#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpn s PRO 2 N 0.00 3.68 0.00 0.00 0.04 -1.26 -5.04 135.00 132.42 2bpn s PRO 2 Ca 0.00 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.24 2bpn s PRO 2 Cb 0.00 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.71 2bpn s PRO 2 CO 0.00 -0.88 0.00 1.63 0.04 0.00 0.00 177.00 177.79 2bpn n LYS 3 N 6.41 0.00 -3.66 4.56 4.76 -1.26 -4.85 118.16 124.13 2bpn n LYS 3 Ca 0.02 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.19 2bpn n LYS 3 Cb 0.48 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.57 2bpn n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bpn n ALA 4 N -3.00 3.72 -0.99 7.82 0.00 -1.26 -5.09 120.51 121.71 2bpn n ALA 4 Ca 0.00 -4.63 -0.36 0.00 0.00 0.00 0.00 53.44 48.45 2bpn n ALA 4 Cb 0.00 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.53 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 1.43 -0.02 -2.19 0.00 -0.02 -1.26 -4.92 135.00 128.01 2bpn n PRO 5 Ca 0.25 -0.01 -0.28 0.00 -2.02 0.00 0.00 63.50 61.45 2bpn n PRO 5 Cb 0.38 -1.04 0.17 0.00 -0.02 0.00 0.00 33.50 32.99 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 -2.02 2.77 1.03 3.55 0.00 -1.26 -4.64 121.76 121.19 2bpn s ALA 6 Ca 0.40 -1.49 -0.22 0.00 0.00 0.00 0.00 51.96 50.65 2bpn s ALA 6 Cb -0.12 -2.45 -0.09 0.00 0.00 0.00 0.00 23.12 20.46 2bpn s ALA 6 CO 0.79 -2.16 -0.85 -0.25 0.00 0.00 0.00 175.76 173.28 2bpn n ASP 7 N -3.47 -3.33 0.00 0.00 8.00 -1.26 -4.64 116.55 111.85 2bpn n ASP 7 Ca 0.16 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2bpn n ASP 7 Cb 0.60 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 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 0.46 3.72 0.44 0.00 -1.26 -5.04 105.19 106.45 2bpn n GLY 8 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.20 -0.10 0.99 0.05 -1.26 -5.07 118.68 117.48 2bpn s LEU 9 Ca 0.00 0.26 -0.00 0.00 0.05 0.00 0.00 54.13 54.44 2bpn s LEU 9 Cb 0.00 -2.15 0.02 0.00 -2.05 0.00 0.00 46.19 42.02 2bpn s LEU 9 CO 0.00 0.14 -0.08 -1.59 -0.55 0.00 0.00 176.35 174.28 2bpn s LYS 10 N 0.51 1.48 -0.99 1.48 0.00 -1.26 -2.99 119.74 117.96 2bpn s LYS 10 Ca 0.10 -0.25 -0.15 0.00 0.00 0.00 0.00 55.97 55.67 2bpn s LYS 10 Cb -0.12 -1.51 0.19 0.00 0.00 0.00 0.00 37.83 36.39 2bpn s LYS 10 CO 0.00 -0.23 1.08 -1.64 0.00 0.00 0.00 175.35 174.56 2bpn s MET 11 N 1.58 3.82 -0.32 1.78 -1.94 -0.94 -4.79 119.30 118.49 2bpn s MET 11 Ca 0.02 -2.41 0.09 0.00 -1.71 0.00 0.00 55.69 51.68 2bpn s MET 11 Cb -0.13 -4.73 0.46 0.00 2.01 0.00 0.00 34.83 32.43 2bpn s MET 11 CO -0.07 -1.53 1.16 -0.85 -0.01 0.00 0.00 175.02 173.73 2bpn n GLU 12 N 4.87 3.29 0.26 2.03 0.28 -1.26 -1.29 120.64 128.82 2bpn n GLU 12 Ca 0.24 -4.13 0.13 0.00 -0.16 0.00 0.00 57.16 53.24 2bpn n GLU 12 Cb 0.45 -2.17 0.68 0.00 1.43 0.00 0.00 31.44 31.83 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 2.33 1.16 -3.00 -1.84 0.00 -1.86 -3.44 119.26 112.60 2bpn h ALA 13 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2bpn h ALA 13 Cb 1.