#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 0.00 -3.07 4.25 5.41 -1.26 -4.93 119.36 119.76 1ab3 n ILE 2 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1ab3 n ILE 2 Cb 0.00 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 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 -4.04 0.00 0.00 1.39 5.66 -1.26 -4.93 114.28 111.09 1ab3 n THR 3 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1ab3 n THR 3 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 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 -0.34 1.09 5.02 -1.26 -3.03 118.16 119.64 1ab3 n LYS 4 Ca 0.00 0.25 0.03 0.00 -2.02 0.00 0.00 58.31 56.58 1ab3 n LYS 4 Cb 0.00 -1.14 0.16 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.07 2.47 -0.01 1.97 4.71 -1.26 -3.77 120.64 123.68 1ab3 n GLU 5 Ca 0.00 -1.29 0.13 0.00 -0.01 0.00 0.00 57.16 56.00 1ab3 n GLU 5 Cb 0.00 -1.72 0.62 0.00 -1.01 0.00 0.00 31.44 29.33 1ab3 n GLU 5 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ab3 n GLU 6 N 0.29 1.43 0.00 3.49 -0.58 -1.17 -3.57 120.64 120.53 1ab3 n GLU 6 Ca 0.11 -0.63 0.00 0.00 -0.42 0.00 0.00 57.16 56.22 1ab3 n GLU 6 Cb 0.58 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1ab3 n GLU 6 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ab3 n LYS 7 N -0.21 1.03 -0.23 3.49 4.76 -1.25 -4.45 118.16 121.29 1ab3 n LYS 7 Ca 0.19 -0.09 0.27 0.00 -2.87 0.00 0.00 58.31 55.81 1ab3 n LYS 7 Cb 0.26 -0.44 0.66 0.00 -1.84 0.00 0.00 35.03 33.67 1ab3 n LYS 7 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 1ab3 h GLN 8 N 0.00 0.12 0.00 1.97 -0.00 -1.74 -3.37 115.11 112.09 1ab3 h GLN 8 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1ab3 h GLN 8 Cb 0.17 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.62 1ab3 h GLN 8 CO 0.00 0.08 0.00 1.63 -0.00 0.00 0.00 178.83 180.54 1ab3 n LYS 9 N -4.35 0.00 0.00 0.06 5.02 -1.26 -5.05 118.16 112.58 1ab3 n LYS 9 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1ab3 n LYS 9 Cb 0.95 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.96 1ab3 n LYS 9 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ab3 n VAL 10 N 0.00 0.00 -0.03 -0.18 0.31 -1.26 -4.31 118.33 112.86 1ab3 n VAL 10 Ca 0.00 0.40 -0.15 0.00 -0.01 0.00 0.00 64.34 64.58 1ab3 n VAL 10 Cb 0.00 -1.31 -0.12 0.00 -0.91 0.00 0.00 33.84 31.50 1ab3 n VAL 10 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1ab3 h ILE 11 N 0.00 1.58 -1.60 2.52 -2.65 -1.90 -1.07 117.51 114.40 1ab3 h ILE 11 Ca 0.00 -2.01 0.51 0.00 1.03 0.00 0.00 64.86 64.39 1ab3 h ILE 11 Cb 0.00 2.87 -0.11 0.00 -2.05 0.00 0.00 36.82 37.53 1ab3 h ILE 11 CO 0.00 0.54 1.09 0.00 0.03 0.00 0.00 178.15 179.81 1ab3 n GLN 12 N -4.52 -0.02 -0.01 0.16 10.64 -1.26 0.27 117.38 122.64 1ab3 n GLN 12 Ca -0.10 1.14 -0.19 0.00 -1.83 0.00 0.00 57.00 56.02 1ab3 n GLN 12 Cb 0.50 -2.41 -0.14 0.00 -0.86 0.00 0.00 30.24 27.34 1ab3 n GLN 12 