#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n ARG 2 N 0.00 0.00 -1.51 0.03 0.00 -1.26 -5.00 116.66 108.92 3i22 n ARG 2 Ca 0.00 0.08 -0.42 0.00 -0.00 0.00 0.00 57.85 57.51 3i22 n ARG 2 Cb 0.00 -1.15 -0.07 0.00 0.00 0.00 0.00 32.46 31.24 3i22 n ARG 2 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i22 n HIS 3 N -2.33 1.30 -2.45 -0.14 8.25 -1.26 -0.90 115.22 117.69 3i22 n HIS 3 Ca 0.00 0.21 -0.19 0.00 -0.26 0.00 0.00 57.72 57.48 3i22 n HIS 3 Cb 0.00 -2.55 -0.01 0.00 1.12 0.00 0.00 29.99 28.55 3i22 n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i22 n ARG 4 N 8.65 -1.99 0.00 -0.41 5.12 -1.26 -4.98 116.66 121.78 3i22 n ARG 4 Ca 0.45 0.90 0.00 0.00 -1.93 0.00 0.00 57.85 57.27 3i22 n ARG 4 Cb 0.33 -5.56 0.00 0.00 -1.16 0.00 0.00 32.46 26.07 3i22 n ARG 4 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3i22 n LYS 5 N -3.02 1.72 -3.03 5.56 4.81 -0.07 -5.10 118.16 119.02 3i22 n LYS 5 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 3i22 n LYS 5 Cb 0.66 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.71 3i22 n LYS 5 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3i22 n SER 6 N 0.00 0.00 0.00 3.14 2.88 -1.26 -5.12 113.62 113.26 3i22 n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i22 n SER 6 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i22 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i22 n GLY 7 N 0.00 3.55 0.00 0.46 0.00 -1.26 -4.72 105.19 103.22 3i22 n GLY 7 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3i22 n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i22 n ARG 8 N 13.83 0.00 -0.46 1.61 0.63 -1.26 -5.02 116.66 125.99 3i22 n ARG 8 Ca 0.00 0.00 0.41 0.00 -0.92 0.00 0.00 57.85 57.34 3i22 n ARG 8 Cb 0.00 0.00 0.76 0.00 0.45 0.00 0.00 32.46 33.67 3i22 n ARG 8 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 3i22 h GLN 9 N 0.00 0.02 0.00 -0.14 4.15 -1.96 -3.47 115.11 113.72 3i22 h GLN 9 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3i22 h GLN 9 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3i22 h GLN 9 CO 0.00 0.02 0.00 1.28 -1.93 0.00 0.00 178.83 178.20 3i22 n LEU 10 N -4.15 0.00 -3.29 -2.39 7.99 -1.26 -3.97 117.00 109.93 3i22 n LEU 10 Ca 0.33 0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 55.98 3i22 n LEU 10 Cb 1.50 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 44.80 3i22 n LEU 10 CO 0.40 -0.31 0.86 0.59 -1.51 0.00 0.00 177.39 177.42 3i22 n ASN 11 N -3.66 6.08 -0.93 -1.43 4.13 -1.26 -4.97 115.26 113.22 3i22 n ASN 11 Ca 0.00 -3.70 0.00 0.00 1.68 0.00 0.00 54.58 52.56 3i22 n ASN 11 Cb 0.00 -0.89 0.00 0.00 -1.54 0.00 0.00 39.78 37.35 3i22 n ASN 11 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3i22 n ARG 12 N -0.17 0.00 0.00 3.52 3.00 -1.25 -5.15 116.66 116.61 3i22 n ARG 12 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.25 3i22 n ARG 12 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.79 3i22 n ARG 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3i22 n ASN 13 N -0.81 0.00 0.05 6.15 0.23 -1.26 -4.95 115.26 114.67 3i22 n ASN 13 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3i22 n ASN 13 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3i22 n ASN 13 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3i22 n SER 14 N 0.00 0.31 0.00 0.53 7.64 -1.26 -4.56 113.62 116.28 3i22 n SER 14 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3i22 n SER 14 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 3i22 n SER 14 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i22 n SER 15 N -3.02 0.00 -0.05 6.43 3.41 -1.26 -0.14 113.62 118.99 3i22 n SER 15 Ca 0.00 0.11 -0.02 0.00 -0.26 0.00 0.00 58.87 58.70 3i22 n SER 15 Cb 0.00 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 3i22 n SER 15 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3i22 h HIS 16 N 0.00 0.00 0.00 7.33 6.17 -1.95 -3.08 115.15 123.62 3i22 h HIS 16 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3i22 h HIS 16 Cb 0.00 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.93 3i22 h HIS 16 CO 0.00 