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2bpn h ALA 13 CO 0.70 0.16 0.00 0.25 0.00 0.00 0.00 179.25 180.37 2bpn n THR 14 N -3.47 0.00 -0.47 0.00 -2.24 -1.26 -4.98 114.28 101.85 2bpn n THR 14 Ca -0.01 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 2bpn n THR 14 Cb 0.29 -0.75 0.11 0.00 -2.10 0.00 0.00 70.33 67.88 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 1.82 -3.26 -0.78 5.02 -1.26 -4.57 118.16 115.13 2bpn n LYS 15 Ca 0.00 -1.94 -0.05 0.00 -2.02 0.00 0.00 58.31 54.29 2bpn n LYS 15 Cb 0.00 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.21 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 -2.14 0.71 0.11 1.97 -0.21 -1.26 -5.13 119.66 113.71 2bpn s GLN 16 Ca 0.37 -0.37 -0.31 0.00 0.02 0.00 0.00 55.36 55.07 2bpn s GLN 16 Cb 0.31 -0.19 -0.09 0.00 1.00 0.00 0.00 33.01 34.04 2bpn s GLN 16 CO 0.07 -1.17 1.62 -2.14 -2.12 0.00 0.00 175.29 171.54 2bpn s PRO 17 N 1.84 4.21 -0.30 2.91 0.02 -1.26 -4.62 135.00 137.79 2bpn s PRO 17 Ca 0.15 2.35 -0.03 0.00 0.02 0.00 0.00 61.00 63.49 2bpn s PRO 17 Cb -0.09 -3.39 0.10 0.00 0.02 0.00 0.00 34.50 31.14 2bpn s PRO 17 CO -0.09 -0.68 0.13 0.08 -0.33 0.00 0.00 177.00 176.12 2bpn s VAL 18 N 1.94 0.10 0.56 3.83 1.01 -0.41 -4.88 120.40 122.55 2bpn s VAL 18 Ca 0.72 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 2bpn s VAL 18 Cb -0.42 -1.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 2bpn s VAL 18 CO 0.32 -0.74 1.02 0.54 0.00 0.00 0.00 175.10 176.23 2bpn s VAL 19 N 1.94 4.30 -0.15 2.92 0.11 -1.26 -2.22 120.40 126.03 2bpn s VAL 19 Ca 0.10 1.03 -0.05 0.00 -2.93 0.00 0.00 61.98 60.13 2bpn s VAL 19 Cb -0.17 -3.61 0.07 0.00 -1.53 0.00 0.00 36.38 31.14 2bpn s VAL 19 CO -0.32 -0.70 0.30 0.12 -3.33 0.00 0.00 175.10 171.17 2bpn s PHE 20 N -2.67 -0.52 0.17 1.54 2.19 -1.16 -4.92 117.98 112.61 2bpn s PHE 20 Ca 0.60 1.08 -0.16 0.00 0.33 0.00 0.00 56.93 58.78 2bpn s PHE 20 Cb -0.12 0.04 -0.07 0.00 -1.31 0.00 0.00 43.02 41.55 2bpn s PHE 20 CO 0.37 -0.40 0.60 -0.80 1.83 0.00 0.00 175.22 176.83 2bpn s ASN 21 N 2.47 6.90 0.16 6.13 -0.87 -1.26 -4.61 114.94 123.86 2bpn s ASN 21 Ca 0.01 1.19 0.09 0.00 -1.57 0.00 0.00 52.86 52.58 2bpn s ASN 21 Cb -0.12 -2.33 -0.13 0.00 -0.02 0.00 0.00 41.25 38.65 2bpn s ASN 21 CO -0.10 0.08 1.33 0.45 -2.57 0.00 0.00 177.10 176.30 2bpn h HIS 22 N 3.53 0.00 0.00 2.20 3.86 -1.88 -3.12 115.15 119.75 2bpn h HIS 22 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2bpn h HIS 22 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2bpn h HIS 22 CO 0.65 0.86 0.00 0.66 0.86 0.00 0.00 177.93 180.96 2bpn h SER 23 N 0.00 0.00 -0.40 2.45 4.64 -1.91 -0.71 113.55 117.62 2bpn h SER 23 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2bpn h SER 23 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 2bpn h SER 23 CO 0.11 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.42 2bpn n THR 24 N -2.87 0.51 -2.70 2.95 -2.24 -1.18 -4.35 114.28 104.40 2bpn n THR 24 Ca 0.00 -0.75 -0.08 0.00 -2.27 0.00 0.00 64.05 60.95 2bpn n THR 24 Cb 0.25 0.98 0.07 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.52 -0.80 -0.02 4.78 8.25 -0.36 -4.90 115.22 123.69 2bpn n HIS 25 Ca 0.20 -2.38 0.08 0.00 -0.26 0.00 0.00 57.72 55.36 2bpn n HIS 25 Cb 0.61 0.66 -0.16 0.00 1.12 0.00 0.00 29.99 32.22 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 -0.29 0.65 -0.86 -0.41 2.85 -0.67 -4.30 118.16 115.14 2bpn n LYS 26 Ca 0.04 -0.17 -0.17 0.00 -1.05 0.00 0.00 58.31 56.96 2bpn n LYS 26 Cb 0.82 -1.49 0.05 0.00 -0.65 0.00 0.00 35.03 33.76 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 -2.28 5.80 -4.02 -5.58 7.64 -1.26 -4.84 113.62 109.08 2bpn n SER 27 Ca -0.07 -3.05 -0.16 0.00 1.01 0.00 0.00 58.87 56.61 2bpn n SER 27 Cb 0.61 -0.96 -0.13 0.00 -1.01 0.00 0.00 64.21 62.72 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 -2.29 0.56 -0.29 0.44 1.01 -1.26 -5.09 120.40 113.47 2bpn s VAL 28 Ca 0.32 -0.62 -0.40 0.00 0.00 0.00 0.00 61.98 61.28 2bpn s VAL 28 Cb 0.26 -0.53 -0.16 0.00 0.00 0.00 0.00 36.38 35.95 2bpn s VAL 28 CO 0.01 -0.06 1.76 1.17 0.00 0.00 0.00 175.10 177.97 2bpn n LYS 29 N 2.31 1.12 0.33 2.72 0.00 -1.26 -4.73 118.16 118.65 2bpn n LYS 29 Ca -0.17 0.41 0.17 0.00 0.00 0.00 0.00 58.31 58.72 2bpn n LYS 29 Cb 0.56 -2.09 0.91 0.00 0.00 0.00 0.00 35.03 34.41 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 -1.20 2.45 0.13 0.00 0.00 -1.26 -3.29 105.19 102.03 2bpn n GLY 31 Ca -0.02 -0.79 -0.20 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 4.00 0.47 0.01 1.61 3.58 0.21 -3.35 116.42 122.95 2bpn h ASP 32 Ca 0.00 -0.78 -0.38 0.00 0.42 0.00 0.00 57.03 56.29 2bpn h ASP 32 Cb 1.21 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 42.05 2bpn h ASP 32 CO 0.13 1.67 -2.14 0.00 -2.88 0.00 0.00 179.24 176.02 2bpn n HIS 34 N -4.03 4.45 -1.36 0.00 8.25 -1.21 -5.03 115.22 116.30 2bpn n HIS 34 Ca -0.45 -3.38 -0.31 0.00 -0.26 0.00 0.00 57.72 53.32 2bpn n HIS 34 Cb 0.87 -1.86 0.08 0.00 1.12 0.00 0.00 29.99 30.21 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 -0.23 2.73 0.18 4.41 -0.00 -1.26 -4.41 115.29 116.70 2bpn s HIS 35 Ca 0.36 1.52 -0.31 0.00 -0.00 0.00 0.00 55.06 56.63 2bpn s HIS 35 Cb -0.03 -3.01 -0.10 0.00 -0.00 0.00 0.00 32.58 29.45 2bpn s HIS 35 CO -0.01 -1.64 1.56 -2.14 -0.00 0.00 0.00 174.74 172.51 2bpn s PRO 36 N -4.91 4.21 -0.05 -0.38 0.02 -1.26 -3.37 135.00 129.27 2bpn s PRO 36 Ca 0.60 2.37 -0.00 0.00 0.02 0.00 0.00 61.00 63.99 2bpn s PRO 36 Cb -0.16 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.24 2bpn s PRO 36 CO 0.55 -0.59 0.00 0.08 -0.33 0.00 0.00 177.00 176.71 2bpn s VAL 37 N 1.00 0.25 -1.30 3.83 1.01 -1.23 -4.78 120.40 119.17 2bpn s VAL 37 Ca 0.69 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 2bpn s VAL 37 Cb -0.44 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2bpn s VAL 37 CO 0.33 0.20 0.54 0.59 0.00 0.00 0.00 175.10 176.76 2bpn n ASN 38 N 4.61 -5.44 -3.46 3.32 5.03 -1.26 -2.82 115.26 115.23 2bpn n ASN 38 Ca -0.17 -0.25 -0.21 0.00 0.87 0.00 0.00 54.58 54.82 2bpn n ASN 38 Cb 0.50 -4.26 0.06 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 -1.43 -0.91 