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1ab3 n GLU 13 N -4.30 0.74 -0.02 2.61 2.13 -1.20 -4.64 120.64 115.96 1ab3 n GLU 13 Ca 0.41 0.25 -0.01 0.00 0.66 0.00 0.00 57.16 58.48 1ab3 n GLU 13 Cb 1.72 -1.70 -0.00 0.00 0.27 0.00 0.00 31.44 31.72 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 -1.42 4.31 0.04 0.51 -3.46 116.94 116.98 1ab3 h PHE 14 Ca -0.42 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 59.68 1ab3 h PHE 14 Cb 2.03 0.00 0.10 0.00 2.20 0.00 0.00 35.95 40.27 1ab3 h PHE 14 CO 0.06 0.00 -0.20 0.00 -0.60 0.00 0.00 178.31 177.58 1ab3 n ALA 15 N -2.48 -2.18 -0.25 2.45 0.00 0.77 -4.60 120.51 114.23 1ab3 n ALA 15 Ca -0.01 0.46 -0.02 0.00 0.00 0.00 0.00 53.44 53.87 1ab3 n ALA 15 Cb 0.05 -1.77 0.21 0.00 0.00 0.00 0.00 19.45 17.93 1ab3 n ALA 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ab3 n ARG 16 N 1.14 2.93 -3.66 0.00 0.63 -1.18 -4.62 116.66 111.90 1ab3 n ARG 16 Ca 0.16 -1.94 0.03 0.00 -0.92 0.00 0.00 57.85 55.18 1ab3 n ARG 16 Cb 0.24 -1.91 0.00 0.00 0.45 0.00 0.00 32.46 31.24 1ab3 n ARG 16 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1ab3 s PHE 17 N -2.09 -0.01 -1.43 -0.14 0.08 -1.26 -4.83 117.98 108.31 1ab3 s PHE 17 Ca 0.35 -0.03 0.14 0.00 0.12 0.00 0.00 56.93 57.50 1ab3 s PHE 17 Cb 0.27 0.52 0.71 0.00 -0.57 0.00 0.00 43.02 43.96 1ab3 s PHE 17 CO 0.09 -0.11 1.38 -0.35 -0.10 0.00 0.00 175.22 176.13 1ab3 n PRO 18 N -0.59 0.20 0.00 0.24 -0.04 -1.26 -2.33 135.00 131.23 1ab3 n PRO 18 Ca -0.07 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1ab3 n PRO 18 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.08 -0.21 1.82 0.55 0.00 -1.26 -4.80 105.19 101.21 1ab3 n GLY 19 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 5.05 0.03 1.61 9.92 -0.98 -4.05 116.55 128.09 1ab3 n ASP 20 Ca 0.00 -3.03 -0.04 0.00 -0.53 0.00 0.00 54.79 51.19 1ab3 n ASP 20 Cb 0.27 -0.87 -0.10 0.00 -0.64 0.00 0.00 41.12 39.79 1ab3 n ASP 20 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1ab3 h THR 21 N 0.78 0.77 -0.13 -3.53 1.35 -1.87 -3.13 112.91 107.15 1ab3 h THR 21 Ca 0.35 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 1ab3 h THR 21 Cb 1.46 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 70.16 1ab3 h THR 21 CO 0.75 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 177.07 1ab3 n GLY 22 N 1.43 0.19 1.16 5.82 0.00 -1.26 -4.39 105.19 108.14 1ab3 n GLY 22 Ca -0.10 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 0.26 -2.77 0.15 1.61 3.41 -1.22 -4.83 113.62 110.23 1ab3 n SER 23 Ca 0.17 -0.32 0.09 0.00 -0.26 0.00 0.00 58.87 58.55 1ab3 n SER 23 Cb 0.33 -0.36 0.07 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.59 0.21 0.32 6.66 2.02 -1.90 -3.22 112.91 114.41 1ab3 h THR 24 Ca -0.14 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 1ab3 h THR 24 Cb 0.48 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1ab3 h THR 24 CO 0.09 0.12 -0.16 -0.33 0.37 0.00 0.00 