0.00 0.00 0.54 0.71 0.00 0.00 177.93 179.18 3i22 n ARG 17 N -4.06 0.77 0.00 5.26 1.74 0.80 0.18 116.66 121.35 3i22 n ARG 17 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3i22 n ARG 17 Cb 0.13 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3i22 n ARG 17 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i22 n GLN 18 N 0.59 1.37 -0.01 5.56 0.00 0.02 -4.71 117.38 120.20 3i22 n GLN 18 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.00 57.06 3i22 n GLN 18 Cb 0.38 -0.67 0.06 0.00 0.00 0.00 0.00 30.24 30.00 3i22 n GLN 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3i22 n ALA 19 N -1.03 2.46 -0.05 1.69 0.00 -0.55 -4.13 120.51 118.90 3i22 n ALA 19 Ca 0.00 -0.63 -0.20 0.00 0.00 0.00 0.00 53.44 52.61 3i22 n ALA 19 Cb 0.17 -0.40 -0.13 0.00 0.00 0.00 0.00 19.45 19.10 3i22 n ALA 19 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3i22 h MET 20 N 2.28 0.09 -0.96 0.00 1.85 0.16 -3.17 114.93 115.18 3i22 h MET 20 Ca 0.00 -0.16 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 3i22 h MET 20 Cb 0.50 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.59 3i22 h MET 20 CO 0.00 1.07 0.00 1.19 -0.40 0.00 0.00 176.91 178.77 3i22 n PHE 21 N -4.29 0.00 -0.24 1.39 3.01 -1.26 -0.74 117.46 115.33 3i22 n PHE 21 Ca -0.24 -0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.10 3i22 n PHE 21 Cb 0.71 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 3i22 n PHE 21 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3i22 n ARG 22 N 0.18 1.28 0.00 -1.08 0.63 -1.21 -3.78 116.66 112.68 3i22 n ARG 22 Ca 0.00 -0.97 0.00 0.00 -0.92 0.00 0.00 57.85 55.96 3i22 n ARG 22 Cb 0.29 -0.88 0.00 0.00 0.45 0.00 0.00 32.46 32.32 3i22 n ARG 22 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3i22 n ASN 23 N -0.25 4.05 -0.18 6.15 3.02 -0.20 -4.51 115.26 123.33 3i22 n ASN 23 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 3i22 n ASN 23 Cb 0.23 0.57 0.09 0.00 -0.61 0.00 0.00 39.78 40.05 3i22 n ASN 23 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3i22 n MET 24 N -1.51 0.48 0.01 3.52 1.56 0.08 -3.48 117.12 117.79 3i22 n MET 24 Ca 0.00 -0.36 0.11 0.00 -0.27 0.00 0.00 57.70 57.18 3i22 n MET 24 Cb 0.24 -1.49 0.03 0.00 2.15 0.00 0.00 33.22 34.16 3i22 n MET 24 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3i22 n ALA 25 N -0.94 3.72 -0.49 -5.12 0.00 -1.25 -3.88 120.51 112.55 3i22 n ALA 25 Ca 0.07 -0.44 0.08 0.00 0.00 0.00 0.00 53.44 53.16 3i22 n ALA 25 Cb 0.37 -0.95 0.27 0.00 0.00 0.00 0.00 19.45 19.14 3i22 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 26 N 1.42 2.91 0.28 0.00 0.00 -1.24 -4.07 105.19 104.50 3i22 n GLY 26 Ca 0.03 -0.72 0.03 0.00 0.00 0.00 0.00 46.02 45.36 3i22 n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i22 n SER 27 N 0.77 1.96 -0.06 1.61 7.64 -1.23 -4.62 113.62 119.69 3i22 n SER 27 Ca 0.20 -1.60 -0.13 0.00 1.01 0.00 0.00 58.87 58.35 3i22 n SER 27 Cb 0.70 -0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.80 3i22 n SER 27 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3i22 n LEU 28 N 0.18 0.96 -3.35 -3.43 0.00 -1.26 -3.98 117.00 106.12 3i22 n LEU 28 Ca 0.05 0.16 -0.32 0.00 0.00 0.00 0.00 56.01 55.90 3i22 n LEU 28 Cb 0.24 -0.39 -0.03 0.00 0.00 0.00 0.00 43.42 43.24 3i22 n LEU 28 CO 0.04 0.20 2.61 1.33 0.00 0.00 0.00 177.39 181.57 3i22 n VAL 29 N -3.61 2.89 0.00 1.96 0.24 -1.26 0.26 118.33 118.81 3i22 n VAL 29 Ca -0.24 -1.93 0.00 0.00 -2.04 0.00 0.00 64.34 60.13 3i22 n VAL 29 Cb 0.64 -2.34 0.00 0.00 -1.47 0.00 0.00 33.84 30.68 3i22 n VAL 29 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3i22 n ARG 30 N 4.79 0.00 0.00 7.34 3.00 -1.26 -4.61 116.66 125.92 3i22 n ARG 30 Ca 0.55 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 58.41 3i22 n ARG 30 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.69 3i22 n ARG 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i22 n HIS 31 N 0.00 0.00 0.00 -0.14 8.25 -0.44 -5.00 115.22 117.89 3i22 n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i22 n HIS 31 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i22 