#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2abd n GLN 2 N 0.00 3.76 0.00 4.33 7.27 -1.26 -5.14 117.38 126.35 2abd n GLN 2 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2abd n GLN 2 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2abd n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2abd n ALA 3 N -3.00 0.00 1.03 1.69 0.00 -1.26 -4.97 120.51 114.00 2abd n ALA 3 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2abd n ALA 3 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 1.46 -0.31 0.00 0.00 -1.26 -4.61 120.64 115.92 2abd n GLU 4 Ca 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 57.16 55.90 2abd n GLU 4 Cb 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 31.44 29.89 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 0.26 -0.32 0.29 -1.84 7.35 -1.26 0.77 117.46 122.70 2abd n PHE 5 Ca 0.11 0.91 0.16 0.00 -0.76 0.00 0.00 57.45 57.86 2abd n PHE 5 Cb 0.49 -0.55 0.85 0.00 0.35 0.00 0.00 39.48 40.63 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 -0.10 -2.13 3.32 -1.97 0.25 116.42 115.79 2abd h ASP 6 Ca 0.12 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 2abd h ASP 6 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2abd h ASP 6 CO -0.68 0.06 -0.36 0.50 -1.72 0.00 0.00 179.24 177.04 2abd h LYS 7 N 0.00 0.42 -0.01 3.56 3.11 -0.23 0.28 116.57 123.70 2abd h LYS 7 Ca -0.00 -0.32 0.03 0.00 -2.81 0.00 0.00 60.65 57.55 2abd h LYS 7 Cb 0.25 0.06 -0.06 0.00 -1.00 0.00 0.00 32.23 31.48 2abd h LYS 7 CO 0.01 0.95 -0.40 0.00 -2.81 0.00 0.00 179.45 177.19 2abd h ALA 8 N 0.47 -0.63 0.35 5.00 0.00 0.30 0.94 119.26 125.69 2abd h ALA 8 Ca -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2abd h ALA 8 Cb 1.00 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 2abd h ALA 8 CO 0.08 -0.93 -0.47 0.00 0.00 0.00 0.00 179.25 177.92 2abd h ALA 9 N 0.03 -0.98 -0.94 0.00 0.00 -0.59 0.24 119.26 117.01 2abd h ALA 9 Ca 0.05 -0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.04 2abd h ALA 9 Cb 0.64 0.72 -0.18 0.00 0.00 0.00 0.00 17.79 18.97 2abd h ALA 9 CO -0.32 -1.10 -0.13 -1.91 0.00 0.00 0.00 179.25 175.79 2abd n GLU 10 N -5.52 -0.08 0.03 0.00 0.00 0.98 -1.79 120.64 114.26 2abd n GLU 10 Ca -0.10 1.44 -0.01 0.00 0.00 0.00 0.00 57.16 58.48 2abd n GLU 10 Cb 0.42 -2.20 -0.01 0.00 0.00 0.00 0.00 31.44 29.66 2abd n GLU 10 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2abd h GLU 11 N 0.00 -0.07 -0.84 5.31 5.08 -0.27 -3.37 114.58 120.43 2abd h GLU 11 Ca 0.50 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.98 2abd h GLU 11 Cb 0.89 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.03 2abd h GLU 11 CO -0.93 -0.05 -0.38 1.55 -1.00 0.00 0.00 179.01 178.21 2abd n VAL 12 N -2.34 -0.48 -0.30 3.13 3.14 0.78 -1.33 118.33 120.92 2abd n VAL 12 Ca -0.01 1.98 0.32 0.00 -2.96 0.00 0.00 64.34 63.67 2abd n VAL 12 Cb 0.03 -2.57 0.49 0.00 -1.06 0.00 0.00 33.84 30.74 2abd n VAL 12 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2abd n LYS 13 N -5.18 0.01 -0.01 1.45 5.02 -0.74 -1.54 118.16 117.18 2abd n LYS 13 Ca 0.07 1.01 0.08 0.00 -2.02 0.00 0.00 58.31 57.45 2abd n LYS 13 Cb 0.30 -2.49 -0.13 0.00 -0.02 0.00 0.00 35.03 32.69 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 -3.33 0.00 0.00 2.13 8.25 -0.44 -5.07 115.22 116.76 2abd n HIS 