#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n ARG 2 N 0.00 0.00 0.00 3.17 1.74 -1.26 -5.00 116.66 115.31 3i20 n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i20 n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i20 n ARG 2 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3i20 n HIS 3 N 0.00 0.00 -0.38 -1.55 8.25 -1.26 0.58 115.22 120.87 3i20 n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i20 n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i20 n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i20 n ARG 4 N 0.00 0.00 -2.89 -0.41 5.12 -1.26 -5.02 116.66 112.20 3i20 n ARG 4 Ca 0.00 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.55 3i20 n ARG 4 Cb 0.00 -1.68 -0.06 0.00 -1.16 0.00 0.00 32.46 29.56 3i20 n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i20 s LYS 5 N -0.13 4.52 0.24 5.56 1.02 0.20 -5.07 119.74 126.07 3i20 s LYS 5 Ca 0.00 1.20 0.09 0.00 0.02 0.00 0.00 55.97 57.28 3i20 s LYS 5 Cb 0.00 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 3i20 s LYS 5 CO 0.00 0.38 0.01 -1.54 -0.92 0.00 0.00 175.35 173.28 3i20 s SER 6 N -1.51 4.66 0.00 2.83 1.04 -1.26 -5.03 113.70 114.43 3i20 s SER 6 Ca 0.45 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3i20 s SER 6 Cb -0.20 -0.92 0.00 0.00 0.10 0.00 0.00 66.02 65.00 3i20 s SER 6 CO 0.24 0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.10 3i20 n GLY 7 N -0.65 2.49 3.70 7.32 0.00 -1.26 -5.09 105.19 111.70 3i20 n GLY 7 Ca -0.08 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 3i20 n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i20 s ARG 8 N -1.03 4.47 0.00 1.61 3.52 -1.26 -4.91 118.95 121.34 3i20 s ARG 8 Ca 0.00 1.48 0.27 0.00 -0.13 0.00 0.00 55.73 57.35 3i20 s ARG 8 Cb 0.00 -3.49 0.93 0.00 -1.56 0.00 0.00 34.95 30.83 3i20 s ARG 8 CO 0.00 -0.23 1.71 0.94 -0.81 0.00 0.00 175.30 176.92 3i20 n GLN 9 N 4.50 0.02 -3.79 5.12 7.27 -1.26 -4.91 117.38 124.34 3i20 n GLN 9 Ca 0.08 -0.01 -0.29 0.00 0.07 0.00 0.00 57.00 56.85 3i20 n GLN 9 Cb 0.49 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.58 3i20 n GLN 9 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3i20 n LEU 10 N -1.49 -0.65 -4.28 1.69 7.99 -1.26 -1.91 117.00 117.10 3i20 n LEU 10 Ca 0.07 -0.93 -0.35 0.00 -0.01 0.00 0.00 56.01 54.78 3i20 n LEU 10 Cb 0.34 -1.18 -0.05 0.00 -0.11 0.00 0.00 43.42 42.41 3i20 n LEU 10 CO 0.30 0.16 -0.18 0.59 -1.51 0.00 0.00 177.39 176.75 3i20 n ASN 11 N -1.76 -1.58 -0.38 -1.43 5.03 -1.26 -4.87 115.26 109.00 3i20 n ASN 11 Ca -0.02 -1.12 0.00 0.00 0.87 0.00 0.00 54.58 54.31 3i20 n ASN 11 Cb 0.39 -2.30 0.00 0.00 -1.02 0.00 0.00 39.78 36.85 3i20 n ASN 11 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i20 n ARG 12 N -4.35 0.00 -4.10 3.52 1.74 -0.80 -5.13 116.66 107.54 3i20 n ARG 12 Ca -0.06 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.93 3i20 n ARG 12 Cb 0.56 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.89 3i20 n ARG 12 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i20 s ASN 13 N 0.39 0.73 0.24 0.55 4.22 -1.26 -4.97 114.94 114.84 3i20 s ASN 13 Ca 0.00 -0.89 -0.09 0.00 -2.14 0.00 0.00 52.86 49.74 3i20 s ASN 13 Cb 0.00 0.13 0.36 0.00 1.28 0.00 0.00 41.25 43.02 3i20 s ASN 13 CO 0.00 -0.47 1.39 -1.20 -2.04 0.00 0.00 177.10 174.78 3i20 n SER 14 N 0.40 -0.39 0.00 3.54 7.64 -1.26 -1.54 113.62 122.01 3i20 n SER 14 Ca -0.16 1.54 0.00 0.00 1.01 0.00 0.00 58.87 61.26 3i20 n SER 14 Cb 0.59 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3i20 n SER 14 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3i20 n SER 15 N -5.42 0.00 -0.31 6.43 7.64 -1.26 -2.08 113.62 118.62 3i20 n SER 15 Ca 0.13 0.22 0.07 0.00 1.01 0.00 0.00 58.87 60.30 3i20 n SER 15 Cb 0.42 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.77 3i20 n SER 15 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3i20 n HIS 16 N -0.40 0.36 0.00 1.43 -0.00 -0.59 -2.13 115.22 113.89 3i20 n HIS 16 Ca 0.00 1.04 0.00 0.00 -0.00 0.00 0.00 57.72 58.76 3i20 n HIS 16 Cb 0.00 -1.03 0.00 0.00 -0.00 0.00 0.00 29.99 28.96 3i20 n HIS 16 