#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t s LYS 2 N 0.00 4.43 0.44 -0.52 -2.85 -1.26 -4.95 119.74 115.04 3i1t s LYS 2 Ca 0.00 1.82 -0.16 0.00 -1.00 0.00 0.00 55.97 56.63 3i1t s LYS 2 Cb 0.00 -3.31 -0.13 0.00 -2.06 0.00 0.00 37.83 32.32 3i1t s LYS 2 CO 0.00 -0.24 -0.10 -0.89 0.10 0.00 0.00 175.35 174.22 3i1t n ILE 3 N 3.65 0.03 -4.41 3.79 5.41 -1.26 -4.98 119.36 121.59 3i1t n ILE 3 Ca 0.08 -0.45 -0.34 0.00 1.00 0.00 0.00 62.75 63.05 3i1t n ILE 3 Cb 0.46 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.25 3i1t n ILE 3 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3i1t s LYS 4 N -0.89 3.43 0.13 0.38 2.20 -1.26 -5.01 119.74 118.71 3i1t s LYS 4 Ca 0.51 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 55.19 3i1t s LYS 4 Cb -0.45 -2.80 -0.06 0.00 -1.51 0.00 0.00 37.83 33.00 3i1t s LYS 4 CO 0.59 0.08 0.92 0.99 -0.36 0.00 0.00 175.35 177.57 3i1t s THR 5 N 0.73 4.45 -0.95 3.43 2.01 -1.26 -4.94 115.64 119.11 3i1t s THR 5 Ca -0.04 2.00 -0.26 0.00 0.31 0.00 0.00 61.69 63.71 3i1t s THR 5 Cb -0.15 -4.29 -0.16 0.00 0.01 0.00 0.00 72.50 67.91 3i1t s THR 5 CO 0.02 0.36 2.20 -0.69 -0.69 0.00 0.00 174.62 175.83 3i1t s VAL 6 N -0.27 3.12 0.38 3.82 1.01 -0.11 -4.76 120.40 123.58 3i1t s VAL 6 Ca 0.44 -0.15 0.16 0.00 0.00 0.00 0.00 61.98 62.44 3i1t s VAL 6 Cb -0.23 -3.64 0.37 0.00 0.00 0.00 0.00 36.38 32.88 3i1t s VAL 6 CO 0.29 -0.23 1.76 -0.09 0.00 0.00 0.00 175.10 176.83 3i1t h ARG 7 N 11.85 0.43 -0.00 2.72 9.65 -1.92 0.33 114.38 137.44 3i1t h ARG 7 Ca 0.04 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3i1t h ARG 7 Cb 0.99 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.48 3i1t h ARG 7 CO 1.05 0.28 -0.00 0.78 2.80 0.00 0.00 179.97 184.89 3i1t h GLY 8 N 0.44 -1.40 1.09 2.80 0.00 -1.97 -2.81 103.07 101.22 3i1t h GLY 8 Ca 0.60 0.60 0.10 0.00 0.00 0.00 0.00 47.33 48.63 3i1t h GLY 8 CO -0.33 -0.53 0.38 0.00 0.00 0.00 0.00 176.54 176.05 3i1t h ALA 9 N -1.49 2.08 0.00 3.60 0.00 -1.33 0.27 119.26 122.38 3i1t h ALA 9 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i1t h ALA 9 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3i1t h ALA 9 CO -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.05 3i1t n ALA 10 N -2.54 1.37 0.37 0.00 0.00 -0.78 -1.22 120.51 117.72 3i1t n ALA 10 Ca 0.09 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.72 3i1t n ALA 10 Cb 0.38 -1.27 0.19 0.00 0.00 0.00 0.00 19.45 18.75 3i1t n ALA 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1t n LYS 11 N -1.97 2.39 -0.21 0.00 5.02 0.95 -4.34 118.16 120.01 3i1t n LYS 11 Ca 0.01 -2.18 0.01 0.00 -2.02 0.00 0.00 58.31 54.13 3i1t n LYS 11 Cb 0.12 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 3i1t n LYS 11 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3i1t n ARG 12 N 1.39 0.26 -4.15 1.97 