14 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2abd n HIS 14 Cb 1.60 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 32.29 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 -2.13 0.00 -0.26 2.41 4.77 -0.59 -4.83 117.00 116.38 2abd n LEU 15 Ca -0.05 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.92 2abd n LEU 15 Cb 0.48 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 2abd n LEU 15 CO 0.36 0.00 0.65 0.50 -1.33 0.00 0.00 177.39 177.57 2abd h LYS 16 N 0.00 -0.07 -7.06 3.23 3.64 -0.54 -3.41 116.57 112.36 2abd h LYS 16 Ca 0.00 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.93 2abd h LYS 16 Cb 0.00 0.02 0.06 0.00 -0.41 0.00 0.00 32.23 31.89 2abd h LYS 16 CO 0.00 -0.05 0.11 0.99 -2.27 0.00 0.00 179.45 178.23 2abd s THR 17 N -6.09 2.88 -0.49 1.00 2.01 -1.13 -5.04 115.64 108.78 2abd s THR 17 Ca -0.14 -0.35 -0.16 0.00 0.31 0.00 0.00 61.69 61.35 2abd s THR 17 Cb 0.19 -3.15 0.09 0.00 0.01 0.00 0.00 72.50 69.64 2abd s THR 17 CO 0.72 -0.14 0.43 -0.54 -0.69 0.00 0.00 174.62 174.40 2abd s LYS 18 N -4.98 2.99 0.32 4.92 3.01 -1.26 -4.90 119.74 119.83 2abd s LYS 18 Ca 0.57 -1.46 -0.27 0.00 -1.01 0.00 0.00 55.97 53.80 2abd s LYS 18 Cb -0.10 -4.19 -0.13 0.00 -1.01 0.00 0.00 37.83 32.39 2abd s LYS 18 CO 0.42 -1.13 0.93 -2.30 0.51 0.00 0.00 175.35 173.78 2abd n PRO 19 N 5.24 1.19 -1.17 -1.68 -0.02 -1.26 -4.92 135.00 132.38 2abd n PRO 19 Ca -0.13 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.45 2abd n PRO 19 Cb 0.43 -1.79 0.11 0.00 -0.02 0.00 0.00 33.50 32.23 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 -1.13 1.95 0.09 3.55 0.00 -1.26 -4.58 121.76 120.38 2abd s ALA 20 Ca 0.60 0.64 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 2abd s ALA 20 Cb -0.68 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 18.98 2abd s ALA 20 CO 0.59 -2.12 1.28 -3.47 0.00 0.00 0.00 175.76 172.04 2abd n ASP 21 N -3.37 -0.61 -0.16 0.00 2.03 -1.26 -0.93 116.55 112.26 2abd n ASP 21 Ca 0.12 1.42 -0.04 0.00 0.52 0.00 0.00 54.79 56.80 2abd n ASP 21 Cb 0.51 -0.33 0.02 0.00 -0.72 0.00 0.00 41.12 40.61 2abd n ASP 21 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2abd h GLU 22 N 0.00 -0.09 -0.15 -0.67 5.08 -1.98 0.48 114.58 117.26 2abd h GLU 22 Ca 0.09 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2abd h GLU 22 Cb 0.23 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2abd h GLU 22 CO -0.54 -0.06 -0.07 0.93 -1.00 0.00 0.00 179.01 178.27 2abd h GLU 23 N -0.10 -0.05 -0.19 2.33 5.08 -1.51 -0.03 114.58 120.11 2abd h GLU 23 Ca 0.23 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2abd h GLU 23 Cb 0.46 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2abd h GLU 23 CO -0.56 -0.03 0.01 0.52 -1.00 0.00 0.00 179.01 177.95 2abd h MET 24 N -0.05 0.07 -0.62 2.33 2.86 -0.10 -2.74 114.93 116.67 2abd h MET 24 Ca 0.08 -0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.82 2abd h MET 24 Cb 0.17 -0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.70 2abd h MET 24 CO -0.18 0.04 -0.37 -0.07 1.06 0.00 0.00 176.91 177.39 2abd h LEU 25 N 0.07 -1.30 0.24 1.22 3.38 0.89 0.33 115.31 120.14 2abd h LEU 25 Ca 0.09 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2abd h LEU 25 Cb 0.10 0.63 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2abd h LEU 25 CO -0.14 -0.31 -0.44 0.15 0.09 0.00 0.00 178.44 177.79 2abd h PHE 26 N -0.17 -1.24 -0.32 1.13 3.57 -0.89 0.32 116.94 119.34 2abd h PHE 26 Ca 0.22 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.79 2abd h PHE 26 Cb 0.56 0.51 -0.08 0.00 2.79 0.00 0.00 35.95 39.73 2abd h PHE 26 CO -0.68 -0.53 -0.55 0.82 -2.23 0.00 0.00 178.31 175.14 2abd h ILE 27 N -0.72 0.01 0.00 1.41 5.03 -1.08 -0.51 117.51 121.64 2abd h ILE 27 Ca -0.03 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.74 2abd h ILE 27 Cb 0.68 0.01 -0.06 0.00 -3.03 0.00 0.00 36.82 34.42 2abd h ILE 27 CO -0.16 0.00 -0.48 0.22 -0.68 0.00 0.00 178.15 177.05 2abd h TYR 28 N -0.46 -1.39 -0.00 1.37 3.20 -0.09 0.48 116.97 120.07 2abd h TYR 28 Ca 0.06 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.99 2abd h TYR 28 Cb 0.63 0.61 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 2abd h TYR 28 CO -0.68 -0.54 -0.40 0.66 -1.64 0.00 0.00 178.16 175.56 2abd h SER 29 N -0.63 -1.24 0.09 -2.11 4.64 -0.03 0.37 113.55 114.63 2abd h SER 29 Ca 0.03 0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2abd h SER 29 Cb 0.70 0.47 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2abd h SER 29 CO -0.34 -0.39 -0.04 0.45 -0.87 0.00 0.00 176.83 175.64 2abd h HIS 30 N -0.50 -0.11 0.15 4.77 3.86 -1.05 0.05 115.15 122.31 2abd h HIS 30 Ca 0.01 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2abd h HIS 30 Cb 0.54 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 2abd h HIS 30 CO -0.48 0.07 -0.25 -0.92 0.86 0.00 0.00 177.93 177.21 2abd h TYR 31 N -0.27 -0.71 -0.84 2.45 3.20 0.13 0.33 116.97 121.25 2abd h TYR 31 Ca -0.01 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.02 2abd h TYR 31 Cb 0.23 0.29 -0.15 0.00 1.54 0.00 0.00 36.73 38.64 2abd h TYR 31 CO -0.02 -0.31 -0.31 0.87 -1.64 0.00 0.00 178.16 176.76 2abd h LYS 32 N -0.42 -0.04 -0.73 1.82 1.79 -0.26 0.34 116.57 119.07 2abd h LYS 32 Ca -0.02 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 2abd h LYS 32 Cb 0.39 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 2abd h LYS 32 CO -0.09 -0.03 0.28 1.96 -1.08 0.00 0.00 179.45 180.49 2abd h GLN 33 N -0.04 1.11 0.00 3.15 1.08 -0.33 0.58 115.11 120.66 2abd h GLN 33 Ca 0.35 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2abd h GLN 33 Cb 0.60 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2abd h GLN 33 CO -0.87 0.92 -0.14 0.00 -0.95 0.00 0.00 178.83 177.78 2abd h ALA 34 N 1.14 1.04 0.00 3.87 0.00 0.20 -3.20 119.26 122.31 2abd h ALA 34 Ca 0.24 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2abd h ALA 34 Cb 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2abd h ALA 34 CO -0.02 0.18 -1.25 0.25 0.00 0.00 0.00 179.25 178.41 2abd n THR 35 N -3.32 0.25 -0.10 0.00 -2.24 0.97 -4.88 114.28 104.96 2abd n THR 35 Ca 0.00 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 2abd n THR 35 Cb 0.37 -1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 67.46 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 -0.07 0.91 0.00 2.28 2.07 -0.16 -3.50 116.25 117.78 2abd h VAL 36 Ca -0.11 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2abd h VAL 36 Cb 1.13 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2abd h VAL 36 CO -0.04 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.47 2abd n GLY 37 N 1.45 0.17 3.58 