#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s n VAL 2 N 0.00 0.90 -3.92 1.08 0.31 -1.26 -4.96 118.33 110.48 3g4s n VAL 2 Ca 0.00 -0.34 -0.34 0.00 -0.01 0.00 0.00 64.34 63.65 3g4s n VAL 2 Cb 0.00 -1.09 -0.14 0.00 -0.91 0.00 0.00 33.84 31.70 3g4s n VAL 2 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3g4s s LEU 3 N -5.97 4.30 0.35 7.52 2.96 -1.26 -5.08 118.68 121.50 3g4s s LEU 3 Ca -0.21 -1.63 0.05 0.00 -0.22 0.00 0.00 54.13 52.11 3g4s s LEU 3 Cb 0.06 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 3g4s s LEU 3 CO 0.36 -0.34 0.50 -1.00 -1.32 0.00 0.00 176.35 174.55 3g4s s HIS 4 N 1.14 3.22 0.21 5.38 3.76 -1.26 -4.99 115.29 122.74 3g4s s HIS 4 Ca 0.00 -0.05 -0.09 0.00 -0.15 0.00 0.00 55.06 54.77 3g4s s HIS 4 Cb -0.20 -1.99 0.27 0.00 1.11 0.00 0.00 32.58 31.77 3g4s s HIS 4 CO -0.04 -0.01 1.78 0.28 -0.85 0.00 0.00 174.74 175.91 3g4s h VAL 5 N 0.82 0.88 -0.64 -0.90 2.07 -2.00 -2.42 116.25 114.06 3g4s h VAL 5 Ca -0.47 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 3g4s h VAL 5 Cb 1.25 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3g4s h VAL 5 CO 0.56 0.11 0.24 1.56 0.02 0.00 0.00 177.57 180.06 3g4s h GLN 6 N 0.58 0.97 0.00 1.57 1.08 -1.99 -2.63 115.11 114.69 3g4s h GLN 6 Ca 0.31 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3g4s h GLN 6 Cb 0.29 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3g4s h GLN 6 CO -0.24 0.82 0.00 0.93 -0.95 0.00 0.00 178.83 179.40 3g4s h GLU 7 N 0.90 0.00 0.01 1.46 5.08 -1.84 -1.97 114.58 118.23 3g4s h GLU 7 Ca 0.21 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.27 3g4s h GLU 7 Cb 0.23 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3g4s h GLU 7 CO -0.01 0.00 -1.79 -0.89 -1.00 0.00 0.00 179.01 175.32 3g4s n ILE 8 N -2.44 1.61 1.08 3.13 5.41 -1.02 -3.85 119.36 123.29 3g4s n ILE 8 Ca 0.01 -0.79 0.13 0.00 1.00 0.00 0.00 62.75 63.10 3g4s n ILE 8 Cb 0.18 -1.06 0.51 0.00 -0.71 0.00 0.00 39.64 38.56 3g4s n ILE 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3g4s n ARG 9 N -3.06 0.13 0.00 0.38 1.74 -0.80 -2.99 116.66 112.05 3g4s n ARG 9 Ca -0.20 -0.04 0.13 0.00 -0.77 0.00 0.00 57.85 56.98 3g4s n ARG 9 Cb 1.06 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 31.38 3g4s n ARG 9 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3g4s n ASP 10 N -1.40 1.75 -4.80 0.55 8.00 -0.83 -4.93 116.55 114.89 3g4s n ASP 10 Ca 0.08 -1.49 -0.22 0.00 0.71 0.00 0.00 54.79 53.87 3g4s n ASP 10 Cb 0.32 0.06 0.10 0.00 -0.02 0.00 0.00 41.12 41.58 3g4s n ASP 10 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3g4s s MET 11 N -2.13 1.85 0.19 -1.24 -1.94 -1.16 -5.09 119.30 109.78 3g4s s MET 11 Ca 0.32 -1.40 0.09 0.00 -1.71 0.00 0.00 55.69 53.00 3g4s s MET 11 Cb 0.20 -2.45 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 3g4s s MET 11 CO 0.38 -1.28 -0.13 -0.08 -0.01 0.00 0.00 175.02 173.90 3g4s s THR 12 N -2.98 2.99 -1.63 2.05 -1.32 -1.26 -4.99 115.64 108.50 3g4s s THR 12 Ca 