#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 n ILE 3 N 0.00 0.08 -3.65 1.53 -0.00 -1.26 -4.84 119.36 111.22 3i21 n ILE 3 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 62.75 62.71 3i21 n ILE 3 Cb 0.00 -0.72 -0.04 0.00 -0.00 0.00 0.00 39.64 38.88 3i21 n ILE 3 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 3i21 s LYS 4 N 3.83 0.00 0.00 0.38 -0.14 -1.26 -4.95 119.74 117.61 3i21 s LYS 4 Ca 1.06 0.00 0.00 0.00 -1.36 0.00 0.00 55.97 55.68 3i21 s LYS 4 Cb -1.37 0.00 0.00 0.00 -1.68 0.00 0.00 37.83 34.78 3i21 s LYS 4 CO 0.74 -0.00 0.39 0.43 -0.76 0.00 0.00 175.35 176.15 3i21 n SER 5 N 0.47 0.40 0.04 2.83 7.64 -1.26 -3.32 113.62 120.43 3i21 n SER 5 Ca 0.01 -1.18 -0.01 0.00 1.01 0.00 0.00 58.87 58.71 3i21 n SER 5 Cb 0.59 -0.20 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 3i21 n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i21 h ALA 6 N 1.78 0.66 -0.31 -0.43 0.00 -1.92 -3.12 119.26 115.92 3i21 h ALA 6 Ca 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 54.91 54.00 3i21 h ALA 6 Cb 0.20 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3i21 h ALA 6 CO 0.00 0.94 -0.04 0.87 0.00 0.00 0.00 179.25 181.02 3i21 h LYS 7 N 0.00 0.57 -0.03 0.00 6.56 -1.88 -2.08 116.57 119.71 3i21 h LYS 7 Ca -0.15 -0.20 -0.13 0.00 -1.06 0.00 0.00 60.65 59.11 3i21 h LYS 7 Cb 1.60 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 33.20 3i21 h LYS 7 CO 0.05 0.74 -0.58 1.57 -2.06 0.00 0.00 179.45 179.17 3i21 h LYS 8 N 0.35 0.10 0.00 3.15 2.10 -1.81 -1.04 116.57 119.42 3i21 h LYS 8 Ca 0.08 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3i21 h LYS 8 Cb 0.51 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.85 3i21 h LYS 8 CO 0.02 0.65 -0.00 -0.09 -2.00 0.00 0.00 179.45 178.03 3i21 h ARG 9 N 0.07 0.00 -0.01 0.07 9.65 -1.50 -1.34 114.38 121.32 3i21 h ARG 9 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i21 h ARG 9 Cb 1.05 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 3i21 h ARG 9 CO 0.08 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.85 3i21 n ALA 10 N -2.09 2.65 -0.04 2.80 0.00 -0.40 -2.18 120.51 121.25 3i21 n ALA 10 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 3i21 n ALA 10 Cb 0.29 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 3i21 n ALA 10 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i21 n ILE 11 N -0.72 0.45 0.32 0.00 5.41 -0.75 -3.91 119.36 120.17 3i21 n ILE 11 Ca 0.20 -0.16 0.22 0.00 1.00 0.00 0.00 62.75 64.01 3i21 n ILE 11 Cb 0.14 -0.98 1.16 0.00 -0.71 0.00 0.00 39.64 39.25 3i21 n ILE 11 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3i21 h GLN 12 N -0.07 0.00 0.00 0.38 4.15 -1.27 0.85 115.11 119.15 3i21 h GLN 12 Ca -0.18 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.00 3i21 h GLN 12 Cb 1.25 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.89 3i21 h GLN 12 CO -0.05 0.00 -2.19 -1.13 -1.93 0.00 0.00 178.83 173.52 3i21 n SER 13 N -3.00 0.07 0.07 -0.69 3.41 -0.93 -3.55 113.62 108.99 3i21 n SER 13 Ca -0.03 0.03 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 3i21 n SER 13 Cb 0.07 1.25 -0.15 0.00 -0.26 0.00 0.00 64.21 65.13 3i21 n SER 13 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3i21 h GLU 14 N 0.00 0.35 -0.60 4.33 4.22 -1.08 0.11 114.58 121.91 3i21 h GLU 14 Ca -0.35 -0.59 -0.02 0.00 0.08 0.00 0.00 59.36 58.48 3i21 h GLU 14 Cb 1.80 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 31.25 3i21 h GLU 14 CO 0.02 1.28 0.29 -0.22 -2.18 0.00 0.00 179.01 178.21 3i21 h LYS 15 N -0.27 0.85 -0.06 1.92 3.11 0.39 -0.99 116.57 121.51 3i21 h LYS 15 Ca -0.17 -0.11 -0.05 0.00 -2.81 0.00 0.00 60.65 57.51 3i21 h LYS 15 Cb 1.75 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.81 3i21 h LYS 15 CO 0.17 0.65 -0.21 0.00 -2.81 0.00 0.00 179.45 177.26 3i21 h ALA 16 N 1.47 1.54 -0.36 5.00 0.00 -1.58 -2.01 119.26 123.33 3i21 h ALA 16 Ca 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3i21 h ALA 16 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i21 h ALA 16 CO -0.03 0.33 0.10 -0.09 0.00 0.00 0.00 179.25 179.57 3i21 h ARG 17 N 0.10 0.56 -0.34 0.00 1.12 0.56 -0.92 114.38 115.46 3i21 h ARG 17 Ca 0.02 -0.13 -0.14 0.00 -1.11 0.00 0.00 59.98 58.62 3i21 h ARG 17 Cb 0.42 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.30 3i21 h ARG 17 CO 0.03 0.59 -0.33 0.87 -3.11 0.00 0.00 179.97 178.02 3i21 h LYS 18 N 0.42 0.82 -0.11 0.20 1.57 -1.09 0.19 116.57 118.57 3i21 h LYS 18 Ca 0.11 -0.43 0.02 0.00 -1.87 0.00 0.00 60.65 58.49 3i21 h LYS 18 Cb 0.28 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3i21 h LYS 18 CO -0.00 1.06 -0.03 1.25 -0.57 0.00 0.00 179.45 181.16 3i21 h HIS 19 N 0.60 -0.07 0.00 -1.35 2.76 -1.37 -0.93 115.15 114.78 3i21 h HIS 19 Ca 0.05 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3i21 h HIS 19 Cb 0.91 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.92 3i21 h HIS 19 CO 0.07 -0.05 0.00 -0.91 -1.30 0.00 0.00 177.93 175.73 3i21 h ASN 20 N -0.01 0.00 0.18 3.26 2.35 -0.98 -3.05 115.58 117.33 3i21 h ASN 20 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3i21 h ASN 20 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3i21 h ASN 20 CO -0.12 0.00 -0.09 0.00 -1.65 0.00 0.00 177.43 175.58 3i21 h ALA 21 N 2.03 -0.56 -0.53 -0.83 0.00 0.79 -2.44 119.26 117.72 3i21 h ALA 21 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i21 h ALA 21 Cb 0.22 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3i21 h ALA 21 CO 0.00 -0.54 0.35 0.66 0.00 0.00 0.00 179.25 179.71 3i21 h SER 22 N -0.43 0.62 -0.78 0.00 4.64 -1.56 0.07 113.55 116.11 3i21 h SER 22 Ca -0.02 -0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.33 3i21 h SER 22 Cb 0.19 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 3i21 h SER 22 CO 0.04 0.46 0.46 0.03 -0.87 0.00 0.00 176.83 176.95 3i21 h ARG 23 N 0.72 0.81 0.72 4.77 2.47 -1.68 1.12 114.38 123.31 3i21 h ARG 23 Ca 0.19 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.83 3i21 h ARG 23 Cb -0.07 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.08 3i21 h ARG 23 CO -0.04 0.53 -0.35 -0.09 0.56 0.00 0.00 179.97 180.59 3i21 h ARG 24 N 0.83 -0.93 -0.11 0.04 2.43 -0.94 -1.90 114.38 113.79 3i21 h ARG 24 Ca 0.35 