n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3i22 n GLU 32 N -0.78 0.00 -4.47 -0.41 -0.58 0.73 -4.79 120.64 110.33 3i22 n GLU 32 Ca 0.01 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.52 3i22 n GLU 32 Cb 0.04 -2.49 -0.11 0.00 -0.57 0.00 0.00 31.44 28.31 3i22 n GLU 32 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i22 s ILE 33 N -0.12 1.64 -0.12 -3.67 1.01 -1.26 -1.57 121.20 117.11 3i22 s ILE 33 Ca 0.00 -2.08 -0.19 0.00 0.00 0.00 0.00 60.65 58.38 3i22 s ILE 33 Cb 0.00 -2.64 0.05 0.00 0.01 0.00 0.00 42.46 39.87 3i22 s ILE 33 CO 0.00 -0.17 0.48 -0.63 0.00 0.00 0.00 174.94 174.62 3i22 s ILE 34 N -3.00 0.01 -0.14 2.92 1.01 0.96 -4.51 121.20 118.46 3i22 s ILE 34 Ca 0.32 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.86 3i22 s ILE 34 Cb 0.06 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.82 3i22 s ILE 34 CO 0.14 -0.07 -0.15 -0.54 0.00 0.00 0.00 174.94 174.32 3i22 s LYS 35 N -0.40 2.35 0.00 2.79 1.02 -1.26 -1.90 119.74 122.34 3i22 s LYS 35 Ca -0.05 -0.59 -0.00 0.00 0.02 0.00 0.00 55.97 55.34 3i22 s LYS 35 Cb -0.03 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 3i22 s LYS 35 CO 0.03 -0.18 0.02 -2.37 -0.92 0.00 0.00 175.35 171.93 3i22 n THR 36 N 4.58 0.00 -1.91 2.17 5.66 -1.14 -4.95 114.28 118.69 3i22 n THR 36 Ca -0.18 -0.01 -0.41 0.00 -3.05 0.00 0.00 64.05 60.40 3i22 n THR 36 Cb 0.50 0.01 -0.01 0.00 -1.55 0.00 0.00 70.33 69.28 3i22 n THR 36 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3i22 s THR 37 N -2.53 2.32 0.11 1.09 2.01 -1.26 0.10 115.64 117.48 3i22 s THR 37 Ca 0.00 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 3i22 s THR 37 Cb -0.00 -3.19 -0.10 0.00 0.01 0.00 0.00 72.50 69.22 3i22 s THR 37 CO 0.00 0.06 1.61 0.25 -0.69 0.00 0.00 174.62 175.85 3i22 h LEU 38 N 3.92 -1.02 -0.80 4.42 5.85 -1.66 0.99 115.31 127.00 3i22 h LEU 38 Ca -0.49 0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.47 3i22 h LEU 38 Cb 1.23 0.38 -0.08 0.00 0.37 0.00 0.00 40.66 42.55 3i22 h LEU 38 CO 0.71 -0.45 0.41 -0.65 -0.34 0.00 0.00 178.44 178.12 3i22 h PRO 39 N -0.61 0.63 -0.02 5.25 0.11 -1.92 0.17 132.00 135.60 3i22 h PRO 39 Ca 0.02 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.96 3i22 h PRO 39 Cb 0.62 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 3i22 h PRO 39 CO -0.18 0.41 -0.59 -0.22 -0.21 0.00 0.00 178.00 177.22 3i22 h LYS 40 N 0.64 0.07 -0.03 1.05 3.64 -1.73 -2.87 116.57 117.34 3i22 h LYS 40 Ca 0.42 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.58 3i22 h LYS 40 Cb 0.51 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3i22 h LYS 40 CO -0.32 0.64 -0.64 0.00 -2.27 0.00 0.00 179.45 176.86 3i22 h ALA 41 N 1.35 0.12 -0.75 5.00 0.00 0.17 -2.78 119.26 122.36 3i22 h ALA 41 Ca -0.01 -0.57 0.10 0.00 0.00 0.00 0.00 54.91 54.43 3i22 h ALA 41 Cb 1.05 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3i22 h ALA 41 CO 0.08 0.41 0.49 0.87 0.00 0.00 0.00 179.25 181.10 3i22 h LYS 42 N 0.03 0.62 -0.39 0.00 1.57 -0.67 0.31 116.57 118.05 3i22 h LYS 42 Ca -0.07 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.53 3i22 h LYS 42 Cb 1.33 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3i22 h LYS 42 CO 0.13 0.41 -0.30 0.93 -0.57 0.00 0.00 179.45 180.04 3i22 h GLU 43 N 0.64 0.89 0.00 3.15 4.39 -1.54 -3.25 114.58 118.86 3i22 h GLU 43 Ca 0.35 -0.44 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 3i22 h GLU 43 Cb 0.50 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3i22 h GLU 43 CO -0.13 1.09 -0.02 1.25 -1.16 0.00 0.00 179.01 180.05 3i22 h LEU 44 N 0.70 0.00 0.04 1.33 5.85 -0.64 -0.51 115.31 122.08 3i22 h LEU 44 Ca 0.07 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3i22 h LEU 44 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3i22 h LEU 44 CO 0.08 0.02 -0.02 0.03 -0.34 0.00 0.00 178.44 178.20 3i22 h ARG 45 N 0.00 -0.06 0.00 1.25 3.08 -1.52 0.14 114.38 117.27 3i22 h ARG 45 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i22 h ARG 45 Cb 0.08 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3i22 h ARG 45 CO 