#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p s LYS 2 N 0.00 4.48 0.30 -0.52 -2.85 -1.26 -4.95 119.74 114.94 3i1p s LYS 2 Ca 0.00 1.72 -0.16 0.00 -1.00 0.00 0.00 55.97 56.54 3i1p s LYS 2 Cb 0.00 -3.34 -0.12 0.00 -2.06 0.00 0.00 37.83 32.31 3i1p s LYS 2 CO 0.00 -0.17 0.06 -0.89 0.10 0.00 0.00 175.35 174.45 3i1p n ILE 3 N 3.60 0.46 -4.60 3.79 5.41 -1.26 -4.98 119.36 121.78 3i1p n ILE 3 Ca 0.07 -0.37 -0.34 0.00 1.00 0.00 0.00 62.75 63.11 3i1p n ILE 3 Cb 0.47 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 39.28 3i1p n ILE 3 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3i1p s LYS 4 N -0.75 2.90 -0.06 0.38 2.20 -1.26 -5.01 119.74 118.14 3i1p s LYS 4 Ca 0.44 -0.55 -0.15 0.00 -0.36 0.00 0.00 55.97 55.35 3i1p s LYS 4 Cb -0.47 -2.64 -0.05 0.00 -1.51 0.00 0.00 37.83 33.16 3i1p s LYS 4 CO 0.47 0.59 0.40 0.99 -0.36 0.00 0.00 175.35 177.44 3i1p s THR 5 N -0.60 5.12 -0.73 3.43 2.01 -1.26 -4.94 115.64 118.67 3i1p s THR 5 Ca 0.09 0.82 -0.26 0.00 0.31 0.00 0.00 61.69 62.65 3i1p s THR 5 Cb -0.12 -3.72 -0.12 0.00 0.01 0.00 0.00 72.50 68.55 3i1p s THR 5 CO 0.02 0.48 2.41 -0.69 -0.69 0.00 0.00 174.62 176.15 3i1p s VAL 6 N -0.38 3.01 0.54 3.82 1.01 -0.58 -4.75 120.40 123.07 3i1p s VAL 6 Ca 0.23 -0.01 0.25 0.00 0.00 0.00 0.00 61.98 62.45 3i1p s VAL 6 Cb -0.16 -3.03 0.38 0.00 0.00 0.00 0.00 36.38 33.57 3i1p s VAL 6 CO 0.11 -0.03 2.02 -0.09 0.00 0.00 0.00 175.10 177.11 3i1p h ARG 7 N 14.16 0.00 0.16 2.72 9.65 -1.94 -1.34 114.38 137.80 3i1p h ARG 7 Ca -0.05 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 3i1p h ARG 7 Cb 1.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 3i1p h ARG 7 CO 1.04 0.00 -0.08 0.78 2.80 0.00 0.00 179.97 184.51 3i1p h GLY 8 N 0.00 -0.23 0.83 2.80 0.00 -1.99 -3.11 103.07 101.38 3i1p h GLY 8 Ca 0.20 0.08 0.14 0.00 0.00 0.00 0.00 47.33 47.75 3i1p h GLY 8 CO -0.00 -0.08 0.45 0.00 0.00 0.00 0.00 176.54 176.91 3i1p h ALA 9 N -1.89 2.17 0.00 3.60 0.00 -1.79 0.50 119.26 121.84 3i1p h ALA 9 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i1p h ALA 9 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3i1p h ALA 9 CO 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.95 3i1p n ALA 10 N -2.55 1.42 0.38 0.00 0.00 -0.57 -0.85 120.51 118.35 3i1p n ALA 10 Ca 0.12 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.76 3i1p n ALA 10 Cb 0.50 -1.30 0.19 0.00 0.00 0.00 0.00 19.45 18.84 3i1p n ALA 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1p n LYS 11 N -2.04 2.41 0.00 0.00 5.02 0.16 -4.25 118.16 119.47 3i1p n LYS 11 Ca 0.01 -2.19 0.00 0.00 -2.02 0.00 0.00 58.31 54.11 3i1p n LYS 11 Cb 0.14 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3i1p n LYS 11 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3i1p n ARG 12 N 1.41 0.39 -4.59 1.97 0.00 -0.35 -5.08 116.66 110.41 3i1p n ARG 12 Ca 0.18 -0.52 -0.24 0.00 -0.00 0.00 0.00 57.85 57.27 3i1p n ARG 12 Cb 0.59 -0.64 -0.16 0.00 -0.00 0.00 0.00 32.46 32.24 3i1p n ARG 12 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3i1p s PHE 13 N -0.17 1.37 -0.12 2.89 0.08 -0.03 -4.47 117.98 117.54 3i1p s PHE 13 Ca 0.00 -0.43 -0.04 0.00 0.12 0.00 0.00 56.93 56.58 3i1p s PHE 13 Cb 0.00 -0.98 0.06 0.00 -0.57 0.00 0.00 43.02 41.53 3i1p s PHE 13 CO 0.00 -0.20 0.21 0.21 -0.10 0.00 0.00 175.22 175.34 3i1p s LYS 14 N 0.38 0.10 0.89 0.44 2.36 -0.55 -4.78 119.74 118.58 3i1p s LYS 14 Ca -0.09 0.59 -0.15 0.00 -2.55 0.00 0.00 55.97 53.78 3i1p s LYS 14 Cb -0.13 -0.30 0.22 0.00 -1.05 0.00 0.00 37.83 36.58 3i1p s LYS 14 CO 0.02 -0.34 0.82 1.17 1.55 0.00 0.00 175.35 178.57 3i1p n LYS 15 N 5.33 -2.45 0.00 4.03 4.81 -1.26 -3.73 118.16 124.90 3i1p n LYS 15 Ca -0.05 -1.31 0.00 0.00 -0.87 0.00 0.00 58.31 56.08 3i1p n LYS 15 Cb 0.50 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.36 3i1p n LYS 15 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3i1p n THR 16 N -4.17 0.00 -1.37 3.15 -2.24 -1.19 -4.87 114.28 103.59 3i1p n THR 16 Ca 0.11 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.62 3i1p n THR 16 Cb 0.43 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.78 3i1p n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1p n GLY 17 N 0.00 5.37 0.00 3.38 0.00 -1.26 -4.95 105.19 107.73 3i1p n GLY 17 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3i1p n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1p n LYS 18 N -1.00 -0.88 -0.19 1.61 3.00 -1.26 -5.00 118.16 114.44 3i1p n LYS 18 Ca 0.58 0.00 0.30 0.00 -0.00 0.00 0.00 58.31 59.18 3i1p n LYS 18 Cb 1.06 0.00 0.63 0.00 0.00 0.00 0.00 35.03 36.72 3i1p n LYS 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3i1p h GLY 19 N 0.00 0.00 -2.28 3.14 0.00 -2.02 -3.44 103.07 98.47 3i1p h GLY 19 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 3i1p h GLY 19 CO 0.00 0.00 -0.73 0.61 0.00 0.00 0.00 176.54 176.42 3i1p n GLY 20 N -1.68 -2.31 0.00 4.60 0.00 -1.26 -4.86 105.19 99.68 3i1p n GLY 20 Ca 0.21 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3i1p n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1p n PHE 21 N -3.11 0.00 -3.16 1.61 0.99 -1.26 -3.15 117.46 109.37 3i1p n PHE 21 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.40 3i1p n PHE 21 Cb 0.53 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 39.02 3i1p n PHE 21 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 3i1p n LYS 22 N -0.27 -0.71 0.00 -1.08 4.81 -1.24 -1.48 118.16 118.18 3i1p n LYS 22 Ca 0.00 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 3i1p n LYS 22 Cb 0.06 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 33.90 3i1p n LYS 22 