#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 3.34 1.02 0.00 0.04 -1.26 -5.05 135.00 133.09 2bpn s PRO 2 Ca 0.00 -0.31 -0.13 0.00 0.04 0.00 0.00 61.00 60.59 2bpn s PRO 2 Cb 0.00 -3.93 0.21 0.00 0.04 0.00 0.00 34.50 30.82 2bpn s PRO 2 CO 0.00 -0.95 0.47 1.63 0.04 0.00 0.00 177.00 178.19 2bpn n LYS 3 N 6.20 -1.80 -3.54 4.56 5.02 -1.26 -4.95 118.16 122.40 2bpn n LYS 3 Ca -0.02 -0.79 -0.36 0.00 -2.02 0.00 0.00 58.31 55.12 2bpn n LYS 3 Cb 0.48 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 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 -2.06 3.70 1.08 7.82 0.00 -1.26 -5.09 121.76 125.96 2bpn s ALA 4 Ca 0.36 -0.31 -0.18 0.00 0.00 0.00 0.00 51.96 51.84 2bpn s ALA 4 Cb -0.06 -2.32 0.24 0.00 0.00 0.00 0.00 23.12 20.97 2bpn s ALA 4 CO 0.30 0.53 1.21 -1.25 0.00 0.00 0.00 175.76 176.55 2bpn s PRO 5 N -1.69 -0.31 0.27 0.00 0.04 -1.26 -5.04 135.00 127.02 2bpn s PRO 5 Ca 0.31 -0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.02 2bpn s PRO 5 Cb -0.15 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 2bpn s PRO 5 CO 0.17 -3.08 0.63 0.00 0.04 0.00 0.00 177.00 174.76 2bpn s ALA 6 N -3.41 3.46 1.03 8.56 0.00 -1.26 -4.88 121.76 125.26 2bpn s ALA 6 Ca 0.72 -0.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 2bpn s ALA 6 Cb -0.07 -2.58 -0.08 0.00 0.00 0.00 0.00 23.12 20.38 2bpn s ALA 6 CO 0.55 0.43 -0.81 -0.25 0.00 0.00 0.00 175.76 175.67 2bpn n ASP 7 N -0.24 -3.30 0.00 0.00 8.00 -1.26 -4.54 116.55 115.20 2bpn n ASP 7 Ca 0.02 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2bpn n ASP 7 Cb 0.53 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 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 2.91 1.50 3.60 0.44 0.00 -1.26 -5.08 105.19 107.30 2bpn n GLY 8 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2bpn n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bpn s LEU 9 N 0.00 4.04 -0.01 0.99 2.96 -1.26 -5.06 118.68 120.33 2bpn s LEU 9 Ca 0.00 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 2bpn s LEU 9 Cb 0.00 -2.19 -0.00 0.00 0.50 0.00 0.00 46.19 44.50 2bpn s LEU 9 CO 0.00 -0.07 -0.08 -1.59 -1.32 0.00 0.00 176.35 173.30 2bpn s LYS 10 N 1.75 0.68 -0.29 1.98 0.00 -1.26 -1.62 119.74 120.97 2bpn s LYS 10 Ca 0.09 -0.28 -0.08 0.00 0.00 0.00 0.00 55.97 55.70 2bpn s LYS 10 Cb -0.16 -0.65 -0.01 0.00 0.00 0.00 0.00 37.83 37.01 2bpn s LYS 10 CO 0.10 0.15 0.11 -1.64 0.00 0.00 0.00 175.35 174.08 2bpn s MET 11 N -0.10 3.34 -0.36 1.78 -1.94 0.44 -4.92 119.30 117.54 2bpn s MET 11 Ca 0.02 -0.70 0.13 0.00 -1.71 0.00 0.00 55.69 53.43 2bpn s MET 11 Cb -0.04 -3.46 0.39 0.00 2.01 0.00 0.00 34.83 33.73 2bpn s MET 11 CO -0.00 -0.37 0.91 -0.85 -0.01 0.00 0.00 175.02 174.70 2bpn n GLU 12 N 4.94 1.06 0.16 2.03 0.28 -1.26 0.16 120.64 128.01 2bpn n GLU 12 Ca -0.15 -3.02 0.06 0.00 -0.16 0.00 0.00 57.16 53.90 2bpn n GLU 12 Cb 0.49 -1.30 0.07 0.00 1.43 0.00 0.00 31.44 32.13 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 0.79 -3.00 -1.84 0.00 -1.93 -3.46 119.26 112.73 2bpn h ALA 13 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2bpn h ALA 13 