0.00 0.15 0.00 0.54 -1.07 0.00 0.00 179.97 179.59 3i22 n ARG 46 N -5.02 0.19 0.00 0.04 1.74 -0.20 -1.05 116.66 112.36 3i22 n ARG 46 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3i22 n ARG 46 Cb 0.14 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 3i22 n ARG 46 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i22 n VAL 47 N -0.88 0.00 -0.00 1.55 0.31 -1.07 -4.61 118.33 113.62 3i22 n VAL 47 Ca 0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.33 3i22 n VAL 47 Cb 0.02 -0.81 0.19 0.00 -0.91 0.00 0.00 33.84 32.33 3i22 n VAL 47 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3i22 h VAL 48 N 0.00 1.26 0.04 2.52 2.07 -0.05 -3.20 116.25 118.89 3i22 h VAL 48 Ca 0.00 -1.23 -0.18 0.00 0.82 0.00 0.00 66.70 66.11 3i22 h VAL 48 Cb 0.97 1.28 0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3i22 h VAL 48 CO 0.00 0.40 -0.73 -0.33 0.02 0.00 0.00 177.57 176.93 3i22 h GLU 49 N 0.48 0.43 0.00 1.57 5.08 -1.32 -3.22 114.58 117.59 3i22 h GLU 49 Ca 0.07 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 3i22 h GLU 49 Cb 0.64 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 3i22 h GLU 49 CO 0.05 1.17 -0.06 -1.35 -1.00 0.00 0.00 179.01 177.81 3i22 h PRO 50 N -0.09 0.00 0.00 2.33 0.11 -1.77 0.70 132.00 133.28 3i22 h PRO 50 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3i22 h PRO 50 Cb 1.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.56 3i22 h PRO 50 CO 0.14 0.06 0.00 1.28 -0.21 0.00 0.00 178.00 179.27 3i22 n LEU 51 N -3.42 0.00 -0.06 2.35 4.77 -1.21 -3.22 117.00 116.21 3i22 n LEU 51 Ca -0.02 0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 3i22 n LEU 51 Cb 0.20 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 3i22 n LEU 51 CO 0.27 -0.01 -0.95 -0.38 -1.33 0.00 0.00 177.39 174.99 3i22 n ILE 52 N -1.07 0.88 0.26 -0.08 5.41 0.23 -3.20 119.36 121.79 3i22 n ILE 52 Ca 0.17 -0.60 0.13 0.00 1.00 0.00 0.00 62.75 63.46 3i22 n ILE 52 Cb 0.11 -0.50 0.28 0.00 -0.71 0.00 0.00 39.64 38.83 3i22 n ILE 52 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3i22 h THR 53 N 0.00 0.00 0.00 1.39 2.02 -1.49 0.15 112.91 114.98 3i22 h THR 53 Ca -0.35 -0.86 -0.11 0.00 0.77 0.00 0.00 66.41 65.86 3i22 h THR 53 Cb 1.76 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 70.00 3i22 h THR 53 CO 0.02 0.00 -2.05 0.00 0.37 0.00 0.00 175.52 173.86 3i22 n LEU 54 N -3.02 0.07 -0.00 2.58 -0.00 -1.23 -3.84 117.00 111.55 3i22 n LEU 54 Ca 0.03 0.03 0.15 0.00 -0.00 0.00 0.00 56.01 56.22 3i22 n LEU 54 Cb 0.48 0.14 0.75 0.00 -0.00 0.00 0.00 43.42 44.79 3i22 n LEU 54 CO 0.32 0.14 1.02 0.00 -0.00 0.00 0.00 177.39 178.87 3i22 n ALA 55 N -2.40 2.48 0.34 1.47 0.00 -1.09 -2.96 120.51 118.36 3i22 n ALA 55 Ca -0.12 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.30 3i22 n ALA 55 Cb 0.74 -1.49 0.23 0.00 0.00 0.00 0.00 19.45 18.93 3i22 n ALA 55 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i22 h LYS 56 N 0.01 0.00 0.00 0.00 3.64 -0.80 -2.95 116.57 116.47 3i22 h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i22 h LYS 56 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3i22 h LYS 56 CO 0.00 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.43 3i22 n THR 57 N -2.81 0.00 0.00 1.00 -2.24 -1.16 -4.74 114.28 104.33 3i22 n THR 57 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3i22 n THR 57 Cb 0.50 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3i22 n THR 57 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i22 n ASP 58 N 0.00 0.00 -1.30 3.42 4.64 -1.26 -4.77 116.55 117.28 3i22 n ASP 58 Ca 0.00 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.46 3i22 n ASP 58 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.05 3i22 n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3i22 n SER 59 N 0.00 -7.03 0.30 1.67 2.88 -1.26 -3.25 113.62 106.93 3i22 n SER 59 Ca 0.00 1.49 0.19 0.00 -1.33 0.00 0.00 58.87 59.22 3i22 n SER 59 Cb 0.00 -4.19 1.04 0.00 -0.75 0.00 0.00 64.21 60.30 3i22 n SER 59 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3i22 h VAL 60 N -0.30 0.00 0.00 2.46 -1.51 -2.02 -3.12 116.25 111.76 3i22 h VAL 60 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 3i22 h VAL 60 Cb 0.94 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 3i22 h VAL 60 CO 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.36 3i22 n ALA 61 N -1.99 -0.21 -2.40 5.19 0.00 -1.26 -4.29 120.51 115.55 3i22 n ALA 61 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 3i22 n ALA 61 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 3i22 n ALA 61 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3i22 s ASN 62 N -2.00 7.00 0.00 0.00 0.01 -1.18 -2.03 114.94 116.74 3i22 s ASN 62 Ca 0.00 1.87 0.00 0.00 -0.71 0.00 0.00 52.86 54.02 3i22 s ASN 62 Cb 0.00 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.10 3i22 s ASN 62 CO 0.00 -0.63 0.00 -1.14 -1.51 0.00 0.00 177.10 173.82 3i22 n ARG 63 N 5.38 0.00 0.02 -0.60 3.00 -1.26 -4.47 116.66 118.72 3i22 n ARG 63 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.95 3i22 n ARG 63 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.91 3i22 n ARG 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i22 n ARG 64 N 0.00 0.06 -0.11 -0.14 1.74 -0.86 -3.81 116.66 113.54 3i22 n ARG 64 Ca 0.00 0.03 -0.02 0.00 -0.77 0.00 0.00 57.85 57.09 3i22 n ARG 64 Cb 0.00 -0.61 0.23 0.00 -1.02 0.00 0.00 32.46 31.06 3i22 n ARG 64 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i22 h LEU 65 N -0.11 0.72 -0.15 0.55 4.07 -1.86 1.19 115.31 119.72 3i22 h LEU 65 Ca -0.03 -0.11 -0.08 0.00 0.08 0.00 0.00 57.88 57.75 3i22 h LEU 65 Cb 0.42 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 3i22 h LEU 65 CO -0.02 0.68 -0.38 0.00 -1.08 0.00 0.00 178.44 177.65 3i22 h ALA 66 N 1.42 0.77 -0.04 1.53 0.00 -1.84 -3.20 119.26 117.90 3i22 h ALA 66 Ca 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3i22 h ALA 66 Cb 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i22 h ALA 66 CO -0.01 0.48 -0.06 0.35 0.00 0.00 0.00 179.25 180.01 3i22 h PHE 67 N 0.00 0.13 -0.69 0.00 3.04 -1.28 -3.31 116.94 114.82 3i22 h PHE 67 Ca -0.00 -0.04 0.07 0.00 3.98 0.00 0.00 57.97 61.97 3i22 h PHE 67 Cb 1.24 -0.03 -0.09 0.00 2.56 0.00 0.00 35.95 39.63 3i22 h PHE 67 CO 0.00 0.62 -0.51 0.00 -2.02 0.00 0.00 178.31 176.40 3i22 h ALA 68 N 0.49 -0.57 -2.40 2.41 0.00 0.14 -3.01 119.26 116.32 3i22 h ALA 68 Ca 0.00 0.07 -0.54 0.00 0.00 0.00 0.00 54.91 54.44 3i22 h ALA 68 Cb 0.61 1.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 3i22 h ALA 68 CO 0.01 -0.89 0.76 -0.98 0.00 0.00 0.00 179.25 178.15 3i22 s ARG 69 N -5.24 4.32 -0.81 0.00 3.03 -1.21 -3.68 118.95 115.36 3i22 s ARG 69 Ca -0.11 1.90 -0.01 0.00 2.03 0.00 0.00 55.73 59.53 3i22 s ARG 69 Cb 0.09 -3.50 -0.02 0.00 -1.03 0.00 0.00 34.95 30.49 3i22 s ARG 69 CO 0.54 -0.49 0.75 2.41 -1.13 0.00 0.00 175.30 177.38 3i22 n THR 70 N 4.47 -9.90 -1.51 4.99 -1.04 -1.26 -4.79 114.28 105.24 3i22 n THR 70 Ca 0.12 -0.49 -0.41 0.00 -2.04 0.00 0.00 64.05 61.23 3i22 n THR 70 Cb 0.44 -6.82 -0.08 0.00 -1.82 0.00 0.00 70.33 62.05 3i22 n THR 70 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3i22 n ARG 71 N -2.10 0.72 -3.15 -2.82 0.63 -1.14 -4.75 116.66 104.05 3i22 n ARG 71 Ca -0.02 0.07 0.06 0.00 -0.92 0.00 0.00 57.85 57.04 3i22 n ARG 71 Cb 0.53 -2.60 -0.01 0.00 0.45 0.00 0.00 32.46 30.83 3i22 n ARG 71 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3i22 s ASP 72 N 10.09 -0.11 0.46 6.15 3.68 -1.26 -5.02 116.67 130.65 3i22 s ASP 72 Ca 1.13 0.03 0.26 0.00 2.13 0.00 0.00 52.55 56.10 3i22 s ASP 72 Cb -0.68 1.08 1.00 0.00 -1.45 0.00 0.00 42.92 42.87 3i22 s ASP 72 CO 0.39 -0.02 1.86 0.78 0.13 0.00 0.00 175.17 178.30 3i22 h ASN 73 N 7.42 0.00 -0.40 -0.34 4.21 -1.96 -1.91 115.58 122.60 3i22 h ASN 73 Ca -0.11 0.00 0.12 0.00 1.21 0.00 0.00 56.30 57.52 3i22 h ASN 73 Cb 1.17 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.36 3i22 h ASN 73 CO -0.18 0.18 0.29 -0.08 -1.29 0.00 0.00 177.43 176.35 3i22 h GLU 74 N 0.00 0.00 0.00 0.81 4.81 -1.96 0.15 114.58 118.39 3i22 h GLU 74 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i22 h GLU 74 