175.52 175.61 1ab3 h GLU 25 N 0.00 -0.42 -0.97 6.66 5.08 -1.90 -1.61 114.58 121.41 1ab3 h GLU 25 Ca -0.02 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.62 1ab3 h GLU 25 Cb 1.13 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1ab3 h GLU 25 CO 0.02 -0.28 0.66 0.28 -1.00 0.00 0.00 179.01 178.69 1ab3 h VAL 26 N -0.78 0.57 -0.11 3.13 2.07 -1.79 0.85 116.25 120.18 1ab3 h VAL 26 Ca -0.04 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1ab3 h VAL 26 Cb 0.33 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1ab3 h VAL 26 CO 0.07 0.04 -0.07 1.56 0.02 0.00 0.00 177.57 179.20 1ab3 h GLN 27 N 0.24 0.25 -1.15 1.57 4.20 -1.56 -2.36 115.11 116.30 1ab3 h GLN 27 Ca 0.50 -0.11 0.32 0.00 0.06 0.00 0.00 58.65 59.42 1ab3 h GLN 27 Cb 1.55 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.25 1ab3 h GLN 27 CO -0.14 0.61 0.78 0.28 -0.67 0.00 0.00 178.83 179.69 1ab3 h VAL 28 N -0.12 0.42 -0.23 -0.54 2.07 0.19 1.05 116.25 119.09 1ab3 h VAL 28 Ca 0.02 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 1ab3 h VAL 28 Cb 0.54 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1ab3 h VAL 28 CO 0.02 0.03 -0.16 0.00 0.02 0.00 0.00 177.57 177.48 1ab3 h ALA 29 N 1.52 0.34 0.00 1.67 0.00 -1.11 -1.89 119.26 119.78 1ab3 h ALA 29 Ca 0.61 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ab3 h ALA 29 Cb 1.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1ab3 h ALA 29 CO -0.18 0.23 0.00 1.47 0.00 0.00 0.00 179.25 180.78 1ab3 n LEU 30 N -4.45 0.00 0.10 0.00 -0.00 0.32 -1.95 117.00 111.03 1ab3 n LEU 30 Ca -0.04 0.49 -0.04 0.00 -0.00 0.00 0.00 56.01 56.41 1ab3 n LEU 30 Cb 0.38 -0.49 0.12 0.00 -0.00 0.00 0.00 43.42 43.43 1ab3 n LEU 30 CO 0.41 -0.25 0.46 0.17 -0.00 0.00 0.00 177.39 178.18 1ab3 h LEU 31 N 0.00 0.18 0.11 1.47 8.10 0.39 -3.08 115.31 122.48 1ab3 h LEU 31 Ca 0.00 -0.11 -0.29 0.00 0.11 0.00 0.00 57.88 57.60 1ab3 h LEU 31 Cb 0.23 -0.05 0.03 0.00 -0.44 0.00 0.00 40.66 40.43 1ab3 h LEU 31 CO 0.00 0.77 -1.18 0.00 -4.11 0.00 0.00 178.44 173.91 1ab3 h THR 32 N 0.11 1.30 0.19 0.15 1.03 -1.38 -3.19 112.91 111.11 1ab3 h THR 32 Ca -0.01 -2.42 -0.01 0.00 -0.01 0.00 0.00 66.41 63.96 1ab3 h THR 32 Cb 1.15 2.68 -0.01 0.00 -1.07 0.00 0.00 68.15 70.90 1ab3 h THR 32 CO 0.09 0.74 -0.18 0.25 -0.01 0.00 0.00 175.52 176.41 1ab3 h LEU 33 N 0.25 -0.48 -1.43 0.00 5.85 -1.54 -0.28 115.31 117.68 1ab3 h LEU 33 Ca -0.18 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1ab3 h LEU 33 Cb 1.86 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 43.04 1ab3 h LEU 33 CO 0.23 -0.24 0.62 -0.09 -0.34 0.00 0.00 178.44 178.62 1ab3 h ARG 34 N -0.36 0.00 0.25 1.25 9.65 -1.69 0.27 114.38 123.74 1ab3 h ARG 34 Ca -0.02 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1ab3 h ARG 34 Cb 0.31 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1ab3 h ARG 34 CO -0.01 0.00 -0.12 0.82 2.80 0.00 0.00 179.97 183.46 1ab3 h