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3i1p n HIS 23 N 0.83 0.00 -1.14 5.64 1.44 0.24 -4.34 115.22 117.89 3i1p n HIS 23 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 3i1p n HIS 23 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 3i1p n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3i1p n LYS 24 N 0.00 3.94 -3.63 -1.40 4.76 -1.26 -4.08 118.16 116.48 3i1p n LYS 24 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 3i1p n LYS 24 Cb 0.00 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 3i1p n LYS 24 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3i1p s HIS 25 N 2.86 -0.17 1.22 2.13 3.76 -1.26 -4.66 115.29 119.18 3i1p s HIS 25 Ca 0.00 0.47 -0.14 0.00 -0.15 0.00 0.00 55.06 55.24 3i1p s HIS 25 Cb 0.00 -0.31 0.30 0.00 1.11 0.00 0.00 32.58 33.68 3i1p s HIS 25 CO 0.00 -0.35 0.94 0.00 -0.85 0.00 0.00 174.74 174.48 3i1p n ALA 26 N 5.32 -3.32 -2.71 -1.40 0.00 -1.26 -4.21 120.51 112.94 3i1p n ALA 26 Ca -0.05 -1.30 -0.08 0.00 0.00 0.00 0.00 53.44 52.01 3i1p n ALA 26 Cb 0.50 -1.93 0.04 0.00 0.00 0.00 0.00 19.45 18.06 3i1p n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1p n ASN 27 N -4.93 -2.16 -2.72 0.00 4.05 -1.26 -5.01 115.26 103.24 3i1p n ASN 27 Ca 0.03 -0.29 -0.04 0.00 0.45 0.00 0.00 54.58 54.72 3i1p n ASN 27 Cb 0.55 -2.72 0.03 0.00 1.23 0.00 0.00 39.78 38.88 3i1p n ASN 27 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 3i1p n LEU 28 N -2.51 -2.44 0.00 1.20 0.00 -1.26 -4.99 117.00 106.99 3i1p n LEU 28 Ca -0.13 -2.20 0.00 0.00 0.00 0.00 0.00 56.01 53.68 3i1p n LEU 28 Cb 0.58 0.68 0.00 0.00 0.00 0.00 0.00 43.42 44.68 3i1p n LEU 28 CO 0.29 1.66 0.00 -2.11 0.00 0.00 0.00 177.39 177.23 3i1p n ARG 29 N 2.42 0.00 0.00 1.96 1.85 -1.26 -5.08 116.66 116.55 3i1p n ARG 29 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 3i1p n ARG 29 Cb 0.62 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.03 3i1p n ARG 29 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3i1p n HIS 30 N 0.00 0.00 -2.27 2.89 8.25 -1.26 -4.99 115.22 117.83 3i1p n HIS 30 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3i1p n HIS 30 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 3i1p n HIS 30 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3i1p s ILE 31 N 1.86 3.98 -0.00 1.59 1.01 -1.26 -4.82 121.20 123.56 3i1p s ILE 31 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.88 3i1p s ILE 31 Cb 0.00 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3i1p s ILE 31 CO 0.00 -0.08 0.60 0.18 0.00 0.00 0.00 174.94 175.64 3i1p n LEU 32 N 6.41 0.20 -0.01 2.97 4.77 -1.26 -4.86 117.00 125.22 3i1p n LEU 32 Ca 0.14 -0.31 -0.16 0.00 -0.03 0.00 0.00 56.01 55.65 3i1p n LEU 32 Cb 0.44 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 3i1p n LEU 32 CO 0.58 0.08 0.29 0.00 -1.33 0.00 