#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2abd s GLN 2 N 0.00 1.19 0.00 1.43 2.00 -1.26 -5.19 119.66 117.83 2abd s GLN 2 Ca 0.00 -0.94 0.00 0.00 -2.00 0.00 0.00 55.36 52.42 2abd s GLN 2 Cb 0.00 0.45 0.00 0.00 0.80 0.00 0.00 33.01 34.26 2abd s GLN 2 CO 0.00 -0.47 0.00 0.00 -0.50 0.00 0.00 175.29 174.32 2abd n ALA 3 N -0.25 0.00 0.47 1.58 0.00 -1.26 -4.96 120.51 116.10 2abd n ALA 3 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2abd n ALA 3 Cb 0.63 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.31 2abd n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2abd n GLU 4 N 0.00 2.41 -0.34 0.00 0.00 -1.26 -4.51 120.64 116.94 2abd n GLU 4 Ca 0.00 -2.12 -0.01 0.00 0.00 0.00 0.00 57.16 55.03 2abd n GLU 4 Cb 0.00 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 29.98 2abd n GLU 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2abd n PHE 5 N 1.34 0.03 0.22 -1.84 7.35 -1.26 0.14 117.46 123.45 2abd n PHE 5 Ca 0.19 1.09 0.05 0.00 -0.76 0.00 0.00 57.45 58.02 2abd n PHE 5 Cb 0.57 -0.83 0.49 0.00 0.35 0.00 0.00 39.48 40.06 2abd n PHE 5 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2abd h ASP 6 N 0.00 0.00 -0.07 -2.13 3.32 -1.98 0.31 116.42 115.87 2abd h ASP 6 Ca 0.31 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 2abd h ASP 6 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 2abd h ASP 6 CO -0.88 0.22 -0.03 0.50 -1.72 0.00 0.00 179.24 177.34 2abd h LYS 7 N 0.00 0.15 -0.05 3.56 3.64 0.99 0.42 116.57 125.28 2abd h LYS 7 Ca -0.00 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2abd h LYS 7 Cb 0.41 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 2abd h LYS 7 CO 0.03 0.50 -0.41 0.00 -2.27 0.00 0.00 179.45 177.30 2abd h ALA 8 N 0.64 -0.62 0.24 5.00 0.00 0.86 0.18 119.26 125.56 2abd h ALA 8 Ca 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2abd h ALA 8 Cb 0.46 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2abd h ALA 8 CO 0.01 -0.93 -0.41 0.00 0.00 0.00 0.00 179.25 177.92 2abd h ALA 9 N 0.05 -0.79 -0.73 0.00 0.00 -0.26 0.35 119.26 117.88 2abd h ALA 9 Ca 0.06 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.02 2abd h ALA 9 Cb 0.63 0.64 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 2abd h ALA 9 CO -0.34 -1.00 -0.12 1.49 0.00 0.00 0.00 179.25 179.28 2abd h GLU 10 N -0.72 0.03 -0.09 0.00 4.81 0.33 -0.87 114.58 118.07 2abd h GLU 10 Ca -0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2abd h GLU 10 Cb 0.70 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 2abd h GLU 10 CO -0.17 0.02 -0.04 0.93 -0.73 0.00 0.00 179.01 179.03 2abd h GLU 11 N 0.03 0.18 -0.91 1.92 5.08 -0.18 -3.07 114.58 117.63 2abd h GLU 11 Ca 0.37 -0.08 0.16 0.00 -1.00 0.00 0.00 59.36 58.81 2abd h GLU 11 Cb 0.60 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 2abd h GLU 11 CO -0.72 0.53 0.50 -0.24 -1.00 0.00 0.00 179.01 178.08 2abd h VAL 12 N -0.17 0.72 0.00 3.13 3.04 0.66 0.48 116.25 