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2bpn h ALA 13 CO 0.40 0.37 0.00 0.25 0.00 0.00 0.00 179.25 180.27 2bpn n THR 14 N -3.14 0.00 -0.23 0.00 -2.24 -1.26 -4.97 114.28 102.44 2bpn n THR 14 Ca 0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 2bpn n THR 14 Cb 0.65 -0.60 0.11 0.00 -2.10 0.00 0.00 70.33 68.39 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 1.83 -3.21 -0.78 5.02 -1.26 -4.64 118.16 115.12 2bpn n LYS 15 Ca 0.00 -1.68 -0.00 0.00 -2.02 0.00 0.00 58.31 54.60 2bpn n LYS 15 Cb 0.00 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.30 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 -1.85 0.50 0.00 1.97 -0.21 -1.26 -5.14 119.66 113.68 2bpn s GLN 16 Ca 0.32 0.60 -0.30 0.00 0.02 0.00 0.00 55.36 56.00 2bpn s GLN 16 Cb 0.26 0.13 -0.03 0.00 1.00 0.00 0.00 33.01 34.37 2bpn s GLN 16 CO 0.06 -0.86 1.03 -1.25 -2.12 0.00 0.00 175.29 172.15 2bpn s PRO 17 N 2.74 4.52 -0.19 2.91 0.04 -1.26 -4.56 135.00 139.20 2bpn s PRO 17 Ca 0.14 1.50 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 2bpn s PRO 17 Cb -0.13 -3.45 0.05 0.00 0.04 0.00 0.00 34.50 31.02 2bpn s PRO 17 CO -0.24 -0.12 -0.02 0.08 0.04 0.00 0.00 177.00 176.74 2bpn s VAL 18 N 1.13 0.99 0.41 -0.36 1.01 0.42 -4.81 120.40 119.20 2bpn s VAL 18 Ca 0.53 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 2bpn s VAL 18 Cb -0.23 -1.31 -0.11 0.00 0.00 0.00 0.00 36.38 34.74 2bpn s VAL 18 CO 0.27 -0.05 0.92 0.54 0.00 0.00 0.00 175.10 176.78 2bpn s VAL 19 N 1.66 4.43 -0.23 2.92 0.11 -1.26 -0.42 120.40 127.61 2bpn s VAL 19 Ca -0.02 1.41 -0.05 0.00 -2.93 0.00 0.00 61.98 60.39 2bpn s VAL 19 Cb -0.17 -3.61 0.11 0.00 -1.53 0.00 0.00 36.38 31.18 2bpn s VAL 19 CO -0.07 -0.28 0.44 0.12 -3.33 0.00 0.00 175.10 171.97 2bpn s PHE 20 N -2.13 -0.90 -0.21 1.54 2.19 -0.64 -4.92 117.98 112.91 2bpn s PHE 20 Ca 0.60 1.39 -0.10 0.00 0.33 0.00 0.00 56.93 59.15 2bpn s PHE 20 Cb -0.09 0.27 -0.05 0.00 -1.31 0.00 0.00 43.02 41.84 2bpn s PHE 20 CO 0.14 -0.59 0.13 -0.80 1.83 0.00 0.00 175.22 175.93 2bpn s ASN 21 N 2.63 6.18 0.65 6.13 -0.87 -1.26 -4.29 114.94 124.11 2bpn s ASN 21 Ca 0.04 0.21 0.41 0.00 -1.57 0.00 0.00 52.86 51.95 2bpn s ASN 21 Cb -0.13 -2.09 2.26 0.00 -0.02 0.00 0.00 41.25 41.27 2bpn s ASN 21 CO -0.15 0.16 2.27 0.45 -2.57 0.00 0.00 177.10 177.27 2bpn h HIS 22 N 6.81 0.00 -0.42 2.20 3.86 -1.89 -1.07 115.15 124.64 2bpn h HIS 22 Ca -0.40 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.76 2bpn h HIS 22 Cb 1.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 2bpn h HIS 22 CO 0.59 0.00 0.09 0.66 0.86 0.00 0.00 177.93 180.13 2bpn h SER 23 N 0.00 0.65 0.21 2.45 4.64 -1.92 0.49 113.55 120.07 2bpn h SER 23 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2bpn h SER 23 Cb 0.10 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2bpn h SER 23 CO 0.00 0.73 0.00 0.35 -0.87 0.00 0.00 176.83 177.04 2bpn n THR 24 N -4.52 0.06 -2.71 2.95 -2.24 -0.41 -3.29 114.28 104.12 2bpn n THR 24 Ca -0.00 0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.73 2bpn n THR 24 Cb 0.22 -0.57 0.05 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.12 0.74 