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3i20 n ARG 17 N -5.36 0.00 -0.01 1.57 1.74 -0.94 -1.02 116.66 112.64 3i20 n ARG 17 Ca 0.15 0.49 -0.00 0.00 -0.77 0.00 0.00 57.85 57.72 3i20 n ARG 17 Cb 0.48 -1.26 -0.00 0.00 -1.02 0.00 0.00 32.46 30.66 3i20 n ARG 17 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i20 n GLN 18 N -1.64 -0.01 -0.11 5.56 7.27 -0.88 -0.76 117.38 126.81 3i20 n GLN 18 Ca 0.00 0.42 -0.03 0.00 0.07 0.00 0.00 57.00 57.46 3i20 n GLN 18 Cb 0.00 -0.63 -0.03 0.00 2.41 0.00 0.00 30.24 32.00 3i20 n GLN 18 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i20 n ALA 19 N -2.46 -0.17 -0.22 1.69 0.00 -0.91 0.18 120.51 118.62 3i20 n ALA 19 Ca 0.00 0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.75 3i20 n ALA 19 Cb 0.00 0.19 0.35 0.00 0.00 0.00 0.00 19.45 20.00 3i20 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 h MET 20 N 0.00 0.74 0.00 0.00 -0.00 0.70 0.11 114.93 116.47 3i20 h MET 20 Ca 0.04 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 3i20 h MET 20 Cb 0.11 -0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 31.54 3i20 h MET 20 CO -0.25 0.49 -0.23 0.74 -0.00 0.00 0.00 176.91 177.66 3i20 h PHE 21 N 0.76 0.00 0.47 -0.10 -1.00 0.13 -0.19 116.94 117.01 3i20 h PHE 21 Ca 0.37 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.12 3i20 h PHE 21 Cb 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.98 3i20 h PHE 21 CO -0.00 0.23 -0.25 -0.09 -1.61 0.00 0.00 178.31 176.59 3i20 h ARG 22 N 0.00 -0.63 -0.59 1.51 2.43 0.23 -0.44 114.38 116.89 3i20 h ARG 22 Ca -0.00 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3i20 h ARG 22 Cb 1.10 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 3i20 h ARG 22 CO 0.03 -0.42 0.39 -0.91 -1.51 0.00 0.00 179.97 177.55 3i20 h ASN 23 N -0.66 0.52 -0.29 -3.80 -0.26 -1.35 0.34 115.58 110.08 3i20 h ASN 23 Ca -0.06 -0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.56 3i20 h ASN 23 Cb 0.51 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.65 3i20 h ASN 23 CO 0.09 0.34 -0.25 -0.03 -1.06 0.00 0.00 177.43 176.52 3i20 h MET 24 N 0.59 0.78 -0.74 0.81 4.05 -1.01 -0.98 114.93 118.44 3i20 h MET 24 Ca 0.25 -0.33 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 3i20 h MET 24 Cb 0.24 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 3i20 h MET 24 CO -0.07 0.95 0.28 0.00 0.23 0.00 0.00 176.91 178.29 3i20 h ALA 25 N 1.04 1.08 0.58 0.39 0.00 0.14 -1.31 119.26 121.18 3i20 h ALA 25 Ca 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3i20 h ALA 25 Cb 0.77 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3i20 h ALA 25 CO 0.06 0.64 -0.28 0.78 0.00 0.00 0.00 179.25 180.45 3i20 h GLY 26 N 1.12 -0.82 -0.55 0.00 0.00 -1.07 -1.83 103.07 99.92 3i20 h GLY 26 Ca 0.25 0.30 0.27 0.00 0.00 0.00 0.00 47.33 48.15 3i20 h GLY 26 CO -0.02 -0.30 0.31 1.76 0.00 0.00 0.00 176.54 178.29 3i20 h SER 27 N -0.83 0.08 -0.62 0.19 0.02 -1.09 1.07 113.55 112.38 3i20 h SER 27 Ca -0.08 0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3i20 h SER 27 Cb 0.60 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 3i20 h SER 27 CO 0.13 -0.19 0.14 0.25 -1.14 0.00 0.00 176.83 176.03 3i20 h LEU 28 N 0.20 0.94 -0.87 5.07 5.85 -1.19 0.13 115.31 125.45 3i20 h LEU 28 Ca 0.61 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 59.02 3i20 h LEU 28 Cb 1.31 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3i20 h LEU 28 CO -0.68 0.94 -0.36 0.58 -0.34 0.00 0.00 178.44 178.58 3i20 h VAL 29 N 0.91 0.81 0.15 1.05 2.07 0.79 0.40 116.25 122.42 3i20 h VAL 29 Ca 0.19 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 3i20 h VAL 29 Cb 0.37 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3i20 h VAL 29 CO 0.00 0.35 -0.07 -0.09 0.02 0.00 0.00 177.57 177.78 3i20 h ARG 30 N 0.00 -0.19 -0.01 1.57 2.43 0.15 -3.37 114.38 114.96 3i20 h ARG 30 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i20 h ARG 30 Cb 0.92 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3i20 h ARG 30 CO 0.05 -0.13 -0.18 0.72 -1.51 0.00 0.00 179.97 178.92 3i20 n HIS 31 N -3.28 0.00 -0.11 2.20 8.25 0.41 -4.93 115.22 117.77 3i20 