#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab3 n ILE 2 N 0.00 0.56 -2.83 0.52 -0.00 -1.26 -4.93 119.36 111.42 1ab3 n ILE 2 Ca 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.48 1ab3 n ILE 2 Cb 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 39.64 39.02 1ab3 n ILE 2 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1ab3 n THR 3 N -3.16 0.00 0.00 1.39 5.66 -1.26 -4.94 114.28 111.97 1ab3 n THR 3 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1ab3 n THR 3 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1ab3 n THR 3 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ab3 n LYS 4 N 0.00 0.00 -0.42 1.09 5.02 -1.26 -2.57 118.16 120.02 1ab3 n LYS 4 Ca 0.00 0.19 0.04 0.00 -2.02 0.00 0.00 58.31 56.51 1ab3 n LYS 4 Cb 0.00 -0.75 0.20 0.00 -0.02 0.00 0.00 35.03 34.46 1ab3 n LYS 4 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ab3 n GLU 5 N -0.44 2.84 -0.05 1.97 1.02 -1.26 -3.85 120.64 120.88 1ab3 n GLU 5 Ca 0.00 -1.57 0.11 0.00 -0.02 0.00 0.00 57.16 55.68 1ab3 n GLU 5 Cb 0.00 -1.81 0.46 0.00 -0.02 0.00 0.00 31.44 30.06 1ab3 n GLU 5 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ab3 n GLU 6 N 0.35 1.53 0.00 3.49 -0.58 -1.06 -3.85 120.64 120.52 1ab3 n GLU 6 Ca 0.14 -0.79 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 1ab3 n GLU 6 Cb 0.68 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 1ab3 n GLU 6 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1ab3 n LYS 7 N -0.00 2.30 -0.26 3.49 -0.00 -1.24 -4.39 118.16 118.05 1ab3 n LYS 7 Ca 0.16 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.61 1ab3 n LYS 7 Cb 0.26 -0.84 0.41 0.00 -0.00 0.00 0.00 35.03 34.86 1ab3 n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1ab3 h GLN 8 N 0.00 0.60 0.00 -1.58 4.20 -1.75 0.20 115.11 116.79 1ab3 h GLN 8 Ca 0.00 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 1ab3 h GLN 8 Cb 0.69 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1ab3 h GLN 8 CO 0.00 0.40 -0.56 0.87 -0.67 0.00 0.00 178.83 178.87 1ab3 h LYS 9 N 0.62 0.00 0.45 1.46 6.56 -1.85 -1.02 116.57 122.79 1ab3 h LYS 9 Ca 0.46 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 60.02 1ab3 h LYS 9 Cb 0.83 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.49 1ab3 h LYS 9 CO -0.21 0.56 -0.21 0.28 -2.06 0.00 0.00 179.45 177.81 1ab3 h VAL 10 N 0.00 0.55 -0.10 0.50 2.07 -0.86 -2.78 116.25 115.63 1ab3 h VAL 10 Ca -0.01 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1ab3 h VAL 10 Cb 1.18 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1ab3 h VAL 10 CO 0.07 0.04 -0.28 0.16 0.02 0.00 0.00 177.57 177.58 1ab3 h ILE 11 N -0.71 1.40 -1.34 4.57 -2.65 -1.55 -1.37 117.51 115.85 1ab3 h ILE 11 Ca -0.06 -1.60 0.45 0.00 1.03 0.00 0.00 64.86 64.68 1ab3 h ILE 11 Cb 0.52 2.17 -0.12 0.00 -2.05 0.00 0.00 36.82 37.34 1ab3 h ILE 11 CO 0.10 0.47 0.88 0.00 0.03 0.00 0.00 178.15 179.63 1ab3 n GLN 12 N -4.45 -0.03 -0.01 0.16 6.02 -0.39 0.28 117.38 118.97 1ab3 n GLN 12 Ca -0.07 