0.00 177.39 177.01 3i1p h THR 33 N 3.15 1.59 0.00 -5.08 1.03 -2.02 -3.29 112.91 108.28 3i1p h THR 33 Ca 0.00 -2.21 -0.05 0.00 -0.01 0.00 0.00 66.41 64.14 3i1p h THR 33 Cb 1.00 3.02 -0.01 0.00 -1.07 0.00 0.00 68.15 71.09 3i1p h THR 33 CO 0.00 0.60 -0.24 0.07 -0.01 0.00 0.00 175.52 175.94 3i1p h LYS 34 N -0.55 0.00 -6.62 0.00 2.10 -2.01 -3.45 116.57 106.04 3i1p h LYS 34 Ca -0.06 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.07 3i1p h LYS 34 Cb 1.19 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.58 3i1p h LYS 34 CO 0.07 0.24 1.03 0.15 -2.00 0.00 0.00 179.45 178.94 3i1p s LYS 35 N -3.39 4.13 0.40 0.07 -0.14 -1.24 -4.95 119.74 114.62 3i1p s LYS 35 Ca 0.03 2.59 -0.26 0.00 -1.36 0.00 0.00 55.97 56.97 3i1p s LYS 35 Cb 0.08 -3.19 -0.09 0.00 -1.68 0.00 0.00 37.83 32.96 3i1p s LYS 35 CO 0.66 -0.76 1.21 0.00 -0.76 0.00 0.00 175.35 175.70 3i1p s ALA 36 N 1.50 3.20 0.21 5.17 0.00 -1.26 -4.90 121.76 125.68 3i1p s ALA 36 Ca 0.76 1.06 -0.09 0.00 0.00 0.00 0.00 51.96 53.69 3i1p s ALA 36 Cb -0.49 -3.42 0.30 0.00 0.00 0.00 0.00 23.12 19.51 3i1p s ALA 36 CO 0.33 -0.62 1.75 1.79 0.00 0.00 0.00 175.76 179.02 3i1p h THR 37 N 2.41 0.79 0.01 0.00 1.35 -1.95 -1.54 112.91 113.98 3i1p h THR 37 Ca -0.49 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3i1p h THR 37 Cb 1.24 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3i1p h THR 37 CO 0.63 0.09 -0.03 0.50 -0.25 0.00 0.00 175.52 176.45 3i1p h LYS 38 N 0.47 -0.05 -1.69 4.72 3.64 -1.99 -0.16 116.57 121.51 3i1p h LYS 38 Ca 0.32 0.00 0.50 0.00 -1.27 0.00 0.00 60.65 60.21 3i1p h LYS 38 Cb 0.38 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.12 3i1p h LYS 38 CO -0.29 -0.03 1.20 -0.09 -2.27 0.00 0.00 179.45 177.96 3i1p h ARG 39 N -0.05 0.02 0.12 1.90 2.43 -1.83 0.17 114.38 117.14 3i1p h ARG 39 Ca -0.00 -0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.82 3i1p h ARG 39 Cb 0.05 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3i1p h ARG 39 CO -0.01 0.01 -1.86 0.87 -1.51 0.00 0.00 179.97 177.47 3i1p h LYS 40 N 0.02 0.26 0.00 0.20 1.57 -1.04 -3.27 116.57 114.31 3i1p h LYS 40 Ca 0.85 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3i1p h LYS 40 Cb 3.25 0.16 0.00 0.00 0.08 0.00 0.00 32.23 35.73 3i1p h LYS 40 CO -0.10 1.14 0.00 -0.09 -0.57 0.00 0.00 179.45 179.82 3i1p h ARG 41 N 0.07 0.00 0.00 3.15 1.12 0.12 0.21 114.38 119.05 3i1p h ARG 41 Ca -0.37 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.50 3i1p h ARG 41 Cb 2.04 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.00 3i1p h ARG 41 CO 0.11 0.00 -0.81 0.72 -3.11 0.00 0.00 179.97 176.89 3i1p n HIS 42 N -2.72 0.42 0.87 2.20 8.25 -0.92 -4.14 115.22 119.19 3i1p n HIS 42 Ca -0.01 0.12 0.12 0.00 -0.26 0.00 0.00 57.72 57.69 3i1p n HIS 42 Cb 0.13 -0.56 0.23 0.00 1.12 0.00 0.00 