0.13 0.00 -0.26 0.00 0.00 57.72 53.99 2bpn n HIS 106 Cb 0.63 -0.82 0.27 0.00 1.12 0.00 0.00 29.99 31.20 2bpn n HIS 106 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13