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.62 3i21 h ARG 24 Cb 0.21 0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 3i21 h ARG 24 CO -0.19 -0.60 -0.11 0.66 -1.51 0.00 0.00 179.97 178.22 3i21 h SER 25 N -1.05 -0.34 -0.77 -3.80 4.64 -0.46 0.32 113.55 112.10 3i21 h SER 25 Ca -0.10 0.07 0.07 0.00 -0.47 0.00 0.00 61.79 61.36 3i21 h SER 25 Cb 0.76 0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 62.92 3i21 h SER 25 CO 0.16 -0.15 -0.50 -0.03 -0.87 0.00 0.00 176.83 175.44 3i21 h MET 26 N -0.13 -0.06 0.12 4.77 -1.53 0.13 0.63 114.93 118.86 3i21 h MET 26 Ca 0.08 0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.36 3i21 h MET 26 Cb 0.24 0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 31.27 3i21 h MET 26 CO -0.19 -0.04 -0.36 1.98 0.14 0.00 0.00 176.91 178.44 3i21 h MET 27 N -0.06 -0.56 -0.04 0.39 -1.53 -0.56 0.07 114.93 112.63 3i21 h MET 27 Ca 0.12 0.04 0.01 0.00 -3.44 0.00 0.00 59.70 56.43 3i21 h MET 27 Cb 0.38 0.13 -0.00 0.00 -0.55 0.00 0.00 31.60 31.56 3i21 h MET 27 CO -0.75 -0.38 0.21 0.00 0.14 0.00 0.00 176.91 176.13 3i21 h ARG 28 N -0.59 0.00 0.01 0.39 3.08 0.84 -1.63 114.38 116.49 3i21 h ARG 28 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3i21 h ARG 28 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3i21 h ARG 28 CO -0.21 0.00 -0.00 1.15 -1.07 0.00 0.00 179.97 179.84 3i21 h THR 29 N 0.00 1.46 0.00 2.04 2.02 0.21 -3.30 112.91 115.34 3i21 h THR 29 Ca 0.02 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.17 3i21 h THR 29 Cb 0.44 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 3i21 h THR 29 CO -0.00 0.48 0.00 0.49 0.37 0.00 0.00 175.52 176.86 3i21 n PHE 30 N -4.66 0.00 -0.04 3.16 3.01 -0.60 -2.14 117.46 116.19 3i21 n PHE 30 Ca -0.08 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.31 3i21 n PHE 30 Cb 0.38 -0.48 -0.06 0.00 -0.01 0.00 0.00 39.48 39.31 3i21 n PHE 30 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3i21 h ILE 31 N 0.00 0.82 0.00 4.37 2.04 -1.52 -3.30 117.51 119.92 3i21 h ILE 31 Ca 0.00 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.30 3i21 h ILE 31 Cb 0.14 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3i21 h ILE 31 CO 0.00 0.27 0.00 0.29 0.00 0.00 0.00 178.15 178.71 3i21 n LYS 32 N -4.73 0.48 0.20 2.37 5.02 -1.13 0.15 118.16 120.52 3i21 n LYS 32 Ca -0.05 0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 3i21 n LYS 32 Cb 0.23 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 34.08 3i21 n LYS 32 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i21 h LYS 33 N 0.00 0.00 0.00 1.97 3.64 -1.51 -1.86 116.57 118.82 3i21 h LYS 33 Ca 0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 3i21 h LYS 33 Cb 0.11 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 3i21 h LYS 33 CO 0.00 0.32 -1.93 0.28 -2.27 0.00 0.00 179.45 175.85 3i21 n VAL 34 N -3.42 0.94 0.13 2.00 0.31 0.05 -4.32 118.33 114.01 3i21 n VAL 34 Ca 0.00 -0.38 -0.05 0.00 -0.01 0.00 0.00 64.34 63.90 3i21 n VAL 34 Cb 0.51 -1.04 -0.02 0.00 -0.91 0.00 0.00 33.84 32.37 3i21 n VAL 34 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3i21 