#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 0.34 -0.35 0.00 -0.04 -1.26 -5.07 135.00 128.61 2bpn n PRO 2 Ca 0.00 0.04 0.03 0.00 -0.04 0.00 0.00 63.50 63.53 2bpn n PRO 2 Cb 0.00 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 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 -2.11 -0.84 -3.60 0.54 5.02 -1.26 -4.83 118.16 111.08 2bpn n LYS 3 Ca 0.02 0.68 -0.40 0.00 -2.02 0.00 0.00 58.31 56.59 2bpn n LYS 3 Cb 0.45 -0.94 -0.10 0.00 -0.02 0.00 0.00 35.03 34.42 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 -3.50 3.28 1.16 7.82 0.00 -1.26 -5.08 121.76 124.18 2bpn s ALA 4 Ca 0.00 -2.08 -0.17 0.00 0.00 0.00 0.00 51.96 49.72 2bpn s ALA 4 Cb 0.00 -2.64 0.24 0.00 0.00 0.00 0.00 23.12 20.73 2bpn s ALA 4 CO 0.00 -1.60 0.52 -2.30 0.00 0.00 0.00 175.76 172.38 2bpn n PRO 5 N 4.93 -3.10 -3.13 0.00 -0.02 -1.26 -4.94 135.00 127.48 2bpn n PRO 5 Ca -0.10 -0.92 -0.38 0.00 -2.02 0.00 0.00 63.50 60.08 2bpn n PRO 5 Cb 0.43 -1.64 -0.06 0.00 -0.02 0.00 0.00 33.50 32.22 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 -2.10 3.48 1.02 3.55 0.00 -1.26 -4.99 121.76 121.47 2bpn s ALA 6 Ca 0.47 0.17 -0.22 0.00 0.00 0.00 0.00 51.96 52.38 2bpn s ALA 6 Cb -0.09 -2.79 -0.10 0.00 0.00 0.00 0.00 23.12 20.14 2bpn s ALA 6 CO 0.42 0.35 -0.85 -0.25 0.00 0.00 0.00 175.76 175.43 2bpn n ASP 7 N 1.27 -3.61 0.00 0.00 8.00 -1.26 -4.64 116.55 116.31 2bpn n ASP 7 Ca -0.06 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2bpn n ASP 7 Cb 0.50 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 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 3.00 1.99 3.39 0.44 0.00 -1.26 -5.08 105.19 107.66 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 3.06 0.04 0.99 0.05 -1.26 -5.09 118.68 116.46 2bpn s LEU 9 Ca 0.00 -0.28 0.04 0.00 0.05 0.00 0.00 54.13 53.94 2bpn s LEU 9 Cb 0.00 -1.76 -0.02 0.00 -2.05 0.00 0.00 46.19 42.36 2bpn s LEU 9 CO 0.00 0.05 -0.12 -1.59 -0.55 0.00 0.00 176.35 174.14 2bpn s LYS 10 N 1.05 0.82 -0.29 1.48 0.00 -1.26 -1.81 119.74 119.73 2bpn s LYS 10 Ca 0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 55.97 55.23 2bpn s LYS 10 Cb -0.15 -0.79 0.03 0.00 0.00 0.00 0.00 37.83 36.92 2bpn s LYS 10 CO 0.01 0.19 0.03 -1.64 0.00 0.00 0.00 175.35 173.94 2bpn s MET 11 N -1.12 2.81 -0.35 1.78 -1.94 0.17 -4.95 119.30 115.70 2bpn s MET 11 Ca -0.00 -1.03 0.15 0.00 -1.71 0.00 0.00 55.69 53.10 2bpn s MET 11 Cb -0.08 -3.25 0.41 0.00 2.01 0.00 0.00 34.83 33.92 2bpn s MET 11 CO 0.01 -0.51 0.86 -0.85 -0.01 0.00 0.00 175.02 174.53 2bpn n GLU 12 N 4.76 1.06 0.12 2.03 0.28 -1.26 0.13 120.64 127.76 2bpn n GLU 12 Ca -0.14 -3.26 0.03 0.00 -0.16 0.00 0.00 57.16 53.63 2bpn n GLU 12 Cb 0.46 -1.43 0.01 0.00 1.43 0.00 0.00 31.44 31.92 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 2.98 0.68 -3.00 -1.84 0.00 -1.93 -3.46 119.26 112.69 2bpn h ALA 13 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2bpn h ALA 13 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2bpn h ALA 13 CO 0.48 0.62 0.00 0.25 0.00 0.00 0.00 179.25 180.60 2bpn n THR 14 N -3.14 0.00 0.53 