ILE 35 N 0.00 0.58 -0.96 1.20 2.04 -1.07 -2.30 117.51 117.00 1ab3 h ILE 35 Ca 0.11 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 1ab3 h ILE 35 Cb 1.34 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 1ab3 h ILE 35 CO -0.00 0.14 0.58 0.78 0.00 0.00 0.00 178.15 179.66 1ab3 h ASN 36 N -0.93 1.14 -0.14 1.72 2.35 -0.01 -0.92 115.58 118.79 1ab3 h ASN 36 Ca -0.03 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1ab3 h ASN 36 Cb 0.49 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1ab3 h ASN 36 CO 0.06 0.87 0.00 0.54 -1.65 0.00 0.00 177.43 177.25 1ab3 n ARG 37 N -4.36 1.33 -0.01 0.81 1.74 -0.72 -3.44 116.66 112.01 1ab3 n ARG 37 Ca 0.11 -0.51 -0.20 0.00 -0.77 0.00 0.00 57.85 56.48 1ab3 n ARG 37 Cb 0.05 -1.11 -0.14 0.00 -1.02 0.00 0.00 32.46 30.24 1ab3 n ARG 37 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ab3 n LEU 38 N -0.09 2.54 0.23 0.55 -0.00 -0.35 -4.04 117.00 115.83 1ab3 n LEU 38 Ca 0.05 0.18 0.12 0.00 -0.00 0.00 0.00 56.01 56.36 1ab3 n LEU 38 Cb 0.12 -1.00 0.45 0.00 -0.00 0.00 0.00 43.42 42.98 1ab3 n LEU 38 CO 0.03 0.83 0.83 -1.28 -0.00 0.00 0.00 177.39 177.80 1ab3 h SER 39 N 0.06 0.00 -0.36 1.96 0.87 -1.58 -2.76 113.55 111.74 1ab3 h SER 39 Ca -0.43 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.10 1ab3 h SER 39 Cb 2.02 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.96 1ab3 h SER 39 CO 0.07 0.16 0.04 -0.62 -0.53 0.00 0.00 176.83 175.95 1ab3 n GLU 40 N -3.26 3.11 0.00 2.24 4.71 -1.25 -3.98 120.64 122.21 1ab3 n GLU 40 Ca 0.01 -1.82 0.00 0.00 -0.01 0.00 0.00 57.16 55.34 1ab3 n GLU 40 Cb 0.43 -1.92 0.00 0.00 -1.01 0.00 0.00 31.44 28.94 1ab3 n GLU 40 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1ab3 n HIS 41 N 0.28 0.00 0.69 -0.32 -0.00 -1.04 -4.33 115.22 110.50 1ab3 n HIS 41 Ca 0.18 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.43 1ab3 n HIS 41 Cb 0.84 -0.09 0.36 0.00 -0.12 0.00 0.00 29.99 30.99 1ab3 n HIS 41 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1ab3 n LEU 42 N -1.36 0.00 -0.59 0.27 4.77 -1.26 -1.71 117.00 117.12 1ab3 n LEU 42 Ca 0.00 0.25 0.01 0.00 -0.03 0.00 0.00 56.01 56.24 1ab3 n LEU 42 Cb 0.00 -0.25 0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1ab3 n LEU 42 CO 0.00 -0.13 0.41 0.29 -1.33 0.00 0.00 177.39 176.63 1ab3 n LYS 43 N -1.25 1.56 0.00 3.23 4.76 -1.26 -4.03 118.16 121.18 1ab3 n LYS 43 Ca 0.07 -0.52 0.00 0.00 -2.87 0.00 0.00 58.31 54.99 1ab3 n LYS 43 Cb 0.10 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 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 0.04 0.00 -0.18 -0.18 0.31 -1.06 -5.04 118.33 112.22 1ab3 n VAL 44 Ca 0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 1ab3 n VAL 44 Cb 0.32 -0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.38 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 -1.53 -2.45 -1.54 3.52 8.25 -0.69 -4.89 115.22 115.89 1ab3 n HIS 45 Ca 0.00 -0.26 -0.24 0.00 -0.26 0.00 0.00 57.72 56.97 1ab3 n HIS 45 Cb 0.00 -0.68 0.10 0.00 1.12 0.00 0.00 29.99 30.53 1ab3 n HIS 45 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1ab3 n LYS 46 N -2.78 2.69 -0.89 -0.41 2.85 -1.26 -4.85 118.16 113.52 1ab3 n LYS 46 Ca 0.06 -3.48 0.00 0.00 -1.05 0.00 0.00 58.31 53.84 1ab3 n LYS 46 Cb 0.25 -2.17 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 1ab3 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1ab3 n LYS 47 N -0.94 -0.48 0.25 -1.58 4.76 -1.26 -4.81 118.16 114.10 1ab3 n LYS 47 Ca 0.51 0.12 0.16 0.00 -2.87 0.00 0.00 58.31 56.23 1ab3 n LYS 47 Cb 0.96 -3.70 0.85 0.00 -1.84 0.00 0.00 35.03 31.30 1ab3 n LYS 47 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1ab3 h ASP 48 N 0.00 0.00 -4.62 4.39 1.82 -1.98 -3.47 116.42 112.56 1ab3 h ASP 48 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ab3 h ASP 48 Cb 0.24 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.20 1ab3 h ASP 48 CO 0.00 0.00 -1.10 1.41 -1.61 0.00 0.00 179.24 177.94 1ab3 n HIS 49 N -2.63 -4.20 -1.40 0.28 8.25 -1.26 -4.94 115.22 109.32 1ab3 n HIS 49 Ca -0.02 2.48 0.07 0.00 -0.26 0.00 0.00 57.72 59.99 1ab3 n HIS 49 Cb 0.09 -3.66 0.14 0.00 1.12 0.00 0.00 29.99 27.68 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 1.59 0.00 -3.61 4.41 8.25 -1.26 -5.05 115.22 119.55 1ab3 n HIS 50 Ca -0.15 -1.01 0.02 0.00 -0.26 0.00 0.00 57.72 56.31 1ab3 n HIS 50 Cb 0.23 -0.17 -0.00 0.00 1.12 0.00 0.00 29.99 31.17 1ab3 n HIS 50 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ab3 s SER 51 N -2.74 -0.05 0.00 0.41 1.04 -1.26 -5.07 113.70 106.03 1ab3 s SER 51 Ca 0.30 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1ab3 s SER 51 Cb 0.28 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1ab3 s SER 51 CO -0.01 -0.25 0.00 1.57 0.98 0.00 0.00 173.24 175.52 1ab3 n HIS 52 N -0.49 0.00 -0.05 5.02 -0.00 -1.26 -4.96 115.22 113.49 1ab3 n HIS 52 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.63 1ab3 n HIS 52 Cb 0.63 0.00 0.29 0.00 -0.00 0.00 0.00 29.99 30.91 1ab3 n HIS 52 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1ab3 h ARG 53 N 0.00 0.63 -0.62 1.57 2.43 -2.05 -1.67 114.38 114.68 1ab3 h ARG 53 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1ab3 h ARG 53 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1ab3 h ARG 53 CO 0.00 0.58 0.00 0.41 -1.51 0.00 0.00 179.97 179.45 1ab3 n GLY 54 N -0.99 2.85 0.00 2.80 0.00 -1.26 -4.58 105.19 104.01 1ab3 n GLY 54 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1ab3 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ab3 n LEU 55 N 0.65 0.00 -0.35 0.99 7.99 -0.63 -4.13 117.00 121.51 1ab3 n LEU 55 Ca 0.26 0.00 0.37 0.00 -0.01 0.00 0.00 56.01 56.63 1ab3 n LEU 55 Cb 1.10 0.00 0.71 0.00 -0.11 0.00 0.00 43.42 45.12 1ab3 n LEU 55 CO 0.30 -0.65 1.34 -0.07 -1.51 0.00 0.00 177.39 176.80 1ab3 h LEU 56 N 0.00 0.00 -0.75 2.23 3.38 -1.93 -0.05 115.31 118.20 1ab3 h LEU 56 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1ab3 h LEU 56 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 1ab3 h LEU 56 CO 0.00 0.00 -0.30 0.24 0.09 0.00 0.00 178.44 178.47 1ab3 h MET 57 N 0.00 -0.07 -0.86 1.13 2.86 -1.87 0.63 114.93 116.75 1ab3 h MET 57 Ca 0.60 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 58.38 1ab3 h MET 57 Cb 2.66 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 34.25 1ab3 h MET 57 CO -0.01 -0.05 0.47 1.98 1.06 0.00 0.00 176.91 180.36 1ab3 h MET 58 N -0.07 0.68 -0.55 1.72 4.05 -1.15 0.15 114.93 119.75 1ab3 h MET 58 Ca 0.31 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1ab3 h MET 58 Cb 0.57 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 1ab3 h MET 58 CO -0.79 0.45 0.32 0.28 0.23 0.00 0.00 176.91 177.39 1ab3 h VAL 59 N 0.70 1.16 0.00 -5.77 2.07 0.09 -0.38 116.25 114.13 1ab3 h VAL 59 Ca 0.45 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1ab3 h VAL 59 Cb 0.56 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1ab3 h VAL 59 CO -0.32 0.18 0.00 1.23 0.02 0.00 0.00 177.57 178.67 1ab3 h GLY 60 N 0.82 0.00 -2.41 2.17 0.00 0.49 -2.47 103.07 101.66 1ab3 h GLY 60 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 1ab3 h GLY 60 CO -0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.45 1ab3 n GLN 61 N -3.03 3.13 0.00 4.80 1.13 -0.15 -3.57 117.38 119.68 1ab3 n GLN 61 Ca 0.01 -1.73 0.00 0.00 -1.94 0.00 0.00 57.00 53.34 1ab3 n GLN 61 Cb 0.31 -1.92 0.00 0.00 0.11 0.00 0.00 30.24 28.74 1ab3 n GLN 61 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1ab3 n ARG 62 N 0.33 -0.20 0.27 -1.09 0.63 -0.93 -4.25 116.66 111.42 1ab3 n ARG 62 Ca 0.15 -0.15 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 1ab3 n ARG 62 Cb 0.78 -0.63 -0.05 0.00 0.45 0.00 0.00 32.46 33.00 1ab3 n ARG 62 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ab3 h ARG 63 N 0.00 -0.72 0.00 -0.14 -0.00 -1.61 -3.13 114.38 108.78 1ab3 h ARG 63 Ca 0.00 0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.53 1ab3 h ARG 63 Cb 0.32 0.16 0.00 0.00 0.00 0.00 0.00 29.97 30.46 1ab3 h ARG 63 CO 0.00 -0.48 -0.84 0.54 0.00 0.00 0.00 179.97 179.19 1ab3 n ARG 64 N -5.27 1.92 -2.47 0.04 5.12 -1.26 -4.53 116.66 110.20 1ab3 n ARG 64 Ca -0.09 -0.02 -0.23 0.00 -1.93 0.00 0.00 57.85 55.58 1ab3 n ARG 64 Cb 0.29 -1.22 0.01 0.00 -1.16 0.00 0.00 32.46 30.39 1ab3 n ARG 64 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ab3 n LEU 65 N -1.45 4.09 -0.19 0.55 7.99 -1.26 -4.77 117.00 121.96 1ab3 n LEU 65 Ca 0.02 -4.84 -0.09 0.00 -0.01 0.00 0.00 56.01 51.08 1ab3 n LEU 65 Cb 0.25 -0.27 -0.04 0.00 -0.11 0.00 0.00 43.42 43.25 1ab3 n LEU 65 CO 0.30 2.07 0.56 0.25 -1.51 0.00 0.00 177.39 179.07 1ab3 h LEU 66 N 2.60 -1.53 0.00 2.23 6.46 -1.72 -2.61 115.31 120.73 1ab3 h LEU 66 Ca 0.23 0.24 -0.17 0.00 -0.12 0.00 0.00 57.88 58.06 1ab3 h LEU 66 Cb 1.05 