#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpn n PRO 2 N 0.00 1.15 -4.20 0.00 -0.04 -1.26 -5.10 135.00 125.56 2bpn n PRO 2 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2bpn n PRO 2 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 2bpn n PRO 2 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2bpn s LYS 3 N -0.06 2.42 -0.15 0.54 1.02 -1.26 -5.04 119.74 117.21 2bpn s LYS 3 Ca 0.00 -1.10 -0.41 0.00 0.02 0.00 0.00 55.97 54.48 2bpn s LYS 3 Cb 0.00 -2.37 -0.20 0.00 -0.52 0.00 0.00 37.83 34.75 2bpn s LYS 3 CO 0.00 0.46 1.20 0.00 -0.92 0.00 0.00 175.35 176.09 2bpn n ALA 4 N -0.12 -2.92 -1.62 5.17 0.00 -1.26 -4.91 120.51 114.84 2bpn n ALA 4 Ca -0.10 0.56 -0.30 0.00 0.00 0.00 0.00 53.44 53.60 2bpn n ALA 4 Cb 0.55 -1.77 0.20 0.00 0.00 0.00 0.00 19.45 18.43 2bpn n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bpn s PRO 5 N 0.88 -0.01 0.18 0.00 0.04 -1.26 -5.04 135.00 129.79 2bpn s PRO 5 Ca 0.93 -0.27 -0.16 0.00 0.04 0.00 0.00 61.00 61.54 2bpn s PRO 5 Cb -1.31 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 31.40 2bpn s PRO 5 CO 0.63 -2.87 0.61 0.00 0.04 0.00 0.00 177.00 175.41 2bpn s ALA 6 N -3.56 3.51 1.04 8.56 0.00 -1.26 -4.93 121.76 125.12 2bpn s ALA 6 Ca 0.73 -0.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.42 2bpn s ALA 6 Cb -0.06 -2.62 -0.07 0.00 0.00 0.00 0.00 23.12 20.37 2bpn s ALA 6 CO 0.54 0.41 -0.79 -0.25 0.00 0.00 0.00 175.76 175.67 2bpn n ASP 7 N 0.66 -3.01 0.00 0.00 9.92 -1.26 -4.59 116.55 118.27 2bpn n ASP 7 Ca -0.04 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 2bpn n ASP 7 Cb 0.52 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 2bpn n ASP 7 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bpn n GLY 8 N 2.83 1.82 3.64 0.44 0.00 -1.26 -5.08 105.19 107.58 2bpn n GLY 8 Ca -0.01 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 3.80 -0.01 0.99 0.05 -1.26 -5.09 118.68 117.17 2bpn s LEU 9 Ca 0.00 0.09 0.00 0.00 0.05 0.00 0.00 54.13 54.27 2bpn s LEU 9 Cb 0.00 -1.95 0.01 0.00 -2.05 0.00 0.00 46.19 42.20 2bpn s LEU 9 CO 0.00 0.19 0.01 -0.54 -0.55 0.00 0.00 176.35 175.46 2bpn s LYS 10 N 0.25 0.01 -0.31 1.48 3.01 -1.26 -2.04 119.74 120.89 2bpn s LYS 10 Ca 0.04 0.04 -0.09 0.00 -1.01 0.00 0.00 55.97 54.95 2bpn s LYS 10 Cb -0.12 -0.08 0.00 0.00 -1.01 0.00 0.00 37.83 36.62 2bpn s LYS 10 CO 0.00 -0.04 0.13 -1.64 0.51 0.00 0.00 175.35 174.31 2bpn s MET 11 N 0.27 3.21 -0.37 1.68 -1.94 0.95 -4.93 119.30 118.17 2bpn s MET 11 Ca -0.02 -0.79 0.13 0.00 -1.71 0.00 0.00 55.69 53.29 2bpn s MET 11 Cb -0.03 -3.50 0.38 0.00 2.01 0.00 0.00 34.83 33.70 2bpn s MET 11 CO -0.01 -0.44 0.90 -0.85 -0.01 0.00 0.00 175.02 174.61 2bpn n GLU 12 N 4.94 1.05 0.04 2.03 0.28 -1.26 0.14 120.64 127.85 2bpn n GLU 12 Ca -0.14 -3.02 -0.07 0.00 -0.16 0.00 0.00 57.16 53.77 2bpn n GLU 12 Cb 0.48 -1.33 -0.12 0.00 1.43 0.00 0.00 31.44 31.90 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 2.91 0.46 -3.00 -1.84 0.00 -1.93 -3.46 119.26 112.41 2bpn h ALA 13 Ca -0.02 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2bpn h ALA 13 