0.00 -2.24 -1.26 -4.98 114.28 103.19 2bpn n THR 14 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2bpn n THR 14 Cb 0.74 -0.74 0.18 0.00 -2.10 0.00 0.00 70.33 68.41 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 2.26 -3.55 -0.78 5.02 -1.26 -4.51 118.16 115.33 2bpn n LYS 15 Ca 0.00 -1.46 -0.29 0.00 -2.02 0.00 0.00 58.31 54.54 2bpn n LYS 15 Cb 0.00 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.39 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 -1.63 0.88 0.12 1.97 0.00 -1.26 -5.11 119.66 114.63 2bpn s GLN 16 Ca 0.26 -1.67 -0.31 0.00 -0.00 0.00 0.00 55.36 53.64 2bpn s GLN 16 Cb 0.16 -1.72 -0.09 0.00 0.00 0.00 0.00 33.01 31.37 2bpn s GLN 16 CO 0.14 -1.21 1.46 -2.14 0.00 0.00 0.00 175.29 173.55 2bpn s PRO 17 N 0.68 4.28 -0.06 9.60 0.02 -1.26 -4.72 135.00 143.54 2bpn s PRO 17 Ca 0.19 2.18 -0.01 0.00 0.02 0.00 0.00 61.00 63.38 2bpn s PRO 17 Cb -0.21 -3.25 0.03 0.00 0.02 0.00 0.00 34.50 31.09 2bpn s PRO 17 CO -0.01 -0.51 0.02 0.08 -0.33 0.00 0.00 177.00 176.24 2bpn s VAL 18 N 1.25 0.24 0.33 3.83 1.01 0.35 -4.81 120.40 122.60 2bpn s VAL 18 Ca 0.67 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 2bpn s VAL 18 Cb -0.39 -0.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.50 2bpn s VAL 18 CO 0.30 0.23 0.68 0.54 0.00 0.00 0.00 175.10 176.86 2bpn s VAL 19 N 1.94 4.83 -0.25 2.92 0.11 -1.26 0.43 120.40 129.11 2bpn s VAL 19 Ca 0.04 0.59 -0.06 0.00 -2.93 0.00 0.00 61.98 59.61 2bpn s VAL 19 Cb -0.12 -3.68 0.12 0.00 -1.53 0.00 0.00 36.38 31.17 2bpn s VAL 19 CO -0.04 -0.31 0.50 0.12 -3.33 0.00 0.00 175.10 172.05 2bpn s PHE 20 N -2.11 -1.07 -0.16 1.54 2.19 -0.75 -4.90 117.98 112.72 2bpn s PHE 20 Ca 0.50 1.68 -0.08 0.00 0.33 0.00 0.00 56.93 59.36 2bpn s PHE 20 Cb -0.11 0.44 -0.04 0.00 -1.31 0.00 0.00 43.02 42.00 2bpn s PHE 20 CO 0.25 -0.63 0.12 -0.80 1.83 0.00 0.00 175.22 176.00 2bpn s ASN 21 N 2.72 6.18 0.59 6.13 0.02 -1.26 -4.23 114.94 125.08 2bpn s ASN 21 Ca 0.02 0.30 0.34 0.00 -1.02 0.00 0.00 52.86 52.51 2bpn s ASN 21 Cb -0.13 -2.05 1.82 0.00 0.02 0.00 0.00 41.25 40.91 2bpn s ASN 21 CO -0.16 0.27 2.19 0.45 0.02 0.00 0.00 177.10 179.87 2bpn h HIS 22 N 5.99 0.00 -0.24 2.20 3.86 -1.94 -1.37 115.15 123.65 2bpn h HIS 22 Ca -0.46 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.68 2bpn h HIS 22 Cb 1.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 2bpn h HIS 22 CO 0.65 0.04 -0.15 0.66 0.86 0.00 0.00 177.93 179.99 2bpn h SER 23 N 0.00 0.40 -0.01 2.45 4.64 -1.95 0.25 113.55 119.33 2bpn h SER 23 Ca -0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2bpn h SER 23 Cb 0.19 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2bpn h SER 23 CO 0.01 0.59 0.00 0.35 -0.87 0.00 0.00 176.83 176.90 2bpn n THR 24 N -4.20 0.00 -2.68 2.95 -2.24 -0.52 -3.90 114.28 103.70 2bpn n THR 24 Ca 0.00 -0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.53 2bpn n THR 24 Cb 0.33 0.15 0.06 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.23 -0.15 0.69 4.78 8.25 -0.40 -4.87 115.22 123.29 2bpn n HIS 25 Ca 0.21 -2.48 0.09 0.00 -0.26 0.00 0.00 57.72 