0.00 -0.36 -5.07 116.66 110.70 3i1t n ARG 12 Ca 0.18 -0.88 -0.18 0.00 -0.00 0.00 0.00 57.85 56.97 3i1t n ARG 12 Cb 0.58 -0.59 -0.15 0.00 -0.00 0.00 0.00 32.46 32.30 3i1t n ARG 12 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3i1t s PHE 13 N -0.22 0.59 -0.14 2.89 0.08 -0.68 -4.37 117.98 116.12 3i1t s PHE 13 Ca 0.02 -0.13 -0.04 0.00 0.12 0.00 0.00 56.93 56.90 3i1t s PHE 13 Cb 0.02 -0.48 0.07 0.00 -0.57 0.00 0.00 43.02 42.05 3i1t s PHE 13 CO 0.00 -0.10 0.24 0.21 -0.10 0.00 0.00 175.22 175.48 3i1t s LYS 14 N 0.46 0.14 1.18 0.44 2.36 -0.50 -4.80 119.74 119.02 3i1t s LYS 14 Ca -0.05 0.61 -0.18 0.00 -2.55 0.00 0.00 55.97 53.80 3i1t s LYS 14 Cb -0.09 -0.31 0.28 0.00 -1.05 0.00 0.00 37.83 36.66 3i1t s LYS 14 CO -0.00 -0.37 1.09 0.21 1.55 0.00 0.00 175.35 177.83 3i1t s LYS 15 N 2.39 -1.05 0.00 4.03 2.20 -1.26 -3.79 119.74 122.26 3i1t s LYS 15 Ca 0.03 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 3i1t s LYS 15 Cb -0.13 -1.60 0.00 0.00 -1.51 0.00 0.00 37.83 34.59 3i1t s LYS 15 CO -0.09 -3.62 0.00 0.25 -0.36 0.00 0.00 175.35 171.53 3i1t n THR 16 N -4.72 0.00 -1.73 3.43 -2.24 -1.11 -4.89 114.28 103.01 3i1t n THR 16 Ca 0.11 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.52 3i1t n THR 16 Cb 0.59 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.87 3i1t n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1t n GLY 17 N 1.41 5.71 0.00 3.38 0.00 -1.26 -4.94 105.19 109.49 3i1t n GLY 17 Ca 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 46.02 43.58 3i1t n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1t n LYS 18 N -0.69 0.00 -0.36 1.61 3.00 -1.26 -4.99 118.16 115.48 3i1t n LYS 18 Ca 0.56 0.00 0.37 0.00 -0.00 0.00 0.00 58.31 59.24 3i1t n LYS 18 Cb 0.44 0.00 0.67 0.00 0.00 0.00 0.00 35.03 36.14 3i1t n LYS 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 3i1t h GLY 19 N 0.00 0.00 -2.78 3.14 0.00 -2.02 -3.43 103.07 97.98 3i1t h GLY 19 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3i1t h GLY 19 CO 0.00 0.00 -0.79 0.61 0.00 0.00 0.00 176.54 176.36 3i1t n GLY 20 N -1.77 -2.40 0.00 4.60 0.00 -1.26 -4.83 105.19 99.54 3i1t n GLY 20 Ca 0.29 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3i1t n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1t n PHE 21 N -2.45 0.00 -2.62 1.61 0.99 -1.26 -2.77 117.46 110.96 3i1t n PHE 21 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.52 3i1t n PHE 21 Cb 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.99 3i1t n PHE 21 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 3i1t n LYS 22 N -0.21 -0.70 0.00 -1.08 4.81 -1.25 -1.41 118.16 118.33 3i1t n LYS 22 Ca 0.00 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 3i1t n LYS 22 Cb 0.06 -0.73 0.00 0.00 0.02 0.00 0.00 35.03 34.38 3i1t n LYS 22 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3i1t