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3i22 h GLU 74 CO 0.02 0.00 -1.47 0.44 -0.73 0.00 0.00 179.01 177.27 3i22 n ILE 75 N -4.38 0.00 0.61 2.32 -6.64 -0.78 -2.80 119.36 107.68 3i22 n ILE 75 Ca 0.07 -0.29 0.13 0.00 -1.77 0.00 0.00 62.75 60.89 3i22 n ILE 75 Cb 0.48 0.44 0.42 0.00 -1.44 0.00 0.00 39.64 39.54 3i22 n ILE 75 CO 0.00 0.00 0.00 1.33 -1.77 0.00 0.00 176.55 176.11 3i22 n VAL 76 N -1.87 0.61 -0.04 7.28 0.24 -0.84 -1.52 118.33 122.20 3i22 n VAL 76 Ca -0.01 -0.23 -0.00 0.00 -2.04 0.00 0.00 64.34 62.06 3i22 n VAL 76 Cb 0.41 -0.65 -0.00 0.00 -1.47 0.00 0.00 33.84 32.14 3i22 n VAL 76 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i22 h ALA 77 N 2.50 -0.03 -0.06 2.33 0.00 -0.80 -3.32 119.26 119.88 3i22 h ALA 77 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i22 h ALA 77 Cb 0.70 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3i22 h ALA 77 CO 0.00 -0.03 0.15 -0.22 0.00 0.00 0.00 179.25 179.16 3i22 h LYS 78 N -1.00 0.00 -6.50 0.00 1.63 -1.56 -3.32 116.57 105.81 3i22 h LYS 78 Ca -0.00 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 59.33 3i22 h LYS 78 Cb 0.02 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.66 3i22 h LYS 78 CO 0.00 0.00 -0.20 -0.51 -3.45 0.00 0.00 179.45 175.29 3i22 s LEU 79 N -6.63 4.00 0.00 5.20 1.43 -0.58 -3.15 118.68 118.95 3i22 s LEU 79 Ca -0.04 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3i22 s LEU 79 Cb 0.13 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 43.10 3i22 s LEU 79 CO 0.43 -0.32 0.00 0.49 0.23 0.00 0.00 176.35 177.18 3i22 n PHE 80 N -1.78 0.00 -0.09 0.29 3.72 -1.11 -4.33 117.46 114.15 3i22 n PHE 80 Ca -0.04 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.32 3i22 n PHE 80 Cb 0.56 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.27 3i22 n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3i22 n ASN 81 N 1.50 3.50 0.00 4.37 4.13 -1.25 -4.22 115.26 123.30 3i22 n ASN 81 Ca 0.00 -2.65 0.00 0.00 1.68 0.00 0.00 54.58 53.61 3i22 n ASN 81 Cb 0.00 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 3i22 n ASN 81 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3i22 n GLU 82 N 0.04 0.00 0.18 3.52 2.13 -1.25 -4.97 120.64 120.29 3i22 n GLU 82 Ca 0.22 0.00 0.04 0.00 0.66 0.00 0.00 57.16 58.08 3i22 n GLU 82 Cb 0.92 0.00 0.35 0.00 0.27 0.00 0.00 31.44 32.98 3i22 n GLU 82 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3i22 h LEU 83 N 0.00 0.00 0.29 4.31 4.07 -1.82 0.25 115.31 122.41 3i22 h LEU 83 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3i22 h LEU 83 Cb 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 3i22 h LEU 83 CO 0.00 0.40 -0.40 1.23 -1.08 0.00 0.00 178.44 178.59 3i22 h GLY 84 N 1.62 -0.90 0.65 0.83 0.00 -1.73 0.28 103.07 103.82 3i22 h GLY 84 Ca -0.00 0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.76 3i22 h GLY 84 CO 0.05 -0.30 -0.31 -2.55 0.00 0.00 0.00 176.54 173.43 3i22 h PRO 85 N -0.75 -0.84 -1.09 4.80 0.11 -1.69 0.07 132.00 132.61 3i22 h PRO 85 Ca -0.01 0.06 0.31 0.00 0.11 0.00 0.00 66.00 66.46 3i22 h PRO 85 Cb 0.70 0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 3i22 h PRO 85 CO -0.13 -0.56 0.77 0.00 -0.21 0.00 0.00 178.00 177.87 3i22 h ARG 86 N -1.11 0.07 -0.27 1.05 3.08 -0.55 0.59 114.38 117.25 3i22 h ARG 86 Ca -0.09 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 3i22 h ARG 86 Cb 0.67 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.63 3i22 h ARG 86 CO 0.15 0.05 -0.12 1.19 -1.07 0.00 0.00 179.97 180.16 3i22 n PHE 87 N -4.28 0.85 -0.02 3.04 3.72 0.97 -4.57 117.46 117.16 3i22 n PHE 87 Ca 0.24 -1.45 -0.16 0.00 -0.05 0.00 0.00 57.45 56.03 3i22 n PHE 87 Cb 1.11 -0.41 -0.13 0.00 -0.94 0.00 0.00 39.48 39.11 3i22 n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i22 h ALA 88 N 1.04 -0.01 -0.47 4.37 0.00 0.23 -3.33 119.26 121.09 3i22 h ALA 88 Ca 0.15 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 54.56 3i22 h ALA 88 Cb 1.50 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 3i22 h ALA 88 CO 0.29 0.14 0.23 0.66 0.00 0.00 0.00 179.25 180.57 3i22 h SER 89 N -0.61 