1.12 -0.19 0.00 -0.01 0.00 0.00 57.00 57.84 1ab3 n GLN 12 Cb 0.47 -2.26 -0.14 0.00 1.02 0.00 0.00 30.24 29.33 1ab3 n GLN 12 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1ab3 n GLU 13 N -4.41 0.73 -0.01 -1.09 2.13 -1.05 -4.65 120.64 112.30 1ab3 n GLU 13 Ca 0.37 0.26 -0.01 0.00 0.66 0.00 0.00 57.16 58.45 1ab3 n GLU 13 Cb 1.50 -1.71 -0.00 0.00 0.27 0.00 0.00 31.44 31.49 1ab3 n GLU 13 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 1ab3 h PHE 14 N 0.06 0.00 -2.49 4.31 0.04 0.50 -3.45 116.94 115.90 1ab3 h PHE 14 Ca -0.41 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.83 1ab3 h PHE 14 Cb 2.03 0.00 0.02 0.00 2.20 0.00 0.00 35.95 40.20 1ab3 h PHE 14 CO 0.06 0.00 1.15 0.00 -0.60 0.00 0.00 178.31 178.92 1ab3 s ALA 15 N -2.95 3.65 -0.33 2.45 0.00 0.80 -4.84 121.76 120.54 1ab3 s ALA 15 Ca -0.02 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.25 1ab3 s ALA 15 Cb 0.00 -3.79 0.48 0.00 0.00 0.00 0.00 23.12 19.82 1ab3 s ALA 15 CO 0.03 -1.39 1.63 2.89 0.00 0.00 0.00 175.76 178.91 1ab3 n ARG 16 N 6.74 2.05 -3.75 0.00 0.00 -1.26 -4.15 116.66 116.28 1ab3 n ARG 16 Ca 0.18 -2.13 -0.05 0.00 -0.00 0.00 0.00 57.85 55.85 1ab3 n ARG 16 Cb 0.40 -1.85 -0.02 0.00 -0.00 0.00 0.00 32.46 31.00 1ab3 n ARG 16 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ab3 s PHE 17 N -2.32 -0.19 -2.00 2.89 0.08 -1.26 -4.94 117.98 110.24 1ab3 s PHE 17 Ca 0.40 -0.15 0.22 0.00 0.12 0.00 0.00 56.93 57.52 1ab3 s PHE 17 Cb 0.33 0.65 1.31 0.00 -0.57 0.00 0.00 43.02 44.74 1ab3 s PHE 17 CO 0.08 -0.94 1.70 -0.35 -0.10 0.00 0.00 175.22 175.61 1ab3 n PRO 18 N -0.45 0.74 0.00 0.24 -0.04 -1.26 -2.75 135.00 131.49 1ab3 n PRO 18 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ab3 n PRO 18 Cb 0.60 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1ab3 n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ab3 n GLY 19 N 0.47 -0.30 1.18 0.55 0.00 -1.26 -4.76 105.19 101.06 1ab3 n GLY 19 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 1ab3 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ab3 n ASP 20 N -0.03 3.35 0.07 1.61 9.92 -1.11 -3.66 116.55 126.70 1ab3 n ASP 20 Ca 0.00 -2.44 0.06 0.00 -0.53 0.00 0.00 54.79 51.88 1ab3 n ASP 20 Cb 0.29 -0.57 -0.04 0.00 -0.64 0.00 0.00 41.12 40.17 1ab3 n ASP 20 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1ab3 n THR 21 N 0.36 0.88 1.10 -3.53 5.66 -1.26 -3.69 114.28 113.79 1ab3 n THR 21 Ca 0.14 -0.62 0.12 0.00 -3.05 0.00 0.00 64.05 60.65 1ab3 n THR 21 Cb 0.71 -0.52 0.17 0.00 -1.55 0.00 0.00 70.33 69.13 1ab3 n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ab3 n GLY 22 N 1.28 -0.56 3.14 1.09 0.00 -1.24 -4.51 105.19 104.39 1ab3 n GLY 22 Ca -0.05 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 1ab3 n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ab3 n SER 23 N -0.70 -3.10 0.08 1.61 3.41 -1.24 -4.83 113.62 108.86 1ab3 n SER 23 Ca 0.09 -0.44 -0.01 0.00 -0.26 0.00 0.00 58.87 58.25 1ab3 n SER 23 Cb 0.38 -0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 63.40 1ab3 n SER 23 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1ab3 h THR 24 N -2.81 0.96 -0.08 6.66 2.02 -1.92 -3.23 112.91 114.51 1ab3 h THR 24 Ca -0.36 -2.46 -0.02 0.00 0.77 0.00 0.00 66.41 64.34 1ab3 h THR 24 Cb 1.04 2.42 -0.00 0.00 -1.74 0.00 0.00 68.15 69.87 1ab3 h THR 24 CO 0.24 0.55 -0.03 -0.33 0.37 0.00 0.00 175.52 176.32 1ab3 h GLU 25 N 0.00 0.16 -0.86 6.66 5.08 -1.92 -1.73 114.58 121.97 1ab3 h GLU 25 Ca -0.06 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1ab3 h GLU 25 Cb 1.56 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.75 1ab3 h GLU 25 CO 0.08 0.51 0.54 0.28 -1.00 0.00 0.00 179.01 179.42 1ab3 h VAL 26 N -0.19 1.10 -0.38 3.13 2.07 -1.81 -2.21 116.25 117.97 1ab3 h VAL 26 Ca 0.02 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1ab3 h VAL 26 Cb 0.45 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1ab3 h VAL 26 CO 0.01 0.19 0.00 0.06 0.02 0.00 0.00 177.57 177.85 1ab3 h GLN 27 N 1.03 0.66 -1.03 1.57 3.07 -1.56 -1.78 115.11 117.08 1ab3 h GLN 27 Ca 0.35 -0.21 0.28 0.00 0.09 0.00 0.00 58.65 59.16 1ab3 h GLN 27 Cb 0.07 -0.06 -0.06 0.00 0.08 0.00 0.00 27.48 27.50 1ab3 h GLN 27 CO -0.14 0.76 0.71 0.28 0.09 0.00 0.00 178.83 180.53 1ab3 h VAL 28 N 0.48 0.52 -0.31 1.86 2.07 -0.70 0.88 116.25 121.05 1ab3 h VAL 28 Ca 0.11 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 1ab3 h VAL 28 Cb 0.46 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1ab3 h VAL 28 CO 0.02 0.04 -0.14 0.00 0.02 0.00 0.00 177.57 177.51 1ab3 h ALA 29 N 1.54 0.43 0.00 1.67 0.00 -0.99 -1.68 119.26 120.25 1ab3 h ALA 29 Ca 0.53 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ab3 h ALA 29 Cb 1.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1ab3 h ALA 29 CO -0.14 0.32 0.00 1.47 0.00 0.00 0.00 179.25 180.90 1ab3 n LEU 30 N -4.40 0.44 0.08 0.00 -0.00 0.27 -1.85 117.00 111.55 1ab3 n LEU 30 Ca -0.03 0.62 -0.03 0.00 -0.00 0.00 0.00 56.01 56.57 1ab3 n LEU 30 Cb 0.37 -0.57 0.21 0.00 -0.00 0.00 0.00 43.42 43.43 1ab3 n LEU 30 CO 0.42 -0.50 0.64 0.17 -0.00 0.00 0.00 177.39 178.12 1ab3 h LEU 31 N 0.00 0.29 -0.06 1.47 8.10 0.35 -2.83 115.31 122.63 1ab3 h LEU 31 Ca 0.00 -0.12 -0.25 0.00 0.11 0.00 0.00 57.88 57.61 1ab3 h LEU 31 Cb 0.29 -0.08 0.02 0.00 -0.44 0.00 0.00 40.66 40.44 1ab3 h LEU 31 CO 0.00 0.67 -0.96 0.00 -4.11 0.00 0.00 178.44 174.04 1ab3 h THR 32 N 0.24 1.29 0.50 0.15 1.03 -1.35 -3.16 112.91 111.61 1ab3 h THR 32 Ca 0.02 -2.18 -0.01 0.00 -0.01 0.00 0.00 66.41 64.23 1ab3 h THR 32 Cb 0.82 2.27 -0.02 0.00 -1.07 0.00 0.00 68.15 70.15 1ab3 h THR 32 CO 0.06 0.68 -0.45 -0.07 -0.01 0.00 0.00 175.52 175.73 1ab3 h LEU 33 N 0.43 -1.21 -1.65 0.00 3.38 -1.50 0.46 115.31 115.21 1ab3 h LEU 33 Ca -0.10 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ab3 h LEU 33 Cb 1.61 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1ab3 h LEU 33 CO 0.19 -0.62 0.18 0.03 0.09 0.00 0.00 178.44 178.31 1ab3 h ARG 34 N -0.95 0.00 0.01 