n HIS 31 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3i20 n HIS 31 Cb 0.08 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3i20 n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3i20 n GLU 32 N -0.42 0.00 -3.74 -0.41 1.02 0.14 -4.81 120.64 112.42 3i20 n GLU 32 Ca 0.14 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.16 3i20 n GLU 32 Cb 0.35 -3.93 -0.11 0.00 -0.02 0.00 0.00 31.44 27.73 3i20 n GLU 32 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i20 s ILE 33 N -0.95 -0.01 0.03 -3.67 1.09 -1.26 -0.40 121.20 116.03 3i20 s ILE 33 Ca 0.00 0.04 -0.03 0.00 -1.10 0.00 0.00 60.65 59.56 3i20 s ILE 33 Cb 0.00 -0.51 -0.02 0.00 -1.06 0.00 0.00 42.46 40.87 3i20 s ILE 33 CO 0.00 0.02 0.03 0.27 -0.10 0.00 0.00 174.94 175.16 3i20 s ILE 34 N 0.59 0.14 -0.11 2.92 -4.36 -0.41 -4.94 121.20 115.03 3i20 s ILE 34 Ca -0.03 -1.16 -0.10 0.00 -0.26 0.00 0.00 60.65 59.09 3i20 s ILE 34 Cb -0.05 -0.79 -0.05 0.00 1.25 0.00 0.00 42.46 42.82 3i20 s ILE 34 CO -0.04 -0.64 0.23 -0.75 0.24 0.00 0.00 174.94 173.99 3i20 s LYS 35 N -2.44 3.78 0.26 0.37 2.20 -1.26 -1.27 119.74 121.38 3i20 s LYS 35 Ca -0.07 0.03 -0.21 0.00 -0.36 0.00 0.00 55.97 55.36 3i20 s LYS 35 Cb -0.02 -3.26 0.03 0.00 -1.51 0.00 0.00 37.83 33.06 3i20 s LYS 35 CO -0.04 0.61 0.71 -0.08 -0.36 0.00 0.00 175.35 176.19 3i20 s THR 36 N -0.63 0.00 0.62 3.43 -1.32 0.02 -5.00 115.64 112.76 3i20 s THR 36 Ca 0.17 -0.86 -0.18 0.00 -1.21 0.00 0.00 61.69 59.60 3i20 s THR 36 Cb -0.13 -1.87 -0.03 0.00 -1.51 0.00 0.00 72.50 68.96 3i20 s THR 36 CO 0.06 0.00 1.15 0.35 -2.21 0.00 0.00 174.62 173.97 3i20 n THR 37 N -0.45 4.32 -0.14 5.08 -2.24 -1.26 -0.58 114.28 119.01 3i20 n THR 37 Ca -0.06 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 3i20 n THR 37 Cb 0.60 -1.35 -0.01 0.00 -2.10 0.00 0.00 70.33 67.47 3i20 n THR 37 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3i20 h LEU 38 N 0.57 0.69 -0.41 3.22 5.85 -1.60 -1.94 115.31 121.70 3i20 h LEU 38 Ca -0.50 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 57.93 3i20 h LEU 38 Cb 1.35 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3i20 h LEU 38 CO 0.52 0.81 0.26 -0.65 -0.34 0.00 0.00 178.44 179.04 3i20 h PRO 39 N 0.56 0.55 0.41 5.25 0.11 -1.92 -1.36 132.00 135.59 3i20 h PRO 39 Ca 0.12 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3i20 h PRO 39 Cb 0.44 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 3i20 h PRO 39 CO 0.02 0.39 -0.39 0.87 -0.21 0.00 0.00 178.00 178.67 3i20 h LYS 40 N 0.55 -0.76 -0.88 1.05 1.57 -1.87 -1.26 116.57 114.97 3i20 h LYS 40 Ca 0.15 0.05 0.27 0.00 -1.87 0.00 0.00 60.65 59.25 3i20 h LYS 40 Cb -0.03 0.17 -0.16 0.00 0.08 0.00 0.00 32.23 32.29 3i20 h LYS 40 CO -0.03 -0.51 0.11 0.00 -0.57 0.00 0.00 179.45 178.46 3i20 n ALA 41 N -2.68 0.55 0.60 3.86 0.00 -0.76 0.17 120.51 122.25 3i20 n ALA 41 Ca -0.09 0.94 0.11 0.00 0.00 0.00 0.00 53.44 54.39 3i20 n ALA 41 Cb 0.36 -0.74 0.44 0.00 0.00 0.00 0.00 19.45 19.51 3i20 n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i20 n LYS 42 N -5.23 0.09 -0.09 0.00 5.02 -0.52 -2.54 118.16 114.90 3i20 n LYS 42 Ca 0.23 0.24 -0.15 0.00 -2.02 0.00 0.00 58.31 56.61 3i20 n LYS 42 Cb 0.78 -1.64 -0.14 0.00 -0.02 0.00 0.00 35.03 34.00 3i20 n LYS 42 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i20 n GLU 43 N -1.81 0.68 -0.29 1.97 -0.58 0.44 -4.28 120.64 116.78 3i20 n GLU 43 Ca 0.04 0.13 0.17 0.00 -0.42 0.00 0.00 57.16 57.09 3i20 n GLU 43 Cb 0.26 -1.58 0.45 0.00 -0.57 0.00 0.00 31.44 30.00 3i20 n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3i20 h LEU 44 N 0.01 0.54 -0.55 -4.62 5.85 -0.01 0.39 115.31 116.92 3i20 h LEU 44 Ca -0.51 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.38 3i20 h LEU 44 Cb 2.05 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.95 3i20 h LEU 44 CO -0.00 0.20 -0.07 0.03 -0.34 0.00 0.00 178.44 178.25 3i20 h ARG 45 N 0.53 0.05 0.00 1.25 3.08 -1.71 -0.94 114.38 116.64 3i20 h ARG 45 Ca 0.52 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.56 3i20 h ARG 45 Cb 1.11 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 3i20 