0.35 4.78 8.25 -0.61 -4.84 115.22 122.77 2bpn n HIS 25 Ca 0.18 -2.52 0.09 0.00 -0.26 0.00 0.00 57.72 55.20 2bpn n HIS 25 Cb 0.15 -0.10 0.13 0.00 1.12 0.00 0.00 29.99 31.29 2bpn n HIS 25 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2bpn n LYS 26 N -0.28 1.90 -0.86 -0.41 4.76 0.16 -4.29 118.16 119.13 2bpn n LYS 26 Ca 0.07 -1.82 -0.04 0.00 -2.87 0.00 0.00 58.31 53.65 2bpn n LYS 26 Cb 0.82 -1.36 0.19 0.00 -1.84 0.00 0.00 35.03 32.84 2bpn n LYS 26 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2bpn n SER 27 N 0.99 2.55 -4.00 4.39 7.64 -1.26 -4.98 113.62 118.95 2bpn n SER 27 Ca 0.13 -3.83 -0.15 0.00 1.01 0.00 0.00 58.87 56.03 2bpn n SER 27 Cb 0.46 -0.59 -0.13 0.00 -1.01 0.00 0.00 64.21 62.94 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 -3.40 0.45 0.12 0.44 1.01 -1.26 -5.11 120.40 112.65 2bpn s VAL 28 Ca 0.44 -0.57 -0.32 0.00 0.00 0.00 0.00 61.98 61.53 2bpn s VAL 28 Cb 0.40 -0.44 -0.12 0.00 0.00 0.00 0.00 36.38 36.22 2bpn s VAL 28 CO -0.02 -0.09 1.78 1.17 0.00 0.00 0.00 175.10 177.94 2bpn n LYS 29 N 2.34 2.62 0.20 2.72 4.81 -1.26 -4.80 118.16 124.79 2bpn n LYS 29 Ca -0.17 0.95 0.18 0.00 -0.87 0.00 0.00 58.31 58.40 2bpn n LYS 29 Cb 0.57 -2.81 0.83 0.00 0.02 0.00 0.00 35.03 33.63 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 -1.37 -0.86 0.13 0.00 0.00 -1.26 0.55 105.19 102.38 2bpn n GLY 31 Ca 0.02 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 0.55 0.00 1.61 1.82 0.11 -3.35 116.42 117.16 2bpn h ASP 32 Ca 0.00 -0.73 -0.41 0.00 -0.39 0.00 0.00 57.03 55.50 2bpn h ASP 32 Cb 0.09 -0.18 -0.07 0.00 0.68 0.00 0.00 39.33 39.85 2bpn h ASP 32 CO 0.00 1.60 -2.45 0.00 -1.61 0.00 0.00 179.24 176.78 2bpn n HIS 34 N -3.76 4.39 -1.74 0.00 8.25 0.19 -5.02 115.22 117.52 2bpn n HIS 34 Ca -0.49 -3.34 -0.33 0.00 -0.26 0.00 0.00 57.72 53.30 2bpn n HIS 34 Cb 0.91 -1.87 0.05 0.00 1.12 0.00 0.00 29.99 30.20 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 -0.14 2.55 -0.21 4.41 -0.00 -1.26 -4.15 115.29 116.50 2bpn s HIS 35 Ca 0.37 1.56 -0.29 0.00 -0.00 0.00 0.00 55.06 56.69 2bpn s HIS 35 Cb -0.02 -3.21 -0.01 0.00 -0.00 0.00 0.00 32.58 29.34 2bpn s HIS 35 CO -0.01 -1.79 1.31 -1.25 -0.00 0.00 0.00 174.74 172.99 2bpn s PRO 36 N -4.03 4.11 0.07 -0.38 0.04 -1.26 -3.20 135.00 130.35 2bpn s PRO 36 Ca 0.68 1.55 0.07 0.00 0.04 0.00 0.00 61.00 63.35 2bpn s PRO 36 Cb -0.22 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 2bpn s PRO 36 CO 0.41 -0.87 -0.15 0.08 0.04 0.00 0.00 177.00 176.52 2bpn s VAL 37 N 3.88 3.06 -0.29 -0.36 1.01 -1.20 -4.55 120.40 121.95 2bpn s VAL 37 Ca 0.57 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2bpn s VAL 37 Cb -0.21 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.81 2bpn s VAL 37 CO 0.18 0.22 0.00 0.59 0.00 0.00 0.00 175.10 176.10 2bpn n ASN 38 N 1.14 -1.62 -2.82 3.32 5.03 -1.26 0.25 115.26 119.30 2bpn n ASN 38 Ca -0.15 0.36 -0.12 0.00 0.87 0.00 0.00 54.58 55.54 2bpn n ASN 38 Cb 0.52 -1.54 0.05 0.00 -1.02 0.00 0.00 39.78 37.79 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 -0.49 -0.58 3.15 7.41 0.00 -1.26 -5.02 105.19 108.39 2bpn n GLY 