2.17 0.00 0.58 -4.99 105.19 108.15 2abd n GLY 37 Ca -0.30 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 2abd n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2abd s ASP 38 N -4.00 5.14 0.00 1.61 1.11 -1.26 -3.61 116.67 115.66 2abd s ASP 38 Ca 0.00 1.55 0.00 0.00 0.18 0.00 0.00 52.55 54.28 2abd s ASP 38 Cb 0.00 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.48 2abd s ASP 38 CO 0.00 -2.26 0.00 0.00 1.18 0.00 0.00 175.17 174.09 2abd n ILE 39 N 7.81 0.00 -1.85 0.77 3.06 -1.26 -4.79 119.36 123.09 2abd n ILE 39 Ca 0.31 0.00 -0.25 0.00 -2.50 0.00 0.00 62.75 60.31 2abd n ILE 39 Cb 0.48 0.00 0.04 0.00 0.54 0.00 0.00 39.64 40.71 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 0.00 5.37 0.00 9.51 6.94 -1.26 -4.62 115.26 131.19 2abd n ASN 40 Ca 0.00 -3.76 0.00 0.00 -0.02 0.00 0.00 54.58 50.80 2abd n ASN 40 Cb 0.00 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 2abd n ASN 40 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2abd n THR 41 N -0.78 0.00 0.00 5.53 -2.24 -1.26 -5.15 114.28 110.38 2abd n THR 41 Ca 0.47 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 2abd n THR 41 Cb 0.90 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 2abd n THR 41 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2abd n GLU 42 N -1.15 0.00 -2.45 -0.78 0.28 -1.26 -5.11 120.64 110.17 2abd n GLU 42 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 2abd n GLU 42 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 2abd n GLU 42 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2abd s ARG 43 N -2.55 4.35 0.51 3.44 3.52 -1.26 -4.92 118.95 122.04 2abd s ARG 43 Ca 0.00 1.69 -0.00 0.00 -0.13 0.00 0.00 55.73 57.29 2abd s ARG 43 Cb 0.00 -3.55 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2abd s ARG 43 CO 0.00 -0.45 0.02 -2.30 -0.81 0.00 0.00 175.30 171.75 2abd n PRO 44 N 5.19 1.88 -2.52 5.12 -0.02 -1.26 -5.06 135.00 138.32 2abd n PRO 44 Ca 0.11 -0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.43 2abd n PRO 44 Cb 0.46 -1.01 0.02 0.00 -0.02 0.00 0.00 33.50 32.95 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 2.83 2.51 0.00 -1.23 0.00 -1.26 -4.83 105.19 103.21 2abd n GLY 45 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.42 0.00 -1.24 1.61 2.81 -1.26 0.48 117.12 118.10 2abd n MET 46 Ca 0.03 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.62 2abd n MET 46 Cb 0.34 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 32.96 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 -2.00 7.25 -2.02 4.03 4.77 -1.26 -4.72 117.00 123.05 2abd n LEU 47 Ca 0.00 -3.96 -0.10 0.00 -0.03 0.00 0.00 56.01 51.92 2abd n LEU 47 Cb 0.00 -0.94 -0.14 0.00 -2.33 0.00 0.00 43.42 40.02 2abd n LEU 47 CO 0.00 1.31 1.42 -0.67 -1.33 0.00 0.00 177.39 178.13 2abd n ASP 48 N -0.85 4.57 0.00 -1.43 2.03 0.18 -1.68 116.55 119.36 2abd n ASP 48 Ca 0.58 -2.34 0.00 0.00 0.52 0.00 0.00 54.79 53.55 2abd n ASP 48 Cb 0.94 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 2abd n ASP 48 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2abd n PHE 49 N 2.48 0.00 0.51 -0.67 1.16 -1.26 -4.35 117.46 115.33 2abd n PHE 49 Ca 0.34 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 56.04 2abd n PHE 49 Cb 0.77 0.00 0.22 0.00 -1.61 0.00 0.00 39.48 38.86 2abd n PHE 49 