29.99 30.91 3i1p n HIS 42 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i1p n LEU 43 N -2.04 2.80 -0.08 2.41 4.32 0.72 -4.37 117.00 120.77 3i1p n LEU 43 Ca 0.03 -1.06 -0.16 0.00 -0.02 0.00 0.00 56.01 54.80 3i1p n LEU 43 Cb 0.44 -0.09 -0.12 0.00 -1.62 0.00 0.00 43.42 42.02 3i1p n LEU 43 CO 0.38 0.53 0.18 0.03 -1.22 0.00 0.00 177.39 177.29 3i1p h ARG 44 N 4.04 0.00 -7.02 3.23 3.08 -1.68 -3.43 114.38 112.60 3i1p h ARG 44 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3i1p h ARG 44 Cb 0.87 0.00 0.16 0.00 0.08 0.00 0.00 29.97 31.08 3i1p h ARG 44 CO 0.00 0.98 0.41 -0.35 -1.07 0.00 0.00 179.97 179.94 3i1p n PRO 45 N -4.57 1.11 -4.38 0.04 -0.04 -1.26 -4.97 135.00 120.93 3i1p n PRO 45 Ca -0.15 0.43 -0.33 0.00 -0.04 0.00 0.00 63.50 63.41 3i1p n PRO 45 Cb 0.52 -2.43 -0.16 0.00 -0.04 0.00 0.00 33.50 31.39 3i1p n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i1p s LYS 46 N -3.14 3.04 0.11 0.54 0.00 -1.26 -4.90 119.74 114.13 3i1p s LYS 46 Ca 0.80 -0.82 0.01 0.00 0.00 0.00 0.00 55.97 55.96 3i1p s LYS 46 Cb -0.40 -2.54 0.01 0.00 0.00 0.00 0.00 37.83 34.91 3i1p s LYS 46 CO 0.43 -0.11 0.10 0.00 0.00 0.00 0.00 175.35 175.78 3i1p n ALA 47 N 4.35 0.19 -2.31 0.59 0.00 -1.26 -4.74 120.51 117.32 3i1p n ALA 47 Ca -0.20 -0.41 -0.24 0.00 0.00 0.00 0.00 53.44 52.60 3i1p n ALA 47 Cb 0.51 0.15 -0.02 0.00 0.00 0.00 0.00 19.45 20.08 3i1p n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p s MET 48 N -2.45 2.36 0.93 0.00 0.23 -1.26 0.81 119.30 119.92 3i1p s MET 48 Ca 0.08 -1.79 -0.12 0.00 -1.03 0.00 0.00 55.69 52.83 3i1p s MET 48 Cb -0.01 -2.22 0.15 0.00 -1.53 0.00 0.00 34.83 31.22 3i1p s MET 48 CO 0.05 -0.40 1.10 0.14 -2.03 0.00 0.00 175.02 173.88 3i1p s VAL 49 N -2.63 2.39 -0.44 5.16 -7.23 -1.26 -4.84 120.40 111.55 3i1p s VAL 49 Ca 0.42 0.13 0.03 0.00 -1.81 0.00 0.00 61.98 60.74 3i1p s VAL 49 Cb -0.02 -2.65 0.13 0.00 0.56 0.00 0.00 36.38 34.40 3i1p s VAL 49 CO 0.25 -0.17 0.21 -0.94 -0.31 0.00 0.00 175.10 174.15 3i1p s SER 50 N -3.51 4.00 0.00 4.85 1.04 -1.26 -4.85 113.70 113.96 3i1p s SER 50 Ca 0.64 -2.60 0.00 0.00 0.48 0.00 0.00 55.95 54.47 3i1p s SER 50 Cb -0.18 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.68 3i1p s SER 50 CO 0.57 -0.28 0.00 1.17 0.98 0.00 0.00 173.24 175.68 3i1p n LYS 51 N 3.60 0.00 -0.35 4.02 3.00 -1.26 -2.71 118.16 124.46 3i1p n LYS 51 Ca 0.06 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.40 3i1p n LYS 51 Cb 0.35 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.47 3i1p n LYS 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i1p n GLY 52 N 0.00 -1.76 0.12 3.14 0.00 -1.26 0.79 105.19 106.21 3i1p n GLY 52 Ca 0.00 1.04 -0.02 0.00 0.00 0.00 0.00 46.02 47.04 3i1p n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i1p h ASP 53 N 0.00 0.00 -0.37 1.61 