124.11 2abd h VAL 12 Ca 0.02 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2abd h VAL 12 Cb 0.47 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.73 2abd h VAL 12 CO 0.01 0.12 0.00 0.29 -1.01 0.00 0.00 177.57 176.99 2abd n LYS 13 N -4.83 0.56 0.00 4.17 5.02 -0.43 -3.13 118.16 119.52 2abd n LYS 13 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2abd n LYS 13 Cb 0.49 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 2abd n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2abd n HIS 14 N -0.61 0.00 0.00 2.13 8.25 0.16 -5.08 115.22 120.07 2abd n HIS 14 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2abd n HIS 14 Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 2abd n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2abd n LEU 15 N -1.98 0.00 -0.41 2.41 4.77 -0.44 -4.72 117.00 116.62 2abd n LEU 15 Ca 0.00 0.00 0.36 0.00 -0.03 0.00 0.00 56.01 56.34 2abd n LEU 15 Cb 0.41 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 42.13 2abd n LEU 15 CO 0.00 0.00 1.18 0.11 -1.33 0.00 0.00 177.39 177.35 2abd h LYS 16 N 0.00 0.05 -6.22 3.23 1.79 -1.10 -3.40 116.57 110.93 2abd h LYS 16 Ca 0.00 -0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 2abd h LYS 16 Cb 0.00 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 2abd h LYS 16 CO 0.00 0.03 -0.32 0.99 -1.08 0.00 0.00 179.45 179.07 2abd s THR 17 N -5.37 2.47 -0.56 -0.16 2.01 -1.12 -5.02 115.64 107.89 2abd s THR 17 Ca -0.08 -1.29 -0.18 0.00 0.31 0.00 0.00 61.69 60.45 2abd s THR 17 Cb 0.31 -2.76 0.10 0.00 0.01 0.00 0.00 72.50 70.16 2abd s THR 17 CO 0.81 0.00 0.62 -0.75 -0.69 0.00 0.00 174.62 174.61 2abd s LYS 18 N -4.24 3.04 0.23 4.92 2.20 -1.26 -4.93 119.74 119.69 2abd s LYS 18 Ca 0.48 -1.36 -0.31 0.00 -0.36 0.00 0.00 55.97 54.42 2abd s LYS 18 Cb -0.04 -4.24 -0.14 0.00 -1.51 0.00 0.00 37.83 31.89 2abd s LYS 18 CO 0.29 -1.41 1.22 -2.30 -0.36 0.00 0.00 175.35 172.79 2abd n PRO 19 N 5.96 1.54 -1.89 4.03 -0.02 -1.26 -4.97 135.00 138.38 2abd n PRO 19 Ca -0.10 0.55 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 2abd n PRO 19 Cb 0.42 -2.07 0.06 0.00 -0.02 0.00 0.00 33.50 31.89 2abd n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2abd s ALA 20 N -0.36 2.82 0.00 3.55 0.00 -1.26 -4.70 121.76 121.81 2abd s ALA 20 Ca 0.68 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2abd s ALA 20 Cb -0.74 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2abd s ALA 20 CO 0.53 -1.31 0.32 -0.25 0.00 0.00 0.00 175.76 175.05 2abd n ASP 21 N -3.11 0.00 -0.08 0.00 9.92 -1.26 -0.17 116.55 121.85 2abd n ASP 21 Ca 0.07 0.32 -0.07 0.00 -0.53 0.00 0.00 54.79 54.59 2abd n ASP 21 Cb 0.58 -0.03 -0.00 0.00 -0.64 0.00 0.00 41.12 41.03 2abd n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2abd h GLU 22 N 0.00 -0.10 -0.17 -1.24 5.08 -1.98 0.40 114.58 116.57 2abd h GLU 22 Ca 0.00 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2abd h GLU 22 Cb 0.00 