n HIS 23 N 1.78 0.00 -2.06 5.64 1.44 0.18 -4.03 115.22 118.18 3i1t n HIS 23 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3i1t n HIS 23 Cb 0.18 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.29 3i1t n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3i1t n LYS 24 N 0.00 2.97 -3.77 -1.40 4.76 -1.26 -4.20 118.16 115.26 3i1t n LYS 24 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 3i1t n LYS 24 Cb 0.00 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.02 3i1t n LYS 24 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3i1t s HIS 25 N 1.94 0.97 1.33 2.13 3.76 -1.26 -4.70 115.29 119.46 3i1t s HIS 25 Ca 0.00 -0.60 -0.20 0.00 -0.15 0.00 0.00 55.06 54.11 3i1t s HIS 25 Cb 0.00 -0.98 0.32 0.00 1.11 0.00 0.00 32.58 33.03 3i1t s HIS 25 CO 0.00 -0.49 0.75 0.00 -0.85 0.00 0.00 174.74 174.15 3i1t n ALA 26 N 5.07 -3.92 -3.09 -1.40 0.00 -1.26 -4.21 120.51 111.69 3i1t n ALA 26 Ca -0.09 -1.64 -0.13 0.00 0.00 0.00 0.00 53.44 51.58 3i1t n ALA 26 Cb 0.48 -1.50 0.07 0.00 0.00 0.00 0.00 19.45 18.50 3i1t n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1t n ASN 27 N -4.60 -3.06 -2.70 0.00 4.05 -1.26 -4.96 115.26 102.73 3i1t n ASN 27 Ca 0.10 -0.52 -0.04 0.00 0.45 0.00 0.00 54.58 54.56 3i1t n ASN 27 Cb 0.54 -4.28 0.04 0.00 1.23 0.00 0.00 39.78 37.32 3i1t n ASN 27 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 3i1t n LEU 28 N -3.37 -1.96 0.00 1.20 0.00 -1.26 -4.97 117.00 106.64 3i1t n LEU 28 Ca -0.19 -1.78 0.00 0.00 0.00 0.00 0.00 56.01 54.04 3i1t n LEU 28 Cb 0.63 0.62 0.00 0.00 0.00 0.00 0.00 43.42 44.67 3i1t n LEU 28 CO 0.49 1.51 0.00 -2.11 0.00 0.00 0.00 177.39 177.28 3i1t n ARG 29 N 2.29 0.00 0.00 1.96 1.85 -1.26 -5.08 116.66 116.42 3i1t n ARG 29 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 3i1t n ARG 29 Cb 0.64 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.05 3i1t n ARG 29 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3i1t n HIS 30 N 0.00 0.00 -2.16 2.89 8.25 -1.26 -5.00 115.22 117.93 3i1t n HIS 30 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3i1t n HIS 30 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3i1t n HIS 30 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3i1t s ILE 31 N 2.56 3.55 0.00 1.59 1.01 -1.26 -4.79 121.20 123.85 3i1t s ILE 31 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 60.65 61.62 3i1t s ILE 31 Cb 0.00 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3i1t s ILE 31 CO 0.00 0.01 0.42 0.18 0.00 0.00 0.00 174.94 175.55 3i1t n LEU 32 N 5.26 0.00 -0.00 2.97 4.77 -1.26 -4.82 117.00 123.91 3i1t n LEU 32 Ca 0.13 -0.08 -0.18 0.00 -0.03 0.00 0.00 56.01 55.86 3i1t n LEU 32 Cb 0.43 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.38 3i1t n LEU 32 CO 0.59 0.08 0.08 0.00 -1.33 0.00 0.00 177.39 