0.65 -1.75 0.00 0.00 -1.21 0.00 0.00 61.69 59.38 3g4s s THR 12 Cb -0.05 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 3g4s s THR 12 CO 0.43 -0.12 0.38 -2.65 -2.21 0.00 0.00 174.62 170.45 3g4s n PRO 13 N 0.08 0.00 -0.04 7.08 -0.02 -1.26 -0.57 135.00 140.27 3g4s n PRO 13 Ca -0.11 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.34 3g4s n PRO 13 Cb 0.56 -1.47 -0.09 0.00 -0.02 0.00 0.00 33.50 32.48 3g4s n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g4s n ALA 14 N -0.88 1.88 0.09 3.55 0.00 -1.26 -3.96 120.51 119.93 3g4s n ALA 14 Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 53.44 52.77 3g4s n ALA 14 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.38 3g4s n ALA 14 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3g4s h GLU 15 N 0.00 0.04 0.02 0.00 5.08 -1.22 -2.78 114.58 115.72 3g4s h GLU 15 Ca -0.23 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 57.84 3g4s h GLU 15 Cb 1.42 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.70 3g4s h GLU 15 CO 0.01 0.87 -0.95 0.00 -1.00 0.00 0.00 179.01 177.94 3g4s h ARG 16 N 0.02 0.61 0.00 2.33 3.08 -1.59 -1.63 114.38 117.20 3g4s h ARG 16 Ca -0.02 -0.68 -0.01 0.00 0.07 0.00 0.00 59.98 59.33 3g4s h ARG 16 Cb 1.51 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.76 3g4s h ARG 16 CO 0.12 1.28 -0.06 0.93 -1.07 0.00 0.00 179.97 181.16 3g4s h GLU 17 N 0.24 0.00 0.00 0.04 4.39 -1.68 -0.17 114.58 117.40 3g4s h GLU 17 Ca -0.12 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.25 3g4s h GLU 17 Cb 1.63 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.22 3g4s h GLU 17 CO 0.19 0.06 -1.97 0.00 -1.16 0.00 0.00 179.01 176.13 3g4s n ALA 18 N -2.16 1.48 0.20 3.43 0.00 -1.05 -3.91 120.51 118.50 3g4s n ALA 18 Ca -0.01 -0.97 0.09 0.00 0.00 0.00 0.00 53.44 52.55 3g4s n ALA 18 Cb 0.25 -0.60 0.30 0.00 0.00 0.00 0.00 19.45 19.40 3g4s n ALA 18 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3g4s h GLU 19 N 0.00 0.00 0.10 0.00 4.57 -0.81 -2.39 114.58 116.05 3g4s h GLU 19 Ca -0.39 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3g4s h GLU 19 Cb 2.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.69 3g4s h GLU 19 CO 0.06 0.24 -0.05 1.25 -1.18 0.00 0.00 179.01 179.34 3g4s h LEU 20 N 0.00 -0.11 -0.60 1.64 5.85 -1.17 -2.46 115.31 118.46 3g4s h LEU 20 Ca -0.00 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 3g4s h LEU 20 Cb 0.96 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3g4s h LEU 20 CO 0.03 0.16 0.07 0.44 -0.34 0.00 0.00 178.44 178.81 3g4s h ASP 21 N -0.39 0.97 0.32 1.25 3.32 -1.66 0.21 116.42 120.43 3g4s h ASP 21 Ca -0.01 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3g4s h ASP 21 Cb 0.32 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3g4s h ASP 21 CO 0.02 1.00 0.00 0.47 -1.72 0.00 0.00 179.24 179.01 3g4s n ASP 22 N -4.28 0.37 -0.08 6.45 8.00 -0.91 -0.90 116.55 125.22 3g4s n ASP 22 Ca 0.03 0.63 -0.10 0.00 0.71 0.00 0.00 54.79 56.06 3g4s