#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 0.79 -0.08 0.00 -0.04 -1.26 -5.06 135.00 129.36 2bpn n PRO 2 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2bpn n PRO 2 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 2bpn n PRO 2 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2bpn n LYS 3 N -0.20 0.49 -3.62 0.54 5.02 -1.26 -5.05 118.16 114.08 2bpn n LYS 3 Ca 0.00 0.33 -0.14 0.00 -2.02 0.00 0.00 58.31 56.48 2bpn n LYS 3 Cb 0.00 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.42 2bpn n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bpn s ALA 4 N -2.84 -1.73 1.23 7.82 0.00 -1.26 -5.17 121.76 119.80 2bpn s ALA 4 Ca -0.23 1.89 -0.19 0.00 0.00 0.00 0.00 51.96 53.43 2bpn s ALA 4 Cb 0.03 -1.01 0.30 0.00 0.00 0.00 0.00 23.12 22.44 2bpn s ALA 4 CO 0.34 -0.34 1.06 -1.25 0.00 0.00 0.00 175.76 175.58 2bpn s PRO 5 N 0.18 -1.43 -0.29 0.00 0.04 -1.26 -5.00 135.00 127.23 2bpn s PRO 5 Ca -0.01 0.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.01 2bpn s PRO 5 Cb -0.04 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.91 2bpn s PRO 5 CO 0.02 -3.88 0.18 0.00 0.04 0.00 0.00 177.00 173.36 2bpn s ALA 6 N -2.80 3.44 0.78 8.56 0.00 -1.26 -4.98 121.76 125.50 2bpn s ALA 6 Ca 0.70 -1.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 2bpn s ALA 6 Cb -0.12 -2.46 -0.14 0.00 0.00 0.00 0.00 23.12 20.39 2bpn s ALA 6 CO 0.57 -0.69 -0.55 -0.25 0.00 0.00 0.00 175.76 174.84 2bpn n ASP 7 N 5.04 -4.92 0.00 0.00 8.00 -1.26 -4.40 116.55 119.02 2bpn n ASP 7 Ca -0.14 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2bpn n ASP 7 Cb 0.51 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 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 2.95 1.75 3.88 0.44 0.00 -1.26 -5.09 105.19 107.86 2bpn n GLY 8 Ca 0.01 0.00 -0.35 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 4.38 -0.06 0.99 0.05 -1.26 -5.06 118.68 117.71 2bpn s LEU 9 Ca 0.00 0.63 -0.04 0.00 0.05 0.00 0.00 54.13 54.77 2bpn s LEU 9 Cb 0.00 -2.63 0.03 0.00 -2.05 0.00 0.00 46.19 41.54 2bpn s LEU 9 CO 0.00 0.27 0.16 -0.54 -0.55 0.00 0.00 176.35 175.69 2bpn s LYS 10 N -1.60 0.15 -0.64 1.48 3.01 -1.26 -2.29 119.74 118.58 2bpn s LYS 10 Ca 0.26 0.30 -0.15 0.00 -1.01 0.00 0.00 55.97 55.37 2bpn s LYS 10 Cb -0.14 -0.03 0.16 0.00 -1.01 0.00 0.00 37.83 36.82 2bpn s LYS 10 CO 0.14 -0.09 0.59 -1.64 0.51 0.00 0.00 175.35 174.87 2bpn s MET 11 N 0.58 3.18 -0.34 1.68 -1.94 0.44 -4.87 119.30 118.02 2bpn s MET 11 Ca -0.04 -1.99 0.10 0.00 -1.71 0.00 0.00 55.69 52.04 2bpn s MET 11 Cb -0.06 -4.32 0.45 0.00 2.01 0.00 0.00 34.83 32.92 2bpn s MET 11 CO -0.03 -1.31 1.12 -0.85 -0.01 0.00 0.00 175.02 173.95 2bpn n GLU 12 N 4.75 3.02 0.15 2.03 0.28 -1.26 -0.55 120.64 129.06 2bpn n GLU 12 Ca -0.04 -4.10 0.13 0.00 -0.16 0.00 0.00 57.16 52.99 2bpn n GLU 12 Cb 0.42 -2.06 0.45 0.00 1.43 0.00 0.00 31.44 31.68 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 2.48 1.00 -3.00 -1.84 0.00 -1.89 -3.45 119.26 112.55 2bpn h ALA 13 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2bpn h ALA 13 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2bpn