0.69 -0.03 0.00 -0.73 0.00 0.00 40.66 41.63 1ab3 h LEU 66 CO 0.76 -0.34 -2.18 -1.14 -0.62 0.00 0.00 178.44 174.92 1ab3 n ARG 67 N -5.40 0.68 -0.68 1.25 0.63 -1.26 -4.84 116.66 107.05 1ab3 n ARG 67 Ca 0.01 -0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 1ab3 n ARG 67 Cb 0.35 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.74 1ab3 n ARG 67 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1ab3 n TYR 68 N -2.49 0.00 0.04 -0.14 9.36 -0.98 -4.76 117.16 118.19 1ab3 n TYR 68 Ca -0.18 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.06 1ab3 n TYR 68 Cb 0.84 -0.74 -0.07 0.00 -0.63 0.00 0.00 39.34 38.75 1ab3 n TYR 68 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1ab3 n LEU 69 N 0.00 0.86 -0.25 2.98 0.00 -1.26 -3.86 117.00 115.46 1ab3 n LEU 69 Ca 0.00 0.37 0.31 0.00 0.00 0.00 0.00 56.01 56.68 1ab3 n LEU 69 Cb 0.00 0.05 0.71 0.00 0.00 0.00 0.00 43.42 44.18 1ab3 n LEU 69 CO 0.00 0.08 1.28 0.06 0.00 0.00 0.00 177.39 178.82 1ab3 h GLN 70 N 0.00 0.05 -0.27 1.96 3.07 -1.86 0.20 115.11 118.27 1ab3 h GLN 70 Ca -0.13 -0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.58 1ab3 h GLN 70 Cb 1.48 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 29.02 1ab3 h GLN 70 CO 0.04 0.03 0.06 0.00 0.09 0.00 0.00 178.83 179.05 1ab3 h ARG 71 N 0.05 0.43 -0.66 0.06 3.08 -1.96 -2.28 114.38 113.10 1ab3 h ARG 71 Ca 0.50 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1ab3 h ARG 71 Cb 1.91 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.90 1ab3 h ARG 71 CO -0.04 0.52 0.00 0.39 -1.07 0.00 0.00 179.97 179.78 1ab3 n GLU 72 N -4.70 2.28 0.00 0.04 1.02 0.63 -4.66 120.64 115.25 1ab3 n GLU 72 Ca -0.03 -1.20 0.00 0.00 -0.02 0.00 0.00 57.16 55.91 1ab3 n GLU 72 Cb 0.18 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1ab3 n GLU 72 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ab3 n ASP 73 N 0.29 0.00 0.10 1.62 8.00 -0.66 -5.02 116.55 120.88 1ab3 n ASP 73 Ca 0.11 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.57 1ab3 n ASP 73 Cb 0.51 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.65 1ab3 n ASP 73 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1ab3 h PRO 74 N 0.00 0.02 -0.04 -0.24 0.13 -1.77 -2.92 132.00 127.18 1ab3 h PRO 74 Ca 0.00 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.03 1ab3 h PRO 74 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1ab3 h PRO 74 CO 0.00 0.79 -0.30 1.05 -0.23 0.00 0.00 178.00 179.32 1ab3 h GLU 75 N 0.01 0.27 0.00 0.86 4.11 -1.96 -2.68 114.58 115.19 1ab3 h GLU 75 Ca -0.01 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1ab3 h GLU 75 Cb 1.39 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1ab3 h GLU 75 CO 0.10 0.91 0.07 0.00 0.07 0.00 0.00 179.01 180.17 1ab3 h ARG 76 N -0.29 0.00 -1.88 1.06 3.08 -1.93 -2.28 114.38 112.15 1ab3 h ARG 76 Ca -0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1ab3 h ARG 76 Cb 