55.27 2bpn n HIS 25 Cb 0.27 0.33 0.07 0.00 1.12 0.00 0.00 29.99 31.78 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 -0.25 1.39 -0.87 -0.41 4.76 0.75 -4.27 118.16 119.25 2bpn n LYS 26 Ca 0.05 -1.53 -0.06 0.00 -2.87 0.00 0.00 58.31 53.89 2bpn n LYS 26 Cb 0.83 -1.33 0.23 0.00 -1.84 0.00 0.00 35.03 32.92 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 0.96 3.44 -4.02 4.39 7.64 -1.26 -4.94 113.62 119.84 2bpn n SER 27 Ca 0.10 -3.50 -0.17 0.00 1.01 0.00 0.00 58.87 56.31 2bpn n SER 27 Cb 0.43 -0.68 -0.14 0.00 -1.01 0.00 0.00 64.21 62.81 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 -3.14 0.62 0.22 0.44 1.01 -1.26 -5.11 120.40 113.18 2bpn s VAL 28 Ca 0.49 -0.50 -0.32 0.00 0.00 0.00 0.00 61.98 61.64 2bpn s VAL 28 Cb 0.42 -0.56 -0.13 0.00 0.00 0.00 0.00 36.38 36.12 2bpn s VAL 28 CO 0.06 0.06 1.63 1.17 0.00 0.00 0.00 175.10 178.02 2bpn n LYS 29 N 2.57 2.54 0.21 2.72 4.81 -1.26 -4.81 118.16 124.93 2bpn n LYS 29 Ca -0.15 0.91 0.18 0.00 -0.87 0.00 0.00 58.31 58.38 2bpn n LYS 29 Cb 0.57 -2.71 0.84 0.00 0.02 0.00 0.00 35.03 33.75 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 -1.38 -0.79 0.10 0.00 0.00 -1.26 0.80 105.19 102.66 2bpn n GLY 31 Ca 0.02 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 0.32 0.00 1.61 3.58 0.59 -3.38 116.42 119.14 2bpn h ASP 32 Ca 0.00 -0.42 -0.29 0.00 0.42 0.00 0.00 57.03 56.75 2bpn h ASP 32 Cb 0.06 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 2bpn h ASP 32 CO 0.00 1.34 -2.00 0.00 -2.88 0.00 0.00 179.24 175.71 2bpn s HIS 34 N -2.34 3.50 0.53 0.00 3.76 0.24 -5.02 115.29 115.97 2bpn s HIS 34 Ca -0.24 -1.95 -0.12 0.00 -0.15 0.00 0.00 55.06 52.60 2bpn s HIS 34 Cb 0.08 -4.20 -0.05 0.00 1.11 0.00 0.00 32.58 29.52 2bpn s HIS 34 CO 0.35 -1.33 0.94 -3.38 -0.85 0.00 0.00 174.74 170.47 2bpn s HIS 35 N 1.43 3.54 0.36 1.40 -0.00 -1.26 -4.03 115.29 116.73 2bpn s HIS 35 Ca 0.36 1.23 -0.28 0.00 -0.00 0.00 0.00 55.06 56.37 2bpn s HIS 35 Cb -0.05 -2.63 -0.10 0.00 -0.00 0.00 0.00 32.58 29.79 2bpn s HIS 35 CO -0.05 -0.44 1.38 -2.14 -0.00 0.00 0.00 174.74 173.48 2bpn s PRO 36 N -4.58 4.19 0.00 -0.38 0.02 -1.26 -3.27 135.00 129.73 2bpn s PRO 36 Ca 0.54 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.91 2bpn s PRO 36 Cb -0.10 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.44 2bpn s PRO 36 CO 0.42 -0.37 0.00 0.28 -0.33 0.00 0.00 177.00 177.00 2bpn n VAL 37 N 0.56 0.00 -2.14 3.83 0.31 -1.26 -4.87 118.33 114.75 2bpn n VAL 37 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.92 2bpn n VAL 37 Cb 0.41 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 2bpn n VAL 37 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2bpn n ASN 38 N -1.78 5.89 -3.48 4.52 5.03 -1.26 -4.65 115.26 119.53 2bpn n ASN 38 Ca 0.00 -3.07 -0.26 0.00 0.87 0.00 0.00 54.58 52.13 2bpn n ASN 38 Cb 0.00 -1.47 -0.05 0.00 -1.02 0.00 0.00 39.78 37.24 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 2.69 -0.34 3.15 7.41 0.00 -1.26 -4.76 105.19 112.08 2bpn n GLY 39 Ca 0.48 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.60 