h ALA 13 CO 0.69 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.19 2bpn n THR 14 N -2.47 0.00 -0.59 0.00 -2.24 -1.26 -5.00 114.28 102.73 2bpn n THR 14 Ca 0.03 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.64 2bpn n THR 14 Cb 0.35 -0.21 0.10 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.88 -3.25 -0.78 5.02 -1.26 -4.57 118.16 115.20 2bpn n LYS 15 Ca 0.00 -1.99 -0.04 0.00 -2.02 0.00 0.00 58.31 54.26 2bpn n LYS 15 Cb 0.00 -1.78 -0.03 0.00 -0.02 0.00 0.00 35.03 33.20 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 -2.22 0.74 -0.39 1.97 -1.52 -1.26 -5.11 119.66 111.87 2bpn s GLN 16 Ca 0.38 -0.33 -0.28 0.00 -1.95 0.00 0.00 55.36 53.18 2bpn s GLN 16 Cb 0.32 -0.11 -0.02 0.00 -0.22 0.00 0.00 33.01 32.97 2bpn s GLN 16 CO 0.05 -1.17 1.83 -2.14 -0.25 0.00 0.00 175.29 173.61 2bpn s PRO 17 N 1.85 3.16 -0.17 2.91 0.02 -1.26 -4.54 135.00 136.96 2bpn s PRO 17 Ca 0.16 1.27 -0.02 0.00 0.02 0.00 0.00 61.00 62.43 2bpn s PRO 17 Cb -0.08 -4.25 -0.02 0.00 0.02 0.00 0.00 34.50 30.18 2bpn s PRO 17 CO -0.08 -2.08 -0.08 0.08 -0.33 0.00 0.00 177.00 174.51 2bpn s VAL 18 N 7.50 3.34 0.21 3.83 1.01 0.29 -4.91 120.40 131.67 2bpn s VAL 18 Ca 0.78 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 2bpn s VAL 18 Cb -0.20 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 2bpn s VAL 18 CO 0.31 0.49 0.50 0.54 0.00 0.00 0.00 175.10 176.93 2bpn s VAL 19 N 0.72 5.01 -0.24 2.92 0.11 -1.26 0.17 120.40 127.83 2bpn s VAL 19 Ca -0.04 0.31 -0.06 0.00 -2.93 0.00 0.00 61.98 59.26 2bpn s VAL 19 Cb -0.15 -3.63 0.12 0.00 -1.53 0.00 0.00 36.38 31.19 2bpn s VAL 19 CO 0.02 -0.07 0.48 0.12 -3.33 0.00 0.00 175.10 172.32 2bpn s PHE 20 N -1.80 -1.01 -0.14 1.54 2.19 -0.97 -4.91 117.98 112.88 2bpn s PHE 20 Ca 0.45 1.59 -0.05 0.00 0.33 0.00 0.00 56.93 59.25 2bpn s PHE 20 Cb -0.11 0.38 -0.04 0.00 -1.31 0.00 0.00 43.02 41.94 2bpn s PHE 20 CO 0.23 -0.61 0.04 -0.80 1.83 0.00 0.00 175.22 175.91 2bpn s ASN 21 N 2.69 5.49 0.61 6.13 -0.87 -1.26 -4.30 114.94 123.42 2bpn s ASN 21 Ca 0.03 0.12 0.40 0.00 -1.57 0.00 0.00 52.86 51.83 2bpn s ASN 21 Cb -0.13 -1.80 2.04 0.00 -0.02 0.00 0.00 41.25 41.34 2bpn s ASN 21 CO -0.15 0.26 2.21 0.45 -2.57 0.00 0.00 177.10 177.30 2bpn h HIS 22 N 6.02 0.00 0.00 2.20 3.86 -1.94 -0.75 115.15 124.54 2bpn h HIS 22 Ca -0.42 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.73 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 -0.28 0.66 0.86 0.00 0.00 177.93 179.77 2bpn h SER 23 N 0.00 0.00 0.08 2.45 4.64 -1.96 0.45 113.55 119.21 2bpn h SER 23 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bpn h SER 23 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2bpn h SER 23 CO 0.00 0.28 -0.20 0.35 -0.87 0.00 0.00 176.83 176.39 2bpn n THR 24 N -3.82 0.00 -2.68 2.95 -2.24 -0.30 -4.20 114.28 103.99 2bpn n THR 24 Ca -0.01 -0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.45 2bpn n THR 24 Cb 0.37 0.74 0.06 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.04 0.04 0.34 4.78 8.25 -0.58 -4.86 115.22 123.15 2bpn n HIS 25 Ca 0.14 -2.46 0.08 0.00 -0.26 0.00 0.00 57.72 55.22 2bpn n HIS 25 Cb 0.41 