39 Ca -0.04 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.19 0.01 -0.22 1.61 2.20 0.14 -5.12 119.74 114.16 2bpn s LYS 40 Ca 0.29 0.01 -0.33 0.00 -0.36 0.00 0.00 55.97 55.58 2bpn s LYS 40 Cb -0.04 0.00 -0.15 0.00 -1.51 0.00 0.00 37.83 36.14 2bpn s LYS 40 CO 0.56 -0.01 1.03 0.39 -0.36 0.00 0.00 175.35 176.95 2bpn n GLU 41 N 5.16 0.00 -4.63 4.03 1.02 -1.26 -3.23 120.64 121.73 2bpn n GLU 41 Ca 0.04 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.84 2bpn n GLU 41 Cb 0.58 -1.11 -0.12 0.00 -0.02 0.00 0.00 31.44 30.77 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 1.32 4.59 -0.02 1.62 -1.08 -1.19 -4.87 116.67 117.03 2bpn s ASP 42 Ca 0.74 -0.06 0.03 0.00 -0.52 0.00 0.00 52.55 52.74 2bpn s ASP 42 Cb -1.04 -1.22 0.05 0.00 -1.46 0.00 0.00 42.92 39.25 2bpn s ASP 42 CO 0.53 0.34 0.87 -1.22 0.52 0.00 0.00 175.17 176.20 2bpn n TYR 43 N 2.41 0.00 -2.07 -5.34 4.02 -1.26 -4.43 117.16 110.49 2bpn n TYR 43 Ca -0.18 -0.34 -0.28 0.00 -0.01 0.00 0.00 57.90 57.09 2bpn n TYR 43 Cb 0.53 -0.05 0.16 0.00 -0.02 0.00 0.00 39.34 39.95 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 -0.84 1.03 0.14 -0.72 0.52 -1.26 -4.95 118.95 112.86 2bpn s ARG 44 Ca 0.06 -0.50 -0.34 0.00 -0.52 0.00 0.00 55.73 54.43 2bpn s ARG 44 Cb 0.05 -1.96 -0.16 0.00 0.52 0.00 0.00 34.95 33.39 2bpn s ARG 44 CO 0.01 -2.10 1.14 1.63 0.02 0.00 0.00 175.30 175.99 2bpn n LYS 45 N -3.51 0.93 0.24 3.54 5.02 -1.26 -4.80 118.16 118.33 2bpn n LYS 45 Ca 0.14 0.33 0.09 0.00 -2.02 0.00 0.00 58.31 56.86 2bpn n LYS 45 Cb 0.60 -1.82 0.62 0.00 -0.02 0.00 0.00 35.03 34.40 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 -0.85 5.96 3.89 0.00 0.00 -1.26 -3.70 105.19 109.22 2bpn n GLY 47 Ca -0.02 -2.71 -0.33 0.00 0.00 0.00 0.00 46.02 42.96 2bpn n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bpn s THR 48 N -5.39 5.19 0.08 2.61 2.01 -1.00 -4.80 115.64 114.34 2bpn s THR 48 Ca 0.49 0.11 -0.37 0.00 0.31 0.00 0.00 61.69 62.23 2bpn s THR 48 Cb 0.41 -3.62 -0.17 0.00 0.01 0.00 0.00 72.50 69.13 2bpn s THR 48 CO -0.21 0.14 1.31 0.00 -0.69 0.00 0.00 174.62 175.18 2bpn n ALA 49 N 0.41 -1.15 -0.13 7.40 0.00 -1.26 -1.46 120.51 124.33 2bpn n ALA 49 Ca -0.05 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2bpn n ALA 49 Cb 0.52 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.92 2bpn n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bpn n GLY 50 N 2.43 0.93 0.00 0.00 0.00 -1.26 -5.01 105.19 102.29 2bpn n GLY 50 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 1.86 1.77 -0.27 0.00 3.76 -1.24 -4.69 115.29 116.48 2bpn s HIS 52 Ca 0.00 0.69 0.15 0.00 -0.15 0.00 0.00 55.06 55.75 2bpn s HIS 52 Cb 0.00 -4.04 0.42 0.00 1.11 0.00 0.00 32.58 30.07 2bpn s HIS 52 CO 0.00 -1.83 1.32 -0.40 -0.85 0.00 0.00 174.74 172.98 2bpn n ASP 53 N 13.91 3.31 -4.57 1.40 5.68 -1.24 -4.13 116.55 130.91 2bpn n ASP 53 Ca 0.37 -2.82 -0.42 0.00 -0.50 0.00 0.00 54.79 51.43 2bpn n ASP 53 Cb 0.48 -0.44 -0.07 0.00 -1.14 0.00 0.00 41.12 39.95 2bpn n ASP 53 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2bpn s SER 54 N -1.94 6.42 -0.43 -1.12 0.15 -1.20 -4.95 