n ASP 22 Cb 0.29 -0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 40.62 3g4s n ASP 22 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3g4s n LEU 23 N -1.95 2.11 0.26 0.64 4.77 -0.93 -3.99 117.00 117.90 3g4s n LEU 23 Ca 0.01 -0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.05 3g4s n LEU 23 Cb 0.11 -0.32 0.68 0.00 -2.33 0.00 0.00 43.42 41.57 3g4s n LEU 23 CO 0.11 0.64 0.94 0.11 -1.33 0.00 0.00 177.39 177.87 3g4s h LYS 24 N 0.00 0.00 0.18 3.23 1.57 0.07 0.06 116.57 121.68 3g4s h LYS 24 Ca -0.36 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.07 3g4s h LYS 24 Cb 1.64 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.96 3g4s h LYS 24 CO -0.03 0.14 -1.72 1.15 -0.57 0.00 0.00 179.45 178.42 3g4s h THR 25 N 0.00 0.95 0.00 -0.16 2.02 -1.25 -3.02 112.91 111.45 3g4s h THR 25 Ca -0.00 -2.51 -0.02 0.00 0.77 0.00 0.00 66.41 64.66 3g4s h THR 25 Cb 0.41 2.77 -0.00 0.00 -1.74 0.00 0.00 68.15 69.58 3g4s h THR 25 CO 0.02 0.85 -0.08 -0.08 0.37 0.00 0.00 175.52 176.59 3g4s h GLU 26 N 0.07 0.00 -0.03 6.66 4.81 -1.47 0.71 114.58 125.32 3g4s h GLU 26 Ca -0.34 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.83 3g4s h GLU 26 Cb 2.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.46 3g4s h GLU 26 CO 0.17 0.08 -0.20 1.25 -0.73 0.00 0.00 179.01 179.59 3g4s h LEU 27 N 0.00 0.22 -1.65 1.64 5.85 -1.10 -2.41 115.31 117.87 3g4s h LEU 27 Ca -0.00 -0.69 -0.04 0.00 0.84 0.00 0.00 57.88 57.99 3g4s h LEU 27 Cb 0.16 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3g4s h LEU 27 CO 0.01 0.88 -0.20 0.25 -0.34 0.00 0.00 178.44 179.04 3g4s h LEU 28 N -0.41 0.00 -0.40 2.25 5.85 -1.22 0.25 115.31 121.63 3g4s h LEU 28 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3g4s h LEU 28 Cb 0.88 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3g4s h LEU 28 CO 0.04 0.20 -0.12 0.59 -0.34 0.00 0.00 178.44 178.81 3g4s n ASN 29 N -3.90 0.74 -0.08 1.25 3.02 0.17 -2.26 115.26 114.20 3g4s n ASN 29 Ca -0.02 -0.83 -0.10 0.00 -0.03 0.00 0.00 54.58 53.60 3g4s n ASN 29 Cb 0.29 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.36 3g4s n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g4s n ALA 30 N -0.70 1.64 0.23 5.41 0.00 -0.33 -4.36 120.51 122.39 3g4s n ALA 30 Ca 0.15 -0.85 0.11 0.00 0.00 0.00 0.00 53.44 52.86 3g4s n ALA 30 Cb 0.30 0.02 0.49 0.00 0.00 0.00 0.00 19.45 20.26 3g4s n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g4s h ARG 31 N 0.00 0.00 0.03 0.00 3.08 -0.59 -2.90 114.38 114.00 3g4s h ARG 31 Ca -0.39 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.43 3g4s h ARG 31 Cb 1.