0.25 0.13 0.00 1.12 0.00 0.00 29.99 31.90 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 -0.30 1.88 -0.84 -0.41 2.85 0.15 -4.29 118.16 117.20 2bpn n LYS 26 Ca 0.05 -1.81 -0.05 0.00 -1.05 0.00 0.00 58.31 55.44 2bpn n LYS 26 Cb 0.83 -1.35 0.20 0.00 -0.65 0.00 0.00 35.03 34.05 2bpn n LYS 26 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2bpn n SER 27 N 0.98 2.51 -3.95 -5.58 7.64 -1.26 -4.96 113.62 109.00 2bpn n SER 27 Ca 0.13 -3.81 -0.16 0.00 1.01 0.00 0.00 58.87 56.04 2bpn n SER 27 Cb 0.46 -0.63 -0.15 0.00 -1.01 0.00 0.00 64.21 62.88 2bpn n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2bpn s VAL 28 N -3.30 0.39 0.16 0.44 1.01 -1.26 -5.11 120.40 112.73 2bpn s VAL 28 Ca 0.45 -0.20 -0.34 0.00 0.00 0.00 0.00 61.98 61.89 2bpn s VAL 28 Cb 0.41 -0.34 -0.14 0.00 0.00 0.00 0.00 36.38 36.31 2bpn s VAL 28 CO -0.01 0.12 1.51 1.17 0.00 0.00 0.00 175.10 177.89 2bpn n LYS 29 N 3.03 1.96 0.16 2.72 3.00 -1.26 -4.80 118.16 122.97 2bpn n LYS 29 Ca -0.14 0.71 0.18 0.00 -0.00 0.00 0.00 58.31 59.05 2bpn n LYS 29 Cb 0.58 -2.43 0.78 0.00 0.00 0.00 0.00 35.03 33.95 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 -1.47 -0.79 0.09 0.00 0.00 -1.26 0.18 105.19 101.95 2bpn n GLY 31 Ca 0.04 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 0.51 -3.35 116.42 117.20 2bpn h ASP 32 Ca 0.00 -0.24 -0.21 0.00 -0.39 0.00 0.00 57.03 56.19 2bpn h ASP 32 Cb 0.13 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 2bpn h ASP 32 CO 0.00 1.19 -1.75 0.00 -1.61 0.00 0.00 179.24 177.07 2bpn n HIS 34 N -3.30 4.13 -1.37 0.00 8.25 0.49 -5.02 115.22 118.39 2bpn n HIS 34 Ca -0.25 -3.25 -0.31 0.00 -0.26 0.00 0.00 57.72 53.64 2bpn n HIS 34 Cb 0.71 -1.82 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 -0.33 2.66 0.12 4.41 -3.43 -1.26 -4.04 115.29 113.43 2bpn s HIS 35 Ca 0.37 1.54 -0.31 0.00 -0.80 0.00 0.00 55.06 55.85 2bpn s HIS 35 Cb -0.01 -3.04 -0.09 0.00 -1.43 0.00 0.00 32.58 28.01 2bpn s HIS 35 CO -0.00 -1.70 1.53 -2.14 -2.00 0.00 0.00 174.74 170.43 2bpn s PRO 36 N -4.81 4.24 -0.17 -0.38 0.02 -1.26 -3.06 135.00 129.58 2bpn s PRO 36 Ca 0.61 2.26 -0.01 0.00 0.02 0.00 0.00 61.00 63.88 2bpn s PRO 36 Cb -0.17 -3.29 0.05 0.00 0.02 0.00 0.00 34.50 31.10 2bpn s PRO 36 CO 0.54 -0.59 -0.03 0.08 -0.33 0.00 0.00 177.00 176.67 2bpn s VAL 37 N 1.51 1.00 -0.76 3.83 1.01 -1.18 -4.74 120.40 121.08 2bpn s VAL 37 Ca 0.69 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2bpn s VAL 37 Cb -0.40 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 34.74 2bpn s VAL 37 CO 0.31 0.05 0.64 -3.20 0.00 0.00 0.00 175.10 172.90 2bpn n ASN 38 N 4.90 -4.42 -3.63 3.32 4.05 -1.26 -3.12 115.26 115.11 2bpn n ASN 38 Ca -0.11 -0.29 -0.20 0.00 0.45 0.00 0.00 54.58 54.43 2bpn n ASN 38 Cb 0.47 -3.01 0.05 0.00 1.23 0.00 0.00 39.78 38.52 2bpn n ASN 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2bpn n GLY 39 N -1.33 -0.31 3.15 8.20 0.00 -1.26 -4.96 105.19 108.67 2bpn n GLY 39 Ca 0.00 0.12 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 -5.83 0.10 -0.03 1.61 2.20 -1.18 -5.13 119.74 111.48 2bpn s LYS 40 Ca 0.02 0.12 -0.24 0.00 -0.36 