h ARG 45 CO -0.25 0.03 -0.03 0.00 -1.07 0.00 0.00 179.97 178.65 3i20 h ARG 46 N 0.05 0.00 0.06 0.04 3.08 -0.45 -1.09 114.38 116.06 3i20 h ARG 46 Ca 0.27 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.95 3i20 h ARG 46 Cb 0.42 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 3i20 h ARG 46 CO -0.52 0.03 -2.21 0.28 -1.07 0.00 0.00 179.97 176.49 3i20 n VAL 47 N -3.45 1.63 -0.05 2.04 0.31 -0.63 -4.42 118.33 113.77 3i20 n VAL 47 Ca -0.02 -0.64 -0.06 0.00 -0.01 0.00 0.00 64.34 63.61 3i20 n VAL 47 Cb 0.14 -1.49 -0.05 0.00 -0.91 0.00 0.00 33.84 31.53 3i20 n VAL 47 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3i20 h VAL 48 N 0.03 0.70 -0.95 2.52 2.07 -1.01 -3.29 116.25 116.32 3i20 h VAL 48 Ca -0.49 -1.48 0.29 0.00 0.82 0.00 0.00 66.70 65.84 3i20 h VAL 48 Cb 1.99 1.31 -0.15 0.00 -1.52 0.00 0.00 31.29 32.92 3i20 h VAL 48 CO 0.01 0.23 0.35 -0.33 0.02 0.00 0.00 177.57 177.85 3i20 h GLU 49 N -0.99 0.19 -0.07 1.57 5.08 -1.42 0.32 114.58 119.25 3i20 h GLU 49 Ca -0.00 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 3i20 h GLU 49 Cb 0.40 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3i20 h GLU 49 CO 0.00 0.12 -0.47 -1.35 -1.00 0.00 0.00 179.01 176.32 3i20 h PRO 50 N 0.19 0.18 -0.26 2.33 0.11 -1.77 -1.23 132.00 131.55 3i20 h PRO 50 Ca 0.65 -0.10 0.04 0.00 0.11 0.00 0.00 66.00 66.71 3i20 h PRO 50 Cb 1.45 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.52 3i20 h PRO 50 CO -0.69 0.62 0.02 -0.07 -0.21 0.00 0.00 178.00 177.67 3i20 h LEU 51 N 0.15 -0.07 0.82 2.35 4.07 -0.44 -2.07 115.31 120.13 3i20 h LEU 51 Ca 0.01 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 3i20 h LEU 51 Cb 0.89 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.72 3i20 h LEU 51 CO 0.07 -0.00 -0.46 0.40 -1.08 0.00 0.00 178.44 177.37 3i20 h ILE 52 N 0.10 0.07 0.00 1.22 2.04 -1.21 -2.34 117.51 117.39 3i20 h ILE 52 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 3i20 h ILE 52 Cb 0.15 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 3i20 h ILE 52 CO -0.20 0.00 0.41 0.74 0.00 0.00 0.00 178.15 179.10 3i20 h THR 53 N -1.19 0.00 0.09 -0.27 2.02 -0.98 0.36 112.91 112.94 3i20 h THR 53 Ca -0.11 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.85 3i20 h THR 53 Cb 0.94 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3i20 h THR 53 CO 0.14 0.00 -1.12 0.25 0.37 0.00 0.00 175.52 175.16 3i20 h LEU 54 N 0.00 0.31 0.00 2.58 5.85 -0.85 -3.28 115.31 119.92 3i20 h LEU 54 Ca 0.00 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.87 3i20 h LEU 54 Cb 0.81 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3i20 h LEU 54 CO 0.00 1.49 0.00 0.00 -0.34 0.00 0.00 178.44 179.59 3i20 n ALA 55 N -2.92 1.86 0.22 1.25 0.00 0.12 -1.34 120.51 119.70 3i20 n ALA 55 Ca -0.22 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.24 3i20 n ALA 55 Cb 0.81 -1.20 0.48 0.00 0.00 0.00 0.00 19.45 19.55 3i20 n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i20 h LYS 56 N 0.00 0.00 -4.90 0.00 1.79 -1.55 -3.36 116.57 108.55 3i20 h LYS 56 Ca 0.00 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.80 3i20 h LYS 56 Cb 0.04 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 30.35 3i20 h LYS 56 CO 0.00 0.26 -0.78 0.99 -1.08 0.00 0.00 179.45 178.85 3i20 s THR 57 N -3.86 2.52 -0.04 -0.16 2.01 -0.45 -4.94 115.64 110.72 3i20 s THR 57 Ca -0.01 -1.29 -0.25 0.00 0.31 0.00 0.00 61.69 60.46 3i20 s THR 57 Cb 0.12 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 3i20 s THR 57 CO 0.65 0.12 0.76 -0.62 -0.69 0.00 0.00 174.62 174.84 3i20 s ASP 58 N 1.23 7.09 0.24 3.53 3.68 -1.26 -4.85 116.67 126.32 3i20 s ASP 58 Ca -0.03 1.31 -0.21 0.00 2.13 0.00 0.00 52.55 55.75 3i20 s ASP 58 Cb -0.18 -2.45 0.07 0.00 -1.45 0.00 0.00 42.92 38.91 3i20 s ASP 58 CO -0.05 -0.13 0.94 -0.94 0.13 0.00 0.00 175.17 175.12 3i20 s SER 59 N 0.73 -0.04 -0.08 -0.34 1.04 -1.26 -5.02 113.70 108.73 3i20 s SER 59 Ca 0.40 -0.76 -0.16 0.00 0.48 0.00 0.00 55.95 55.92 3i20 s SER 59 Cb -0.19 0.61 -0.13 0.00 0.10 0.00 0.00 66.02 66.42 3i20 s SER 59 CO 0.21 -1.19 0.58 0.58 0.98 0.00 0.00 173.24 174.39 