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 -5.51 0.09 -0.01 1.61 2.20 -1.26 -5.10 119.74 111.75 2bpn s LYS 40 Ca 0.50 0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 56.23 2bpn s LYS 40 Cb -0.29 0.07 -0.00 0.00 -1.51 0.00 0.00 37.83 36.09 2bpn s LYS 40 CO 0.61 -0.13 0.04 0.39 -0.36 0.00 0.00 175.35 175.91 2bpn n GLU 41 N 5.32 0.00 -3.62 4.03 1.02 -1.26 -4.35 120.64 121.78 2bpn n GLU 41 Ca -0.01 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.81 2bpn n GLU 41 Cb 0.56 -0.03 -0.05 0.00 -0.02 0.00 0.00 31.44 31.90 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 0.10 6.53 -0.04 1.62 1.11 -1.20 -4.92 116.67 119.86 2bpn s ASP 42 Ca 0.03 0.67 0.12 0.00 0.18 0.00 0.00 52.55 53.55 2bpn s ASP 42 Cb -0.03 -2.12 0.22 0.00 1.07 0.00 0.00 42.92 42.06 2bpn s ASP 42 CO 0.02 0.04 1.10 -1.22 1.18 0.00 0.00 175.17 176.29 2bpn n TYR 43 N 0.12 0.00 -2.62 4.23 4.02 -1.26 -4.40 117.16 117.25 2bpn n TYR 43 Ca -0.02 -0.45 -0.22 0.00 -0.01 0.00 0.00 57.90 57.19 2bpn n TYR 43 Cb 0.52 -0.12 0.04 0.00 -0.02 0.00 0.00 39.34 39.76 2bpn n TYR 43 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2bpn s ARG 44 N -0.72 2.59 0.19 -0.72 0.52 -1.26 -4.99 118.95 114.56 2bpn s ARG 44 Ca 0.19 -0.64 -0.24 0.00 -0.52 0.00 0.00 55.73 54.52 2bpn s ARG 44 Cb 0.20 -2.45 -0.15 0.00 0.52 0.00 0.00 34.95 33.08 2bpn s ARG 44 CO -0.06 -0.72 0.42 1.63 0.02 0.00 0.00 175.30 176.60 2bpn n LYS 45 N -2.39 0.00 -0.10 3.54 4.01 -1.26 -4.81 118.16 117.15 2bpn n LYS 45 Ca 0.07 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.78 2bpn n LYS 45 Cb 0.59 -0.88 -0.02 0.00 -0.51 0.00 0.00 35.03 34.22 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 -1.06 0.52 1.20 0.00 0.00 -1.26 -3.90 105.19 100.70 2bpn n GLY 47 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.24 -0.16 -3.03 2.61 -1.04 -1.26 -2.95 114.28 108.21 2bpn n THR 48 Ca 0.00 0.44 -0.41 0.00 -2.04 0.00 0.00 64.05 62.04 2bpn n THR 48 Cb 0.00 -0.80 -0.05 0.00 -1.82 0.00 0.00 70.33 67.66 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 -3.51 3.57 0.00 2.41 0.00 -1.26 -3.57 121.76 119.40 2bpn s ALA 49 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.73 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 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2bpn n GLY 50 N 3.81 2.26 0.00 0.00 0.00 -1.26 -5.05 105.19 104.95 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 n HIS 52 N 0.00 1.04 -1.17 0.00 8.25 -1.15 -4.56 115.22 117.64 2bpn n HIS 52 Ca 0.00 -0.47 -0.01 0.00 -0.26 0.00 0.00 57.72 56.98 2bpn n HIS 52 Cb 0.00 -2.26 0.25 0.00 1.12 0.00 0.00 29.99 29.10 2bpn n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2bpn n ASP 53 N 16.89 3.70 -4.42 0.41 5.75 -1.24 -4.15 116.55 133.48 2bpn n ASP 53 Ca 0.43 -3.35 -0.35 0.00 -0.01 0.00 0.00 54.79 51.51 2bpn n ASP 53 Cb 0.46 -0.65 -0.13 0.00 -1.03 0.00 0.00 41.12 39.77 2bpn n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2bpn s SER 54 N -1.85 4.65 -0.44 -1.12 0.15 -1.13 -5.01 113.70 108.96 2bpn s SER 54 Ca 0.47 -0.25 0.10 0.00 0.70 0.00 0.00 55.95 56.97 2bpn s SER 54 Cb 0.40 -1.79 0.36 0.00 -1.71 0.00 0.00 66.02 63.28 2bpn s SER 54 CO 0.07 0.06 0.83 0.23 1.20 0.00 0.00 173.24 175.64 2bpn n MET 55 N 4.26 1.85 -1.97 5.44 2.81 -1.26 -1.50 117.12 126.75 2bpn n MET 55 Ca -0.17 -3.92 0.00 0.00 -1.81 0.00 0.00 57.70 51.80 2bpn n MET 55 Cb 0.52 -1.