0.00 0.00 55.97 55.51 2bpn s LYS 40 Cb -0.01 0.06 -0.12 0.00 -1.51 0.00 0.00 37.83 36.25 2bpn s LYS 40 CO 0.79 -0.15 0.67 0.39 -0.36 0.00 0.00 175.35 176.69 2bpn n GLU 41 N 5.22 0.00 -4.87 4.03 1.02 -1.26 -3.09 120.64 121.70 2bpn n GLU 41 Ca 0.03 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.85 2bpn n GLU 41 Cb 0.57 -0.90 -0.13 0.00 -0.02 0.00 0.00 31.44 30.95 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 0.16 4.02 -0.07 1.62 -1.08 -1.17 -4.79 116.67 115.35 2bpn s ASP 42 Ca 0.55 -0.23 0.11 0.00 -0.52 0.00 0.00 52.55 52.47 2bpn s ASP 42 Cb -0.78 -1.02 0.17 0.00 -1.46 0.00 0.00 42.92 39.84 2bpn s ASP 42 CO 0.36 0.31 1.09 -1.22 0.52 0.00 0.00 175.17 176.22 2bpn n TYR 43 N 2.58 0.00 -2.33 -5.34 4.02 -1.26 -4.39 117.16 110.43 2bpn n TYR 43 Ca -0.17 -0.56 -0.25 0.00 -0.01 0.00 0.00 57.90 56.91 2bpn n TYR 43 Cb 0.52 -0.11 0.07 0.00 -0.02 0.00 0.00 39.34 39.80 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 -1.53 2.16 -0.33 -0.72 0.52 -1.26 -4.94 118.95 112.85 2bpn s ARG 44 Ca 0.18 -0.48 -0.44 0.00 -0.52 0.00 0.00 55.73 54.48 2bpn s ARG 44 Cb 0.16 -2.25 -0.20 0.00 0.52 0.00 0.00 34.95 33.19 2bpn s ARG 44 CO 0.01 -1.19 1.40 1.63 0.02 0.00 0.00 175.30 177.17 2bpn n LYS 45 N -2.81 0.00 -0.32 3.54 5.02 -1.26 -4.72 118.16 117.61 2bpn n LYS 45 Ca 0.09 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.58 2bpn n LYS 45 Cb 0.60 -1.47 0.40 0.00 -0.02 0.00 0.00 35.03 34.54 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 1.65 1.48 0.00 0.00 -1.26 -3.96 105.19 101.74 2bpn n GLY 47 Ca 0.28 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.31 2bpn n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bpn n THR 48 N 0.00 -2.28 -2.12 2.61 -1.04 -1.23 -3.43 114.28 106.78 2bpn n THR 48 Ca 0.00 1.16 -0.42 0.00 -2.04 0.00 0.00 64.05 62.75 2bpn n THR 48 Cb 0.00 -1.93 -0.03 0.00 -1.82 0.00 0.00 70.33 66.55 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 -5.12 3.63 0.00 2.41 0.00 -1.26 -2.45 121.76 118.97 2bpn s ALA 49 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2bpn s ALA 49 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2bpn s ALA 49 CO 0.00 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 174.88 2bpn n GLY 50 N 3.96 1.33 0.00 0.00 0.00 -1.26 -5.06 105.19 104.16 2bpn n GLY 50 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2bpn n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn s HIS 52 N 2.60 1.12 -0.22 0.00 3.76 -1.22 -4.58 115.29 116.75 2bpn s HIS 52 Ca 0.00 2.05 0.15 0.00 -0.15 0.00 0.00 55.06 57.12 2bpn s HIS 52 Cb 0.00 -3.41 -0.22 0.00 1.11 0.00 0.00 32.58 30.06 2bpn s HIS 52 CO 0.00 -1.51 0.42 -0.40 -0.85 0.00 0.00 174.74 172.41 2bpn n ASP 53 N 18.89 1.25 -4.66 1.40 5.75 -1.22 -4.10 116.55 133.86 2bpn n ASP 53 Ca 0.47 -0.25 -0.42 0.00 -0.01 0.00 0.00 54.79 54.58 2bpn n ASP 53 Cb 0.43 1.50 -0.03 0.00 -1.03 0.00 0.00 41.12 41.99 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 -3.38 6.44 -0.38 -1.12 0.15 -1.15 -4.89 113.70 109.37 2bpn s SER 54 Ca -0.02 2.51 0.11 0.00 0.70 0.00 0.00 55.95 59.24 2bpn s SER 54 Cb 0.10 -2.53 0.33 0.00 -1.71 