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 2abd h GLU 22 CO 0.00 -0.07 -0.28 0.93 -1.00 0.00 0.00 179.01 178.59 2abd h GLU 23 N -0.11 -0.32 -0.04 2.33 5.08 -1.82 0.11 114.58 119.81 2abd h GLU 23 Ca 0.16 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2abd h GLU 23 Cb 0.35 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2abd h GLU 23 CO -0.37 -0.21 -0.10 0.52 -1.00 0.00 0.00 179.01 177.85 2abd h MET 24 N -0.33 -0.15 -0.88 2.33 2.86 0.09 -2.53 114.93 116.32 2abd h MET 24 Ca 0.11 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.89 2abd h MET 24 Cb 0.50 0.03 -0.14 0.00 0.06 0.00 0.00 31.60 32.05 2abd h MET 24 CO -0.35 -0.10 -0.42 -0.07 1.06 0.00 0.00 176.91 177.03 2abd h LEU 25 N -0.15 -1.53 0.19 1.22 3.38 0.12 0.44 115.31 118.97 2abd h LEU 25 Ca 0.05 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2abd h LEU 25 Cb 0.22 0.75 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2abd h LEU 25 CO -0.13 -0.29 -0.36 0.15 0.09 0.00 0.00 178.44 177.91 2abd h PHE 26 N -0.06 -1.01 -0.09 1.13 3.57 -0.52 0.32 116.94 120.28 2abd h PHE 26 Ca 0.28 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.82 2abd h PHE 26 Cb 0.56 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 2abd h PHE 26 CO -0.84 -0.43 -0.37 0.82 -2.23 0.00 0.00 178.31 175.26 2abd h ILE 27 N -0.58 0.00 -0.53 1.41 5.03 -0.97 -1.81 117.51 120.05 2abd h ILE 27 Ca -0.02 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.77 2abd h ILE 27 Cb 0.55 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.26 2abd h ILE 27 CO -0.14 0.00 -0.42 0.22 -0.68 0.00 0.00 178.15 177.13 2abd h TYR 28 N -0.40 -1.33 0.10 1.37 3.20 0.02 0.68 116.97 120.62 2abd h TYR 28 Ca 0.02 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2abd h TYR 28 Cb 0.46 0.65 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 2abd h TYR 28 CO -0.54 -0.31 -0.36 0.66 -1.64 0.00 0.00 178.16 175.97 2abd h SER 29 N -0.14 -1.09 -0.36 -2.11 4.64 -0.24 0.40 113.55 114.66 2abd h SER 29 Ca 0.09 0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2abd h SER 29 Cb 0.36 0.40 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 2abd h SER 29 CO -0.57 -0.39 0.21 0.45 -0.87 0.00 0.00 176.83 175.65 2abd h HIS 30 N -0.53 0.48 -0.02 4.77 3.86 -1.22 0.92 115.15 123.41 2abd h HIS 30 Ca -0.01 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2abd h HIS 30 Cb 0.53 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 2abd h HIS 30 CO -0.39 0.36 -0.11 -0.92 0.86 0.00 0.00 177.93 177.74 2abd h TYR 31 N 0.46 -0.32 -0.91 2.45 3.20 0.70 0.43 116.97 122.99 2abd h TYR 31 Ca 0.13 0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.26 2abd h TYR 31 Cb 0.03 0.14 -0.15 0.00 1.54 0.00 0.00 36.73 38.29 2abd h TYR 31 CO -0.03 -0.11 0.19 0.87 -1.64 0.00 0.00 178.16 177.44 2abd h LYS 32 N -0.12 0.13 -0.36 1.82 1.79 0.02 0.38 116.57 120.23 2abd h LYS 32 Ca 0.01 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 2abd h LYS 