0.00 7.41 0.00 -1.26 -4.97 105.19 104.02 2bpn n GLY 39 Ca -0.09 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.75 0.00 -0.73 1.61 4.81 -1.13 -5.12 118.16 113.85 2bpn n LYS 40 Ca -0.13 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.02 2bpn n LYS 40 Cb 0.62 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 -4.44 1.64 1.02 -1.26 -3.50 120.64 114.10 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 -0.69 -0.11 0.00 -0.02 0.00 0.00 31.44 30.62 2bpn n GLU 41 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2bpn s ASP 42 N 0.42 4.44 -0.06 1.62 1.11 -1.22 -4.82 116.67 118.17 2bpn s ASP 42 Ca 0.44 -0.25 0.12 0.00 0.18 0.00 0.00 52.55 53.04 2bpn s ASP 42 Cb -0.62 -0.95 0.23 0.00 1.07 0.00 0.00 42.92 42.65 2bpn s ASP 42 CO 0.30 0.25 1.11 -1.22 1.18 0.00 0.00 175.17 176.79 2bpn n TYR 43 N 1.34 0.00 -2.59 4.23 4.02 -1.26 -4.48 117.16 118.42 2bpn n TYR 43 Ca -0.15 -0.55 -0.22 0.00 -0.01 0.00 0.00 57.90 56.97 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 -1.08 2.55 0.22 -0.72 0.52 -1.26 -5.00 118.95 114.19 2bpn s ARG 44 Ca 0.21 -0.62 -0.23 0.00 -0.52 0.00 0.00 55.73 54.57 2bpn s ARG 44 Cb 0.21 -2.43 -0.15 0.00 0.52 0.00 0.00 34.95 33.10 2bpn s ARG 44 CO -0.05 -0.76 0.37 1.63 0.02 0.00 0.00 175.30 176.52 2bpn n LYS 45 N -2.43 0.00 -0.17 3.54 4.01 -1.26 -4.81 118.16 117.04 2bpn n LYS 45 Ca 0.07 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.80 2bpn n LYS 45 Cb 0.59 -0.88 0.01 0.00 -0.51 0.00 0.00 35.03 34.25 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 -1.09 0.76 1.22 0.00 0.00 -1.26 -3.94 105.19 100.88 2bpn n GLY 47 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.21 -0.22 -3.04 2.61 -1.04 -1.26 -3.07 114.28 108.05 2bpn n THR 48 Ca 0.00 0.47 -0.41 0.00 -2.04 0.00 0.00 64.05 62.08 2bpn n THR 48 Cb 0.00 -0.84 -0.06 0.00 -1.82 0.00 0.00 70.33 67.62 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 -3.62 3.59 0.00 2.41 0.00 -1.26 -3.55 121.76 119.33 2bpn s ALA 49 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2bpn s ALA 49 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2bpn s ALA 49 CO 0.00 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2bpn n GLY 50 N 3.89 1.80 0.00 0.00 0.00 -1.26 -5.05 105.19 104.57 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 s HIS 52 N 3.99 1.22 -0.17 0.00 3.76 -1.17 -4.62 115.29 118.29 2bpn s HIS 52 Ca 0.00 1.95 0.17 0.00 -0.15 0.00 0.00 55.06 57.04 2bpn s HIS 52 Cb 0.00 -3.46 0.47 0.00 1.11 0.00 0.00 32.58 30.70 2bpn s HIS 52 CO 0.00 -1.34 1.35 -0.40 -0.85 0.00 0.00 174.74 173.50 2bpn n ASP 53 N 18.55 3.46 -4.58 1.40 5.75 -1.25 -4.17 116.55 135.72 2bpn n ASP 53 Ca 0.45 -3.05 -0.40 0.00 -0.01 0.00 0.00 54.79 51.78 2bpn n ASP 53 Cb 0.44 -0.52 -0.09 0.00 -1.03 0.00 0.00 41.12 39.93 2bpn n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2bpn s SER 54 N -2.20 6.23 -0.44 -1.12 0.15 -1.20 -4.97 113.70 110.16 2bpn s SER 54 Ca 0.40 0.07 0.10 0.00 0.70 0.00 0.00 55.95 57.21 2bpn s SER 54 Cb 0.33 -2.21 0.36 0.00 -1.71 0.00 0.00 66.02 