113.70 110.63 2bpn s SER 54 Ca 0.35 0.16 0.10 0.00 0.70 0.00 0.00 55.95 57.26 2bpn s SER 54 Cb 0.28 -2.32 0.35 0.00 -1.71 0.00 0.00 66.02 62.62 2bpn s SER 54 CO 0.08 -0.56 0.81 0.23 1.20 0.00 0.00 173.24 175.01 2bpn n MET 55 N 5.97 1.70 -1.50 5.44 2.81 -1.26 -1.87 117.12 128.41 2bpn n MET 55 Ca -0.02 -3.83 0.00 0.00 -1.81 0.00 0.00 57.70 52.04 2bpn n MET 55 Cb 0.49 -1.85 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 0.09 0.05 -3.90 7.83 -0.08 -1.26 -5.12 116.55 114.16 2bpn n ASP 56 Ca 0.26 -0.75 -0.30 0.00 -1.51 0.00 0.00 54.79 52.50 2bpn n ASP 56 Cb 0.59 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 -1.25 1.91 0.00 -0.67 2.36 -1.26 -4.80 119.74 116.03 2bpn s LYS 57 Ca 0.00 -2.59 0.00 0.00 -2.55 0.00 0.00 55.97 50.83 2bpn s LYS 57 Cb 0.00 -3.16 0.00 0.00 -1.05 0.00 0.00 37.83 33.62 2bpn s LYS 57 CO 0.00 -1.14 0.00 1.63 1.55 0.00 0.00 175.35 177.39 2bpn n LYS 58 N 3.07 0.00 -1.49 4.03 5.02 -1.26 -5.12 118.16 122.40 2bpn n LYS 58 Ca 0.07 0.00 -0.58 0.00 -2.02 0.00 0.00 58.31 55.78 2bpn n LYS 58 Cb 0.33 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.26 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 -0.06 0.00 4.39 2.03 -1.26 -4.83 116.55 116.82 2bpn n ASP 59 Ca 0.00 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.47 2bpn n ASP 59 Cb 0.00 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 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 1.49 0.35 -0.59 -0.67 5.02 -1.26 -4.70 118.16 117.80 2bpn n LYS 60 Ca 0.20 -0.69 -0.30 0.00 -2.02 0.00 0.00 58.31 55.50 2bpn n LYS 60 Cb 0.10 -0.87 0.27 0.00 -0.02 0.00 0.00 35.03 34.52 2bpn n LYS 60 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2bpn s SER 61 N -0.27 -0.50 0.30 4.39 0.15 -1.26 -4.74 113.70 111.78 2bpn s SER 61 Ca 0.00 0.77 0.22 0.00 0.70 0.00 0.00 55.95 57.64 2bpn s SER 61 Cb 0.00 -1.08 1.12 0.00 -1.71 0.00 0.00 66.02 64.34 2bpn s SER 61 CO 0.00 -5.01 1.66 0.00 1.20 0.00 0.00 173.24 171.09 2bpn n ALA 62 N -5.38 1.17 0.02 5.45 0.00 -1.26 -0.77 120.51 119.74 2bpn n ALA 62 Ca 0.13 0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.66 2bpn n ALA 62 Cb 0.60 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 18.80 2bpn n ALA 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2bpn h LYS 63 N 0.00 0.50 -6.01 0.00 1.57 -1.90 -3.45 116.57 107.28 2bpn h LYS 63 Ca 0.00 -0.30 -0.85 0.00 -1.87 0.00 0.00 60.65 57.63 2bpn h LYS 63 Cb 0.08 0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.43 2bpn h LYS 63 CO 0.00 0.90 0.58 0.41 -0.57 0.00 0.00 179.45 180.77 2bpn n GLY 64 N 0.17 0.15 0.15 3.86 0.00 0.05 -3.25 105.19 106.32 2bpn n GLY 64 Ca -0.03 0.96 -0.22 0.00 0.00 0.00 0.00 46.02 46.73 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 4.76 0.87 -0.00 1.61 3.20 -1.68 -3.04 116.97 122.68 2bpn h TYR 65 Ca -0.45 -0.58 0.00 0.00 3.14 0.00 0.00 58.73 60.84 2bpn h TYR 65 Cb 1.38 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.59 2bpn h TYR 65 CO 0.64 1.43 -0.16 0.98 -1.64 0.00 0.00 178.16 179.41 2bpn n TYR 66 N -3.89 0.00 0.93 -3.82 4.19 -1.26 -3.19 117.16 110.11 2bpn n TYR 66 Ca -0.14 