0.99 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.99 1ab3 h ARG 76 CO 0.06 0.00 0.09 0.98 -1.07 0.00 0.00 179.97 180.03 1ab3 n TYR 77 N -2.66 0.44 -2.38 3.04 9.36 -1.01 -3.75 117.16 120.20 1ab3 n TYR 77 Ca -0.02 -1.32 -0.00 0.00 3.32 0.00 0.00 57.90 59.88 1ab3 n TYR 77 Cb 0.12 -0.74 -0.00 0.00 -0.63 0.00 0.00 39.34 38.10 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 1.27 0.21 0.10 2.98 1.85 -0.86 -4.84 116.66 117.37 1ab3 n ARG 78 Ca 0.13 -1.77 0.00 0.00 -1.00 0.00 0.00 57.85 55.20 1ab3 n ARG 78 Cb 0.56 0.04 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 1ab3 n ARG 78 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ab3 n ALA 79 N 0.15 3.00 1.58 2.89 0.00 -1.25 -4.75 120.51 122.13 1ab3 n ALA 79 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.49 1ab3 n ALA 79 Cb 0.97 0.09 0.61 0.00 0.00 0.00 0.00 19.45 21.12 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 -3.41 0.00 0.12 0.00 4.32 -1.26 -2.71 117.00 114.06 1ab3 n LEU 80 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 1ab3 n LEU 80 Cb 0.00 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.65 1ab3 n LEU 80 CO 0.00 0.00 -0.12 0.16 -1.22 0.00 0.00 177.39 176.21 1ab3 h ILE 81 N 0.00 1.41 0.00 -0.08 -0.00 -1.88 -2.94 117.51 114.02 1ab3 h ILE 81 Ca 0.00 -2.90 0.00 0.00 -0.00 0.00 0.00 64.86 61.96 1ab3 h ILE 81 Cb 0.00 2.97 0.00 0.00 -0.00 0.00 0.00 36.82 39.79 1ab3 h ILE 81 CO 0.00 0.86 -0.60 -0.62 -0.00 0.00 0.00 178.15 177.78 1ab3 n GLU 82 N -3.62 0.09 -0.52 0.16 1.02 -1.10 -3.48 120.64 113.20 1ab3 n GLU 82 Ca -0.12 0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.12 1ab3 n GLU 82 Cb 1.05 -1.55 0.30 0.00 -0.02 0.00 0.00 31.44 31.22 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ab3 n LYS 83 N -1.68 3.49 0.00 3.49 5.02 -1.15 -4.81 118.16 122.52 1ab3 n LYS 83 Ca 0.05 -2.76 0.00 0.00 -2.02 0.00 0.00 58.31 53.58 1ab3 n LYS 83 Cb 0.37 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1ab3 n LYS 83 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ab3 n LEU 84 N 0.46 0.00 0.00 -0.35 4.77 -1.11 -5.00 117.00 115.77 1ab3 n LEU 84 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1ab3 n LEU 84 Cb 0.84 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1ab3 n LEU 84 CO 0.19 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1ab3 n GLY 85 N 1.09 -1.25 0.00 -0.72 0.00 -1.23 -5.09 105.19 97.98 1ab3 n GLY 85 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.23 -5.11 119.36 112.55 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 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 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 0.00 0.00 -0.93 9.51 1.74 -1.26 -5.12 116.66 120.60 1ab3 n ARG 87 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ab3 n ARG 87 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ab3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52