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2bpn h ALA 13 CO 0.40 1.32 0.00 0.25 0.00 0.00 0.00 179.25 181.23 2bpn n THR 14 N -3.27 0.00 -0.07 0.00 -2.24 -1.26 -4.96 114.28 102.48 2bpn n THR 14 Ca -0.04 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2bpn n THR 14 Cb 0.96 -0.83 0.19 0.00 -2.10 0.00 0.00 70.33 68.55 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 2.76 -3.38 -0.78 5.02 -1.26 -4.64 118.16 115.89 2bpn n LYS 15 Ca 0.00 -1.69 -0.13 0.00 -2.02 0.00 0.00 58.31 54.46 2bpn n LYS 15 Cb 0.00 -1.85 -0.09 0.00 -0.02 0.00 0.00 35.03 33.07 2bpn n LYS 15 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2bpn s GLN 16 N -1.91 0.33 0.05 1.97 0.00 -1.26 -5.14 119.66 113.70 2bpn s GLN 16 Ca 0.30 0.15 -0.29 0.00 -0.00 0.00 0.00 55.36 55.51 2bpn s GLN 16 Cb 0.23 -0.62 -0.04 0.00 0.00 0.00 0.00 33.01 32.58 2bpn s GLN 16 CO 0.08 -0.87 0.94 -1.25 0.00 0.00 0.00 175.29 174.19 2bpn s PRO 17 N 2.44 4.61 -0.06 9.60 0.04 -1.26 -4.58 135.00 145.80 2bpn s PRO 17 Ca 0.10 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 2bpn s PRO 17 Cb -0.14 -3.41 0.03 0.00 0.04 0.00 0.00 34.50 31.01 2bpn s PRO 17 CO -0.25 0.10 0.02 0.08 0.04 0.00 0.00 177.00 176.99 2bpn s VAL 18 N 0.46 0.20 0.29 -0.36 1.01 0.36 -4.77 120.40 117.60 2bpn s VAL 18 Ca 0.48 0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 2bpn s VAL 18 Cb -0.22 -0.39 -0.08 0.00 0.00 0.00 0.00 36.38 35.69 2bpn s VAL 18 CO 0.28 0.23 0.67 0.54 0.00 0.00 0.00 175.10 176.82 2bpn s VAL 19 N 2.00 4.77 -0.25 2.92 0.11 -1.26 -0.04 120.40 128.65 2bpn s VAL 19 Ca 0.04 0.78 -0.05 0.00 -2.93 0.00 0.00 61.98 59.82 2bpn s VAL 19 Cb -0.12 -3.62 0.13 0.00 -1.53 0.00 0.00 36.38 31.24 2bpn s VAL 19 CO -0.04 -0.14 0.49 0.12 -3.33 0.00 0.00 175.10 172.20 2bpn s PHE 20 N -1.91 -1.08 -0.17 1.54 2.19 -0.86 -4.92 117.98 112.77 2bpn s PHE 20 Ca 0.51 1.56 -0.11 0.00 0.33 0.00 0.00 56.93 59.22 2bpn s PHE 20 Cb -0.11 0.39 -0.05 0.00 -1.31 0.00 0.00 43.02 41.95 2bpn s PHE 20 CO 0.19 -0.66 0.20 -0.80 1.83 0.00 0.00 175.22 175.98 2bpn s ASN 21 N 2.71 6.34 0.62 6.13 -0.87 -1.26 -4.35 114.94 124.25 2bpn s ASN 21 Ca 0.05 0.39 0.36 0.00 -1.57 0.00 0.00 52.86 52.09 2bpn s ASN 21 Cb -0.13 -2.13 2.06 0.00 -0.02 0.00 0.00 41.25 41.03 2bpn s ASN 21 CO -0.16 0.19 2.29 0.45 -2.57 0.00 0.00 177.10 177.29 2bpn h HIS 22 N 6.36 0.00 -0.42 2.20 3.86 -1.92 -0.36 115.15 124.88 2bpn h HIS 22 Ca -0.43 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.70 2bpn h HIS 22 Cb 1.17 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.62 2bpn h HIS 22 CO 0.62 0.00 -0.05 0.66 0.86 0.00 0.00 177.93 180.02 2bpn h SER 23 N 0.00 0.68 0.05 2.45 4.64 -1.94 0.37 113.55 119.80 2bpn h SER 23 Ca 0.01 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2bpn h SER 23 Cb 0.05 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2bpn h SER 23 CO -0.00 0.78 -0.01 0.35 -0.87 0.00 0.00 176.83 177.08 2bpn n THR 24 N -4.21 0.00 -2.69 2.95 -2.24 -0.16 -3.76 114.28 104.19 2bpn n THR 24 Ca 0.02 -0.09 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 2bpn n THR 24 Cb 0.31 -0.11 0.06 