32 Cb 0.14 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 2abd h LYS 32 CO -0.08 0.09 -0.19 1.96 -1.08 0.00 0.00 179.45 180.14 2abd h GLN 33 N 0.13 0.68 -0.07 3.15 1.08 0.69 0.44 115.11 121.23 2abd h GLN 33 Ca 0.58 -0.25 -0.18 0.00 -1.45 0.00 0.00 58.65 57.34 2abd h GLN 33 Cb 1.20 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 2abd h GLN 33 CO -0.73 0.83 -0.74 0.00 -0.95 0.00 0.00 178.83 177.23 2abd h ALA 34 N 1.18 0.60 0.00 3.87 0.00 0.29 -3.28 119.26 121.93 2abd h ALA 34 Ca 0.09 -0.62 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 2abd h ALA 34 Cb 0.66 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2abd h ALA 34 CO 0.05 0.78 -1.44 0.25 0.00 0.00 0.00 179.25 178.88 2abd n THR 35 N -3.82 1.50 -0.08 0.00 -2.24 1.00 -4.82 114.28 105.82 2abd n THR 35 Ca -0.04 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 2abd n THR 35 Cb 0.72 -2.17 -0.08 0.00 -2.10 0.00 0.00 70.33 66.70 2abd n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2abd h VAL 36 N -1.00 0.75 0.00 2.28 2.07 -0.66 -3.50 116.25 116.20 2abd h VAL 36 Ca -0.27 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.49 2abd h VAL 36 Cb 1.15 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2abd h VAL 36 CO -0.16 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.29 2abd n GLY 37 N 1.57 0.42 3.70 2.17 0.00 0.12 -5.00 105.19 108.16 2abd n GLY 37 Ca -0.16 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 2abd n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2abd n ASP 38 N 0.00 3.99 -1.04 1.61 9.92 -1.26 -3.48 116.55 126.29 2abd n ASP 38 Ca 0.00 1.02 -0.03 0.00 -0.53 0.00 0.00 54.79 55.25 2abd n ASP 38 Cb 0.00 -1.55 -0.03 0.00 -0.64 0.00 0.00 41.12 38.90 2abd n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2abd n ILE 39 N 4.37 0.00 -1.01 0.53 3.06 -1.26 -4.67 119.36 120.37 2abd n ILE 39 Ca 0.17 -0.12 -0.22 0.00 -2.50 0.00 0.00 62.75 60.08 2abd n ILE 39 Cb 0.36 0.00 0.15 0.00 0.54 0.00 0.00 39.64 40.69 2abd n ILE 39 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 2abd n ASN 40 N 1.23 4.03 -4.34 9.51 6.94 -1.26 -4.78 115.26 126.59 2abd n ASN 40 Ca 0.08 -3.45 -0.20 0.00 -0.02 0.00 0.00 54.58 50.99 2abd n ASN 40 Cb 0.08 -0.82 -0.10 0.00 -2.36 0.00 0.00 39.78 36.57 2abd n ASN 40 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2abd s THR 41 N -3.07 1.75 0.23 5.53 -4.23 -1.26 -5.15 115.64 109.45 2abd s THR 41 Ca 0.51 -2.09 0.07 0.00 -1.18 0.00 0.00 61.69 59.01 2abd s THR 41 Cb 0.43 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 2abd s THR 41 CO 0.09 -0.49 0.14 -1.83 -0.54 0.00 0.00 174.62 171.99 2abd s GLU 42 N -3.30 2.78 -0.62 3.99 -1.05 -1.26 -5.04 118.70 114.20 2abd s GLU 42 Ca 0.19 -1.08 -0.27 0.00 -0.15 0.00 0.00 54.97 53.66 2abd s GLU 42 Cb -0.03 -2.50 0.03 0.00 -0.44 0.00 0.00 34.13 31.19 2abd s GLU 42 CO 0.07 0.41 1.18 0.50 0.95 0.00 0.00 175.26 178.37 2abd s ARG 43 N -3.62 3.40 0.02 -4.83 3.52 -1.26 -4.90 118.95 111.28 2abd s ARG 43 Ca 0.32 0.03 -0.09 0.00 -0.13 0.00 0.00 55.73 55.86 2abd s ARG 43 Cb -0.08 -4.07 -0.05 0.00 -1.56 0.00 0.00 34.95 29.19 2abd s ARG 43 CO 0.23 -1.79 0.20 -2.30 -0.81 0.00 0.00 175.30 170.84 2abd n PRO 44 N 8.56 0.00 0.00 5.12 -0.02 -1.26 -4.93 135.00 142.48 2abd n PRO 44 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2abd n PRO 44 Cb 0.49 -0.31 0.00 0.00 -0.02 0.00 0.00 33.50 33.65 2abd n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2abd n GLY 45 N 0.41 0.56 0.95 -1.23 0.00 -1.26 -5.00 105.19 99.63 2abd n GLY 45 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 2abd n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2abd n MET 46 N -0.93 0.83 -1.00 1.61 2.81 -1.26 -4.96 117.12 114.22 2abd n MET 46 Ca 0.00 -0.75 -0.13 0.00 -1.81 0.00 0.00 57.70 55.02 2abd n MET 46 Cb 0.00 -0.07 -0.14 0.00 -0.71 0.00 0.00 33.22 32.30 2abd n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2abd n LEU 47 N 0.00 5.40 -2.42 4.03 4.77 -1.26 -4.39 117.00 123.13 2abd n LEU 47 Ca 0.04 -3.21 -0.31 0.00 -0.03 0.00 0.00 56.01 52.50 2abd n LEU 47 Cb 0.15 -1.37 0.04 0.00 -2.33 0.00 0.00 43.42 39.91 2abd n LEU 47 CO 0.09 1.63 1.46 -0.67 -1.33 0.00 0.00 177.39 178.57 2abd n ASP 48 N 2.20 7.23 -0.28 -1.43 2.03 -1.26 -4.68 116.55 120.36 2abd n ASP 48 Ca 0.39 -3.57 0.10 0.00 0.52 0.00 0.00 54.79 52.23 2abd n ASP 48 Cb 0.84 -1.06 0.24 0.00 -0.72 0.00 0.00 41.12 40.41 2abd n ASP 48 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2abd h PHE 49 N 2.32 0.26 -0.97 -0.67 -1.00 -1.99 0.30 116.94 115.18 2abd h PHE 49 Ca 0.50 0.05 -0.55 0.00 2.81 0.00 0.00 57.97 60.78 2abd h PHE 49 Cb 0.61 0.02 -0.30 0.00 3.61 0.00 0.00 35.95 39.89 2abd h PHE 49 CO 1.25 -0.18 0.70 1.17 -1.61 0.00 0.00 178.31 179.64 2abd n LYS 50 N -5.23 2.34 0.01 1.51 4.81 -1.26 -4.25 118.16 116.09 2abd n LYS 50 Ca 0.18 -3.01 -0.03 0.00 -0.87 0.00 0.00 58.31 54.58 2abd n LYS 50 Cb 0.59 -2.18 -0.01 0.00 0.02 0.00 0.00 35.03 33.45 2abd n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2abd n GLY 51 N -1.04 -0.16 0.00 3.14 0.00 0.98 -4.78 105.19 103.35 2abd n GLY 51 Ca 0.59 -0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.54 2abd n GLY 51 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2abd n LYS 52 N -3.68 -0.00 -0.36 1.61 0.00 -0.82 0.30 118.16 115.21 2abd n LYS 52 Ca -0.05 0.01 -0.08 0.00 -0.00 0.00 0.00 58.31 58.19 2abd n LYS 52 Cb 0.19 -0.01 -0.06 0.00 -0.00 0.00 0.00 35.03 35.15 2abd n LYS 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2abd n ALA 53 N -4.00 -0.47 -0.09 0.58 0.00 -1.26 0.90 120.51 116.17 2abd n ALA 53 Ca 0.00 0.76 -0.06 0.00 0.00 0.00 0.00 53.44 54.14 2abd n ALA 53 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2abd n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2abd h LYS 54 N 0.00 0.04 0.12 0.00 1.79 -0.49 0.30 116.57 118.33 2abd h LYS 54 Ca 0.17 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.65 