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 2abd n LYS 50 N -2.03 2.41 0.06 3.97 4.81 -0.67 -4.64 118.16 122.07 2abd n LYS 50 Ca 0.00 -2.12 0.00 0.00 -0.87 0.00 0.00 58.31 55.32 2abd n LYS 50 Cb 0.38 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.93 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 1.45 -0.10 0.00 3.14 0.00 -1.25 -4.91 105.19 103.52 2abd n GLY 51 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.22 0.00 -0.04 1.61 0.00 -1.26 -1.22 118.16 114.03 2abd n LYS 52 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 2abd n LYS 52 Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.13 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 -2.66 -0.06 -0.00 0.58 0.00 -1.26 0.52 120.51 117.62 2abd n ALA 53 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 2abd n ALA 53 Cb 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.46 -0.38 0.00 6.56 -1.53 0.24 116.57 121.01 2abd h LYS 54 Ca 0.02 0.03 0.05 0.00 -1.06 0.00 0.00 60.65 59.69 2abd h LYS 54 Cb 0.04 0.10 -0.08 0.00 -0.57 0.00 0.00 32.23 31.72 2abd h LYS 54 CO -0.09 -0.30 -0.55 2.35 -2.06 0.00 0.00 179.45 178.79 2abd h TRP 55 N -0.47 -1.69 0.20 -1.35 7.01 -0.07 0.01 115.95 119.58 2abd h TRP 55 Ca 0.08 0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 2abd h TRP 55 Cb 0.61 0.79 0.00 0.00 -2.10 0.00 0.00 29.16 28.46 2abd h TRP 55 CO -0.48 -0.50 -0.10 -0.44 -2.79 0.00 0.00 178.44 174.14 2abd h ASP 56 N -0.42 -0.23 -0.70 2.65 3.32 0.07 0.41 116.42 121.52 2abd h ASP 56 Ca 0.07 -0.11 0.15 0.00 0.02 0.00 0.00 57.03 57.16 2abd h ASP 56 Cb 0.61 0.06 -0.13 0.00 0.22 0.00 0.00 39.33 40.09 2abd h ASP 56 CO -0.58 -0.03 -0.10 0.00 -1.72 0.00 0.00 179.24 176.80 2abd h ALA 57 N 0.34 0.56 0.18 3.45 0.00 -0.16 0.37 119.26 124.00 2abd h ALA 57 Ca -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2abd h ALA 57 Cb 0.32 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2abd h ALA 57 CO 0.05 -0.42 -0.08 2.35 0.00 0.00 0.00 179.25 181.14 2abd h TRP 58 N 0.04 -0.22 -0.80 0.00 7.01 -0.83 -3.27 115.95 117.89 2abd h TRP 58 Ca 0.35 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.51 2abd h TRP 58 Cb 0.57 0.07 -0.15 0.00 -2.10 0.00 0.00 29.16 27.55 2abd h TRP 58 CO -0.49 0.20 -0.20 -0.97 -2.79 0.00 0.00 178.44 174.18 2abd h ASN 59 N -0.83 -0.76 -1.61 2.65 -1.24 0.72 0.56 115.58 115.07 2abd h ASN 59 Ca -0.02 0.24 0.51 0.00 0.71 0.00 0.00 56.30 57.73 2abd h ASN 59 Cb 0.52 0.50 -0.11 0.00 0.73 0.00 0.00 38.32 39.96 2abd h ASN 59 CO 0.04 -0.26 1.10 1.21 -1.29 0.00 0.00 177.43 178.22 2abd n GLU 60 N -5.52 -0.02 0.13 6.67 4.07 0.12 0.22 120.64 126.31 2abd n GLU 60 Ca 0.11 1.15 -0.24 0.00 -0.06 0.00 0.00 57.16 58.12 2abd n GLU 60 Cb 0.40 -2.42 -0.16 0.00 -0.06 0.00 0.00 31.44 29.21 2abd n GLU 60 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2abd h LEU 61 N 0.00 0.79 0.00 4.31 3.38 -1.00 -3.47 115.31 119.31 2abd h LEU 61 Ca 0.89 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2abd h LEU 61 Cb 3.18 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 43.67 2abd h LEU 61 CO -0.26 1.72 0.00 1.17 0.09 0.00 0.00 178.44 181.17 2abd n LYS 62 N -3.71 0.00 0.00 1.13 0.00 0.13 0.90 118.16 116.61 2abd n LYS 62 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.12 2abd n LYS 62 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.12 