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.18 2bpn n TYR 66 Cb 0.95 -0.19 0.09 0.00 0.49 0.00 0.00 39.34 40.68 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 -0.96 0.04 -0.69 2.98 -0.00 -1.22 -3.52 115.22 111.85 2bpn n HIS 67 Ca 0.13 0.01 0.08 0.00 0.46 0.00 0.00 57.72 58.40 2bpn n HIS 67 Cb 0.30 -0.20 0.29 0.00 -0.12 0.00 0.00 29.99 30.27 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 -1.58 1.94 -2.40 3.57 0.24 -1.15 -3.93 118.33 115.02 2bpn n VAL 68 Ca 0.04 -1.41 -0.03 0.00 -2.04 0.00 0.00 64.34 60.91 2bpn n VAL 68 Cb 0.35 0.03 0.02 0.00 -1.47 0.00 0.00 33.84 32.77 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 0.42 0.67 0.15 7.34 -0.00 -1.25 -4.76 117.12 119.70 2bpn n MET 69 Ca 0.22 -1.54 0.00 0.00 -0.00 0.00 0.00 57.70 56.38 2bpn n MET 69 Cb 0.84 0.13 0.00 0.00 -0.00 0.00 0.00 33.22 34.20 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 -0.52 -3.63 -0.55 3.17 -0.00 -1.23 -4.04 115.22 108.43 2bpn n HIS 70 Ca -0.15 0.97 -0.30 0.00 -0.00 0.00 0.00 57.72 58.23 2bpn n HIS 70 Cb 0.84 2.50 0.22 0.00 -0.00 0.00 0.00 29.99 33.55 2bpn n HIS 70 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2bpn n ASP 71 N -3.14 -2.29 0.00 0.41 9.92 -1.25 -3.55 116.55 116.64 2bpn n ASP 71 Ca 0.00 -0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.04 2bpn n ASP 71 Cb 0.00 -1.07 0.00 0.00 -0.64 0.00 0.00 41.12 39.41 2bpn n ASP 71 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2bpn n LYS 72 N -3.51 0.00 -0.15 -1.24 2.85 -1.26 -4.16 118.16 110.69 2bpn n LYS 72 Ca 0.02 0.00 0.28 0.00 -1.05 0.00 0.00 58.31 57.56 2bpn n LYS 72 Cb 0.58 -0.61 0.61 0.00 -0.65 0.00 0.00 35.03 34.96 2bpn n LYS 72 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2bpn h ASN 73 N 0.00 0.00 -1.84 -5.58 2.35 -1.94 -3.42 115.58 105.15 2bpn h ASN 73 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 2bpn h ASN 73 Cb 0.65 0.00 0.24 0.00 0.05 0.00 0.00 38.32 39.27 2bpn h ASN 73 CO 0.00 0.00 -2.00 0.35 -1.65 0.00 0.00 177.43 174.13 2bpn n THR 74 N -3.54 0.00 -0.17 2.81 -2.24 -1.26 -4.81 114.28 105.08 2bpn n THR 74 Ca 0.19 -0.36 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 2bpn n THR 74 Cb 1.21 -0.05 0.21 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.05 0.91 -6.02 -0.78 1.63 -1.98 -3.43 116.57 105.84 2bpn h LYS 75 Ca -0.43 -0.13 -0.57 0.00 -0.85 0.00 0.00 60.65 58.67 2bpn h LYS 75 Cb 1.32 -0.16 -0.10 0.00 -0.60 0.00 0.00 32.23 32.69 2bpn h LYS 75 CO 0.23 0.72 -0.58 -0.06 -3.45 0.00 0.00 179.45 176.32 2bpn s PHE 76 N -5.47 2.60 0.71 1.91 0.08 -1.26 -5.12 117.98 111.43 2bpn s PHE 76 Ca -0.10 -0.44 -0.12 0.00 0.12 0.00 0.00 56.93 56.38 2bpn s PHE 76 Cb 0.16 -1.60 0.02 0.00 -0.57 0.00 0.00 43.02 41.04 2bpn s PHE 76 CO 0.79 0.40 1.09 0.15 -0.10 0.00 0.00 175.22 177.55 2bpn s LYS 77 N -3.78 2.62 0.00 0.44 1.02 -1.26 -4.85 119.74 113.93 2bpn s LYS 77 Ca 0.36 1.20 0.00 0.00 0.02 0.00 0.00 55.97 57.55 2bpn s LYS 77 Cb -0.00 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 2bpn s LYS 77 CO 0.21 -1.37 0.00 -1.13 -0.92 0.00 0.00 175.35 172.14 2bpn n SER 78 N -3.02 0.00 -0.08 2.83 