3i20 h VAL 60 N 2.00 0.72 -0.41 5.02 2.07 -1.99 -2.71 116.25 120.96 3i20 h VAL 60 Ca -0.28 -1.30 0.04 0.00 0.82 0.00 0.00 66.70 65.98 3i20 h VAL 60 Cb 1.23 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 3i20 h VAL 60 CO 0.35 0.22 -0.24 0.00 0.02 0.00 0.00 177.57 177.91 3i20 n ALA 61 N -2.65 -0.26 -0.22 1.67 0.00 -1.26 0.11 120.51 117.90 3i20 n ALA 61 Ca -0.06 0.34 0.11 0.00 0.00 0.00 0.00 53.44 53.84 3i20 n ALA 61 Cb 0.23 0.17 0.41 0.00 0.00 0.00 0.00 19.45 20.26 3i20 n ALA 61 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3i20 h ASN 62 N 0.00 0.58 -0.24 0.00 -0.26 -1.89 0.71 115.58 114.48 3i20 h ASN 62 Ca 0.06 0.03 -0.12 0.00 -0.56 0.00 0.00 56.30 55.71 3i20 h ASN 62 Cb 0.17 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 3i20 h ASN 62 CO -0.38 0.32 -0.29 0.03 -1.06 0.00 0.00 177.43 176.05 3i20 h ARG 63 N 0.63 0.74 0.47 0.81 3.08 -0.35 -2.23 114.38 117.54 3i20 h ARG 63 Ca 0.39 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3i20 h ARG 63 Cb 0.64 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3i20 h ARG 63 CO -0.15 0.94 -0.23 0.00 -1.07 0.00 0.00 179.97 179.46 3i20 h ARG 64 N 0.64 -0.61 -0.15 0.04 2.47 0.44 -0.83 114.38 116.37 3i20 h ARG 64 Ca 0.08 0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.86 3i20 h ARG 64 Cb 0.81 0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 29.23 3i20 h ARG 64 CO 0.07 -0.40 -0.26 1.25 0.56 0.00 0.00 179.97 181.19 3i20 h LEU 65 N -0.66 -0.86 -1.00 3.04 5.85 -0.71 0.30 115.31 121.26 3i20 h LEU 65 Ca -0.07 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3i20 h LEU 65 Cb 0.50 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3i20 h LEU 65 CO 0.11 -0.21 0.15 0.00 -0.34 0.00 0.00 178.44 178.15 3i20 n ALA 66 N -2.85 0.82 0.05 1.25 0.00 -0.84 0.13 120.51 119.07 3i20 n ALA 66 Ca -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 3i20 n ALA 66 Cb 0.17 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 3i20 n ALA 66 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3i20 h PHE 67 N 0.00 0.00 -0.30 0.00 3.57 0.10 -3.34 116.94 116.97 3i20 h PHE 67 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 3i20 h PHE 67 Cb 0.30 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3i20 h PHE 67 CO 0.00 0.76 -0.26 0.00 -2.23 0.00 0.00 178.31 176.58 3i20 h ALA 68 N 1.24 0.44 -2.25 2.41 0.00 0.23 -0.56 119.26 120.78 3i20 h ALA 68 Ca -0.12 -0.39 -0.46 0.00 0.00 0.00 0.00 54.91 53.93 3i20 h ALA 68 Cb 1.69 -0.10 0.06 0.00 0.00 0.00 0.00 17.79 19.44 3i20 h ALA 68 CO 0.08 0.44 0.18 1.03 0.00 0.00 0.00 179.25 180.97 3i20 s ARG 69 N -4.42 2.56 0.00 0.00 1.81 -1.07 -4.26 118.95 113.57 3i20 s ARG 69 Ca -0.12 -0.19 0.00 0.00 -1.72 0.00 0.00 55.73 53.69 3i20 s ARG 69 Cb 0.09 -2.25 0.00 0.00 -0.45 0.00 0.00 34.95 32.34 3i20 s ARG 69 CO 0.83 -0.94 0.00 0.25 -0.68 0.00 0.00 175.30 174.76 3i20 n THR 70 N -2.71 0.00 -3.48 0.02 -2.24 -1.26 -4.59 114.28 100.01 3i20 n THR 70 Ca 0.06 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.62 3i20 n THR 70 Cb 0.59 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 3i20 n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i20 n ARG 71 N 0.00 -2.32 -3.65 -0.78 3.00 -0.22 -4.89 116.66 107.80 3i20 n ARG 71 Ca 0.00 0.21 -0.07 0.00 -0.00 0.00 0.00 57.85 57.99 3i20 n ARG 71 Cb 0.00 -4.81 -0.09 0.00 0.00 0.00 0.00 32.46 27.57 3i20 n ARG 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3i20 s ASP 72 N -2.66 -0.37 0.21 6.15 3.68 -1.26 -5.05 116.67 117.37 3i20 s ASP 72 Ca 0.42 1.05 0.06 0.00 2.13 0.00 0.00 52.55 56.21 3i20 s ASP 72 Cb -0.24 1.48 0.13 0.00 -1.45 0.00 0.00 42.92 42.84 3i20 s ASP 72 CO 0.51 -0.23 1.47 0.78 0.13 0.00 0.00 175.17 177.84 3i20 h ASN 73 N 8.15 0.14 -0.54 -0.34 4.21 -1.94 -2.77 115.58 122.49 3i20 h ASN 73 Ca -0.16 -0.10 0.10 0.00 1.21 0.00 0.00 56.30 57.35 3i20 h ASN 73 Cb 1.11 -0.04 -0.11 0.00 -1.12 0.00 0.00 38.32 38.16 3i20 h ASN 73 CO 0.12 0.84 -0.27 -0.08 -1.29 0.00 0.00 177.43 176.75 3i20 h GLU 74 N 0.07 -0.14 0.00 0.81 4.81 -1.99 0.66 114.58 118.80 3i20 h GLU 74 Ca -0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3i20 