2abd h LYS 54 Cb 0.39 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 2abd h LYS 54 CO -0.82 0.03 -0.48 2.35 -1.08 0.00 0.00 179.45 179.44 2abd h TRP 55 N 0.04 -1.40 0.20 -1.35 7.01 0.54 -0.69 115.95 120.30 2abd h TRP 55 Ca 0.16 0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.21 2abd h TRP 55 Cb 0.23 0.59 -0.04 0.00 -2.10 0.00 0.00 29.16 27.84 2abd h TRP 55 CO -0.27 -0.55 -0.47 -0.44 -2.79 0.00 0.00 178.44 173.92 2abd h ASP 56 N -0.69 -1.38 -0.75 2.65 3.32 0.54 0.51 116.42 120.62 2abd h ASP 56 Ca -0.01 0.14 0.16 0.00 0.02 0.00 0.00 57.03 57.34 2abd h ASP 56 Cb 0.69 0.50 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 2abd h ASP 56 CO -0.26 -0.55 0.24 0.00 -1.72 0.00 0.00 179.24 176.95 2abd h ALA 57 N -0.42 1.02 0.21 3.45 0.00 -0.29 0.34 119.26 123.57 2abd h ALA 57 Ca -0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2abd h ALA 57 Cb 0.74 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2abd h ALA 57 CO -0.22 -0.30 -0.10 2.35 0.00 0.00 0.00 179.25 180.98 2abd h TRP 58 N 0.34 -0.26 -0.80 0.00 7.01 -0.59 -3.18 115.95 118.48 2abd h TRP 58 Ca 0.42 -0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.61 2abd h TRP 58 Cb 0.71 0.09 -0.14 0.00 -2.10 0.00 0.00 29.16 27.71 2abd h TRP 58 CO -0.22 0.11 0.02 -0.97 -2.79 0.00 0.00 178.44 174.59 2abd h ASN 59 N -0.71 -0.35 -1.19 2.65 -1.24 0.12 0.14 115.58 114.99 2abd h ASN 59 Ca -0.03 0.21 0.43 0.00 0.71 0.00 0.00 56.30 57.62 2abd h ASN 59 Cb 0.49 0.36 -0.14 0.00 0.73 0.00 0.00 38.32 39.76 2abd h ASN 59 CO 0.05 -0.20 0.74 1.21 -1.29 0.00 0.00 177.43 177.94 2abd n GLU 60 N -5.36 -0.04 0.09 6.67 2.13 0.11 0.59 120.64 124.83 2abd n GLU 60 Ca 0.15 1.22 -0.04 0.00 0.66 0.00 0.00 57.16 59.15 2abd n GLU 60 Cb 0.52 -2.34 -0.03 0.00 0.27 0.00 0.00 31.44 29.86 2abd n GLU 60 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2abd h LEU 61 N 0.00 0.00 -0.05 4.31 3.38 -0.82 -3.47 115.31 118.66 2abd h LEU 61 Ca 0.82 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.79 2abd h LEU 61 Cb 2.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.26 2abd h LEU 61 CO -0.53 0.83 0.01 1.17 0.09 0.00 0.00 178.44 180.01 2abd n LYS 62 N -3.40 0.00 0.00 1.13 4.81 0.20 0.98 118.16 121.87 2abd n LYS 62 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2abd n LYS 62 Cb 0.84 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.88 2abd n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2abd n GLY 63 N 0.03 1.99 3.86 3.14 0.00 -1.26 -4.99 105.19 107.95 2abd n GLY 63 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2abd n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2abd s THR 64 N -2.00 4.72 0.02 2.61 2.01 0.27 -4.95 115.64 118.33 2abd s THR 64 Ca 0.00 0.82 -0.35 0.00 0.31 0.00 0.00 61.69 62.47 2abd s THR 64 Cb 0.00 -3.66 -0.14 0.00 0.01 0.00 0.00 72.50 68.71 2abd s THR 64 CO 0.00 -0.33 1.65 -0.24 -0.69 0.00 0.00 174.62 175.02 2abd n SER 65 N -0.76 2.89 -0.49 3.53 2.88 -1.26 -4.73 113.62 115.69 2abd n SER 65 Ca 0.03 1.05 0.39 0.00 -1.33 0.00 0.00 58.87 59.01 2abd n SER 65 Cb 0.53 -1.34 0.62 0.00 -0.75 0.00 0.00 64.21 63.28 2abd n SER 65 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2abd n LYS 66 N 4.50 -0.02 -0.05 -1.46 4.81 -1.26 0.05 118.16 124.73 2abd n LYS 66 Ca 0.20 1.00 -0.21 0.00 -0.87 0.00 0.00 58.31 58.43 2abd n LYS 66 Cb 0.26 -2.10 -0.13 0.00 0.02 0.00 0.00 35.03 33.08 2abd n LYS 66 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2abd n GLU 67 N -4.07 0.71 -0.24 1.64 2.13 -1.26 -3.40 120.64 116.15 2abd n GLU 67 Ca 0.36 0.26 0.05 0.00 0.66 0.00 0.00 57.16 58.49 2abd n GLU 67 Cb 1.49 -1.65 0.17 0.00 0.27 0.00 0.00 31.44 31.71 2abd n GLU 67 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2abd h ASP 68 N -0.10 -0.12 -0.28 4.31 5.19 -0.72 0.57 116.42 125.27 2abd h ASP 68 Ca -0.47 0.16 0.07 0.00 -0.62 0.00 0.00 57.03 56.17 2abd h ASP 68 Cb 1.91 0.24 -0.08 0.00 0.18 0.00 0.00 39.33 41.59 2abd h ASP 68 CO -0.01 -0.09 -0.28 0.00 -3.12 0.00 0.00 179.24 175.75 2abd h ALA 69 N 1.63 -0.17 0.77 3.45 0.00 -1.26 0.30 119.26 123.99 2abd h ALA 69 Ca 0.40 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 2abd h ALA 69 Cb 0.69 0.58 0.01 0.00 0.00 0.00 0.00 17.79 19.07 2abd h ALA 69 CO -0.55 -0.70 -0.37 0.52 0.00 0.00 0.00 179.25 178.15 2abd h MET 70 N -0.27 -1.00 -0.68 0.00 2.86 -0.31 0.22 114.93 115.76 2abd h MET 70 Ca 0.15 0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.92 2abd h MET 70 Cb 0.50 0.23 -0.09 0.00 0.06 0.00 0.00 31.60 32.29 2abd h MET 70 CO -0.43 -0.67 -0.48 0.87 1.06 0.00 0.00 176.91 177.27 2abd h LYS 71 N -1.22 -0.09 -0.11 1.72 1.57 0.09 0.14 116.57 118.67 2abd h LYS 71 Ca -0.11 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2abd h LYS 71 Cb 0.79 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 2abd h LYS 71 CO 0.17 -0.06 -0.46 0.00 -0.57 0.00 0.00 179.45 178.53 2abd h ALA 72 N 0.09 -0.83 -0.92 3.86 0.00 -0.41 -0.13 119.26 120.92 2abd h ALA 72 Ca 0.11 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.12 2abd h ALA 72 Cb 0.38 0.95 -0.15 0.00 0.00 0.00 0.00 17.79 18.96 2abd h ALA 72 CO -0.69 -1.00 -0.34 0.98 0.00 0.00 0.00 179.25 178.20 2abd n TYR 73 N -5.00 0.08 0.24 0.00 9.36 0.79 0.69 117.16 123.31 2abd n TYR 73 Ca -0.05 1.13 -0.10 0.00 3.32 0.00 0.00 57.90 62.20 2abd n TYR 73 Cb 0.32 -0.87 -0.05 0.00 -0.63 0.00 0.00 39.34 38.11 2abd n TYR 73 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2abd h ILE 74 N 0.00 0.00 -0.97 2.97 2.04 -0.25 0.43 117.51 121.74 2abd h ILE 74 Ca 0.34 -0.28 0.28 0.00 1.00 0.00 0.00 64.86 66.20 2abd h ILE 74 Cb 0.57 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 2abd h ILE 74 CO -0.92 0.00 0.93 0.44 0.00 0.00 0.00 178.15 178.61 2abd h ASP 75 N -0.92 0.00 0.08 1.72 5.19 -0.18 0.74 116.42 123.05 2abd h ASP 75 Ca -0.07 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 55.98 2abd h ASP 75 