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.60 0.05 0.59 4.78 8.25 -0.44 -4.86 115.22 122.98 2bpn n HIS 25 Ca 0.21 -2.46 0.09 0.00 -0.26 0.00 0.00 57.72 55.30 2bpn n HIS 25 Cb 0.22 0.24 0.10 0.00 1.12 0.00 0.00 29.99 31.68 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 1.72 -0.86 -0.41 2.85 0.12 -4.25 118.16 117.02 2bpn n LYS 26 Ca 0.05 -1.71 -0.07 0.00 -1.05 0.00 0.00 58.31 55.53 2bpn n LYS 26 Cb 0.83 -1.36 0.21 0.00 -0.65 0.00 0.00 35.03 34.06 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 1.04 3.07 -3.96 -5.58 2.88 -1.26 -4.94 113.62 104.87 2bpn n SER 27 Ca 0.12 -3.61 -0.17 0.00 -1.33 0.00 0.00 58.87 53.88 2bpn n SER 27 Cb 0.47 -0.67 -0.15 0.00 -0.75 0.00 0.00 64.21 63.11 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 -3.19 0.46 0.17 2.46 1.01 -1.26 -5.11 120.40 114.94 2bpn s VAL 28 Ca 0.48 -0.23 -0.34 0.00 0.00 0.00 0.00 61.98 61.89 2bpn s VAL 28 Cb 0.42 -0.40 -0.14 0.00 0.00 0.00 0.00 36.38 36.26 2bpn s VAL 28 CO 0.04 0.14 1.58 1.17 0.00 0.00 0.00 175.10 178.03 2bpn n LYS 29 N 3.06 2.17 0.12 2.72 3.00 -1.26 -4.80 118.16 123.17 2bpn n LYS 29 Ca -0.14 0.78 0.19 0.00 -0.00 0.00 0.00 58.31 59.14 2bpn n LYS 29 Cb 0.57 -2.55 0.76 0.00 0.00 0.00 0.00 35.03 33.81 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 -1.49 -0.78 0.11 0.00 0.00 -1.26 0.11 105.19 101.88 2bpn n GLY 31 Ca 0.05 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 0.43 0.00 1.61 1.82 0.95 -3.34 116.42 117.88 2bpn h ASP 32 Ca 0.00 -0.54 -0.33 0.00 -0.39 0.00 0.00 57.03 55.77 2bpn h ASP 32 Cb 0.10 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 39.91 2bpn h ASP 32 CO 0.00 1.44 -2.17 0.00 -1.61 0.00 0.00 179.24 176.90 2bpn n HIS 34 N -3.48 4.48 -1.82 0.00 8.25 0.30 -5.03 115.22 117.93 2bpn n HIS 34 Ca -0.39 -3.43 -0.33 0.00 -0.26 0.00 0.00 57.72 53.31 2bpn n HIS 34 Cb 0.85 -1.80 0.04 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 -0.55 2.68 -0.16 4.41 -3.43 -1.25 -4.08 115.29 112.89 2bpn s HIS 35 Ca 0.35 1.54 -0.29 0.00 -0.80 0.00 0.00 55.06 55.86 2bpn s HIS 35 Cb -0.04 -3.15 -0.01 0.00 -1.43 0.00 0.00 32.58 27.95 2bpn s HIS 35 CO -0.02 -1.60 1.25 -1.25 -2.00 0.00 0.00 174.74 171.12 2bpn s PRO 36 N -4.06 4.24 0.06 -0.38 0.04 -1.26 -3.27 135.00 130.36 2bpn s PRO 36 Ca 0.67 1.65 0.09 0.00 0.04 0.00 0.00 61.00 63.45 2bpn s PRO 36 Cb -0.20 -3.75 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 2bpn s PRO 36 CO 0.40 -0.70 -0.25 0.08 0.04 0.00 0.00 177.00 176.58 2bpn s VAL 37 N 3.45 2.31 -0.77 -0.36 1.01 -1.22 -4.59 120.40 120.24 2bpn s VAL 37 Ca 0.54 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2bpn s VAL 37 Cb -0.22 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.23 2bpn s VAL 37 CO 0.15 0.31 0.00 0.59 0.00 0.00 0.00 175.10 176.15 2bpn n ASN 38 N 1.58 -2.50 -2.64 3.32 5.03 -1.26 -0.66 115.26 118.14 2bpn n ASN 38 Ca -0.17 0.25 -0.10 0.00 0.87 0.00 0.00 54.58 55.44 2bpn n ASN 38 Cb 0.52 -2.34 0.04 0.00 -1.02 0.00 0.00 39.78 36.99 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 -0.42 -0.45 0.00 7.41 0.00 -1.26 -5.03 105.19 105.44 2bpn n GLY 39 Ca -0.09 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.61 0.00 -1.27 1.61 4.81 0.17 -5.12 118.16 115.75 2bpn n LYS 40 Ca -0.04 0.00 -0.50 0.00 -0.87 0.00 0.00 58.31 56.90 2bpn n LYS 40 Cb 0.58 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.56 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 -4.70 1.64 1.02 -1.26 -3.37 120.64 113.97 2bpn n GLU 41 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2bpn n GLU 41 Cb 0.00 -1.14 -0.13 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.52 4.28 -0.10 1.62 1.11 -1.20 -4.88 116.67 119.01 2bpn s ASP 42 Ca 0.77 -0.21 0.15 0.00 0.18 0.00 0.00 52.55 53.43 2bpn s ASP 42 Cb -1.09 -1.43 0.23 0.00 1.07 0.00 0.00 42.92 41.71 2bpn s ASP 42 CO 0.56 0.23 1.12 -1.22 1.18 0.00 0.00 175.17 177.04 2bpn n TYR 43 N 3.08 0.00 -2.26 4.23 4.02 -1.26 -4.42 117.16 120.55 2bpn n TYR 43 Ca -0.18 -0.80 -0.25 0.00 -0.01 0.00 0.00 57.90 56.66 2bpn n TYR 43 Cb 0.53 -0.13 0.07 0.00 -0.02 0.00 0.00 39.34 39.78 2bpn n TYR 43 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2bpn s ARG 44 N -2.24 2.19 -0.49 -0.72 0.52 -1.26 -4.92 118.95 112.03 2bpn s ARG 44 Ca 0.25 -0.35 -0.47 0.00 -0.52 0.00 0.00 55.73 54.65 2bpn s ARG 44 Cb 0.22 -2.21 -0.20 0.00 0.52 0.00 0.00 34.95 33.29 2bpn s ARG 44 CO 0.02 -1.20 1.63 1.63 0.02 0.00 0.00 175.30 177.39 2bpn n LYS 45 N -2.86 0.04 -0.34 3.54 5.02 -1.26 -4.70 118.16 117.60 2bpn n LYS 45 Ca 0.08 0.02 0.31 0.00 -2.02 0.00 0.00 58.31 56.70 2bpn n LYS 45 Cb 0.60 -1.52 0.57 0.00 -0.02 0.00 0.00 35.03 34.66 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 -1.29 1.60 1.44 0.00 0.00 -1.26 -3.87 105.19 101.80 2bpn n GLY 47 Ca 0.37 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.11 -2.22 2.61 -1.04 -1.21 -3.30 114.28 107.01 2bpn n THR 48 Ca 0.00 1.08 -0.43 0.00 -2.04 0.00 0.00 64.05 62.67 2bpn n THR 48 Cb 0.00 -1.80 -0.02 0.00 -1.82 0.00 0.00 70.33 66.69 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 -5.05 3.64 0.00 2.41 0.00 -1.26 -2.56 121.76 118.94 2bpn s ALA 49 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2bpn s ALA 49 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2bpn s ALA 49 CO 0.00 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 174.91 2bpn n GLY 50 N 3.85 1.74 0.00 0.00 0.00 -1.26 -5.06 105.19 104.46 2bpn n GLY 50 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 3.61 1.25 -0.26 0.00 3.76 -1.21 -4.57 115.29 117.87 2bpn s HIS 52 Ca 0.00 1.85 0.16 0.00 -0.15 0.00 0.00 55.06 56.91 2bpn s HIS 52 Cb 0.00 -3.50 -0.22 0.00 1.11 0.00 0.00 32.58 29.96 2bpn s HIS 52 CO 0.00 -1.42 0.45 -0.40 -0.85 0.00 0.00 174.74 172.52 2bpn n ASP 53 N 18.19 1.14 -4.68 1.40 5.68 -1.22 -4.16 116.55 132.89 2bpn n ASP 53 Ca 0.45 -0.29 -0.42 0.00 -0.50 0.00 0.00 54.79 54.03 2bpn n ASP 53 Cb 0.44 1.49 -0.03 0.00 -1.14 0.00 0.00 41.12 41.88 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 -3.38 6.52 -0.38 -1.12 0.15 -1.19 -4.89 113.70 109.41 2bpn s SER 54 Ca -0.02 2.59 0.11 0.00 0.70 0.00 0.00 55.95 59.32 2bpn s SER 54 Cb 0.11 -2.55 0.32 0.00 -1.71 0.00 0.00 66.02 62.19 2bpn s SER 54 CO 