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.80 3g4s h ARG 31 CO -0.02 0.18 -1.00 0.00 -1.07 0.00 0.00 179.97 178.06 3g4s h ALA 32 N 1.82 0.32 0.00 0.04 0.00 -1.67 -2.79 119.26 116.98 3g4s h ALA 32 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3g4s h ALA 32 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3g4s h ALA 32 CO 0.02 0.86 0.00 0.28 0.00 0.00 0.00 179.25 180.42 3g4s h VAL 33 N 0.18 0.00 0.00 0.00 2.07 -1.73 -2.56 116.25 114.20 3g4s h VAL 33 Ca -0.09 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3g4s h VAL 33 Cb 1.66 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3g4s h VAL 33 CO 0.17 0.00 -0.51 1.67 0.02 0.00 0.00 177.57 178.91 3g4s n GLN 34 N -3.03 0.14 0.09 1.57 7.27 -1.11 -2.03 117.38 120.29 3g4s n GLN 34 Ca 0.03 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.15 3g4s n GLN 34 Cb 0.46 -1.59 -0.03 0.00 2.41 0.00 0.00 30.24 31.49 3g4s n GLN 34 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3g4s h ALA 35 N 2.76 0.63 0.00 1.69 0.00 -1.17 -3.28 119.26 119.89 3g4s h ALA 35 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3g4s h ALA 35 Cb 0.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3g4s h ALA 35 CO 0.00 0.81 -1.42 0.00 0.00 0.00 0.00 179.25 178.64 3g4s n ALA 36 N -2.30 2.87 -1.27 0.00 0.00 -1.20 -4.99 120.51 113.61 3g4s n ALA 36 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3g4s n ALA 36 Cb 0.80 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.33 3g4s n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g4s n GLY 37 N 1.26 0.41 3.75 0.00 0.00 -1.09 -5.03 105.19 104.48 3g4s n GLY 37 Ca -0.01 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 3g4s n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g4s s GLY 38 N -2.97 2.84 0.34 -0.02 0.00 -0.86 -4.99 107.32 101.67 3g4s s GLY 38 Ca 0.00 1.19 0.16 0.00 0.00 0.00 0.00 44.72 46.07 3g4s s GLY 38 CO 0.00 1.65 1.69 0.00 0.00 0.00 0.00 173.10 176.44 3g4s h ALA 39 N 1.18 0.97 0.00 3.20 0.00 -1.96 -3.38 119.26 119.28 3g4s h ALA 39 Ca -0.51 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 53.93 3g4s h ALA 39 Cb 1.30 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3g4s h ALA 39 CO 0.56 0.55 -0.01 -0.35 0.00 0.00 0.00 179.25 180.00 3g4s n PRO 40 N -3.58 0.95 -2.85 0.00 -0.04 -1.26 -4.87 135.00 123.35 3g4s n PRO 40 Ca -0.00 -0.37 -0.31 0.00 -0.04 0.00 0.00 63.50 62.77 3g4s n PRO 40 Cb 0.55 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 3g4s n PRO 40 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3g4s s GLU 41 N 1.47 3.88 -0.46 0.54 2.02 -1.26 -5.05 118.70 119.84 3g4s s GLU 41 Ca 0.25 0.62 0.04 0.00 0.02 0.00 0.00 54.97 55.89 3g4s s GLU 41 Cb 0.12 -2.35 0.17 0.00 0.10 0.00 0.00 34.13 32.16 3g4s s GLU 41 CO 0.00 -0.03 0.35 -0.80 0.02 0.00 0.00 175.26 174.80 3g4s s ASN 42 N -2.90 2.21 0.57 -0.19 0.01 -1.26 -5.03 114.94 108.35 3g4s s ASN 42 Ca 0.54 -3.11 0.34 0.00 -0.71 0.00 0.00 52.86 49.92 3g4s s ASN 42 Cb -0.10 -0.66 1.41 0.00 0.41 0.00 0.00 41.25 42.31 3g4s s ASN 42 CO 0.27 -0.17 1.67 -0.65 -1.51 0.00 0.00 177.10 176.71 3g4s h PRO 43 N 5.76 0.00 0.12 -0.60 0.11 -2.00 -1.62 132.00 133.77 3g4s h PRO 43 Ca 0.22 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.06 3g4s h PRO 43 Cb 0.89 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.01 3g4s h PRO 