1.13 3.08 -1.60 -1.13 114.38 114.92 1ab3 h ARG 34 Ca -0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ab3 h ARG 34 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1ab3 h ARG 34 CO -0.03 0.00 -0.01 0.82 -1.07 0.00 0.00 179.97 179.68 1ab3 h ILE 35 N 0.00 1.45 -0.81 2.04 5.03 -0.90 -2.65 117.51 121.66 1ab3 h ILE 35 Ca 0.00 -1.97 -0.01 0.00 -0.12 0.00 0.00 64.86 62.76 1ab3 h ILE 35 Cb 0.36 2.69 -0.04 0.00 -3.03 0.00 0.00 36.82 36.80 1ab3 h ILE 35 CO 0.00 0.47 0.47 0.78 -0.68 0.00 0.00 178.15 179.19 1ab3 h ASN 36 N -0.95 0.99 -0.16 1.72 2.35 -0.29 -0.88 115.58 118.37 1ab3 h ASN 36 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1ab3 h ASN 36 Cb 0.79 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1ab3 h ASN 36 CO 0.00 0.79 0.00 -1.14 -1.65 0.00 0.00 177.43 175.43 1ab3 n ARG 37 N -4.43 1.38 0.04 0.81 0.63 -0.75 -3.21 116.66 111.12 1ab3 n ARG 37 Ca 0.08 -0.57 0.03 0.00 -0.92 0.00 0.00 57.85 56.47 1ab3 n ARG 37 Cb 0.08 -1.14 -0.07 0.00 0.45 0.00 0.00 32.46 31.77 1ab3 n ARG 37 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1ab3 n LEU 38 N -0.04 0.76 -0.41 6.15 -0.00 -0.34 -2.07 117.00 121.05 1ab3 n LEU 38 Ca 0.05 0.32 0.04 0.00 -0.00 0.00 0.00 56.01 56.43 1ab3 n LEU 38 Cb 0.14 0.06 0.13 0.00 -0.00 0.00 0.00 43.42 43.75 1ab3 n LEU 38 CO 0.04 0.08 0.60 -0.24 -0.00 0.00 0.00 177.39 177.87 1ab3 n SER 39 N -2.79 1.20 -0.70 1.96 2.88 -1.20 -3.89 113.62 111.08 1ab3 n SER 39 Ca -0.08 -1.97 -0.03 0.00 -1.33 0.00 0.00 58.87 55.46 1ab3 n SER 39 Cb 0.78 -0.14 -0.03 0.00 -0.75 0.00 0.00 64.21 64.06 1ab3 n SER 39 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ab3 n GLU 40 N 0.14 0.00 0.21 -1.46 1.02 -1.25 -4.93 120.64 114.38 1ab3 n GLU 40 Ca 0.08 -0.45 0.05 0.00 -0.02 0.00 0.00 57.16 56.82 1ab3 n GLU 40 Cb 0.19 0.25 0.46 0.00 -0.02 0.00 0.00 31.44 32.32 1ab3 n GLU 40 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 1ab3 h HIS 41 N 0.00 0.00 0.00 -0.32 2.07 -1.53 -1.64 115.15 113.73 1ab3 h HIS 41 Ca -0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.27 1ab3 h HIS 41 Cb 1.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.09 1ab3 h HIS 41 CO -0.22 0.25 0.00 1.28 -3.07 0.00 0.00 177.93 176.17 1ab3 n LEU 42 N -4.20 0.00 -0.66 6.12 4.32 -1.26 -1.71 117.00 119.62 1ab3 n LEU 42 Ca -0.02 0.28 0.02 0.00 -0.02 0.00 0.00 56.01 56.27 1ab3 n LEU 42 Cb 0.31 -0.28 0.08 0.00 -1.62 0.00 0.00 43.42 41.90 1ab3 n LEU 42 CO 0.37 -0.19 0.41 0.29 -1.22 0.00 0.00 177.39 177.05 1ab3 n LYS 43 N -1.28 1.66 0.00 3.23 4.76 -0.62 -4.04 118.16 121.87 1ab3 n LYS 43 Ca 0.04 -0.59 0.00 0.00 -2.87 0.00 0.00 58.31 54.90 1ab3 n LYS 43 Cb 0.07 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 1ab3 n LYS 43 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ab3 n VAL 44 N 0.08 0.00 -1.69 -0.18 0.31 -0.99 -5.09 118.33 110.76 1ab3 n VAL 44 Ca 0.05 0.00 -0.61 0.00 -0.01 0.00 0.00 64.34 63.78 1ab3 n VAL 44 Cb 0.37 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.21 