h GLU 74 Cb 1.34 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.75 3i20 h GLU 74 CO 0.11 -0.09 -0.45 -0.84 -0.73 0.00 0.00 179.01 177.01 3i20 h ILE 75 N -0.14 0.00 0.00 2.32 3.07 -1.97 -1.42 117.51 119.37 3i20 h ILE 75 Ca 0.23 -0.83 0.00 0.00 1.55 0.00 0.00 64.86 65.82 3i20 h ILE 75 Cb 0.52 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 3i20 h ILE 75 CO -0.62 0.00 0.00 0.55 -1.05 0.00 0.00 178.15 177.03 3i20 n VAL 76 N -2.65 0.74 0.08 0.16 3.14 -0.71 -2.23 118.33 116.87 3i20 n VAL 76 Ca 0.03 0.06 -0.22 0.00 -2.96 0.00 0.00 64.34 61.25 3i20 n VAL 76 Cb 0.50 -0.97 -0.15 0.00 -1.06 0.00 0.00 33.84 32.17 3i20 n VAL 76 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i20 h ALA 77 N 2.36 -0.09 -0.23 1.55 0.00 0.20 -3.37 119.26 119.69 3i20 h ALA 77 Ca 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 54.91 53.93 3i20 h ALA 77 Cb 0.48 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3i20 h ALA 77 CO 0.00 0.54 -0.59 -0.22 0.00 0.00 0.00 179.25 178.98 3i20 h LYS 78 N -0.18 0.75 -7.12 0.00 3.64 -1.27 -2.01 116.57 110.38 3i20 h LYS 78 Ca -0.20 -0.50 -0.51 0.00 -1.27 0.00 0.00 60.65 58.16 3i20 h LYS 78 Cb 1.85 0.07 0.10 0.00 -0.41 0.00 0.00 32.23 33.83 3i20 h LYS 78 CO 0.19 1.12 0.43 -0.51 -2.27 0.00 0.00 179.45 178.41 3i20 s LEU 79 N -8.52 3.61 0.00 5.20 1.43 -0.94 0.14 118.68 119.60 3i20 s LEU 79 Ca -0.09 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 3i20 s LEU 79 Cb 0.10 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.74 3i20 s LEU 79 CO 0.88 -1.52 0.00 0.49 0.23 0.00 0.00 176.35 176.43 3i20 n PHE 80 N -1.75 0.00 0.09 0.29 3.72 -1.26 -4.45 117.46 114.10 3i20 n PHE 80 Ca 0.12 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.46 3i20 n PHE 80 Cb 0.51 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 3i20 n PHE 80 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3i20 h ASN 81 N 0.00 -0.27 0.00 4.37 2.35 -1.44 -3.40 115.58 117.19 3i20 h ASN 81 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3i20 h ASN 81 Cb 0.00 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3i20 h ASN 81 CO 0.00 0.21 -0.63 1.21 -1.65 0.00 0.00 177.43 176.57 3i20 n GLU 82 N -4.99 0.35 -0.08 0.81 2.13 -0.20 -4.50 120.64 114.15 3i20 n GLU 82 Ca -0.05 0.18 -0.12 0.00 0.66 0.00 0.00 57.16 57.83 3i20 n GLU 82 Cb 0.16 -1.16 -0.05 0.00 0.27 0.00 0.00 31.44 30.66 3i20 n GLU 82 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3i20 h LEU 83 N -0.67 0.52 0.00 4.31 4.07 0.95 -2.04 115.31 122.45 3i20 h LEU 83 Ca 0.00 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.54 3i20 h LEU 83 Cb 0.63 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.22 3i20 h LEU 83 CO 0.00 0.83 0.00 0.61 -1.08 0.00 0.00 178.44 178.80 3i20 n GLY 84 N 0.01 -3.47 0.34 0.83 0.00 -1.26 -1.50 105.19 100.13 3i20 n GLY 84 Ca -0.04 0.69 0.14 0.00 0.00 0.00 0.00 46.02 46.80 3i20 n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i20 h PRO 85 N 0.00 0.64 -0.30 1.61 0.13 -1.76 0.69 132.00 133.01 3i20 h PRO 85 Ca 0.00 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.15 3i20 h PRO 85 Cb 0.00 -0.14 -0.06 0.00 0.13 0.00 0.00 31.00 30.92 3i20 h PRO 85 CO 0.00 0.42 -0.10 -0.09 -0.23 0.00 0.00 178.00 178.00 3i20 h ARG 86 N 0.66 -0.04 -0.72 0.86 2.43 -1.13 -1.34 114.38 115.10 3i20 h ARG 86 Ca 0.58 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.74 3i20 h ARG 86 Cb 0.98 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3i20 h ARG 86 CO -0.42 -0.03 0.03 1.19 -1.51 0.00 0.00 179.97 179.22 3i20 n PHE 87 N -5.28 1.51 0.17 2.20 3.72 0.08 -4.66 117.46 115.21 3i20 n PHE 87 Ca 0.00 -0.56 0.07 0.00 -0.05 0.00 0.00 57.45 56.91 3i20 n PHE 87 Cb 0.20 -0.41 0.34 0.00 -0.94 0.00 0.00 39.48 38.66 3i20 n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i20 n ALA 88 N 0.38 1.18 -2.58 4.37 0.00 -0.32 -2.93 120.51 120.60 3i20 n ALA 88 Ca 0.21 0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.57 3i20 n ALA 88 Cb 0.94 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 19.21 3i20 n ALA 88 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i20 