176.80 3i1t h THR 33 N 3.00 1.52 0.00 -5.08 1.03 -2.02 -3.32 112.91 108.04 3i1t h THR 33 Ca 0.00 -2.44 -0.01 0.00 -0.01 0.00 0.00 66.41 63.95 3i1t h THR 33 Cb 1.00 3.16 -0.00 0.00 -1.07 0.00 0.00 68.15 71.24 3i1t h THR 33 CO 0.00 0.66 -0.04 0.07 -0.01 0.00 0.00 175.52 176.19 3i1t h LYS 34 N -0.62 0.00 -6.66 0.00 2.10 -2.00 -3.44 116.57 105.95 3i1t h LYS 34 Ca -0.12 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.00 3i1t h LYS 34 Cb 1.42 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.80 3i1t h LYS 34 CO 0.07 0.04 0.90 0.15 -2.00 0.00 0.00 179.45 178.61 3i1t s LYS 35 N -3.46 4.19 0.55 0.07 -0.14 -1.25 -4.97 119.74 114.72 3i1t s LYS 35 Ca 0.03 2.44 -0.19 0.00 -1.36 0.00 0.00 55.97 56.89 3i1t s LYS 35 Cb 0.07 -3.11 -0.05 0.00 -1.68 0.00 0.00 37.83 33.06 3i1t s LYS 35 CO 0.61 -0.62 1.15 0.00 -0.76 0.00 0.00 175.35 175.73 3i1t s ALA 36 N 0.86 2.67 0.16 5.17 0.00 -1.26 -4.93 121.76 124.42 3i1t s ALA 36 Ca 0.69 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 53.39 3i1t s ALA 36 Cb -0.46 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.32 3i1t s ALA 36 CO 0.35 -0.88 1.75 1.79 0.00 0.00 0.00 175.76 178.77 3i1t h THR 37 N 1.14 1.18 0.05 0.00 1.35 -1.96 -2.22 112.91 112.47 3i1t h THR 37 Ca -0.50 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 3i1t h THR 37 Cb 1.27 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 3i1t h THR 37 CO 0.57 0.20 -0.14 0.50 -0.25 0.00 0.00 175.52 176.40 3i1t h LYS 38 N 0.66 -0.20 -0.66 4.72 3.64 -1.99 -0.82 116.57 121.92 3i1t h LYS 38 Ca 0.17 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.76 3i1t h LYS 38 Cb 0.10 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3i1t h LYS 38 CO -0.02 -0.14 0.65 -0.09 -2.27 0.00 0.00 179.45 177.58 3i1t h ARG 39 N -0.21 0.00 0.06 1.90 2.43 -1.93 -0.75 114.38 115.88 3i1t h ARG 39 Ca -0.01 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 3i1t h ARG 39 Cb 0.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3i1t h ARG 39 CO -0.06 0.00 -1.13 0.87 -1.51 0.00 0.00 179.97 178.13 3i1t h LYS 40 N 0.00 0.12 -0.06 0.20 1.57 -1.25 -3.25 116.57 113.90 3i1t h LYS 40 Ca 0.31 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3i1t h LYS 40 Cb 1.62 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 34.00 3i1t h LYS 40 CO -0.00 1.10 0.30 -0.09 -0.57 0.00 0.00 179.45 180.19 3i1t h ARG 41 N -0.64 0.00 0.00 3.15 1.12 0.35 1.88 114.38 120.25 3i1t h ARG 41 Ca -0.27 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.60 3i1t h ARG 41 Cb 1.49 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.45 3i1t h ARG 41 CO -0.04 0.00 -0.80 0.72 -3.11 0.00 0.00 179.97 176.74 3i1t n HIS 42 N -3.07 0.31 1.20 2.20 8.25 -0.92 -4.03 115.22 119.16 3i1t n HIS 42 Ca -0.01 0.09 0.13 0.00 -0.26 0.00 0.00 57.72 57.67 3i1t n HIS 42 Cb 