43 CO 0.42 0.00 -1.21 0.78 -0.21 0.00 0.00 178.00 177.79 3g4s h GLY 44 N 0.00 0.39 1.21 -0.55 0.00 -2.00 -3.30 103.07 98.82 3g4s h GLY 44 Ca 0.51 -0.91 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 3g4s h GLY 44 CO -0.01 0.80 -0.46 -0.09 0.00 0.00 0.00 176.54 176.78 3g4s h ARG 45 N 0.12 0.85 0.00 4.80 2.43 -1.71 -1.40 114.38 119.47 3g4s h ARG 45 Ca -0.14 -0.49 -0.04 0.00 -0.81 0.00 0.00 59.98 58.51 3g4s h ARG 45 Cb 1.91 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.49 3g4s h ARG 45 CO 0.21 1.12 -0.19 0.97 -1.51 0.00 0.00 179.97 180.57 3g4s h ILE 46 N 0.67 0.88 0.02 1.20 2.10 -1.69 0.36 117.51 121.05 3g4s h ILE 46 Ca 0.04 -0.72 -0.04 0.00 1.08 0.00 0.00 64.86 65.22 3g4s h ILE 46 Cb 1.05 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 38.20 3g4s h ILE 46 CO 0.10 0.19 -0.16 0.50 -1.08 0.00 0.00 178.15 177.70 3g4s h LYS 47 N 0.00 0.05 0.00 2.19 3.64 -1.61 -3.27 116.57 117.57 3g4s h LYS 47 Ca -0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3g4s h LYS 47 Cb 0.41 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3g4s h LYS 47 CO 0.02 1.04 0.00 0.93 -2.27 0.00 0.00 179.45 179.17 3g4s h GLU 48 N -0.90 0.00 -0.14 1.90 4.39 -0.82 -2.10 114.58 116.90 3g4s h GLU 48 Ca -0.03 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 3g4s h GLU 48 Cb 1.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3g4s h GLU 48 CO 0.02 0.00 -0.65 -0.07 -1.16 0.00 0.00 179.01 177.15 3g4s h LEU 49 N 0.00 0.60 -0.11 1.33 3.38 -0.38 -0.74 115.31 119.39 3g4s h LEU 49 Ca 0.00 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 3g4s h LEU 49 Cb 0.39 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3g4s h LEU 49 CO 0.00 1.09 -0.10 0.03 0.09 0.00 0.00 178.44 179.55 3g4s h ARG 50 N 0.38 0.27 -0.67 1.13 3.08 -1.44 -2.11 114.38 115.02 3g4s h ARG 50 Ca -0.02 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.91 3g4s h ARG 50 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 3g4s h ARG 50 CO 0.12 0.67 0.44 0.87 -1.07 0.00 0.00 179.97 181.00 3g4s h LYS 51 N -0.12 0.85 0.00 0.04 1.57 -1.43 -1.21 116.57 116.27 3g4s h LYS 51 Ca 0.02 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3g4s h LYS 51 Cb 0.61 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3g4s h LYS 51 CO 0.03 0.57 -0.00 0.00 -0.57 0.00 0.00 179.45 179.47 3g4s h ALA 52 N 1.59 -0.00 -0.09 3.86 0.00 -1.06 -1.10 119.26 122.46 3g4s h ALA 52 Ca 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g4s h ALA 52 Cb -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3g4s h ALA 52 CO -0.06 -0.25 0.04 0.82 0.00 0.00 0.00 179.25 179.79 3g4s h ILE 53 N -0.50 1.04 -0.16 0.00 2.04 -1.06 -0.51 117.51 118.35 3g4s h ILE 53 Ca -0.00 -0.12 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 3g4s h ILE 53 Cb 0.50 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3g4s h ILE 53 CO 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 178.15 177.79 3g4s h ALA 54 N 1.92 0.27 -0.33 1.87 