h TYR 35 N 0.00 -0.31 -0.01 3.52 3.20 0.14 -3.27 116.97 120.23 3i21 h TYR 35 Ca -0.37 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3i21 h TYR 35 Cb 1.59 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.96 3i21 h TYR 35 CO 0.02 -0.19 0.01 0.00 -1.64 0.00 0.00 178.16 176.35 3i21 h ALA 36 N -1.73 1.98 0.00 1.82 0.00 -1.55 -1.95 119.26 117.82 3i21 h ALA 36 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i21 h ALA 36 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i21 h ALA 36 CO 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3i21 n ALA 37 N -2.53 2.06 -0.01 0.00 0.00 -1.23 -2.00 120.51 116.80 3i21 n ALA 37 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.43 3i21 n ALA 37 Cb 0.10 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 3i21 n ALA 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i21 n ILE 38 N 0.06 0.15 -0.16 0.00 5.41 -0.73 -4.46 119.36 119.63 3i21 n ILE 38 Ca 0.00 -0.21 -0.05 0.00 1.00 0.00 0.00 62.75 63.49 3i21 n ILE 38 Cb 0.15 -0.04 0.01 0.00 -0.71 0.00 0.00 39.64 39.04 3i21 n ILE 38 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3i21 h GLU 39 N 0.00 -0.16 -0.04 0.38 5.08 -1.56 -1.63 114.58 116.65 3i21 h GLU 39 Ca -0.06 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3i21 h GLU 39 Cb 0.69 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 3i21 h GLU 39 CO 0.00 -0.10 -0.41 0.00 -1.00 0.00 0.00 179.01 177.50 3i21 h ALA 40 N 1.05 -0.83 0.00 3.43 0.00 -1.81 -3.47 119.26 117.63 3i21 h ALA 40 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i21 h ALA 40 Cb 0.51 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3i21 h ALA 40 CO -0.59 -0.96 0.00 0.41 0.00 0.00 0.00 179.25 178.11 3i21 n GLY 41 N -1.34 0.81 2.40 0.00 0.00 -0.62 -5.02 105.19 101.42 3i21 n GLY 41 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3i21 n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i21 n ASP 42 N 0.00 7.80 0.00 1.61 10.43 -1.26 -4.90 116.55 130.23 3i21 n ASP 42 Ca 0.00 -2.60 0.00 0.00 2.57 0.00 0.00 54.79 54.76 3i21 n ASP 42 Cb 0.00 -1.55 0.00 0.00 1.84 0.00 0.00 41.12 41.41 3i21 n ASP 42 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i21 n LYS 43 N 4.02 0.00 -2.45 -1.24 5.02 -1.26 0.14 118.16 122.39 3i21 n LYS 43 Ca 0.73 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 57.03 3i21 n LYS 43 Cb 0.25 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.30 3i21 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i21 n ALA 44 N 4.54 2.54 1.06 7.82 0.00 -1.26 -4.82 120.51 130.40 3i21 n ALA 44 Ca 0.00 -2.58 0.13 0.00 0.00 0.00 0.00 53.44 50.99 3i21 n ALA 44 Cb 0.00 -0.83 0.62 0.00 0.00 0.00 0.00 19.45 19.24 3i21 n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 n ALA 45 N -0.31 2.30 0.81 0.00 0.00 0.12 -2.44 120.51 120.99 3i21 n ALA 45 Ca 0.06 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.51 3i21 n ALA 45 Cb 0.90 -1.45 0.28 0.00 0.00 0.00 0.00 19.45 19.18 3i21 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 n ALA 46 N -1.44 3.08 1.88 0.00 0.00 -1.26 -3.02 120.51 119.76 3i21 n ALA 