0.37 -0.47 0.28 0.00 1.12 0.00 0.00 29.99 31.29 3i1t n HIS 42 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i1t n LEU 43 N -1.92 2.38 -0.04 2.41 4.32 0.64 -4.39 117.00 120.40 3i1t n LEU 43 Ca 0.03 -0.80 -0.05 0.00 -0.02 0.00 0.00 56.01 55.17 3i1t n LEU 43 Cb 0.42 -0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.17 3i1t n LEU 43 CO 0.38 0.40 0.15 0.03 -1.22 0.00 0.00 177.39 177.13 3i1t h ARG 44 N 3.73 -0.03 -6.85 3.23 3.08 -1.61 -3.43 114.38 112.50 3i1t h ARG 44 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3i1t h ARG 44 Cb 0.79 0.01 0.17 0.00 0.08 0.00 0.00 29.97 31.02 3i1t h ARG 44 CO 0.00 0.31 0.05 -0.35 -1.07 0.00 0.00 179.97 178.90 3i1t n PRO 45 N -4.75 0.68 -4.55 0.04 -0.04 -1.26 -4.93 135.00 120.19 3i1t n PRO 45 Ca -0.04 0.28 -0.33 0.00 -0.04 0.00 0.00 63.50 63.37 3i1t n PRO 45 Cb 0.17 -2.14 -0.15 0.00 -0.04 0.00 0.00 33.50 31.34 3i1t n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i1t s LYS 46 N -2.94 3.22 0.34 0.54 0.00 -1.26 -4.89 119.74 114.75 3i1t s LYS 46 Ca 0.74 -0.75 0.04 0.00 0.00 0.00 0.00 55.97 56.01 3i1t s LYS 46 Cb -0.38 -2.62 0.04 0.00 0.00 0.00 0.00 37.83 34.87 3i1t s LYS 46 CO 0.49 0.03 0.35 0.00 0.00 0.00 0.00 175.35 176.22 3i1t n ALA 47 N 4.02 0.62 -2.46 0.59 0.00 -1.26 -4.75 120.51 117.27 3i1t n ALA 47 Ca -0.19 -1.32 -0.22 0.00 0.00 0.00 0.00 53.44 51.71 3i1t n ALA 47 Cb 0.52 0.47 -0.05 0.00 0.00 0.00 0.00 19.45 20.38 3i1t n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t s MET 48 N -3.47 2.46 1.18 0.00 0.23 -1.26 0.52 119.30 118.96 3i1t s MET 48 Ca 0.27 -1.52 -0.13 0.00 -1.03 0.00 0.00 55.69 53.28 3i1t s MET 48 Cb -0.02 -2.25 0.29 0.00 -1.53 0.00 0.00 34.83 31.32 3i1t s MET 48 CO 0.17 0.03 1.02 0.14 -2.03 0.00 0.00 175.02 174.36 3i1t s VAL 49 N -2.42 2.00 -0.51 5.16 -7.23 -1.26 -4.86 120.40 111.28 3i1t s VAL 49 Ca 0.40 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.61 3i1t s VAL 49 Cb -0.03 -2.02 0.15 0.00 0.56 0.00 0.00 36.38 35.05 3i1t s VAL 49 CO 0.24 -0.00 0.33 -0.94 -0.31 0.00 0.00 175.10 174.42 3i1t s SER 50 N -2.43 3.63 0.00 4.85 1.04 -1.26 -4.86 113.70 114.67 3i1t s SER 50 Ca 0.69 -3.06 0.00 0.00 0.48 0.00 0.00 55.95 54.05 3i1t s SER 50 Cb -0.26 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.72 3i1t s SER 50 CO 0.65 -0.20 0.00 1.17 0.98 0.00 0.00 173.24 175.84 3i1t n LYS 51 N 2.96 0.00 -0.35 4.02 3.00 -1.26 -3.15 118.16 123.39 3i1t n LYS 51 Ca 0.15 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.39 3i1t n LYS 51 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.35 3i1t n LYS 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i1t n GLY 52 N 0.00 -2.09 0.22 3.14 0.00 -1.26 0.03 105.19 105.23 3i1t n GLY 52 Ca 0.00 1.