0.00 0.00 66.02 62.21 2bpn s SER 54 CO 0.63 -1.08 0.69 0.23 1.20 0.00 0.00 173.24 174.91 2bpn n MET 55 N 7.52 0.91 -4.29 5.44 2.81 -1.26 -0.74 117.12 127.51 2bpn n MET 55 Ca 0.20 -3.33 -0.19 0.00 -1.81 0.00 0.00 57.70 52.57 2bpn n MET 55 Cb 0.42 -1.59 -0.08 0.00 -0.71 0.00 0.00 33.22 31.25 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 -2.14 1.57 -0.88 7.83 2.15 -1.26 -5.10 116.67 118.84 2bpn s ASP 56 Ca 0.39 -1.71 -0.05 0.00 0.43 0.00 0.00 52.55 51.61 2bpn s ASP 56 Cb 0.31 0.53 0.22 0.00 -0.30 0.00 0.00 42.92 43.68 2bpn s ASP 56 CO -0.09 -1.02 0.78 -0.75 -0.17 0.00 0.00 175.17 173.92 2bpn s LYS 57 N -3.56 3.37 0.00 4.34 2.20 -1.26 -4.70 119.74 120.13 2bpn s LYS 57 Ca 0.39 -3.03 0.00 0.00 -0.36 0.00 0.00 55.97 52.97 2bpn s LYS 57 Cb 0.03 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 2bpn s LYS 57 CO 0.25 -1.25 0.00 1.63 -0.36 0.00 0.00 175.35 175.62 2bpn n LYS 58 N 2.81 0.00 -1.68 4.03 5.02 -1.26 -5.11 118.16 121.97 2bpn n LYS 58 Ca 0.18 0.00 -0.65 0.00 -2.02 0.00 0.00 58.31 55.82 2bpn n LYS 58 Cb 0.39 0.00 -0.09 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 0.89 0.00 4.39 2.03 -1.26 -4.92 116.55 117.68 2bpn n ASP 59 Ca 0.00 1.18 0.00 0.00 0.52 0.00 0.00 54.79 56.49 2bpn n ASP 59 Cb 0.00 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 2bpn n ASP 59 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2bpn n LYS 60 N 3.32 3.19 0.00 -0.67 4.76 -1.26 -4.75 118.16 122.75 2bpn n LYS 60 Ca 0.28 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 2bpn n LYS 60 Cb -0.02 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 2bpn n LYS 60 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2bpn n SER 61 N 0.00 0.00 0.16 4.39 2.88 -1.26 -3.63 113.62 116.16 2bpn n SER 61 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 2bpn n SER 61 Cb 0.00 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.24 2bpn n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bpn h ALA 62 N 0.00 1.97 0.00 -1.46 0.00 -1.99 0.54 119.26 118.33 2bpn h ALA 62 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2bpn h ALA 62 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2bpn h ALA 62 CO 0.00 -0.39 -0.10 0.87 0.00 0.00 0.00 179.25 179.63 2bpn h LYS 63 N 0.00 0.00 -6.13 0.00 1.57 -1.92 -3.43 116.57 106.66 2bpn h LYS 63 Ca 0.12 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.24 2bpn h LYS 63 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2bpn h LYS 63 CO -0.00 0.10 1.17 0.41 -0.57 0.00 0.00 179.45 180.56 2bpn n GLY 64 N -1.18 0.95 0.14 3.86 0.00 0.19 -2.94 105.19 106.22 2bpn n GLY 64 Ca -0.03 0.90 -0.12 0.00 0.00 0.00 0.00 46.02 46.78 2bpn n GLY 64 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bpn h TYR 65 N 10.01 0.45 -0.00 1.61 3.20 -1.20 -2.33 116.97 128.72 2bpn h TYR 65 Ca -0.40 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.37 2bpn h TYR 65 Cb 1.30 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.46 2bpn h TYR 65 CO 0.88 0.66 -0.01 0.98 -1.64 0.00 0.00 178.16 179.03 2bpn n TYR 66 N -4.61 0.00 1.01 -3.82 4.19 -1.26 -2.66 117.16 110.02 2bpn n TYR 66 Ca -0.05 