1ab3 n VAL 44 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1ab3 n HIS 45 N -1.42 1.90 1.61 3.52 8.25 -0.69 -4.76 115.22 123.63 1ab3 n HIS 45 Ca 0.00 0.73 0.11 0.00 -0.26 0.00 0.00 57.72 58.29 1ab3 n HIS 45 Cb 0.00 -2.38 0.65 0.00 1.12 0.00 0.00 29.99 29.37 1ab3 n HIS 45 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ab3 n LYS 46 N 5.21 0.80 -2.06 -0.41 5.02 -1.26 -4.01 118.16 121.45 1ab3 n LYS 46 Ca 0.30 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.57 1ab3 n LYS 46 Cb 0.07 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 1ab3 n LYS 46 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ab3 n LYS 47 N -0.92 0.21 -0.32 1.97 2.85 -1.26 -5.00 118.16 115.68 1ab3 n LYS 47 Ca 0.16 -0.39 0.14 0.00 -1.05 0.00 0.00 58.31 57.17 1ab3 n LYS 47 Cb 0.07 0.04 0.37 0.00 -0.65 0.00 0.00 35.03 34.86 1ab3 n LYS 47 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1ab3 h ASP 48 N 0.54 0.70 -0.27 -5.58 3.04 -1.95 -3.45 116.42 109.45 1ab3 h ASP 48 Ca -0.27 0.08 -0.12 0.00 -3.24 0.00 0.00 57.03 53.48 1ab3 h ASP 48 Cb 1.12 -0.05 -0.05 0.00 -1.04 0.00 0.00 39.33 39.31 1ab3 h ASP 48 CO -0.10 0.27 -0.11 1.41 -2.04 0.00 0.00 179.24 178.68 1ab3 n HIS 49 N -4.67 0.00 -1.61 4.15 8.25 -1.26 -2.31 115.22 117.77 1ab3 n HIS 49 Ca 0.22 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.59 1ab3 n HIS 49 Cb 0.58 -1.43 -0.03 0.00 1.12 0.00 0.00 29.99 30.24 1ab3 n HIS 49 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ab3 n HIS 50 N -2.69 -0.16 0.00 4.41 8.25 -1.26 -5.00 115.22 118.77 1ab3 n HIS 50 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1ab3 n HIS 50 Cb 0.26 -2.00 0.00 0.00 1.12 0.00 0.00 29.99 29.37 1ab3 n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ab3 n SER 51 N 0.42 -0.89 0.00 0.41 2.88 -0.98 -5.00 113.62 110.46 1ab3 n SER 51 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1ab3 n SER 51 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1ab3 n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ab3 n HIS 52 N -1.95 0.00 0.28 0.66 1.44 -1.26 -4.98 115.22 109.41 1ab3 n HIS 52 Ca 0.00 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.80 1ab3 n HIS 52 Cb 0.00 0.00 0.41 0.00 0.12 0.00 0.00 29.99 30.52 1ab3 n HIS 52 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 1ab3 n ARG 53 N 0.00 0.11 -0.05 -1.40 1.85 -1.26 -1.76 116.66 114.15 1ab3 n ARG 53 Ca 0.00 0.47 0.04 0.00 -1.00 0.00 0.00 57.85 57.36 1ab3 n ARG 53 Cb 0.00 -1.77 0.06 0.00 -1.05 0.00 0.00 32.46 29.70 1ab3 n ARG 53 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ab3 n GLY 54 N -0.65 3.46 0.00 2.89 0.00 -1.26 -4.61 105.19 105.02 1ab3 n GLY 54 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1ab3 n GLY 54 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ab3 n LEU 55 N -0.86 0.00 -0.53 0.99 -0.00 -0.72 -4.04 117.00 111.83 1ab3 n LEU 55 Ca 0.07 0.00 0.45 0.00 -0.00 0.00 0.00 56.01 56.53 1ab3 n LEU 55 Cb 0.45 0.00 0.77 0.00 -0.00 0.00 0.00 43.42 44.64 