3.41 -1.26 -4.91 113.62 110.59 2bpn n SER 78 Ca 0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.59 2bpn n SER 78 Cb 0.53 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 2bpn n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bpn h VAL 80 N 0.00 1.37 0.00 0.00 2.07 -1.74 -3.21 116.25 114.74 2bpn h VAL 80 Ca -0.40 -3.01 0.00 0.00 0.82 0.00 0.00 66.70 64.11 2bpn h VAL 80 Cb 1.69 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 34.30 2bpn h VAL 80 CO -0.04 0.86 0.00 0.61 0.02 0.00 0.00 177.57 179.02 2bpn n GLY 81 N 1.55 -2.68 0.30 2.17 0.00 -1.23 0.11 105.19 105.41 2bpn n GLY 81 Ca -0.10 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 0.06 0.72 -0.21 0.00 3.86 -1.48 0.17 115.15 118.28 2bpn h HIS 83 Ca 0.47 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.55 2bpn h HIS 83 Cb 0.85 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 2bpn h HIS 83 CO -0.49 0.38 -0.47 0.28 0.86 0.00 0.00 177.93 178.48 2bpn h VAL 84 N 0.71 1.31 0.00 2.45 2.07 1.00 1.88 116.25 125.67 2bpn h VAL 84 Ca 0.31 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2bpn h VAL 84 Cb 0.30 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2bpn h VAL 84 CO -0.10 0.52 0.00 -0.62 0.02 0.00 0.00 177.57 177.39 2bpn n GLU 85 N -3.99 0.06 -0.07 1.57 1.02 0.52 -3.69 120.64 116.06 2bpn n GLU 85 Ca -0.02 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 2bpn n GLU 85 Cb 0.56 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.36 2bpn n GLU 85 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2bpn n VAL 86 N -1.69 1.35 -1.07 2.62 0.31 0.41 -4.60 118.33 115.65 2bpn n VAL 86 Ca 0.06 0.05 -0.25 0.00 -0.01 0.00 0.00 64.34 64.19 2bpn n VAL 86 Cb 0.34 -2.05 -0.08 0.00 -0.91 0.00 0.00 33.84 31.13 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 -4.15 6.53 -1.77 3.52 0.00 0.63 -3.95 120.51 121.32 2bpn n ALA 87 Ca -0.21 -2.56 0.05 0.00 0.00 0.00 0.00 53.44 50.73 2bpn n ALA 87 Cb 0.52 -2.88 0.11 0.00 0.00 0.00 0.00 19.45 17.19 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 3.17 3.15 0.03 0.00 0.00 -1.24 -4.46 105.19 105.83 2bpn n GLY 88 Ca 0.58 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.58 1.88 -2.57 4.61 0.00 -1.25 -5.03 120.51 117.56 2bpn n ALA 89 Ca 0.11 -0.30 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 2bpn n ALA 89 Cb 0.79 0.21 -0.13 0.00 0.00 0.00 0.00 19.45 20.33 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 -3.88 2.27 -0.20 0.00 2.15 -1.26 -5.02 116.67 110.72 2bpn s ASP 90 Ca -0.04 -0.62 0.06 0.00 0.43 0.00 0.00 52.55 52.38 2bpn s ASP 90 Cb 0.02 -0.13 0.47 0.00 -0.30 0.00 0.00 42.92 42.97 2bpn s ASP 90 CO 0.18 0.05 1.40 0.00 -0.17 0.00 0.00 175.17 176.62 2bpn n ALA 91 N 1.33 3.82 -0.01 3.66 0.00 -1.26 -3.78 120.51 124.27 2bpn n ALA 91 Ca -0.19 -1.44 -0.02 0.00 0.00 0.00 0.00 53.44 51.79 2bpn n ALA 91 Cb 0.54 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.00 1.46 0.17 0.00 0.00 -1.26 -4.59 120.51 116.29 2bpn n ALA 92 Ca 0.26 -0.26 0.17 0.00 0.00 0.00 0.00 53.44 53.61 2bpn n ALA 92 Cb 1.01 0.04 0.79 0.00 0.00 0.00 0.00 19.45 21.29 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 -0.21 0.00 0.00 0.00 1.63 -1.94 0.35 116.57 116.40 2bpn h LYS 93 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2bpn h LYS 93 Cb 0.