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.27 2bpn n TYR 66 Cb 0.29 -0.10 -0.02 0.00 0.49 0.00 0.00 39.34 39.99 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 -1.04 0.00 -0.58 2.98 -0.00 -0.96 -3.73 115.22 111.88 2bpn n HIS 67 Ca 0.20 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.46 2bpn n HIS 67 Cb 0.17 -0.04 0.24 0.00 -0.12 0.00 0.00 29.99 30.24 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 -1.18 1.67 -2.29 3.57 0.24 -0.92 -4.23 118.33 115.18 2bpn n VAL 68 Ca 0.06 -1.37 -0.01 0.00 -2.04 0.00 0.00 64.34 60.97 2bpn n VAL 68 Cb 0.36 0.14 -0.02 0.00 -1.47 0.00 0.00 33.84 32.85 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 0.27 0.12 0.00 7.34 -0.00 -1.24 -4.56 117.12 119.04 2bpn n MET 69 Ca 0.18 -1.57 0.00 0.00 -0.00 0.00 0.00 57.70 56.32 2bpn n MET 69 Cb 0.70 0.19 0.00 0.00 -0.00 0.00 0.00 33.22 34.11 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 0.15 0.00 -1.43 3.17 -0.00 -1.24 -4.17 115.22 111.69 2bpn n HIS 70 Ca -0.10 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.24 2bpn n HIS 70 Cb 0.92 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.95 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 -0.79 -0.99 -0.02 0.41 8.00 -1.26 -2.85 116.55 119.05 2bpn n ASP 71 Ca 0.00 0.71 0.02 0.00 0.71 0.00 0.00 54.79 56.23 2bpn n ASP 71 Cb 0.00 -1.19 -0.07 0.00 -0.02 0.00 0.00 41.12 39.84 2bpn n ASP 71 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2bpn n LYS 72 N -0.23 1.04 0.31 -1.24 2.85 -1.26 -4.30 118.16 115.33 2bpn n LYS 72 Ca 0.11 -0.06 0.17 0.00 -1.05 0.00 0.00 58.31 57.48 2bpn n LYS 72 Cb 0.48 -1.22 0.89 0.00 -0.65 0.00 0.00 35.03 34.53 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 -2.86 -5.58 4.21 -1.91 -3.43 115.58 106.01 2bpn h ASN 73 Ca -0.08 0.00 -0.49 0.00 1.21 0.00 0.00 56.30 56.94 2bpn h ASN 73 Cb 0.80 0.00 0.23 0.00 -1.12 0.00 0.00 38.32 38.22 2bpn h ASN 73 CO 0.00 0.00 -0.80 0.35 -1.29 0.00 0.00 177.43 175.70 2bpn n THR 74 N -2.83 0.00 -0.30 2.81 -2.24 -1.26 -4.87 114.28 105.59 2bpn n THR 74 Ca -0.02 -0.25 -0.04 0.00 -2.27 0.00 0.00 64.05 61.47 2bpn n THR 74 Cb 0.26 -0.64 0.11 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.88 1.19 -6.35 -0.78 3.64 -1.97 -3.43 116.57 106.99 2bpn h LYS 75 Ca -0.49 -0.15 -0.62 0.00 -1.27 0.00 0.00 60.65 58.12 2bpn h LYS 75 Cb 1.32 -0.23 -0.14 0.00 -0.41 0.00 0.00 32.23 32.77 2bpn h LYS 75 CO 0.37 0.89 -0.75 -0.06 -2.27 0.00 0.00 179.45 177.63 2bpn s PHE 76 N -5.74 2.41 0.83 1.91 0.08 -1.26 -5.12 117.98 111.09 2bpn s PHE 76 Ca -0.12 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.51 2bpn s PHE 76 Cb 0.17 -1.11 0.10 0.00 -0.57 0.00 0.00 43.02 41.61 2bpn s PHE 76 CO 0.82 0.61 1.16 0.15 -0.10 0.00 0.00 175.22 177.87 2bpn s LYS 77 N -3.21 1.56 0.00 0.44 1.02 -1.26 -4.89 119.74 113.39 2bpn s LYS 77 Ca 0.27 1.56 0.00 0.00 0.02 0.00 0.00 55.97 57.82 2bpn s LYS 77 Cb -0.07 -1.79 0.00 0.00 -0.52 0.00 0.00 37.83 35.46 2bpn s LYS 77 CO 0.14 -2.24 0.00 0.43 -0.92 0.00 0.00 175.35 172.77 2bpn n SER 78 N -3.65 0.00 0.00 2.83 7.64 -1.26 -4.90 113.62 114.28 2bpn n SER 78 