3.32 -1.91 -3.35 116.42 115.72 3i1p h ASP 53 Ca 0.40 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.53 3i1p h ASP 53 Cb 0.64 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.10 3i1p h ASP 53 CO -0.97 0.72 -0.34 0.25 -1.72 0.00 0.00 179.24 177.18 3i1p h LEU 54 N 0.00 -1.14 -2.18 1.55 5.85 0.19 -2.21 115.31 117.36 3i1p h LEU 54 Ca -0.01 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3i1p h LEU 54 Cb 1.33 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.88 3i1p h LEU 54 CO 0.09 -0.33 0.14 1.23 -0.34 0.00 0.00 178.44 179.23 3i1p h GLY 55 N -0.28 0.00 0.07 3.75 0.00 -1.65 -2.42 103.07 102.54 3i1p h GLY 55 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3i1p h GLY 55 CO -0.53 0.00 -0.03 1.41 0.00 0.00 0.00 176.54 177.39 3i1p h LEU 56 N 0.00 -0.08 -1.50 3.11 4.07 -1.63 -3.34 115.31 115.94 3i1p h LEU 56 Ca 0.00 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.14 3i1p h LEU 56 Cb 0.27 0.02 -0.06 0.00 1.08 0.00 0.00 40.66 41.97 3i1p h LEU 56 CO 0.00 0.15 0.56 0.58 -1.08 0.00 0.00 178.44 178.65 3i1p h VAL 57 N -0.52 0.74 0.00 1.22 2.07 -1.53 0.28 116.25 118.52 3i1p h VAL 57 Ca -0.01 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3i1p h VAL 57 Cb 0.07 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3i1p h VAL 57 CO 0.02 0.08 -0.01 0.40 0.02 0.00 0.00 177.57 178.08 3i1p h ILE 58 N 0.45 0.25 0.00 4.57 2.04 -1.60 0.40 117.51 123.62 3i1p h ILE 58 Ca 0.43 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.25 3i1p h ILE 58 Cb 0.99 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3i1p h ILE 58 CO -0.16 0.01 -1.41 0.00 0.00 0.00 0.00 178.15 176.59 3i1p n ALA 59 N -2.19 2.97 -0.21 1.87 0.00 0.90 -4.06 120.51 119.78 3i1p n ALA 59 Ca -0.03 -0.41 -0.08 0.00 0.00 0.00 0.00 53.44 52.93 3i1p n ALA 59 Cb 0.09 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 18.68 3i1p n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n LEU 61 N -4.20 1.00 0.00 0.00 -0.00 -0.43 -1.52 117.00 111.86 3i1p n LEU 61 Ca 0.04 -4.91 -0.10 0.00 -0.00 0.00 0.00 56.01 51.04 3i1p n LEU 61 Cb 0.32 0.43 -0.03 0.00 -0.00 0.00 0.00 43.42 44.13 3i1p n LEU 61 CO 0.43 2.13 0.69 -0.65 -0.00 0.00 0.00 177.39 179.99 3i1p h PRO 62 N 3.75 -0.32 0.43 1.47 0.11 -1.76 -3.13 132.00 132.54 3i1p h PRO 62 Ca 0.10 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 3i1p h PRO 62 Cb 0.85 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3i1p h PRO 62 CO 0.54 -0.22 -0.21 1.88 -0.21 0.00 0.00 178.00 179.79 3i1p h TYR 63 N -0.33 -0.53 0.00 0.65 0.05 -1.94 -3.52 116.97 111.35 3i1p h TYR 63 Ca 0.10 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.87 3i1p h TYR 63 Cb 0.48 0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.40 3i1p h TYR 63 CO -0.36 -0.33 0.00 0.00 -1.05 0.00 0.00 178.16 176.42