n SER 89 N -1.90 2.83 -3.70 0.00 3.41 -1.26 -5.04 113.62 107.95 3i20 n SER 89 Ca 0.00 -3.13 -0.24 0.00 -0.26 0.00 0.00 58.87 55.24 3i20 n SER 89 Cb 0.06 -0.50 -0.17 0.00 -0.26 0.00 0.00 64.21 63.34 3i20 n SER 89 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3i20 s ARG 90 N -3.31 0.35 0.09 4.33 3.52 -1.15 -5.05 118.95 117.73 3i20 s ARG 90 Ca 0.36 -0.00 -0.18 0.00 -0.13 0.00 0.00 55.73 55.77 3i20 s ARG 90 Cb 0.43 -1.34 -0.04 0.00 -1.56 0.00 0.00 34.95 32.44 3i20 s ARG 90 CO -0.06 -0.47 1.10 0.00 -0.81 0.00 0.00 175.30 175.06 3i20 n ALA 91 N 5.19 -0.38 -3.00 6.12 0.00 -1.26 -4.88 120.51 122.30 3i20 n ALA 91 Ca -0.07 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3i20 n ALA 91 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3i20 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 92 N -1.15 1.87 3.39 0.00 0.00 -1.26 -5.04 105.19 103.01 3i20 n GLY 92 Ca 0.01 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 3i20 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i20 n GLY 93 N 0.00 -0.50 0.00 -0.02 0.00 -1.26 -4.78 105.19 98.63 3i20 n GLY 93 Ca 0.00 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3i20 n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i20 n TYR 94 N -3.96 0.00 -4.12 1.61 4.01 -1.26 -4.74 117.16 108.69 3i20 n TYR 94 Ca -0.25 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.34 3i20 n TYR 94 Cb 0.66 -0.13 -0.12 0.00 -0.31 0.00 0.00 39.34 39.44 3i20 n TYR 94 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3i20 s THR 95 N -2.26 0.66 0.26 -0.72 2.01 -1.26 -1.83 115.64 112.49 3i20 s THR 95 Ca 0.23 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.33 3i20 s THR 95 Cb 0.13 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 3i20 s THR 95 CO 0.24 -0.24 -0.06 0.00 -0.69 0.00 0.00 174.62 173.88 3i20 s ARG 96 N -1.32 1.47 -0.04 4.92 1.70 -0.97 -4.95 118.95 119.77 3i20 s ARG 96 Ca -0.06 -1.73 0.05 0.00 -0.47 0.00 0.00 55.73 53.52 3i20 s ARG 96 Cb -0.08 -1.02 -0.01 0.00 -0.57 0.00 0.00 34.95 33.26 3i20 s ARG 96 CO 0.01 0.03 -0.19 0.42 -1.08 0.00 0.00 175.30 174.49 3i20 s ILE 97 N -3.10 1.52 -0.26 4.99 1.01 -1.26 -2.48 121.20 121.62 3i20 s ILE 97 Ca 0.28 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3i20 s ILE 97 Cb 0.04 -1.29 0.08 0.00 0.01 0.00 0.00 42.46 41.29 3i20 s ILE 97 CO 0.10 0.43 0.01 -0.76 0.00 0.00 0.00 174.94 174.73 3i20 s LEU 98 N -0.14 2.59 0.13 2.97 1.43 0.32 -4.96 118.68 121.03 3i20 s LEU 98 Ca -0.00 -1.39 -0.31 0.00 -1.03 0.00 0.00 54.13 51.41 3i20 s LEU 98 Cb -0.10 -1.08 -0.08 0.00 0.03 0.00 0.00 46.19 44.96 3i20 s LEU 98 CO 0.01 -0.31 1.32 -0.54 0.23 0.00 0.00 176.35 177.06 3i20 s LYS 99 N 1.45 4.37 -0.05 1.70 1.02 -1.26 0.92 119.74 127.89 3i20 s LYS 99 Ca 0.01 2.00 0.07 0.00 0.02 0.00 0.00 55.97 58.07 3i20 s LYS 99 Cb -0.18 -3.25 0.11 0.00 -0.52 0.00 0.00 37.83 33.98 3i20 s LYS 99 CO -0.12 -0.33 0.98 0.00 -0.92 0.00 0.00 175.35 174.96 3i20 n GLY 101 N -0.65 -3.13 1.76 0.00 0.00 -1.17 -4.83 105.19 97.17 3i20 n GLY 101 Ca 0.06 0.54 -0.01 0.00 0.00 0.00 0.00 46.02 46.61 3i20 n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i20 n PHE 102 N 2.01 -1.97 -2.58 1.61 3.72 -1.25 -4.72 117.46 114.27 3i20 n PHE 102 Ca -0.12 1.16 -0.35 0.00 -0.05 0.00 0.00 57.45 58.08 3i20 n PHE 102 Cb 0.19 -2.65 -0.04 0.00 -0.94 0.00 0.00 39.48 36.03 3i20 n PHE 102 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3i20 s ARG 103 N -1.14 4.07 -0.10 -1.08 3.52 -0.78 -4.90 118.95 118.55 3i20 s ARG 103 Ca -0.06 1.41 -0.27 0.00 -0.13 0.00 0.00 55.73 56.69 3i20 s ARG 103 Cb 0.00 -2.37 -0.26 0.00 -1.56 0.00 0.00 34.95 30.76 3i20 s ARG 103 CO 0.17 -0.20 0.87 0.00 -0.81 0.00 0.00 175.30 175.32 3i20 h ALA 104 N 2.17 -0.01 -0.99 6.12 0.00 -1.95 -2.12 119.26 122.46 3i20 h ALA 104 Ca -0.49 -0.52 0.24 0.00 0.00 0.00 0.00 54.91 54.14 3i20 h ALA 104 Cb 1.21 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 3i20 h ALA 104 CO 0.61 0.08 0.64 0.78 0.00 0.00 0.00 179.25 181.37 3i20 h GLY 105 N -0.75 1.13 -1.51 0.00 0.00 -1.99 -3.22 103.07 96.72 3i20 h GLY 105 Ca -0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 3i20 h GLY 105 CO 0.04 -0.08 -0.47 2.09 0.00 0.00 0.00 176.54 178.12 3i20 n ASP 106 N -4.59 0.10 -2.02 0.19 5.68 -1.26 -5.04 116.55 109.61 3i20 n ASP 106 Ca 0.23 -1.76 -0.12 0.00 -0.50 0.00 0.00 54.79 52.64 3i20 n ASP 106 Cb 0.79 -0.12 -0.02 0.00 -1.14 0.00 0.00 41.12 40.63 3i20 n ASP 106 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3i20 n ASN 107 N 0.10 -3.47 -4.66 -1.12 4.05 -0.80 -4.91 115.26 104.45 3i20 n ASN 107 Ca -0.02 0.24 -0.42 0.00 0.45 0.00 0.00 54.58 54.83 3i20 n ASN 107 Cb 0.74 -3.08 -0.03 0.00 1.23 0.00 0.00 39.78 38.64 3i20 n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i20 s ALA 108 N -2.35 3.59 0.19 5.20 0.00 -1.24 -4.66 121.76 122.49 3i20 s ALA 108 Ca 0.00 0.09 -0.33 0.00 0.00 0.00 0.00 51.96 51.73 3i20 s ALA 108 Cb 0.00 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 3i20 s ALA 108 CO 0.00 -0.84 1.38 -0.35 0.00 0.00 0.00 175.76 175.95 3i20 n PRO 109 N 5.73 1.76 -4.64 0.00 -0.04 -1.26 -1.86 135.00 134.69 3i20 n PRO 109 Ca 0.08 0.63 -0.29 0.00 -0.04 0.00 0.00 63.50 63.87 3i20 n PRO 109 Cb 0.48 -2.27 -0.08 0.00 -0.04 0.00 0.00 33.50 31.59 3i20 n PRO 109 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3i20 s MET 110 N -0.04 2.08 -0.17 0.54 -1.94 -1.26 -1.85 119.30 116.66 3i20 s MET 110 Ca 0.73 -2.31 -0.35 0.00 -1.71 0.00 0.00 55.69 52.06 3i20 s MET 110 Cb -0.73 -1.03 0.15 0.00 2.01 0.00 0.00 34.83 35.23 3i20 s MET 110 CO 0.47 -0.45 1.40 0.00 -0.01 0.00 0.00 175.02 176.44 3i20 s ALA 111 N -3.05 -2.36 -0.12 3.03 0.00 0.25 -1.96 121.76 117.56 3i20 s ALA 111 Ca 0.14 1.33 -0.02 0.00 0.00 0.00 0.00 51.96 53.41 3i20 s ALA 111 Cb 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3i20 s ALA 111 CO 0.09 -0.85 -0.05 0.71 0.00 0.00 0.00 175.76 175.66 3i20 s TYR 112 N -2.08 2.99 -0.08 0.00 2.02 0.26 -0.80 117.35 119.67 3i20 s TYR 112 Ca 0.13 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 3i20 s TYR 112 Cb 0.04 -1.86 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 3i20 s TYR 112 CO -0.05 0.10 -0.15 -1.50 -1.57 0.00 0.00 175.55 172.38 3i20 s ILE 113 N -0.08 1.41 0.09 2.71 2.07 -0.40 0.12 121.20 127.12 3i20 s ILE 113 Ca 0.01 -0.63 0.01 0.00 -1.41 0.00 0.00 60.65 58.64 3i20 s ILE 113 Cb -0.13 -1.27 -0.04 0.00 0.13 0.00 0.00 42.46 41.15 3i20 s ILE 113 CO 0.03 0.42 -0.06 -1.83 -1.91 0.00 0.00 174.94 171.58 3i20 s GLU 114 N 0.68 0.78 0.51 3.50 -1.05 -1.03 -1.29 118.70 120.80 3i20 s GLU 114 Ca -0.14 -1.28 -0.19 0.00 -0.15 0.00 0.00 54.97 53.22 3i20 s GLU 114 Cb -0.16 -0.15 -0.07 0.00 -0.44 0.00 0.00 34.13 33.31 3i20 s GLU 114 CO 0.04 -0.03 1.03 -0.51 0.95 0.00 0.00 175.26 176.74 3i20 s LEU 115 N -2.92 3.73 -0.89 1.83 1.43 0.46 -2.28 118.68 120.04 3i20 s LEU 115 Ca 0.10 1.82 -0.17 0.00 -1.03 0.00 0.00 54.13 54.85 3i20 s LEU 115 Cb 0.05 -4.54 0.17 0.00 0.03 0.00 0.00 46.19 41.89 3i20 s LEU 115 CO -0.05 -0.81 0.99 0.54 0.23 0.00 0.00 176.35 177.24 3i20 s VAL 116 N -2.22 5.09 0.00 -1.59 0.11 -0.76 -4.09 120.40 116.94 3i20 s VAL 116 Ca 0.65 -1.94 0.00 0.00 -2.93 0.00 0.00 61.98 57.75 3i20 s VAL 116 Cb -0.15 -4.66 0.00 0.00 -1.53 0.00 0.00 36.38 30.05 3i20 s VAL 116 CO 0.25 -1.32 0.00 -0.90 -3.33 0.00 0.00 175.10 169.81 3i20 n ASP 117 N 5.50 0.00 0.00 3.54 3.85 -1.26 -5.04 116.55 123.15 3i20 n ASP 117 Ca 0.20 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.28 3i20 n ASP 117 Cb 0.48 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.25 3i20 n ASP 117 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3i20 n ARG 118 N 0.00 0.00 0.00 0.11 1.74 -1.26 -4.86 116.66 112.39 3i20 n ARG 118 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i20 n ARG 118 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i20 n ARG 118 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i20 n SER 119 N 0.00 0.00 0.00 0.55 2.88 -1.26 -5.12 113.62 110.67 3i20 n SER 119 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i20 n SER 119 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i20 n SER 119 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19