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 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 0.05 0.00 2.07 -1.73 -3.02 116.25 115.00 2bpn h VAL 80 Ca 0.00 -2.09 -0.00 0.00 0.82 0.00 0.00 66.70 65.43 2bpn h VAL 80 Cb 0.00 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2bpn h VAL 80 CO 0.00 0.62 -0.06 1.23 0.02 0.00 0.00 177.57 179.39 2bpn h GLY 81 N 1.37 -0.88 -0.49 2.17 0.00 -1.78 0.85 103.07 104.31 2bpn h GLY 81 Ca -0.02 0.39 0.19 0.00 0.00 0.00 0.00 47.33 47.89 2bpn h GLY 81 CO 0.11 -0.32 0.01 0.00 0.00 0.00 0.00 176.54 176.34 2bpn h HIS 83 N 0.09 0.52 -0.30 0.00 3.86 -1.30 0.15 115.15 118.16 2bpn h HIS 83 Ca 0.45 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.50 2bpn h HIS 83 Cb 0.82 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 2bpn h HIS 83 CO -0.44 0.29 -0.50 0.28 0.86 0.00 0.00 177.93 178.42 2bpn h VAL 84 N 0.53 1.28 0.00 2.45 2.07 0.96 2.05 116.25 125.59 2bpn h VAL 84 Ca 0.22 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2bpn h VAL 84 Cb 0.20 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2bpn h VAL 84 CO -0.06 0.55 0.00 -0.62 0.02 0.00 0.00 177.57 177.46 2bpn n GLU 85 N -4.01 0.16 -0.05 1.57 -0.58 0.50 -3.67 120.64 114.55 2bpn n GLU 85 Ca -0.03 0.05 -0.09 0.00 -0.42 0.00 0.00 57.16 56.66 2bpn n GLU 85 Cb 0.60 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.94 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 -1.41 1.30 -1.07 2.62 0.31 0.37 -4.64 118.33 115.81 2bpn n VAL 86 Ca 0.09 0.11 -0.26 0.00 -0.01 0.00 0.00 64.34 64.28 2bpn n VAL 86 Cb 0.26 -2.00 -0.08 0.00 -0.91 0.00 0.00 33.84 31.12 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 -4.04 6.53 -1.72 3.52 0.00 0.69 -3.93 120.51 121.56 2bpn n ALA 87 Ca -0.16 -2.59 0.05 0.00 0.00 0.00 0.00 53.44 50.75 2bpn n ALA 87 Cb 0.44 -2.91 0.10 0.00 0.00 0.00 0.00 19.45 17.07 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 3.20 3.06 0.03 0.00 0.00 -1.24 -4.52 105.19 105.73 2bpn n GLY 88 Ca 0.59 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.61 1.86 -2.58 4.61 0.00 -1.25 -5.02 120.51 117.51 2bpn n ALA 89 Ca 0.11 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.91 2bpn n ALA 89 Cb 0.77 0.11 -0.13 0.00 0.00 0.00 0.00 19.45 20.19 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 -3.75 2.12 -0.28 0.00 2.15 -1.26 -5.02 116.67 110.63 2bpn s ASP 90 Ca -0.03 -0.56 0.05 0.00 0.43 0.00 0.00 52.55 52.44 2bpn s ASP 90 Cb 0.02 -0.13 0.53 0.00 -0.30 0.00 0.00 42.92 43.04 2bpn s ASP 90 CO 0.26 0.06 1.59 0.00 -0.17 0.00 0.00 175.17 176.91 2bpn n ALA 91 N 1.56 4.37 0.00 3.66 0.00 -1.26 -3.82 120.51 125.02 2bpn n ALA 91 Ca -0.19 -1.90 -0.01 0.00 0.00 0.00 0.00 53.44 51.34 2bpn n ALA 91 Cb 0.54 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.32 2.07 0.25 0.00 0.00 -1.26 -4.64 120.51 116.62 2bpn n ALA 92 Ca 0.36 -0.17 0.17 0.00 0.00 0.00 0.00 53.44 53.81 2bpn n ALA 92 Cb 1.23 0.07 0.90 0.00 0.00 0.00 0.00 19.45 21.65 2bpn n ALA 92 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2bpn h LYS 93 N -0.14 0.00 0.00 0.00 3.64 -1.95 0.21 116.57 118.32 2bpn h LYS 93 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2bpn h LYS 93 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2bpn h LYS 93 CO 0.00 0.00 0.19 1.57 -2.27 0.00 0.00 179.45 178.94 2bpn h LYS 94 N 0.00 0.00 -0.53 1.90 5.09 -1.79 1.78 116.57 123.01 2bpn h LYS 94 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.79 2bpn h LYS 94 Cb 0.