0.66 -0.96 0.69 0.23 1.20 0.00 0.00 173.24 175.05 2bpn n MET 55 N 6.14 0.90 -1.37 5.44 2.81 -1.26 -0.56 117.12 129.23 2bpn n MET 55 Ca 0.17 -3.29 0.00 0.00 -1.81 0.00 0.00 57.70 52.78 2bpn n MET 55 Cb 0.40 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.58 0.97 -3.84 7.83 -0.08 -1.26 -5.10 116.55 115.65 2bpn n ASP 56 Ca 0.23 -0.68 -0.30 0.00 -1.51 0.00 0.00 54.79 52.53 2bpn n ASP 56 Cb 0.63 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.95 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 -1.05 1.70 0.00 -0.67 2.36 -1.26 -4.82 119.74 115.99 2bpn s LYS 57 Ca 0.00 -2.40 0.00 0.00 -2.55 0.00 0.00 55.97 51.02 2bpn s LYS 57 Cb 0.00 -2.88 0.00 0.00 -1.05 0.00 0.00 37.83 33.90 2bpn s LYS 57 CO 0.00 -1.15 0.00 1.63 1.55 0.00 0.00 175.35 177.38 2bpn n LYS 58 N 3.21 0.00 -1.59 4.03 5.02 -1.26 -5.12 118.16 122.45 2bpn n LYS 58 Ca 0.08 0.00 -0.52 0.00 -2.02 0.00 0.00 58.31 55.85 2bpn n LYS 58 Cb 0.33 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.29 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 1.70 -0.01 4.39 2.03 -1.26 -4.84 116.55 118.55 2bpn n ASP 59 Ca 0.00 1.12 0.02 0.00 0.52 0.00 0.00 54.79 56.44 2bpn n ASP 59 Cb 0.00 -1.20 0.02 0.00 -0.72 0.00 0.00 41.12 39.22 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 2.54 2.60 -0.48 -0.67 5.02 -1.26 -4.74 118.16 121.16 2bpn n LYS 60 Ca 0.18 -1.63 -0.29 0.00 -2.02 0.00 0.00 58.31 54.56 2bpn n LYS 60 Cb 0.20 -1.06 0.25 0.00 -0.02 0.00 0.00 35.03 34.41 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 -0.62 -1.84 0.08 4.39 2.88 -1.26 -4.71 113.62 112.54 2bpn n SER 61 Ca 0.02 -0.17 0.18 0.00 -1.33 0.00 0.00 58.87 57.57 2bpn n SER 61 Cb 0.32 -1.23 0.71 0.00 -0.75 0.00 0.00 64.21 63.26 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 -2.67 2.28 -0.20 -1.46 0.00 -1.97 0.48 119.26 115.71 2bpn h ALA 62 Ca -0.62 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 2bpn h ALA 62 Cb 1.34 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2bpn h ALA 62 CO 0.48 -0.48 -0.13 0.87 0.00 0.00 0.00 179.25 179.99 2bpn h LYS 63 N 0.00 0.33 -6.06 0.00 1.79 -1.91 -3.44 116.57 107.28 2bpn h LYS 63 Ca 0.18 -0.08 -0.75 0.00 -2.18 0.00 0.00 60.65 57.81 2bpn h LYS 63 Cb 0.76 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2bpn h LYS 63 CO -0.00 0.47 1.07 0.41 -1.08 0.00 0.00 179.45 180.32 2bpn n GLY 64 N -0.78 0.47 0.20 3.86 0.00 0.17 -3.17 105.19 105.94 2bpn n GLY 64 Ca -0.00 0.98 -0.13 0.00 0.00 0.00 0.00 46.02 46.87 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 8.38 0.77 -0.01 1.61 3.20 -1.10 -2.55 116.97 127.28 2bpn h TYR 65 Ca -0.34 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.31 2bpn h TYR 65 Cb 1.35 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.45 2bpn h TYR 65 CO 0.84 0.92 -0.02 0.98 -1.64 0.00 0.00 178.16 179.24 2bpn n TYR 66 N -4.34 0.00 0.86 -3.82 4.19 -1.26 -3.03 117.16 109.76 2bpn n TYR 66 Ca -0.04 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.28 2bpn n TYR 66 Cb 0.42 -0.04 -0.03 0.00 0.49 0.00 0.00 39.34 40.18 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 -0.58 0.04 -0.59 2.98 -0.00 -1.02 -3.56 115.22 112.49 2bpn n HIS 67 Ca 0.20 0.01 0.08 0.00 0.46 0.00 0.00 57.72 58.48 2bpn n HIS 67 Cb 0.23 -0.15 0.28 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 -1.63 1.71 -2.25 3.57 0.24 -0.99 -3.95 118.33 115.03 2bpn n VAL 68 Ca 0.03 -1.31 -0.02 0.00 -2.04 0.00 0.00 64.34 61.00 2bpn n VAL 68 Cb 0.37 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 0.55 0.14 0.00 7.34 -0.00 -1.25 -4.69 117.12 119.20 2bpn n MET 69 Ca 0.21 -1.47 0.00 0.00 -0.00 0.00 0.00 57.70 56.44 2bpn n MET 69 Cb 0.76 0.24 0.00 0.00 -0.00 0.00 0.00 33.22 34.22 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 0.07 -1.47 -1.30 3.17 -0.00 -1.23 -3.95 115.22 110.51 2bpn n HIS 70 Ca -0.14 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.20 2bpn n HIS 70 Cb 0.88 0.35 0.03 0.00 -0.00 0.00 0.00 29.99 31.25 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 -2.04 -2.46 -0.00 0.41 8.00 -1.25 -3.46 116.55 115.75 2bpn n ASP 71 Ca 0.00 0.63 0.04 0.00 0.71 0.00 0.00 54.79 56.18 2bpn n ASP 71 Cb 0.00 -1.03 -0.07 0.00 -0.02 0.00 0.00 41.12 40.01 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 0.59 1.24 -1.24 -1.24 0.00 -1.26 -4.46 118.16 111.79 2bpn n LYS 72 Ca 0.09 -0.06 -0.20 0.00 -0.00 0.00 0.00 58.31 58.14 2bpn n LYS 72 Cb 0.49 -1.14 -0.09 0.00 -0.00 0.00 0.00 35.03 34.29 2bpn n LYS 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2bpn n ASN 73 N -1.66 6.01 -4.62 -5.58 4.13 -1.26 -4.87 115.26 107.40 2bpn n ASN 73 Ca -0.01 -2.92 -0.25 0.00 1.68 0.00 0.00 54.58 53.08 2bpn n ASN 73 Cb 0.21 -1.28 -0.09 0.00 -1.54 0.00 0.00 39.78 37.09 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 -1.07 2.50 0.23 3.41 -4.23 -1.26 -5.03 115.64 110.19 2bpn s THR 74 Ca 0.57 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.01 2bpn s THR 74 Cb 0.34 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.59 2bpn s THR 74 CO -0.12 -0.18 1.87 0.50 -0.54 0.00 0.00 174.62 176.15 2bpn h LYS 75 N 1.82 1.24 -6.18 3.99 1.63 -1.98 -3.43 116.57 113.66 2bpn h LYS 75 Ca -0.43 -0.13 -0.57 0.00 -0.85 0.00 0.00 60.65 58.68 2bpn h LYS 75 Cb 1.25 -0.25 -0.10 0.00 -0.60 0.00 0.00 32.23 32.53 2bpn h LYS 75 CO 0.69 0.88 -0.65 -0.06 -3.45 0.00 0.00 179.45 176.86 2bpn s PHE 76 N -5.92 2.63 0.77 1.91 0.08 -1.26 -5.12 117.98 111.08 2bpn s PHE 76 Ca -0.13 -0.26 -0.12 0.00 0.12 0.00 0.00 56.93 56.54 2bpn s PHE 76 Cb 0.17 -1.22 0.06 0.00 -0.57 0.00 0.00 43.02 41.46 2bpn s PHE 76 CO 0.82 0.60 1.12 0.15 -0.10 0.00 0.00 175.22 177.82 2bpn s LYS 77 N -3.67 2.12 0.00 0.44 1.02 -1.26 -4.96 119.74 113.44 2bpn s LYS 77 Ca 0.32 1.37 0.00 0.00 0.02 0.00 0.00 55.97 57.68 2bpn s LYS 77 Cb -0.05 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 2bpn s LYS 77 CO 0.19 -1.77 0.00 -1.13 -0.92 0.00 0.00 175.35 171.72 2bpn n SER 78 N -3.30 0.00 -0.10 2.83 3.41 -1.26 -4.89 113.62 110.31 2bpn n SER 78 Ca 0.10 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.57 2bpn n SER 78 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.09 1.66 0.00 0.00 2.07 -1.73 -3.19 116.25 114.97 2bpn h VAL 80 Ca -0.45 -3.37 0.00 0.00 0.82 0.00 0.00 66.70 63.70 2bpn h VAL 80 Cb 1.65 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 2bpn h VAL 80 CO -0.10 0.95 0.00 0.61 0.02 0.00 0.00 177.57 179.05 2bpn n GLY 81 N 1.37 -2.64 0.31 2.17 0.00 -1.22 0.72 105.19 105.90 2bpn n GLY 81 Ca -0.01 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 0.05 0.87 -0.32 0.00 3.86 -1.50 0.17 115.15 118.28 2bpn h HIS 83 Ca 0.47 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.54 2bpn h HIS 83 Cb 0.86 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 2bpn h HIS 83 CO -0.51 0.42 -0.45 0.28 0.86 0.00 0.00 177.93 178.53 2bpn h VAL 84 N 0.82 1.28 0.00 2.45 2.07 0.86 0.67 116.25 124.40 2bpn h VAL 84 Ca 0.37 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.26 2bpn h VAL 84 Cb 0.36 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2bpn h VAL 84 CO -0.14 0.53 0.00 -0.62 0.02 0.00 0.00 177.57 177.36 2bpn n GLU 85 N -4.08 0.38 -0.07 1.57 -0.58 0.95 -3.61 120.64 115.21 2bpn n GLU 85 Ca -0.04 0.06 -0.11 0.00 -0.42 0.00 0.00 57.16 56.66 2bpn n GLU 85 Cb 0.58 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.91 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 -1.25 1.36 -1.73 2.62 0.31 0.43 -5.02 118.33 115.06 2bpn n VAL 86 Ca 0.12 0.08 -0.30 0.00 -0.01 0.00 0.00 64.34 64.23 2bpn n VAL 86 Cb 0.17 -2.06 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 s ALA 87 N -2.60 2.52 0.00 3.52 0.00 0.23 -4.68 121.76 120.75 2bpn s ALA 87 Ca -0.23 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2bpn s ALA 87 Cb 0.05 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2bpn s ALA 87 CO 0.33 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 174.98 2bpn n GLY 88 N -2.62 3.30 0.19 0.00 0.00 -1.26 -4.72 105.19 100.07 2bpn n GLY 88 Ca 0.07 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.71 2bpn n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn h ALA 89 N 0.00 0.89 -3.89 4.61 0.00 -1.97 -3.43 119.26 115.48 2bpn h ALA 89 Ca 0.00 -0.31 -0.67 0.00 0.00 0.00 0.00 54.91 53.93 2bpn h ALA 89 Cb 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 17.79 17.42 2bpn h ALA 89 CO 0.00 0.42 -0.88 0.34 0.00 0.00 0.00 179.25 179.14 2bpn s ASP 90 N -6.33 2.93 -0.01 0.00 -1.08 -1.26 -5.05 116.67 105.87 2bpn s ASP 90 Ca 0.02 -0.49 -0.12 0.00 -0.52 0.00 0.00 52.55 51.43 2bpn s ASP 90 Cb 0.09 -0.89 -0.07 0.00 -1.46 0.00 0.00 42.92 40.59 2bpn s ASP 90 CO 0.68 0.22 0.74 0.00 0.52 0.00 0.00 175.17 177.33 2bpn h ALA 91 N 6.20 -0.67 -0.85 3.66 0.00 -1.97 -1.29 119.26 124.35 2bpn h ALA 91 Ca -0.30 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.68 2bpn h ALA 91 Cb 1.19 0.17 -0.16 0.00 0.00 0.00 0.00 17.79 18.99 2bpn h ALA 91 CO 0.47 -0.64 -0.22 0.00 0.00 0.00 0.00 179.25 178.86 2bpn h ALA 92 N -1.54 0.53 -0.86 0.00 0.00 -1.96 1.88 119.26 117.31 2bpn h ALA 92 Ca -0.05 0.32 0.08 0.00 0.00 0.00 0.00 54.91 55.27 2bpn h ALA 92 Cb 0.34 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 2bpn h ALA 92 CO 0.07 -0.41 0.56 -0.22 0.00 0.00 0.00 179.25 179.25 2bpn h LYS 93 N -0.00 0.88 0.00 0.00 3.64 -1.98 0.97 116.57 120.08 2bpn h LYS 93 Ca 0.40 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2bpn h LYS 93 Cb 0.62 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2bpn h LYS 93 CO -0.87 0.58 0.00 0.36 -2.27 0.00 0.00 179.45 177.25 2bpn n LYS 94 N -4.50 0.70 -0.00 1.90 -0.00 0.61 -0.24 118.16 116.63 2bpn n LYS 94 Ca 0.13 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 2bpn n LYS 94 Cb 0.25 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.78 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 -1.07 -0.42 -0.02 -1.58 4.81 0.29 -3.71 118.16 116.47 2bpn n LYS 95 Ca 0.18 -0.67 -0.02 0.00 -0.87 0.00 0.00 58.31 56.93 2bpn n LYS 95 Cb 0.12 -1.02 -0.02 0.00 0.02 0.00 0.00 35.03 34.13 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 -0.01 4.12 -0.04 3.14 8.00 0.11 -3.53 116.55 128.34 2bpn n ASP 96 Ca 0.01 -0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2bpn n ASP 96 Cb 0.05 0.48 -0.13 0.00 -0.02 0.00 0.00 41.12 41.50 2bpn n ASP 96 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bpn n LEU 97 N -2.20 2.39 -0.62 0.64 4.77 0.67 -2.64 117.00 120.00 2bpn n LEU 97 Ca -0.06 0.27 0.07 0.00 -0.03 0.00 0.00 56.01 56.27 2bpn n LEU 97 Cb 0.60 -1.06 0.08 0.00 -2.33 0.00 0.00 43.42 40.72 2bpn n LEU 97 CO 0.06 0.67 0.51 0.35 -1.33 0.00 0.00 177.39 177.65 2bpn n THR 98 N -3.80 0.14 -0.84 -5.08 -2.24 -1.25 -4.87 114.28 96.33 2bpn n THR 98 Ca -0.33 -0.57 -0.33 0.00 -2.27 0.00 0.00 64.05 60.55 2bpn n THR 98 Cb 0.93 1.19 0.12 0.00 -2.10 0.00 0.00 70.33 70.47 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 0.83 -1.57 0.17 3.38 0.00 -1.23 -4.89 105.19 101.87 2bpn n GLY 99 Ca 0.09 -0.69 -0.16 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 -2.39 2.17 0.00 0.00 2.47 -1.26 -4.60 119.74 116.12 2bpn s LYS 101 Ca -0.27 -0.56 0.00 0.00 -1.56 0.00 0.00 55.97 53.58 2bpn s LYS 101 Cb 0.08 -1.78 0.00 0.00 -1.46 0.00 0.00 37.83 34.67 2bpn s LYS 101 CO 0.43 0.01 0.00 1.17 0.16 0.00 0.00 175.35 177.12 2bpn n LYS 102 N 3.95 0.00 -2.31 4.03 3.00 -0.89 -5.03 118.16 120.91 2bpn n LYS 102 Ca -0.20 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.82 2bpn n LYS 102 Cb 0.52 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 34.20 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 -2.25 6.23 0.28 3.14 0.15 -1.13 -4.78 113.70 115.35 2bpn s SER 103 Ca 0.00 1.13 -0.01 0.00 0.70 0.00 0.00 55.95 57.77 2bpn s SER 103 Cb 0.00 -2.33 0.46 0.00 -1.71 0.00 0.00 66.02 62.45 2bpn s SER 103 CO 0.00 -0.71 1.90 0.11 1.20 0.00 0.00 173.24 175.73 2bpn h LYS 104 N -0.01 1.08 0.27 5.44 6.56 -1.86 0.98 116.57 129.03 2bpn h LYS 104 Ca -0.46 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.05 2bpn h LYS 104 Cb 1.20 -0.24 0.00 0.00 -0.57 0.00 0.00 32.23 32.62 2bpn h LYS 104 CO 0.62 0.72 -0.13 0.00 -2.06 0.00 0.00 179.45 178.59 2bpn n HIS 106 N -3.82 2.70 1.42 0.00 8.25 -1.12 -4.56 115.22 118.10 2bpn n HIS 106 Ca -0.05 -2.62 0.14 0.00 -0.26 0.00 0.00 57.72 54.93 2bpn n HIS 106 Cb 0.14 -1.35 0.46 0.00 1.12 0.00 0.00 29.99 30.37 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07