46 Ca 0.09 -0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.36 3i21 n ALA 46 Cb 0.29 -1.20 0.55 0.00 0.00 0.00 0.00 19.45 19.09 3i21 n ALA 46 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i21 n GLN 47 N -1.77 1.11 -0.10 0.00 0.00 -1.02 -1.17 117.38 114.42 3i21 n GLN 47 Ca 0.05 -0.17 -0.18 0.00 -0.00 0.00 0.00 57.00 56.70 3i21 n GLN 47 Cb 0.38 -1.32 -0.08 0.00 0.00 0.00 0.00 30.24 29.22 3i21 n GLN 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3i21 n LYS 48 N -0.63 0.45 0.24 3.69 4.81 -1.17 -4.23 118.16 121.32 3i21 n LYS 48 Ca 0.15 0.16 0.13 0.00 -0.87 0.00 0.00 58.31 57.87 3i21 n LYS 48 Cb 0.11 -1.30 0.44 0.00 0.02 0.00 0.00 35.03 34.30 3i21 n LYS 48 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i21 h ALA 49 N -0.43 0.98 0.17 3.14 0.00 -1.57 -3.19 119.26 118.36 3i21 h ALA 49 Ca -0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 3i21 h ALA 49 Cb 1.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3i21 h ALA 49 CO -0.21 0.13 -0.08 0.35 0.00 0.00 0.00 179.25 179.44 3i21 h PHE 50 N 0.00 -0.21 0.00 0.00 3.04 -1.36 -2.42 116.94 115.99 3i21 h PHE 50 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 3i21 h PHE 50 Cb 0.77 0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.35 3i21 h PHE 50 CO 0.00 0.10 0.12 -0.91 -2.02 0.00 0.00 178.31 175.60 3i21 h ASN 51 N -0.54 0.00 0.07 0.41 4.21 -1.73 -0.45 115.58 117.56 3i21 h ASN 51 Ca -0.02 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.25 3i21 h ASN 51 Cb 0.41 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.62 3i21 h ASN 51 CO 0.04 0.00 -0.93 -0.08 -1.29 0.00 0.00 177.43 175.17 3i21 h GLU 52 N 0.00 0.63 -0.01 0.81 4.57 -1.43 -3.34 114.58 115.81 3i21 h GLU 52 Ca 0.00 -0.62 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 3i21 h GLU 52 Cb 0.23 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3i21 h GLU 52 CO 0.00 1.23 -0.60 0.00 -1.18 0.00 0.00 179.01 178.46 3i21 n MET 53 N -3.85 0.94 -0.10 1.92 0.00 -0.31 -4.40 117.12 111.33 3i21 n MET 53 Ca -0.09 -0.76 -0.07 0.00 0.00 0.00 0.00 57.70 56.78 3i21 n MET 53 Cb 0.82 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.57 3i21 n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3i21 h GLN 54 N 1.85 0.34 -0.01 3.17 4.15 -1.33 0.12 115.11 123.40 3i21 h GLN 54 Ca 0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 3i21 h GLN 54 Cb 0.69 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 3i21 h GLN 54 CO 0.00 0.23 -0.36 -1.00 -1.93 0.00 0.00 178.83 175.76 3i21 h PRO 55 N 0.35 0.02 -0.41 -2.39 0.13 -1.79 -1.58 132.00 126.34 3i21 h PRO 55 Ca 0.14 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.18 3i21 h PRO 55 Cb 0.05 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 3i21 h PRO 55 CO -0.10 0.38 -0.06 0.82 -0.23 0.00 0.00 178.00 178.81 3i21 h ILE 56 N 0.02 1.27 0.24 -3.56 2.04 -1.44 -0.40 117.51 115.68 3i21 h ILE 56 Ca -0.00 -1.14 -0.33 0.00 1.00 0.00 0.00 64.86 64.39 3i21 h ILE 56 Cb 0.65 1.17 0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3i21 h ILE 56 CO 0.05 0.38 -1.46 0.58 0.00 0.00 0.00 178.15 177.70 