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2bpn h LYS 93 CO 0.00 0.00 0.18 1.57 -3.45 0.00 0.00 179.45 177.75 2bpn h LYS 94 N 0.00 0.00 -0.50 1.90 5.09 -1.78 1.78 116.57 123.06 2bpn h LYS 94 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.85 2bpn h LYS 94 Cb 0.58 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.91 2bpn h LYS 94 CO -0.00 0.00 0.00 1.63 -2.09 0.00 0.00 179.45 178.99 2bpn n LYS 95 N -2.63 3.80 0.00 0.07 5.02 0.12 -2.61 118.16 121.93 2bpn n LYS 95 Ca -0.02 -2.89 0.00 0.00 -2.02 0.00 0.00 58.31 53.39 2bpn n LYS 95 Cb 0.23 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 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 0.49 0.95 0.03 4.39 8.00 0.54 -4.21 116.55 126.74 2bpn n ASP 96 Ca 0.24 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.55 2bpn n ASP 96 Cb 0.94 0.00 -0.14 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 0.38 -1.80 0.64 3.38 0.18 -2.77 115.31 115.32 2bpn h LEU 97 Ca 0.00 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.02 2bpn h LEU 97 Cb 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2bpn h LEU 97 CO 0.00 1.31 0.00 0.35 0.09 0.00 0.00 178.44 180.19 2bpn n THR 98 N -4.22 0.19 -1.75 0.22 -2.24 -1.21 -4.89 114.28 100.37 2bpn n THR 98 Ca -0.13 -0.59 -0.36 0.00 -2.27 0.00 0.00 64.05 60.70 2bpn n THR 98 Cb 0.75 1.15 0.06 0.00 -2.10 0.00 0.00 70.33 70.19 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 -1.16 2.72 -0.22 3.38 0.00 -1.07 -4.91 107.32 106.07 2bpn s GLY 99 Ca 0.19 1.09 -0.15 0.00 0.00 0.00 0.00 44.72 45.86 2bpn s GLY 99 CO 0.18 1.51 0.06 0.00 0.00 0.00 0.00 173.10 174.85 2bpn s LYS 101 N -2.45 3.01 0.00 0.00 0.00 -1.26 -4.35 119.74 114.69 2bpn s LYS 101 Ca -0.31 -0.58 0.00 0.00 0.00 0.00 0.00 55.97 55.08 2bpn s LYS 101 Cb 0.09 -2.64 0.00 0.00 0.00 0.00 0.00 37.83 35.28 2bpn s LYS 101 CO 0.60 0.50 0.00 1.17 0.00 0.00 0.00 175.35 177.62 2bpn n LYS 102 N 2.70 0.00 -1.93 1.78 4.81 -1.05 -4.93 118.16 119.54 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 -2.06 0.03 0.00 0.02 0.00 0.00 35.03 33.54 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 -3.29 5.37 0.23 3.14 0.15 -1.11 -4.69 113.70 113.51 2bpn s SER 103 Ca 0.00 2.01 -0.07 0.00 0.70 0.00 0.00 55.95 58.59 2bpn s SER 103 Cb 0.00 -2.56 0.28 0.00 -1.71 0.00 0.00 66.02 62.04 2bpn s SER 103 CO 0.00 -1.45 1.86 0.11 1.20 0.00 0.00 173.24 174.96 2bpn h LYS 104 N 0.39 0.97 0.56 5.44 6.56 -1.82 1.51 116.57 130.18 2bpn h LYS 104 Ca -0.48 -0.06 -0.03 0.00 -1.06 0.00 0.00 60.65 59.03 2bpn h LYS 104 Cb 1.25 -0.22 0.01 0.00 -0.57 0.00 0.00 32.23 32.69 2bpn h LYS 104 CO 0.55 0.64 -0.27 0.00 -2.06 0.00 0.00 179.45 178.31 2bpn n HIS 106 N -5.29 2.92 1.42 0.00 8.25 -1.07 -4.53 115.22 116.93 2bpn n HIS 106 Ca -0.10 -3.01 0.14 0.00 -0.26 0.00 0.00 57.72 54.49 2bpn n HIS 106 Cb 0.31 -1.01 0.46 0.00 1.12 0.00 0.00 29.99 30.87 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07