0.33 -3.49 0.00 4.64 -1.81 -3.44 113.55 109.18 3i22 h SER 89 Ca -0.05 0.03 -0.43 0.00 -0.47 0.00 0.00 61.79 60.87 3i22 h SER 89 Cb 1.18 -0.04 0.19 0.00 -0.31 0.00 0.00 62.40 63.42 3i22 h SER 89 CO 0.06 0.24 0.08 -0.60 -0.87 0.00 0.00 176.83 175.74 3i22 s ARG 90 N -6.14 -0.89 -0.40 4.77 3.52 -1.25 -5.05 118.95 113.51 3i22 s ARG 90 Ca -0.13 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.84 3i22 s ARG 90 Cb 0.13 -1.60 0.25 0.00 -1.56 0.00 0.00 34.95 32.17 3i22 s ARG 90 CO 0.73 -3.58 1.07 0.00 -0.81 0.00 0.00 175.30 172.70 3i22 n ALA 91 N -4.75 -2.82 0.00 6.12 0.00 -1.26 -5.01 120.51 112.79 3i22 n ALA 91 Ca 0.08 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3i22 n ALA 91 Cb 0.58 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.50 3i22 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 92 N 1.87 -0.09 3.57 0.00 0.00 -1.26 -5.05 105.19 104.23 3i22 n GLY 92 Ca 0.07 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3i22 n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i22 s GLY 93 N 0.00 1.52 -0.09 -0.02 0.00 -1.26 -4.68 107.32 102.79 3i22 s GLY 93 Ca 0.00 -2.73 0.11 0.00 0.00 0.00 0.00 44.72 42.09 3i22 s GLY 93 CO 0.00 2.73 1.30 -1.72 0.00 0.00 0.00 173.10 175.41 3i22 n TYR 94 N 8.62 1.00 -3.73 1.90 4.01 -1.26 -4.72 117.16 122.99 3i22 n TYR 94 Ca 0.45 -0.39 -0.13 0.00 -0.16 0.00 0.00 57.90 57.67 3i22 n TYR 94 Cb 0.47 -0.21 -0.10 0.00 -0.31 0.00 0.00 39.34 39.20 3i22 n TYR 94 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3i22 s THR 95 N -1.79 0.01 0.08 -0.72 -1.32 -1.26 -2.78 115.64 107.85 3i22 s THR 95 Ca 0.32 -0.08 0.10 0.00 -1.21 0.00 0.00 61.69 60.82 3i22 s THR 95 Cb 0.22 -0.61 -0.03 0.00 -1.51 0.00 0.00 72.50 70.57 3i22 s THR 95 CO 0.14 -0.05 -0.27 -0.60 -2.21 0.00 0.00 174.62 171.64 3i22 s ARG 96 N -0.12 1.65 -0.15 7.08 6.06 -0.19 -4.84 118.95 128.44 3i22 s ARG 96 Ca -0.03 -1.20 -0.09 0.00 -2.50 0.00 0.00 55.73 51.91 3i22 s ARG 96 Cb -0.03 -1.95 -0.24 0.00 0.06 0.00 0.00 34.95 32.79 3i22 s ARG 96 CO 0.02 0.49 0.26 0.44 -2.50 0.00 0.00 175.30 174.00 3i22 n ILE 97 N 1.45 1.70 -3.28 4.11 -5.35 -1.26 -2.23 119.36 114.50 3i22 n ILE 97 Ca -0.17 -0.53 -0.21 0.00 -0.27 0.00 0.00 62.75 61.57 3i22 n ILE 97 Cb 0.52 -1.76 0.01 0.00 -1.74 0.00 0.00 39.64 36.67 3i22 n ILE 97 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3i22 n LEU 98 N -3.65 -1.40 -4.71 7.28 4.32 -1.25 -2.41 117.00 115.18 3i22 n LEU 98 Ca -0.34 -0.56 -0.41 0.00 -0.02 0.00 0.00 56.01 54.68 3i22 n LEU 98 Cb 0.97 -1.14 -0.04 0.00 -1.62 0.00 0.00 43.42 41.59 3i22 n LEU 98 CO 0.36 0.23 0.51 -1.59 -1.22 0.00 0.00 177.39 175.67 3i22 s LYS 99 N -3.55 4.46 0.00 3.23 -2.85 -1.26 -1.49 119.74 118.27 3i22 s LYS 99 Ca 0.07 1.06 0.00 0.00 -1.00 0.00 0.00 55.97 56.10 3i22 s LYS 99 Cb -0.01 -3.47 0.00 0.00 -2.06 0.00 0.00 37.83 32.30 3i22 s LYS 99 CO 0.64 -0.01 0.00 0.00 0.10 0.00 0.00 175.35 176.08 3i22 n GLY 101 N 2.59 3.85 2.26 0.00 0.00 -0.92 -4.90 105.19 108.07 3i22 n GLY 101 Ca 0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 46.02 44.51 3i22 n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i22 n PHE 102 N -1.00 -2.63 -2.69 1.61 3.72 -1.24 -4.64 117.46 110.59 3i22 n PHE 102 Ca 0.00 1.24 -0.32 0.00 -0.05 0.00 0.00 57.45 58.31 3i22 n PHE 102 Cb 0.00 -3.11 -0.05 0.00 -0.94 0.00 0.00 39.48 35.38 3i22 n PHE 102 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3i22 s ARG 103 N -1.00 4.07 0.00 -1.08 3.52 -0.51 -4.87 118.95 119.08 3i22 s ARG 103 Ca -0.03 0.97 0.00 0.00 -0.13 0.00 0.00 55.73 56.54 3i22 s ARG 103 Cb 0.00 -2.20 0.00 0.00 -1.56 0.00 0.00 34.95 31.19 3i22 s ARG 103 CO 0.51 -0.11 0.00 0.00 -0.81 0.00 0.00 175.30 174.89 3i22 n ALA 104 N -1.02 0.00 -1.00 6.12 0.00 -1.26 -3.98 120.51 119.36 3i22 n ALA 104 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3i22 n ALA 104 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i22 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 105 N 0.00 -2.13 3.74 0.00 0.00 -1.26 -4.39 105.19 101.16 3i22 n GLY 105 Ca 0.00 0.41 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 