62.78 2bpn s SER 54 CO 0.07 -0.27 0.83 0.23 1.20 0.00 0.00 173.24 175.30 2bpn n MET 55 N 5.39 1.78 -1.79 5.44 2.81 -1.26 -1.76 117.12 127.73 2bpn n MET 55 Ca -0.08 -3.88 0.00 0.00 -1.81 0.00 0.00 57.70 51.93 2bpn n MET 55 Cb 0.50 -1.87 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 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 0.07 1.41 -3.84 7.83 -0.08 -1.26 -5.12 116.55 115.56 2bpn n ASP 56 Ca 0.26 -0.89 -0.30 0.00 -1.51 0.00 0.00 54.79 52.35 2bpn n ASP 56 Cb 0.58 0.00 -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 -1.68 1.50 0.00 -0.67 2.47 -1.26 -4.87 119.74 115.22 2bpn s LYS 57 Ca 0.00 -2.11 0.00 0.00 -1.56 0.00 0.00 55.97 52.30 2bpn s LYS 57 Cb 0.00 -2.76 0.00 0.00 -1.46 0.00 0.00 37.83 33.61 2bpn s LYS 57 CO 0.00 -1.10 0.00 1.63 0.16 0.00 0.00 175.35 176.04 2bpn n LYS 58 N 3.62 0.00 -1.62 4.03 5.02 -1.26 -5.11 118.16 122.83 2bpn n LYS 58 Ca 0.06 0.00 -0.53 0.00 -2.02 0.00 0.00 58.31 55.81 2bpn n LYS 58 Cb 0.35 0.00 -0.06 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 1.88 -0.19 4.39 -0.08 -1.26 -4.83 116.55 116.46 2bpn n ASP 59 Ca 0.00 1.10 0.06 0.00 -1.51 0.00 0.00 54.79 54.44 2bpn n ASP 59 Cb 0.00 -1.18 0.10 0.00 2.34 0.00 0.00 41.12 42.38 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 3.35 2.24 -0.43 -0.67 5.02 -1.26 -4.68 118.16 121.73 2bpn n LYS 60 Ca 0.21 -2.16 -0.28 0.00 -2.02 0.00 0.00 58.31 54.05 2bpn n LYS 60 Cb 0.18 -1.33 0.25 0.00 -0.02 0.00 0.00 35.03 34.10 2bpn n LYS 60 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2bpn n SER 61 N -0.81 -2.84 -0.08 4.39 2.88 -1.26 -4.62 113.62 111.27 2bpn n SER 61 Ca 0.10 -0.43 0.20 0.00 -1.33 0.00 0.00 58.87 57.41 2bpn n SER 61 Cb 0.50 -1.06 0.63 0.00 -0.75 0.00 0.00 64.21 63.53 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 -2.92 2.41 -0.19 -1.46 0.00 -1.96 0.69 119.26 115.83 2bpn h ALA 62 Ca -0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2bpn h ALA 62 Cb 1.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2bpn h ALA 62 CO 0.36 -0.60 -0.03 0.87 0.00 0.00 0.00 179.25 179.85 2bpn h LYS 63 N 0.15 0.27 -6.10 0.00 1.79 -1.92 -3.43 116.57 107.33 2bpn h LYS 63 Ca 0.32 -0.05 -0.72 0.00 -2.18 0.00 0.00 60.65 58.02 2bpn h LYS 63 Cb 1.05 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2bpn h LYS 63 CO -0.05 0.33 1.09 0.41 -1.08 0.00 0.00 179.45 180.15 2bpn n GLY 64 N -1.09 0.70 0.12 3.86 0.00 0.24 -3.24 105.19 105.79 2bpn n GLY 64 Ca -0.00 0.95 -0.13 0.00 0.00 0.00 0.00 46.02 46.84 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 8.83 0.36 0.00 1.61 3.20 -1.62 -2.50 116.97 126.86 2bpn h TYR 65 Ca -0.38 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2bpn h TYR 65 Cb 1.33 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.52 2bpn h TYR 65 CO 0.84 0.68 0.00 0.98 -1.64 0.00 0.00 178.16 179.02 2bpn n TYR 66 N -4.62 0.00 1.00 -3.82 4.19 -1.26 -2.51 117.16 110.13 2bpn n TYR 66 Ca -0.06 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.25 2bpn n TYR 66 Cb 0.33 -0.15 -0.01 