Cb 0.49 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.94 2abd h ASP 75 CO 0.11 0.00 -2.28 1.17 -3.12 0.00 0.00 179.24 175.11 2abd n LYS 76 N -3.64 0.68 -0.31 3.56 0.00 0.22 -4.20 118.16 114.46 2abd n LYS 76 Ca 0.21 0.08 0.06 0.00 0.00 0.00 0.00 58.31 58.66 2abd n LYS 76 Cb 1.24 -1.57 0.21 0.00 0.00 0.00 0.00 35.03 34.91 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2abd h VAL 77 N 0.00 0.84 -0.78 3.15 2.07 0.52 0.18 116.25 122.24 2abd h VAL 77 Ca -0.51 -0.27 0.16 0.00 0.82 0.00 0.00 66.70 66.90 2abd h VAL 77 Cb 2.14 -0.01 -0.15 0.00 -1.52 0.00 0.00 31.29 31.75 2abd h VAL 77 CO 0.02 0.14 -0.19 -0.33 0.02 0.00 0.00 177.57 177.23 2abd h GLU 78 N 0.78 0.00 -0.79 1.57 4.39 -1.48 1.07 114.58 120.12 2abd h GLU 78 Ca 0.45 -0.00 0.19 0.00 0.34 0.00 0.00 59.36 60.34 2abd h GLU 78 Cb 0.51 -0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.03 2abd h GLU 78 CO -0.30 0.00 0.12 0.93 -1.16 0.00 0.00 179.01 178.61 2abd h GLU 79 N 0.00 0.18 0.18 2.33 5.08 -0.85 -0.57 114.58 120.93 2abd h GLU 79 Ca 0.38 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 2abd h GLU 79 Cb 0.58 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2abd h GLU 79 CO -0.80 0.12 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.17 2abd h LEU 80 N 0.18 -0.20 -1.91 1.33 3.38 0.11 0.67 115.31 118.87 2abd h LEU 80 Ca 0.46 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.36 2abd h LEU 80 Cb 0.84 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2abd h LEU 80 CO -0.62 0.01 0.42 0.50 0.09 0.00 0.00 178.44 178.83 2abd h LYS 81 N -0.41 0.00 0.05 1.13 3.64 0.48 0.49 116.57 121.94 2abd h LYS 81 Ca -0.02 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 58.99 2abd h LYS 81 Cb 0.32 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 2abd h LYS 81 CO 0.04 0.00 -2.14 1.63 -2.27 0.00 0.00 179.45 176.72 2abd n LYS 82 N -3.25 0.67 -0.03 1.90 5.02 -0.36 -1.91 118.16 120.20 2abd n LYS 82 Ca 0.03 0.27 -0.15 0.00 -2.02 0.00 0.00 58.31 56.44 2abd n LYS 82 Cb 0.52 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.82 2abd n LYS 82 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2abd h LYS 83 N -0.27 0.34 0.02 1.97 1.63 0.14 -3.38 116.57 117.01 2abd h LYS 83 Ca -0.51 -0.27 -0.28 0.00 -0.85 0.00 0.00 60.65 58.74 2abd h LYS 83 Cb 1.82 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 33.47 2abd h LYS 83 CO -0.09 0.90 -1.54 0.66 -3.45 0.00 0.00 179.45 175.93 2abd n TYR 84 N -4.43 0.90 0.00 1.91 4.01 0.16 -4.98 117.16 114.73 2abd n TYR 84 Ca -0.08 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 2abd n TYR 84 Cb 0.49 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.43 2abd n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2abd n GLY 85 N 1.49 2.54 0.61 2.72 0.00 -0.80 -2.77 105.19 108.97 2abd n GLY 85 Ca -0.35 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 43.95 2abd n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83