3i22 n GLY 105 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i22 s ASP 106 N -2.92 7.29 -1.10 1.61 1.47 -1.26 -4.92 116.67 116.84 3i22 s ASP 106 Ca 0.00 2.06 -0.13 0.00 1.18 0.00 0.00 52.55 55.66 3i22 s ASP 106 Cb 0.00 -2.60 -0.07 0.00 -0.34 0.00 0.00 42.92 39.91 3i22 s ASP 106 CO 0.00 -0.21 2.23 -3.20 0.68 0.00 0.00 175.17 174.67 3i22 n ASN 107 N 2.44 4.67 -4.45 2.11 4.05 -1.26 -3.72 115.26 119.11 3i22 n ASN 107 Ca 0.03 -2.57 -0.33 0.00 0.45 0.00 0.00 54.58 52.15 3i22 n ASN 107 Cb 0.46 -1.29 -0.13 0.00 1.23 0.00 0.00 39.78 40.06 3i22 n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i22 s ALA 108 N 3.63 2.82 -0.15 5.20 0.00 -1.26 -4.84 121.76 127.17 3i22 s ALA 108 Ca 0.52 -0.86 -0.34 0.00 0.00 0.00 0.00 51.96 51.27 3i22 s ALA 108 Cb 0.14 -1.36 -0.12 0.00 0.00 0.00 0.00 23.12 21.78 3i22 s ALA 108 CO -0.00 0.27 1.94 -0.35 0.00 0.00 0.00 175.76 177.62 3i22 n PRO 109 N 3.37 1.92 -3.76 0.00 -0.04 -1.26 -1.43 135.00 133.80 3i22 n PRO 109 Ca -0.18 0.68 -0.21 0.00 -0.04 0.00 0.00 63.50 63.75 3i22 n PRO 109 Cb 0.53 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 3i22 n PRO 109 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3i22 s MET 110 N 4.51 2.84 0.07 0.54 -1.94 -1.26 -2.06 119.30 121.99 3i22 s MET 110 Ca 0.96 -1.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 3i22 s MET 110 Cb -0.72 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 33.55 3i22 s MET 110 CO 0.52 0.12 0.09 0.00 -0.01 0.00 0.00 175.02 175.73 3i22 n ALA 111 N -1.42 -0.02 -3.14 3.03 0.00 0.29 -2.16 120.51 117.09 3i22 n ALA 111 Ca -0.02 -0.34 -0.19 0.00 0.00 0.00 0.00 53.44 52.89 3i22 n ALA 111 Cb 0.59 0.28 -0.05 0.00 0.00 0.00 0.00 19.45 20.27 3i22 n ALA 111 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i22 n TYR 112 N -0.12 -1.75 -2.71 0.00 4.01 -0.56 -2.87 117.16 113.16 3i22 n TYR 112 Ca 0.00 -2.75 -0.42 0.00 -0.16 0.00 0.00 57.90 54.58 3i22 n TYR 112 Cb 0.12 0.56 -0.03 0.00 -0.31 0.00 0.00 39.34 39.68 3i22 n TYR 112 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 3i22 s ILE 113 N 0.06 4.83 0.05 -0.72 2.07 -0.80 -3.85 121.20 122.85 3i22 s ILE 113 Ca 0.33 2.02 -0.14 0.00 -1.41 0.00 0.00 60.65 61.45 3i22 s ILE 113 Cb 0.08 -4.30 0.02 0.00 0.13 0.00 0.00 42.46 38.38 3i22 s ILE 113 CO -0.15 0.08 0.31 -0.70 -1.91 0.00 0.00 174.94 172.56 3i22 s GLU 114 N 1.57 0.83 0.32 3.50 -6.30 -0.95 -0.03 118.70 117.64 3i22 s GLU 114 Ca 0.49 -0.52 -0.29 0.00 -2.50 0.00 0.00 54.97 52.15 3i22 s GLU 114 Cb -0.19 0.36 -0.11 0.00 0.00 0.00 0.00 34.13 34.19 3i22 s GLU 114 CO 0.22 -0.27 1.42 -0.51 0.02 0.00 0.00 175.26 176.14 3i22 s LEU 115 N -2.11 4.38 0.35 2.70 1.43 -0.61 -1.02 118.68 123.79 3i22 s LEU 115 Ca -0.04 2.81 0.04 0.00 -1.03 0.00 0.00 54.13 55.91 3i22 s LEU 115 Cb -0.01 -3.65 0.68 0.00 0.03 0.00 0.00 46.19 43.24 3i22 s LEU 115 CO -0.04 -0.71 1.96 0.58 0.23 0.00 0.00 176.35 178.37 3i22 h VAL 116 N 3.19 1.07 -0.37 -1.59 2.07 -1.80 -2.60 116.25 116.21 3i22 h VAL 116 Ca -0.48 -0.29 -0.22 0.00 0.82 0.00 0.00 66.70 66.53 3i22 h VAL 116 Cb 1.23 0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 31.04 3i22 h VAL 116 CO 0.70 0.15 0.28 -0.90 0.02 0.00 0.00 177.57 177.82 3i22 n ASP 117 N -4.47 4.45 -1.69 0.57 3.85 -1.26 -4.45 116.55 113.55 3i22 n ASP 117 Ca 0.10 -2.73 -0.13 0.00 -0.71 0.00 0.00 54.79 51.33 3i22 n ASP 117 Cb 0.18 -0.80 0.06 0.00 -1.35 0.00 0.00 41.12 39.20 3i22 n ASP 117 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 3i22 n ARG 118 N 0.17 1.63 -0.69 0.11 0.63 -0.98 -4.73 116.66 112.80 3i22 n ARG 118 Ca 0.23 -1.35 -0.19 0.00 -0.92 0.00 0.00 57.85 55.61 3i22 n ARG 118 Cb 0.79 -1.53 -0.03 0.00 0.45 0.00 0.00 32.46 32.14 3i22 n ARG 118 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3i22 n SER 119 N 0.13 4.54 0.00 6.15 3.41 -1.26 -5.11 113.62 121.48 3i22 n SER 119 Ca 0.26 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 3i22 n SER 119 Cb 0.78 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3i22 n SER 119 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09