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.95 3i1t n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i1t h ASP 53 N 0.00 0.53 -0.85 1.61 3.32 -1.94 -3.33 116.42 115.76 3i1t h ASP 53 Ca 0.18 -0.25 0.14 0.00 0.02 0.00 0.00 57.03 57.13 3i1t h ASP 53 Cb 0.40 -0.15 -0.15 0.00 0.22 0.00 0.00 39.33 39.65 3i1t h ASP 53 CO -0.82 0.91 -0.35 0.25 -1.72 0.00 0.00 179.24 177.51 3i1t h LEU 54 N 0.40 -1.26 -0.76 1.55 5.85 -0.62 -0.83 115.31 119.66 3i1t h LEU 54 Ca 0.03 0.28 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3i1t h LEU 54 Cb 0.94 0.67 0.00 0.00 0.37 0.00 0.00 40.66 42.64 3i1t h LEU 54 CO 0.08 -0.29 0.00 0.61 -0.34 0.00 0.00 178.44 178.50 3i1t n GLY 55 N -1.48 -0.81 0.06 3.75 0.00 -1.17 -1.56 105.19 103.99 3i1t n GLY 55 Ca 0.09 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 3i1t n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i1t h LEU 56 N 0.00 0.00 -1.53 0.99 4.07 -1.38 -3.35 115.31 114.12 3i1t h LEU 56 Ca 0.00 -0.08 0.10 0.00 0.08 0.00 0.00 57.88 57.98 3i1t h LEU 56 Cb 0.07 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.76 3i1t h LEU 56 CO 0.00 0.65 0.45 0.58 -1.08 0.00 0.00 178.44 179.04 3i1t h VAL 57 N -1.00 0.91 -0.04 1.22 2.07 -1.40 0.72 116.25 118.74 3i1t h VAL 57 Ca -0.01 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.34 3i1t h VAL 57 Cb 0.27 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3i1t h VAL 57 CO -0.01 0.10 0.03 0.40 0.02 0.00 0.00 177.57 178.11 3i1t h ILE 58 N 0.53 0.70 0.00 4.57 2.04 -1.45 0.15 117.51 124.05 3i1t h ILE 58 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.17 3i1t h ILE 58 Cb 0.51 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3i1t h ILE 58 CO -0.10 0.00 -0.81 0.00 0.00 0.00 0.00 178.15 177.23 3i1t n ALA 59 N -2.41 2.95 0.07 1.87 0.00 0.25 -3.93 120.51 119.30 3i1t n ALA 59 Ca -0.02 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 3i1t n ALA 59 Cb 0.13 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 3i1t n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n LEU 61 N -3.39 -0.27 0.30 0.00 -0.00 -0.81 -0.94 117.00 111.89 3i1t n LEU 61 Ca -0.03 -4.45 -0.18 0.00 -0.00 0.00 0.00 56.01 51.35 3i1t n LEU 61 Cb 0.97 0.52 -0.09 0.00 -0.00 0.00 0.00 43.42 44.82 3i1t n LEU 61 CO 0.49 1.89 0.57 -0.65 -0.00 0.00 0.00 177.39 179.69 3i1t h PRO 62 N 5.35 -0.92 0.59 1.47 0.11 -1.78 -3.30 132.00 133.51 3i1t h PRO 62 Ca 0.23 0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.38 3i1t h PRO 62 Cb 0.90 0.21 0.01 0.00 0.11 0.00 0.00 31.00 32.23 3i1t h PRO 62 CO 0.40 -0.62 -0.28 1.88 -0.21 0.00 0.00 178.00 179.17 3i1t h TYR 63 N -0.96 -0.73 0.00 0.65 0.05 -1.94 -3.52 116.97 110.53 3i1t h TYR 63 Ca -0.06 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.70 3i1t h TYR 63 Cb 0.82 0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.80 3i1t h TYR 63 CO -0.20 -0.45 0.00 0.00 -1.05 0.00 0.00 178.16 176.46