1ab3 n LEU 55 CO 0.00 -0.56 1.42 -0.07 -0.00 0.00 0.00 177.39 178.18 1ab3 h LEU 56 N 0.00 0.00 -0.36 -1.96 3.38 -1.96 -0.20 115.31 114.21 1ab3 h LEU 56 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1ab3 h LEU 56 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1ab3 h LEU 56 CO 0.00 0.00 -0.48 0.24 0.09 0.00 0.00 178.44 178.29 1ab3 h MET 57 N 0.00 -0.32 0.00 1.13 2.86 -1.90 0.59 114.93 117.29 1ab3 h MET 57 Ca 0.77 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 58.41 1ab3 h MET 57 Cb 3.18 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 34.91 1ab3 h MET 57 CO -0.01 -0.21 -0.11 1.98 1.06 0.00 0.00 176.91 179.62 1ab3 h MET 58 N -0.33 0.00 0.00 1.72 4.05 -1.17 -1.25 114.93 117.94 1ab3 h MET 58 Ca 0.06 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1ab3 h MET 58 Cb 0.50 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1ab3 h MET 58 CO -0.51 0.11 -0.12 0.28 0.23 0.00 0.00 176.91 176.90 1ab3 h VAL 59 N 0.00 0.45 -0.07 -5.77 2.07 0.23 -1.32 116.25 111.84 1ab3 h VAL 59 Ca -0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1ab3 h VAL 59 Cb 0.28 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1ab3 h VAL 59 CO 0.01 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1ab3 n GLY 60 N -0.48 -0.63 1.41 2.17 0.00 -0.15 -3.57 105.19 103.94 1ab3 n GLY 60 Ca -0.01 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.91 1ab3 n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ab3 n GLN 61 N -0.32 3.08 0.00 1.61 3.00 -0.50 -4.01 117.38 120.25 1ab3 n GLN 61 Ca 0.05 -1.88 0.00 0.00 -0.01 0.00 0.00 57.00 55.16 1ab3 n GLN 61 Cb 0.08 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.40 1ab3 n GLN 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ab3 n ARG 62 N 0.23 0.23 0.07 -1.09 1.74 -1.23 -4.13 116.66 112.47 1ab3 n ARG 62 Ca 0.20 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.34 1ab3 n ARG 62 Cb 0.89 -0.57 0.29 0.00 -1.02 0.00 0.00 32.46 32.04 1ab3 n ARG 62 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ab3 n ARG 63 N -1.28 0.07 -0.62 5.56 3.00 -1.26 -3.21 116.66 118.92 1ab3 n ARG 63 Ca 0.00 0.50 -0.02 0.00 -0.00 0.00 0.00 57.85 58.33 1ab3 n ARG 63 Cb 0.07 -1.69 -0.02 0.00 0.00 0.00 0.00 32.46 30.83 1ab3 n ARG 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ab3 n ARG 64 N -1.82 0.00 0.12 -0.14 1.74 -1.26 -4.91 116.66 110.38 1ab3 n ARG 64 Ca 0.00 -0.25 0.09 0.00 -0.77 0.00 0.00 57.85 56.92 1ab3 n ARG 64 Cb 0.06 0.11 0.45 0.00 -1.02 0.00 0.00 32.46 32.06 1ab3 n ARG 64 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ab3 n LEU 65 N 0.00 0.46 0.20 0.55 -0.00 -1.20 -1.86 117.00 115.15 1ab3 n LEU 65 Ca -0.06 0.68 0.05 0.00 -0.00 0.00 0.00 56.01 56.68 1ab3 n LEU 65 Cb 0.55 -0.70 0.52 0.00 -0.00 0.00 0.00 43.42 43.79 1ab3 n LEU 65 CO -0.03 -0.74 0.97 0.17 -0.00 0.00 0.00 177.39 177.76 1ab3 h LEU 66 N 0.00 0.08 -1.65 -1.96 -0.00 -1.90 -1.67 115.31 108.20 1ab3 h LEU 66 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1ab3 