0.00 -1.15 -2.34 119.26 119.50 3g4s h ALA 54 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3g4s h ALA 54 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3g4s h ALA 54 CO -0.00 0.37 0.16 0.00 0.00 0.00 0.00 179.25 179.77 3g4s h ARG 55 N 0.20 0.47 -0.33 0.00 3.08 0.19 -0.06 114.38 117.93 3g4s h ARG 55 Ca -0.01 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 3g4s h ARG 55 Cb 1.02 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 3g4s h ARG 55 CO 0.09 0.43 -0.09 0.82 -1.07 0.00 0.00 179.97 180.15 3g4s h ILE 56 N 0.39 1.23 0.00 2.04 2.04 -1.24 0.87 117.51 122.85 3g4s h ILE 56 Ca 0.11 -1.00 -0.13 0.00 1.00 0.00 0.00 64.86 64.84 3g4s h ILE 56 Cb 0.12 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3g4s h ILE 56 CO -0.01 0.33 -0.64 0.11 0.00 0.00 0.00 178.15 177.94 3g4s h LYS 57 N 0.52 0.00 -0.04 2.37 1.57 -1.03 -1.55 116.57 118.41 3g4s h LYS 57 Ca 0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 3g4s h LYS 57 Cb 0.47 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.79 3g4s h LYS 57 CO 0.03 0.64 -0.42 1.15 -0.57 0.00 0.00 179.45 180.27 3g4s h THR 58 N 0.00 1.44 -0.16 -0.16 2.02 -0.17 -3.05 112.91 112.82 3g4s h THR 58 Ca -0.01 -1.89 -0.08 0.00 0.77 0.00 0.00 66.41 65.20 3g4s h THR 58 Cb 1.14 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 70.01 3g4s h THR 58 CO 0.08 0.54 -0.26 0.40 0.37 0.00 0.00 175.52 176.66 3g4s h ILE 59 N -0.16 1.25 -0.85 3.11 1.08 -0.85 -2.51 117.51 118.58 3g4s h ILE 59 Ca -0.04 -1.18 -0.01 0.00 -0.39 0.00 0.00 64.86 63.24 3g4s h ILE 59 Cb 1.11 1.42 -0.04 0.00 -3.07 0.00 0.00 36.82 36.23 3g4s h ILE 59 CO 0.09 0.36 0.51 1.56 -0.69 0.00 0.00 178.15 179.97 3g4s h GLN 60 N 0.27 1.15 -0.03 2.37 4.20 -1.27 0.53 115.11 122.32 3g4s h GLN 60 Ca 0.04 -0.10 -0.21 0.00 0.06 0.00 0.00 58.65 58.44 3g4s h GLN 60 Cb 0.61 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 3g4s h GLN 60 CO 0.04 0.81 -0.85 0.78 -0.67 0.00 0.00 178.83 178.94 3g4s h GLY 61 N 1.19 0.45 1.58 3.46 0.00 -1.38 -3.00 103.07 105.36 3g4s h GLY 61 Ca 0.30 -0.73 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 3g4s h GLY 61 CO -0.06 0.65 -0.47 0.83 0.00 0.00 0.00 176.54 177.49 3g4s h GLU 62 N 0.25 0.46 -0.30 4.80 5.08 -0.92 -3.24 114.58 120.70 3g4s h GLU 62 Ca -0.06 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3g4s h GLU 62 Cb 1.46 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.73 3g4s h GLU 62 CO 0.15 0.84 0.00 0.39 -1.00 0.00 0.00 179.01 179.38 3g4s n GLU 63 N -3.99 1.83 0.00 2.33 -0.58 0.10 -4.96 120.64 115.38 3g4s n GLU 63 Ca -0.02 -1.28 0.00 0.00 -0.42 0.00 0.00 57.16 55.44 3g4s n GLU 63 Cb 0.55 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 3g4s n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g4s n GLY 64 N 1.12 2.82 0.00 0.62 0.00 -1.22 -5.08 105.19 103.45 3g4s n GLY 64 Ca 0.14 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3g4s n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54