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 -1.15 0.00 -0.62 2.98 -0.00 -1.04 -3.49 115.22 111.91 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 0.17 -0.08 0.26 0.00 -0.12 0.00 0.00 29.99 30.23 2bpn n HIS 67 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 2bpn n VAL 68 N -1.50 1.76 -2.14 3.57 0.24 -0.97 -4.11 118.33 115.19 2bpn n VAL 68 Ca 0.04 -1.38 -0.01 0.00 -2.04 0.00 0.00 64.34 60.95 2bpn n VAL 68 Cb 0.33 0.10 -0.02 0.00 -1.47 0.00 0.00 33.84 32.78 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 0.35 0.00 0.00 7.34 -0.00 -1.24 -4.60 117.12 118.97 2bpn n MET 69 Ca 0.20 -1.06 0.00 0.00 -0.00 0.00 0.00 57.70 56.84 2bpn n MET 69 Cb 0.76 0.09 0.00 0.00 -0.00 0.00 0.00 33.22 34.07 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 0.14 0.00 -1.07 3.17 -0.00 -1.23 -3.95 115.22 112.28 2bpn n HIS 70 Ca -0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.28 2bpn n HIS 70 Cb 0.78 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.82 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 -0.90 -4.32 0.00 0.41 2.03 -1.26 -2.95 116.55 109.56 2bpn n ASP 71 Ca 0.00 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.68 2bpn n ASP 71 Cb 0.00 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 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 1.29 -0.16 -1.18 -0.67 2.85 -1.26 -4.35 118.16 114.67 2bpn n LYS 72 Ca 0.03 -0.40 -0.24 0.00 -1.05 0.00 0.00 58.31 56.65 2bpn n LYS 72 Cb 0.53 -0.90 0.02 0.00 -0.65 0.00 0.00 35.03 34.03 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 -0.09 6.74 -4.55 -5.58 4.13 -1.26 -4.90 115.26 109.75 2bpn n ASN 73 Ca 0.00 -3.27 -0.26 0.00 1.68 0.00 0.00 54.58 52.74 2bpn n ASN 73 Cb 0.02 -1.09 -0.10 0.00 -1.54 0.00 0.00 39.78 37.07 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 -2.85 2.32 0.24 3.41 -4.23 -1.26 -5.03 115.64 108.23 2bpn s THR 74 Ca 0.45 -2.18 -0.07 0.00 -1.18 0.00 0.00 61.69 58.71 2bpn s THR 74 Cb 0.34 -2.65 0.22 0.00 1.34 0.00 0.00 72.50 71.75 2bpn s THR 74 CO -0.09 -0.21 1.87 0.50 -0.54 0.00 0.00 174.62 176.15 2bpn h LYS 75 N 2.01 1.27 -6.38 3.99 3.64 -1.99 -3.42 116.57 115.68 2bpn h LYS 75 Ca -0.42 -0.13 -0.68 0.00 -1.27 0.00 0.00 60.65 58.15 2bpn h LYS 75 Cb 1.25 -0.26 -0.19 0.00 -0.41 0.00 0.00 32.23 32.63 2bpn h LYS 75 CO 0.69 0.90 -0.73 -0.06 -2.27 0.00 0.00 179.45 177.98 2bpn s PHE 76 N -5.91 2.79 0.85 1.91 0.08 -1.26 -5.10 117.98 111.33 2bpn s PHE 76 Ca -0.13 -0.11 -0.13 0.00 0.12 0.00 0.00 56.93 56.69 2bpn s PHE 76 Cb 0.17 -1.56 0.08 0.00 -0.57 0.00 0.00 43.02 41.14 2bpn s PHE 76 CO 0.83 0.34 0.99 1.63 -0.10 0.00 0.00 175.22 178.90 2bpn n LYS 77 N 1.52 -0.03 0.00 0.44 5.02 -1.26 -4.97 118.16 118.88 2bpn n LYS 77 Ca -0.15 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2bpn n LYS 77 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 2bpn n LYS 77 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2bpn n SER 78 N -2.87 0.00 0.00 4.39 7.64 -1.26 -4.90 113.62 116.61 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 0.51 