h LEU 66 Cb 0.10 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1ab3 h LEU 66 CO 0.00 0.18 0.26 0.08 -0.00 0.00 0.00 178.44 178.96 1ab3 h ARG 67 N 0.09 0.00 0.00 0.17 0.11 -1.74 0.33 114.38 113.34 1ab3 h ARG 67 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1ab3 h ARG 67 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1ab3 h ARG 67 CO 0.01 0.00 0.00 0.98 0.10 0.00 0.00 179.97 181.06 1ab3 n TYR 68 N -2.57 0.00 0.19 4.08 4.19 -0.63 -4.30 117.16 118.12 1ab3 n TYR 68 Ca -0.02 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.12 1ab3 n TYR 68 Cb 0.30 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 40.09 1ab3 n TYR 68 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1ab3 h LEU 69 N 0.00 -0.42 -1.47 2.98 5.85 -1.61 -0.95 115.31 119.69 1ab3 h LEU 69 Ca 0.00 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.90 1ab3 h LEU 69 Cb 0.00 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1ab3 h LEU 69 CO 0.00 -0.26 0.77 -0.61 -0.34 0.00 0.00 178.44 178.00 1ab3 h GLN 70 N -0.59 0.00 0.22 1.25 -0.00 -1.56 0.35 115.11 114.78 1ab3 h GLN 70 Ca -0.05 0.00 -0.33 0.00 -0.00 0.00 0.00 58.65 58.27 1ab3 h GLN 70 Cb 0.38 0.00 0.03 0.00 0.00 0.00 0.00 27.48 27.89 1ab3 h GLN 70 CO 0.08 0.00 -1.48 0.00 0.00 0.00 0.00 178.83 177.44 1ab3 h ARG 71 N 0.00 0.47 -0.62 1.69 2.47 0.05 -3.26 114.38 115.18 1ab3 h ARG 71 Ca 0.26 -0.80 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 1ab3 h ARG 71 Cb 1.80 0.30 0.00 0.00 -1.65 0.00 0.00 29.97 30.42 1ab3 h ARG 71 CO -0.00 1.38 0.00 0.39 0.56 0.00 0.00 179.97 182.30 1ab3 n GLU 72 N -3.66 1.85 0.00 0.04 1.02 0.12 -4.73 120.64 115.28 1ab3 n GLU 72 Ca -0.16 -0.82 0.00 0.00 -0.02 0.00 0.00 57.16 56.15 1ab3 n GLU 72 Cb 1.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 1ab3 n GLU 72 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ab3 n ASP 73 N 0.15 0.00 0.16 1.62 5.68 -0.99 -5.01 116.55 118.16 1ab3 n ASP 73 Ca 0.07 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.40 1ab3 n ASP 73 Cb 0.38 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.55 1ab3 n ASP 73 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1ab3 h PRO 74 N 0.00 0.00 0.00 0.11 0.13 -1.84 -2.65 132.00 127.76 1ab3 h PRO 74 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ab3 h PRO 74 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ab3 h PRO 74 CO 0.00 0.46 0.00 1.05 -0.23 0.00 0.00 178.00 179.28 1ab3 h GLU 75 N 0.00 0.00 0.00 0.86 4.11 -1.95 -2.06 114.58 115.54 1ab3 h GLU 75 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1ab3 h GLU 75 Cb 1.