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 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 0.05 1.72 -3.73 7.83 -0.08 -1.26 -5.10 116.55 115.98 2bpn n ASP 56 Ca 0.27 -0.99 -0.30 0.00 -1.51 0.00 0.00 54.79 52.26 2bpn n ASP 56 Cb 0.58 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.90 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 -1.96 1.14 0.00 -0.67 2.47 -1.26 -4.82 119.74 114.65 2bpn s LYS 57 Ca 0.00 -1.75 0.00 0.00 -1.56 0.00 0.00 55.97 52.66 2bpn s LYS 57 Cb 0.00 -2.29 0.00 0.00 -1.46 0.00 0.00 37.83 34.08 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 3.93 0.00 -2.16 4.03 5.02 -1.26 -5.11 118.16 122.61 2bpn n LYS 58 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 2bpn n LYS 58 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.35 2bpn n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bpn s ASP 59 N 0.00 6.79 -0.24 4.39 -1.08 -1.26 -4.87 116.67 120.39 2bpn s ASP 59 Ca 0.00 2.11 0.11 0.00 -0.52 0.00 0.00 52.55 54.25 2bpn s ASP 59 Cb 0.00 -2.55 0.47 0.00 -1.46 0.00 0.00 42.92 39.38 2bpn s ASP 59 CO 0.00 -0.81 1.36 0.29 0.52 0.00 0.00 175.17 176.53 2bpn n LYS 60 N 6.20 1.82 -0.59 4.34 5.02 -1.26 -4.63 118.16 129.07 2bpn n LYS 60 Ca 0.15 -3.13 -0.12 0.00 -2.02 0.00 0.00 58.31 53.18 2bpn n LYS 60 Cb 0.43 -1.74 0.10 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.09 -0.80 0.00 4.39 2.88 -1.26 -4.83 113.62 112.90 2bpn n SER 61 Ca 0.27 -0.96 0.10 0.00 -1.33 0.00 0.00 58.87 56.95 2bpn n SER 61 Cb 0.89 -0.42 0.52 0.00 -0.75 0.00 0.00 64.21 64.46 2bpn n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bpn n ALA 62 N -3.59 2.09 0.85 -1.46 0.00 -1.26 -1.55 120.51 115.60 2bpn n ALA 62 Ca -0.09 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.37 2bpn n ALA 62 Cb 0.24 -1.33 0.14 0.00 0.00 0.00 0.00 19.45 18.50 2bpn n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2bpn n LYS 63 N -1.25 0.10 -2.22 0.00 5.02 -1.26 -4.64 118.16 113.91 2bpn n LYS 63 Ca 0.10 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.98 2bpn n LYS 63 Cb 0.15 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 2bpn n LYS 63 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2bpn s GLY 64 N -3.23 1.41 0.02 0.72 0.00 -0.59 -2.82 107.32 102.83 2bpn s GLY 64 Ca 0.08 0.50 -0.26 0.00 0.00 0.00 0.00 44.72 45.05 2bpn s GLY 64 CO 0.75 2.82 1.25 -1.82 0.00 0.00 0.00 173.10 176.09 2bpn h TYR 65 N 9.64 -0.58 0.00 1.90 3.20 -1.53 -1.88 116.97 127.72 2bpn h TYR 65 Ca -0.32 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.54 2bpn h TYR 65 Cb 1.14 0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.60 2bpn h TYR 65 CO 0.87 -0.26 0.00 0.98 -1.64 0.00 0.00 178.16 178.12 2bpn n TYR 66 N -5.25 0.00 0.90 -3.82 4.19 -1.26 -1.67 117.16 