2abd n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2abd n GLY 63 N 0.00 1.96 3.79 3.14 0.00 -1.26 -4.96 105.19 107.85 2abd n GLY 63 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2abd n GLY 63 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2abd s THR 64 N -2.00 3.64 -1.04 2.61 -1.32 0.26 -4.83 115.64 112.96 2abd s THR 64 Ca 0.00 1.04 -0.27 0.00 -1.21 0.00 0.00 61.69 61.25 2abd s THR 64 Cb 0.00 -3.42 -0.22 0.00 -1.51 0.00 0.00 72.50 67.35 2abd s THR 64 CO 0.00 -0.21 2.16 -0.94 -2.21 0.00 0.00 174.62 173.42 2abd s SER 65 N -1.91 3.47 0.00 8.08 1.04 -1.26 -4.74 113.70 118.38 2abd s SER 65 Ca 0.68 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2abd s SER 65 Cb -0.18 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2abd s SER 65 CO 0.22 -4.67 0.00 0.29 0.98 0.00 0.00 173.24 170.06 2abd n LYS 66 N 8.27 0.00 -0.11 4.02 5.02 -1.26 0.51 118.16 134.60 2abd n LYS 66 Ca 0.42 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.65 2abd n LYS 66 Cb 0.46 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.49 2abd n LYS 66 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2abd h GLU 67 N 0.00 0.32 -0.22 1.97 4.22 -1.92 0.90 114.58 119.86 2abd h GLU 67 Ca 0.00 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.46 2abd h GLU 67 Cb 0.00 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2abd h GLU 67 CO 0.00 0.21 -0.06 -0.44 -2.18 0.00 0.00 179.01 176.55 2abd h ASP 68 N 0.33 -0.21 0.01 1.04 3.32 -0.31 0.15 116.42 120.75 2abd h ASP 68 Ca 0.16 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.30 2abd h ASP 68 Cb 0.10 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 2abd h ASP 68 CO -0.14 -0.07 -0.21 0.00 -1.72 0.00 0.00 179.24 177.10 2abd h ALA 69 N 1.21 -0.27 0.57 3.45 0.00 -1.44 0.19 119.26 122.98 2abd h ALA 69 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2abd h ALA 69 Cb 0.16 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2abd h ALA 69 CO -0.22 -0.70 -0.47 0.52 0.00 0.00 0.00 179.25 178.37 2abd h MET 70 N -0.33 -0.98 -0.10 0.00 2.86 -0.10 0.21 114.93 116.49 2abd h MET 70 Ca 0.06 0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2abd h MET 70 Cb 0.41 0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 2abd h MET 70 CO -0.19 -0.65 -0.12 0.87 1.06 0.00 0.00 176.91 177.89 2abd h LYS 71 N -1.01 -0.07 -0.53 1.72 1.57 -0.52 0.46 116.57 118.19 2abd h LYS 71 Ca -0.07 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2abd h LYS 71 Cb 0.86 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.09 2abd h LYS 71 CO -0.01 -0.05 -0.48 0.00 -0.57 0.00 0.00 179.45 178.35 2abd h ALA 72 N -0.99 -0.50 -0.75 3.86 0.00 -0.59 -1.20 119.26 119.10 2abd h ALA 72 Ca 0.02 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2abd h ALA 72 Cb 0.12 1.