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.67 2bpn h LYS 94 CO -0.00 0.00 0.00 1.17 -2.09 0.00 0.00 179.45 178.53 2bpn n LYS 95 N -2.68 3.80 0.00 0.07 4.81 0.72 -2.31 118.16 122.57 2bpn n LYS 95 Ca -0.02 -2.88 0.00 0.00 -0.87 0.00 0.00 58.31 54.54 2bpn n LYS 95 Cb 0.24 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.37 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 0.64 2.09 -0.07 3.14 8.00 0.56 -4.18 116.55 126.73 2bpn n ASP 96 Ca 0.24 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.56 2bpn n ASP 96 Cb 0.93 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.90 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 0.06 -1.63 0.64 3.38 -0.41 -1.82 115.31 115.52 2bpn h LEU 97 Ca 0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2bpn h LEU 97 Cb 0.55 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2bpn h LEU 97 CO 0.00 1.28 -0.07 0.35 0.09 0.00 0.00 178.44 180.09 2bpn n THR 98 N -4.44 0.00 -1.74 0.22 -2.24 -1.19 -4.83 114.28 100.06 2bpn n THR 98 Ca -0.20 -0.47 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 2bpn n THR 98 Cb 0.62 1.38 0.07 0.00 -2.10 0.00 0.00 70.33 70.30 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 -1.74 2.87 -0.15 3.38 0.00 -0.98 -4.91 107.32 105.79 2bpn s GLY 99 Ca 0.22 1.23 -0.10 0.00 0.00 0.00 0.00 44.72 46.07 2bpn s GLY 99 CO 0.29 1.67 0.29 0.00 0.00 0.00 0.00 173.10 175.35 2bpn s LYS 101 N -2.51 2.74 0.00 0.00 2.47 -1.26 -4.48 119.74 116.70 2bpn s LYS 101 Ca -0.25 -0.81 0.00 0.00 -1.56 0.00 0.00 55.97 53.36 2bpn s LYS 101 Cb 0.07 -2.32 0.00 0.00 -1.46 0.00 0.00 37.83 34.11 2bpn s LYS 101 CO 0.72 0.40 0.00 1.17 0.16 0.00 0.00 175.35 177.79 2bpn n LYS 102 N 2.94 0.00 -2.13 4.03 3.00 -1.02 -4.90 118.16 120.07 2bpn n LYS 102 Ca -0.18 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.79 2bpn n LYS 102 Cb 0.52 -1.49 0.01 0.00 0.00 0.00 0.00 35.03 34.08 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 -3.32 5.58 0.23 3.14 0.15 -1.09 -4.68 113.70 113.70 2bpn s SER 103 Ca 0.00 2.11 -0.07 0.00 0.70 0.00 0.00 55.95 58.69 2bpn s SER 103 Cb 0.00 -2.57 0.30 0.00 -1.71 0.00 0.00 66.02 62.04 2bpn s SER 103 CO 0.00 -1.32 1.82 0.11 1.20 0.00 0.00 173.24 175.05 2bpn h LYS 104 N 0.88 0.76 0.34 5.44 6.56 -1.66 1.50 116.57 130.39 2bpn h LYS 104 Ca -0.49 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.04 2bpn h LYS 104 Cb 1.26 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 2bpn h LYS 104 CO 0.56 0.50 -0.16 0.00 -2.06 0.00 0.00 179.45 178.29 2bpn n HIS 106 N -5.21 3.23 1.19 0.00 8.25 -0.82 -4.61 115.22 117.25 2bpn n HIS 106 Ca -0.10 -3.55 0.13 0.00 -0.26 0.00 0.00 57.72 53.94 2bpn n HIS 106 Cb 0.25 -0.80 0.26 0.00 1.12 0.00 0.00 29.99 30.82 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07