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 1.45 0.00 0.00 2.07 -1.69 -3.06 116.25 115.01 2bpn h VAL 80 Ca 0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2bpn h VAL 80 Cb 0.10 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2bpn h VAL 80 CO 0.00 0.65 0.00 0.61 0.02 0.00 0.00 177.57 178.85 2bpn n GLY 81 N 0.43 -2.61 0.30 2.17 0.00 -1.15 0.82 105.19 105.16 2bpn n GLY 81 Ca -0.02 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 0.04 0.87 -0.07 0.00 3.86 -1.38 0.47 115.15 118.95 2bpn h HIS 83 Ca 0.45 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.57 2bpn h HIS 83 Cb 0.78 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 2bpn h HIS 83 CO -0.54 0.42 -0.45 0.28 0.86 0.00 0.00 177.93 178.50 2bpn h VAL 84 N 0.83 1.33 0.00 2.45 2.07 0.86 0.60 116.25 124.38 2bpn h VAL 84 Ca 0.37 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2bpn h VAL 84 Cb 0.36 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2bpn h VAL 84 CO -0.14 0.47 -0.30 -0.62 0.02 0.00 0.00 177.57 176.99 2bpn n GLU 85 N -3.99 0.03 -0.13 1.57 -0.58 0.43 -3.96 120.64 114.02 2bpn n GLU 85 Ca -0.02 0.01 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 2bpn n GLU 85 Cb 0.50 -1.53 -0.11 0.00 -0.57 0.00 0.00 31.44 29.74 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 -1.58 1.53 -0.30 2.62 0.31 0.14 -4.35 118.33 116.70 2bpn n VAL 86 Ca 0.06 -0.28 0.16 0.00 -0.01 0.00 0.00 64.34 64.27 2bpn n VAL 86 Cb 0.35 -1.93 0.30 0.00 -0.91 0.00 0.00 33.84 31.66 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 -3.98 0.53 -0.24 3.52 0.00 0.20 -4.72 120.51 115.82 2bpn n ALA 87 Ca -0.48 0.93 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2bpn n ALA 87 Cb 0.83 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.40 1.80 0.48 0.00 0.00 -1.25 -2.02 105.19 102.78 2bpn n GLY 88 Ca 0.23 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 2.40 1.95 -2.27 4.61 0.00 -1.26 -4.99 120.51 120.95 2bpn n ALA 89 Ca 0.00 -0.61 -0.43 0.00 0.00 0.00 0.00 53.44 52.40 2bpn n ALA 89 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2bpn n ALA 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bpn n ASP 90 N 0.00 4.67 0.19 0.00 -0.08 -0.86 -4.73 116.55 115.74 2bpn n ASP 90 Ca 0.00 -2.96 0.16 0.00 -1.51 0.00 0.00 54.79 50.48 2bpn n ASP 90 Cb 0.62 -1.61 0.64 0.00 2.34 0.00 0.00 41.12 43.11 2bpn n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bpn h ALA 91 N 6.40 1.87 -0.00 -1.67 0.00 -1.94 1.32 119.26 125.24 2bpn h ALA 91 Ca 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2bpn h ALA 91 Cb 0.72 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2bpn h ALA 91 CO 1.62 -0.69 -0.02 0.00 0.00 0.00 0.00 179.25 180.16 2bpn h ALA 92 N 1.11 0.01 0.00 0.00 0.00 -1.98 -3.19 119.26 115.21 2bpn h ALA 92 Ca 0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2bpn h ALA 92 Cb 1.24 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2bpn h ALA 92 CO -0.00 -0.13 -0.10 -0.22 0.00 0.00 0.00 179.25 178.80 2bpn h LYS 93 N -0.65 0.00 0.00 0.00 3.64 -0.37 -2.84 116.57 116.35 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 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2bpn h LYS 93 CO 0.00 0.10 0.00 0.36 -2.27 0.00 0.00 179.45 177.64 2bpn n LYS 94 N -3.15 0.14 -0.47 1.90 -0.00 0.40 0.88 118.16 117.84 2bpn n LYS 94 Ca 0.02 0.61 0.09 0.00 -0.00 0.00 0.00 58.31 59.03 2bpn n LYS 94 Cb 0.48 -1.92 0.31 0.00 -0.00 0.00 0.00 35.03 33.89 2bpn n LYS 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2bpn n LYS 95 N -2.21 3.32 0.00 -1.58 5.02 -1.07 -1.80 118.16 119.84 2bpn n LYS 95 Ca -0.01 -2.70 0.00 0.00 -2.02 0.00 0.00 58.31 53.58 2bpn n LYS 95 Cb 0.05 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 2bpn n LYS 95 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2bpn n ASP 96 N 0.96 1.82 -0.07 4.39 8.00 0.25 -4.15 116.55 127.75 2bpn n ASP 96 Ca 0.23 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.60 2bpn n ASP 96 Cb 0.76 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.75 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 0.00 -0.99 0.64 3.38 -0.58 -2.53 115.31 115.23 2bpn h LEU 97 Ca 0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2bpn h LEU 97 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2bpn h LEU 97 CO 0.00 0.99 -0.43 0.35 0.09 0.00 0.00 178.44 179.44 2bpn n THR 98 N -4.61 0.00 -1.52 0.22 -2.24 -1.20 -4.85 114.28 100.08 2bpn n THR 98 Ca -0.11 -0.28 -0.37 0.00 -2.27 0.00 0.00 64.05 61.01 2bpn n THR 98 Cb 0.43 1.25 0.05 0.00 -2.10 0.00 0.00 70.33 69.96 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 1.35 -0.81 0.13 3.38 0.00 -0.75 -4.91 105.19 103.57 2bpn n GLY 99 Ca 0.09 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.49 3.14 0.00 0.00 2.47 -1.26 -4.44 119.74 117.15 2bpn s LYS 101 Ca -0.31 -0.73 0.00 0.00 -1.56 0.00 0.00 55.97 53.37 2bpn s LYS 101 Cb 0.09 -2.50 0.00 0.00 -1.46 0.00 0.00 37.83 33.95 2bpn s LYS 101 CO 0.62 0.28 0.00 1.17 0.16 0.00 0.00 175.35 177.59 2bpn n LYS 102 N 3.29 0.00 -1.63 4.03 4.81 -0.97 -4.93 118.16 122.77 2bpn n LYS 102 Ca -0.18 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 56.93 2bpn n LYS 102 Cb 0.53 -1.04 0.07 0.00 0.02 0.00 0.00 35.03 34.60 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 4.75 0.25 3.14 0.15 -1.11 -4.65 113.70 113.05 2bpn s SER 103 Ca 0.00 2.13 -0.05 0.00 0.70 0.00 0.00 55.95 58.72 2bpn s SER 103 Cb 0.00 -2.56 0.29 0.00 -1.71 0.00 0.00 66.02 62.03 2bpn s SER 103 CO 0.00 -1.88 1.92 0.11 1.20 0.00 0.00 173.24 174.60 2bpn h LYS 104 N -0.12 1.30 0.33 5.44 6.56 -1.78 1.26 116.57 129.55 2bpn h LYS 104 Ca -0.47 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 59.03 2bpn h LYS 104 Cb 1.26 -0.29 0.00 0.00 -0.57 0.00 0.00 32.23 32.63 2bpn h LYS 104 CO 0.52 0.86 -0.16 0.00 -2.06 0.00 0.00 179.45 178.61 2bpn n HIS 106 N -5.13 3.13 1.21 0.00 8.25 -1.02 -4.64 115.22 117.03 2bpn n HIS 106 Ca -0.09 -3.31 0.13 0.00 -0.26 0.00 0.00 57.72 54.18 2bpn n HIS 106 Cb 0.27 -0.89 0.28 0.00 1.12 0.00 0.00 29.99 30.78 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07