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2abd h ALA 72 CO -0.13 -0.91 -0.50 -0.92 0.00 0.00 0.00 179.25 176.78 2abd h TYR 73 N -0.28 -1.60 0.53 0.00 3.20 0.51 0.71 116.97 120.04 2abd h TYR 73 Ca 0.14 0.10 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 2abd h TYR 73 Cb 0.57 0.80 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 2abd h TYR 73 CO -0.72 -0.34 -0.51 0.82 -1.64 0.00 0.00 178.16 175.77 2abd h ILE 74 N -0.07 0.00 -1.03 1.81 2.04 -0.25 0.30 117.51 120.30 2abd h ILE 74 Ca 0.12 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.28 2abd h ILE 74 Cb 0.39 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 2abd h ILE 74 CO -0.74 0.00 0.74 0.44 0.00 0.00 0.00 178.15 178.58 2abd h ASP 75 N -1.03 0.03 -0.00 1.72 5.19 -0.59 0.65 116.42 122.40 2abd h ASP 75 Ca -0.07 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2abd h ASP 75 Cb 0.89 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.40 2abd h ASP 75 CO -0.05 0.01 -0.15 0.29 -3.12 0.00 0.00 179.24 176.22 2abd n LYS 76 N -4.25 1.82 -0.08 3.56 4.01 0.24 -4.14 118.16 119.32 2abd n LYS 76 Ca 0.22 -1.43 -0.22 0.00 -0.51 0.00 0.00 58.31 56.37 2abd n LYS 76 Cb 1.08 -1.47 -0.12 0.00 -0.51 0.00 0.00 35.03 34.01 2abd n LYS 76 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2abd n VAL 77 N 0.66 1.61 -0.26 -0.18 0.31 0.21 -3.74 118.33 116.94 2abd n VAL 77 Ca 0.13 -0.45 0.05 0.00 -0.01 0.00 0.00 64.34 64.06 2abd n VAL 77 Cb 0.51 -1.74 0.15 0.00 -0.91 0.00 0.00 33.84 31.85 2abd n VAL 77 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2abd h GLU 78 N -0.36 0.08 -0.67 5.55 4.22 -1.23 1.00 114.58 123.16 2abd h GLU 78 Ca -0.50 -0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.04 2abd h GLU 78 Cb 1.77 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.89 2abd h GLU 78 CO -0.11 0.05 -0.41 0.93 -2.18 0.00 0.00 179.01 177.30 2abd h GLU 79 N 0.08 -0.15 -0.14 1.92 5.08 -1.74 0.48 114.58 120.12 2abd h GLU 79 Ca 0.41 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.78 2abd h GLU 79 Cb 0.72 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2abd h GLU 79 CO -0.69 -0.10 0.06 -0.07 -1.00 0.00 0.00 179.01 177.20 2abd h LEU 80 N -0.16 0.19 -2.15 1.33 3.38 0.70 0.40 115.31 119.00 2abd h LEU 80 Ca 0.22 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2abd h LEU 80 Cb 0.56 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2abd h LEU 80 CO -0.75 0.29 0.29 0.50 0.09 0.00 0.00 178.44 178.86 2abd h LYS 81 N 0.07 0.00 0.05 1.13 1.63 0.13 0.65 116.57 120.23 2abd h LYS 81 Ca 0.05 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.47 2abd h LYS 81 Cb 0.16 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.74 2abd h LYS 81 CO -0.00 0.00 -2.18 1.63 -3.45 0.00 0.00 179.45 175.45 2abd n LYS 82 N -3.62 0.67 -0.03 1.90 4.76 0.15 -2.56 118.16 119.43 2abd n LYS 82 Ca 0.03 0.25 -0.14 0.00 -2.87 0.00 0.00 58.31 55.58 2abd n LYS 82 Cb 0.42 -1.61 -0.10 0.00 -1.84 0.00 0.00 35.03 31.90 2abd n LYS 82 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2abd h LYS 83 N -0.21 0.21 0.00 1.97 3.64 0.39 -3.40 116.57 119.17 2abd h LYS 83 Ca -0.51 -0.16 -0.30 0.00 -1.27 0.00 0.00 60.65 58.41 2abd h LYS 83 Cb 1.85 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.65 2abd h LYS 83 CO -0.08 0.80 -2.09 0.66 -2.27 0.00 0.00 179.45 176.46 2abd n TYR 84 N -4.57 0.00 0.00 1.91 4.01 0.20 -4.95 117.16 113.75 2abd n TYR 84 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2abd n TYR 84 Cb 0.42 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.72 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 2.45 0.00 0.00 2.72 0.00 0.61 -2.83 105.19 108.14 2abd n GLY 85 Ca -0.35 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.81 2abd n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71