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1ab3 h GLU 75 CO 0.06 0.00 -1.16 0.00 0.07 0.00 0.00 179.01 177.98 1ab3 h ARG 76 N 0.00 0.00 -1.87 1.06 2.47 -1.81 -3.34 114.38 110.88 1ab3 h ARG 76 Ca 0.00 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.48 1ab3 h ARG 76 Cb 0.46 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.68 1ab3 h ARG 76 CO 0.00 0.22 0.09 0.98 0.56 0.00 0.00 179.97 181.82 1ab3 n TYR 77 N -2.87 0.73 -2.04 3.04 9.36 -0.77 -3.64 117.16 120.96 1ab3 n TYR 77 Ca -0.05 -1.58 -0.01 0.00 3.32 0.00 0.00 57.90 59.58 1ab3 n TYR 77 Cb 0.74 -1.08 -0.01 0.00 -0.63 0.00 0.00 39.34 38.35 1ab3 n TYR 77 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1ab3 n ARG 78 N 1.33 0.00 0.13 2.98 -4.01 -1.25 -4.90 116.66 110.93 1ab3 n ARG 78 Ca 0.29 -0.57 0.00 0.00 -1.04 0.00 0.00 57.85 56.53 1ab3 n ARG 78 Cb 0.64 -0.03 0.00 0.00 -3.04 0.00 0.00 32.46 30.03 1ab3 n ARG 78 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1ab3 n ALA 79 N 0.04 3.00 0.83 2.89 0.00 -1.24 -4.77 120.51 121.26 1ab3 n ALA 79 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1ab3 n ALA 79 Cb 0.63 0.05 0.42 0.00 0.00 0.00 0.00 19.45 20.55 1ab3 n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ab3 n LEU 80 N -3.48 0.00 0.08 0.00 4.32 -1.26 -1.79 117.00 114.88 1ab3 n LEU 80 Ca 0.00 0.18 -0.09 0.00 -0.02 0.00 0.00 56.01 56.08 1ab3 n LEU 80 Cb 0.00 -0.18 -0.04 0.00 -1.62 0.00 0.00 43.42 41.57 1ab3 n LEU 80 CO 0.00 -0.09 0.19 0.16 -1.22 0.00 0.00 177.39 176.43 1ab3 h ILE 81 N 0.00 1.54 -0.01 -0.08 -0.00 -1.87 -2.98 117.51 114.11 1ab3 h ILE 81 Ca 0.00 -2.83 0.00 0.00 -0.00 0.00 0.00 64.86 62.03 1ab3 h ILE 81 Cb 0.09 2.60 0.00 0.00 -0.00 0.00 0.00 36.82 39.52 1ab3 h ILE 81 CO 0.00 0.82 -0.30 1.21 -0.00 0.00 0.00 178.15 179.88 1ab3 n GLU 82 N -3.58 0.85 -0.62 0.16 2.13 -0.74 -3.84 120.64 115.00 1ab3 n GLU 82 Ca -0.03 -0.54 0.06 0.00 0.66 0.00 0.00 57.16 57.30 1ab3 n GLU 82 Cb 0.86 -1.49 0.21 0.00 0.27 0.00 0.00 31.44 31.29 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ab3 n LYS 83 N -0.60 1.58 0.04 5.31 4.76 -1.16 -4.87 118.16 123.23 1ab3 n LYS 83 Ca 0.11 -3.30 0.00 0.00 -2.87 0.00 0.00 58.31 52.26 1ab3 n LYS 83 Cb 0.36 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1ab3 n LYS 83 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ab3 n LEU 84 N -1.10 -0.34 0.00 -0.35 4.77 -1.14 -4.98 117.00 113.87 1ab3 n LEU 84 Ca 0.19 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1ab3 n LEU 84 Cb 0.70 0.47 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 1ab3 n LEU 84 CO -0.04 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 1ab3 n GLY 85 N 0.60 -0.09 0.00 -0.72 0.00 -1.26 -5.11 105.19 98.62 1ab3 n GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ab3 n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ab3 n ILE 86 N 0.00 0.00 0.00 -0.61 0.13 -1.25 -5.01 119.36 112.62 1ab3 n ILE 86 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1ab3 n ILE 86 Cb 0.00 -0.23 0.00 0.00 -0.84 0.00 0.00 39.64 38.57 1ab3 n ILE 86 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1ab3 n ARG 87 N -0.16 0.00 0.00 9.51 5.12 -1.26 -5.03 116.66 124.85 1ab3 n ARG 87 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ab3 n ARG 87 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1ab3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11