110.24 2bpn n TYR 66 Ca -0.11 0.00 0.10 0.00 3.31 0.00 0.00 57.90 61.21 2bpn n TYR 66 Cb 0.30 -0.10 -0.05 0.00 0.49 0.00 0.00 39.34 39.98 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 -1.10 0.02 -1.01 2.98 -0.00 -0.98 -3.70 115.22 111.43 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 0.10 -0.11 0.27 0.00 -0.12 0.00 0.00 29.99 30.13 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 -1.59 2.37 -2.10 3.57 0.24 -0.67 -4.17 118.33 115.98 2bpn n VAL 68 Ca 0.04 -1.87 -0.04 0.00 -2.04 0.00 0.00 64.34 60.42 2bpn n VAL 68 Cb 0.36 -0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 32.41 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 0.00 0.00 7.34 -0.00 -1.22 -4.73 117.12 118.08 2bpn n MET 69 Ca 0.23 -1.18 0.00 0.00 -0.00 0.00 0.00 57.70 56.75 2bpn n MET 69 Cb 0.94 0.37 0.00 0.00 -0.00 0.00 0.00 33.22 34.53 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 0.10 -0.59 -1.20 3.17 -0.00 -1.24 -3.90 115.22 111.56 2bpn n HIS 70 Ca -0.20 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.15 2bpn n HIS 70 Cb 0.79 0.17 0.05 0.00 -0.00 0.00 0.00 29.99 31.00 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 -1.52 -2.81 -0.00 0.41 8.00 -1.26 -3.32 116.55 116.06 2bpn n ASP 71 Ca 0.00 0.53 0.03 0.00 0.71 0.00 0.00 54.79 56.06 2bpn n ASP 71 Cb 0.00 -1.03 -0.03 0.00 -0.02 0.00 0.00 41.12 40.04 2bpn n ASP 71 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2bpn n LYS 72 N 0.49 4.71 -1.11 -1.24 4.81 -1.26 -4.41 118.16 120.15 2bpn n LYS 72 Ca 0.07 -0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.32 2bpn n LYS 72 Cb 0.50 -0.80 -0.02 0.00 0.02 0.00 0.00 35.03 34.73 2bpn n LYS 72 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2bpn n ASN 73 N -1.18 6.29 -4.65 3.14 5.15 -1.26 -4.88 115.26 117.87 2bpn n ASN 73 Ca 0.01 -3.03 -0.25 0.00 -0.60 0.00 0.00 54.58 50.71 2bpn n ASN 73 Cb 0.09 -1.16 -0.08 0.00 -0.53 0.00 0.00 39.78 38.10 2bpn n ASN 73 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2bpn s THR 74 N -1.83 2.54 0.24 -0.44 -4.23 -1.26 -5.03 115.64 105.63 2bpn s THR 74 Ca 0.43 -1.91 -0.07 0.00 -1.18 0.00 0.00 61.69 58.96 2bpn s THR 74 Cb 0.29 -2.86 0.23 0.00 1.34 0.00 0.00 72.50 71.51 2bpn s THR 74 CO -0.09 -0.15 1.91 0.50 -0.54 0.00 0.00 174.62 176.25 2bpn h LYS 75 N 1.73 1.25 -6.33 3.99 1.63 -1.98 -3.43 116.57 113.44 2bpn h LYS 75 Ca -0.43 -0.09 -0.60 0.00 -0.85 0.00 0.00 60.65 58.69 2bpn h LYS 75 Cb 1.25 -0.28 -0.12 0.00 -0.60 0.00 0.00 32.23 32.48 2bpn h LYS 75 CO 0.68 0.84 -0.69 -0.06 -3.45 0.00 0.00 179.45 176.78 2bpn s PHE 76 N -6.08 2.66 0.80 1.91 0.08 -1.26 -5.12 117.98 110.97 2bpn s PHE 76 Ca -0.13 -0.22 -0.12 0.00 0.12 0.00 0.00 56.93 56.58 2bpn s PHE 76 Cb 0.17 -1.24 0.08 0.00 -0.57 0.00 0.00 43.02 41.46 2bpn s PHE 76 CO 0.81 0.57 1.14 0.15 -0.10 0.00 0.00 175.22 177.79 2bpn s LYS 77 N -3.20 1.85 0.00 0.44 1.02 -1.26 -4.95 119.74 113.64 2bpn s LYS 77 Ca 0.28 1.46 0.00 0.00 0.02 0.00 0.00 55.97 57.73 2bpn s LYS 77 Cb -0.08 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 2bpn s LYS 77 CO 0.17 -1.99 0.00 -1.13 -0.92 0.00 0.00 175.35 171.48 2bpn n SER 78 N -3.48 0.00 -0.10 2.83 3.41 -1.26 -4.89 113.62 110.13 2bpn n SER 78 Ca 0.11 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.59 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 -0.03 1.63 0.00 0.00 2.07 -1.72 -3.20 116.25 115.00 2bpn h VAL 80 Ca -0.43 -3.32 0.00 0.00 0.82 0.00 0.00 66.70 63.77 2bpn h VAL 80 Cb 1.65 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 34.27 2bpn h VAL 80 CO -0.08 0.94 0.00 0.61 0.02 0.00 0.00 177.57 179.06 2bpn n GLY 81 N 1.40 -2.67 0.31 2.17 0.00 -1.21 0.11 105.19 105.29 2bpn n GLY 81 Ca -0.03 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 0.08 0.75 -0.32 0.00 3.86 -1.49 0.07 115.15 118.10 2bpn h HIS 83 Ca 0.49 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.58 2bpn h HIS 83 Cb 0.93 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.15 2bpn h HIS 83 CO -0.45 0.41 -0.34 0.28 0.86 0.00 0.00 177.93 178.69 2bpn h VAL 84 N 0.76 1.29 0.00 2.45 2.07 0.99 2.01 116.25 125.82 2bpn h VAL 84 Ca 0.29 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2bpn h VAL 84 Cb 0.20 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2bpn h VAL 84 CO -0.09 0.49 0.00 -0.62 0.02 0.00 0.00 177.57 177.37 2bpn n GLU 85 N -4.18 0.57 0.00 1.57 1.02 0.67 -3.57 120.64 116.73 2bpn n GLU 85 Ca -0.03 0.03 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 2bpn n GLU 85 Cb 0.51 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.41 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 -1.12 1.20 -1.06 2.62 0.31 -0.11 -4.72 118.33 115.45 2bpn n VAL 86 Ca 0.15 0.26 -0.26 0.00 -0.01 0.00 0.00 64.34 64.49 2bpn n VAL 86 Cb 0.12 -1.79 -0.07 0.00 -0.91 0.00 0.00 33.84 31.18 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 -3.74 6.47 -1.80 3.52 0.00 0.68 -3.95 120.51 121.69 2bpn n ALA 87 Ca -0.06 -2.58 0.05 0.00 0.00 0.00 0.00 53.44 50.85 2bpn n ALA 87 Cb 0.22 -2.92 0.10 0.00 0.00 0.00 0.00 19.45 16.86 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 3.22 3.03 0.03 0.00 0.00 -1.23 -4.51 105.19 105.73 2bpn n GLY 88 Ca 0.58 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.53 1.87 -2.60 4.61 0.00 -1.25 -5.03 120.51 117.58 2bpn n ALA 89 Ca 0.11 -0.34 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 2bpn n ALA 89 Cb 0.80 0.16 -0.12 0.00 0.00 0.00 0.00 19.45 20.29 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 -3.74 2.22 -0.34 0.00 2.15 -1.26 -5.02 116.67 110.66 2bpn s ASP 90 Ca -0.03 -0.66 0.05 0.00 0.43 0.00 0.00 52.55 52.34 2bpn s ASP 90 Cb 0.02 -0.11 0.59 0.00 -0.30 0.00 0.00 42.92 43.12 2bpn s ASP 90 CO 0.21 0.01 1.73 0.00 -0.17 0.00 0.00 175.17 176.95 2bpn n ALA 91 N 1.18 4.84 0.00 3.66 0.00 -1.26 -3.85 120.51 125.08 2bpn n ALA 91 Ca -0.20 -2.28 -0.02 0.00 0.00 0.00 0.00 53.44 50.94 2bpn n ALA 91 Cb 0.54 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.62 2.24 0.29 0.00 0.00 -1.26 -4.64 120.51 116.53 2bpn n ALA 92 Ca 0.45 -0.22 0.16 0.00 0.00 0.00 0.00 53.44 53.83 2bpn n ALA 92 Cb 1.41 0.14 0.91 0.00 0.00 0.00 0.00 19.45 21.91 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 -0.25 0.00 0.00 0.00 3.64 -1.95 -0.25 116.57 117.76 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 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2bpn h LYS 93 CO 0.00 0.04 0.15 1.57 -2.27 0.00 0.00 179.45 178.94 2bpn h LYS 94 N 0.00 0.00 -0.57 1.90 5.09 -1.79 1.66 116.57 122.86 2bpn h LYS 94 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2bpn h LYS 94 Cb 0.14 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.47 2bpn h LYS 94 CO 0.01 0.00 0.00 1.63 -2.09 0.00 0.00 179.45 179.00 2bpn n LYS 95 N -2.52 3.74 0.00 0.07 5.02 -0.10 -2.45 118.16 121.91 2bpn n LYS 95 Ca -0.02 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.41 2bpn n LYS 95 Cb 0.19 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 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 0.81 1.32 0.02 4.39 8.00 0.52 -4.14 116.55 127.47 2bpn n ASP 96 Ca 0.24 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.56 2bpn n ASP 96 Cb 0.90 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.86 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 0.35 -2.02 0.64 3.38 -0.41 -2.82 115.31 114.43 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 0.52 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2bpn h LEU 97 CO 0.00 1.33 0.00 0.35 0.09 0.00 0.00 178.44 180.21 2bpn n THR 98 N -4.22 0.37 -0.93 0.22 -2.24 -1.19 -4.89 114.28 101.39 2bpn n THR 98 Ca -0.14 -0.68 -0.33 0.00 -2.27 0.00 0.00 64.05 60.63 2bpn n THR 98 Cb 0.75 1.00 0.14 0.00 -2.10 0.00 0.00 70.33 70.12 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 0.79 -0.52 0.14 3.38 0.00 -1.03 -4.90 105.19 103.05 2bpn n GLY 99 Ca 0.11 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.47 2.62 0.00 0.00 2.47 -1.26 -4.54 119.74 116.57 2bpn s LYS 101 Ca -0.32 -0.85 0.00 0.00 -1.56 0.00 0.00 55.97 53.24 2bpn s LYS 101 Cb 0.09 -2.12 0.00 0.00 -1.46 0.00 0.00 37.83 34.34 2bpn s LYS 101 CO 0.52 0.28 0.00 1.17 0.16 0.00 0.00 175.35 177.48 2bpn n LYS 102 N 3.21 0.00 -1.16 4.03 3.00 -0.83 -4.95 118.16 121.45 2bpn n LYS 102 Ca -0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.81 2bpn n LYS 102 Cb 0.52 -1.19 0.11 0.00 0.00 0.00 0.00 35.03 34.48 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 -3.28 4.03 0.21 3.14 0.15 -1.06 -4.62 113.70 112.27 2bpn s SER 103 Ca 0.00 2.03 -0.10 0.00 0.70 0.00 0.00 55.95 58.57 2bpn s SER 103 Cb 0.00 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 61.91 2bpn s SER 103 CO 0.00 -2.36 1.86 0.11 1.20 0.00 0.00 173.24 174.05 2bpn h LYS 104 N -1.13 1.00 0.43 5.44 6.56 -1.85 1.20 116.57 128.22 2bpn h LYS 104 Ca -0.44 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 59.05 2bpn h LYS 104 Cb 1.25 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 2bpn h LYS 104 CO 0.48 0.69 -0.21 0.00 -2.06 0.00 0.00 179.45 178.36 2bpn n HIS 106 N -5.20 2.99 1.33 0.00 8.25 -1.11 -4.56 115.22 116.91 2bpn n HIS 106 Ca -0.10 -3.13 0.13 0.00 -0.26 0.00 0.00 57.72 54.37 2bpn n HIS 106 Cb 0.29 -0.97 0.38 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