3i21 h VAL 57 N 0.60 1.30 -0.16 1.67 2.07 -0.77 -3.04 116.25 117.91 3i21 h VAL 57 Ca 0.11 -2.75 -0.11 0.00 0.82 0.00 0.00 66.70 64.78 3i21 h VAL 57 Cb 0.58 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 3i21 h VAL 57 CO 0.03 0.82 -0.37 0.44 0.02 0.00 0.00 177.57 178.52 3i21 h ASP 58 N 0.14 0.36 0.43 0.57 3.32 -1.32 -2.67 116.42 117.25 3i21 h ASP 58 Ca -0.24 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 3i21 h ASP 58 Cb 2.15 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.60 3i21 h ASP 58 CO 0.27 0.70 -0.21 -0.09 -1.72 0.00 0.00 179.24 178.19 3i21 h ARG 59 N 0.29 -0.56 0.00 3.56 2.43 -1.15 -2.83 114.38 116.13 3i21 h ARG 59 Ca 0.03 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3i21 h ARG 59 Cb 0.79 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3i21 h ARG 59 CO 0.06 -0.37 0.01 1.04 -1.51 0.00 0.00 179.97 179.20 3i21 n GLN 60 N -3.93 0.00 0.00 0.20 1.13 -1.15 -1.55 117.38 112.09 3i21 n GLN 60 Ca -0.07 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 3i21 n GLN 60 Cb 0.23 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.07 3i21 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i21 n ALA 61 N -1.10 0.00 0.21 -1.58 0.00 -1.01 -2.92 120.51 114.12 3i21 n ALA 61 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3i21 n ALA 61 Cb 0.01 0.00 0.44 0.00 0.00 0.00 0.00 19.45 19.91 3i21 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 h ALA 62 N -2.00 1.26 -3.11 0.00 0.00 -1.53 -3.24 119.26 110.63 3i21 h ALA 62 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 3i21 h ALA 62 Cb 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.45 3i21 h ALA 62 CO 0.00 -0.26 -0.32 0.21 0.00 0.00 0.00 179.25 178.88 3i21 s LYS 63 N -3.51 2.66 1.64 0.00 2.47 -0.59 -5.05 119.74 117.36 3i21 s LYS 63 Ca -0.02 -2.47 0.00 0.00 -1.56 0.00 0.00 55.97 51.92 3i21 s LYS 63 Cb 0.05 -3.81 0.00 0.00 -1.46 0.00 0.00 37.83 32.60 3i21 s LYS 63 CO 0.15 -1.18 0.00 0.41 0.16 0.00 0.00 175.35 174.88 3i21 n GLY 64 N 3.64 0.83 7.00 5.54 0.00 -1.24 -4.40 105.19 116.56 3i21 n GLY 64 Ca 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3i21 n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i21 n LEU 65 N 0.00 0.00 -0.31 0.99 4.77 -1.26 -2.81 117.00 118.38 3i21 n LEU 65 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3i21 n LEU 65 Cb 0.00 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.33 3i21 n LEU 65 CO 0.00 -0.04 0.70 2.30 -1.33 0.00 0.00 177.39 179.02 3i21 n ILE 66 N 0.00 -0.38 -3.29 -0.08 -5.35 -1.25 -4.81 119.36 104.21 3i21 n ILE 66 Ca 0.00 1.98 0.00 0.00 -0.27 0.00 0.00 62.75 64.46 3i21 n ILE 66 Cb 0.00 -2.87 0.00 0.00 -1.74 0.00 0.00 39.64 35.03 3i21 n ILE 66 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 3i21 n HIS 67 N -5.33 0.00 -0.35 4.28 -0.00 -1.12 -4.76 115.22 107.93 3i21 n HIS 67 Ca 0.20 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.38 3i21 n HIS 67 Cb 0.66 0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.58 3i21 n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3i21 n LYS 68 N 4.39 0.00 -0.22 1.57 4.01 -1.26 -2.29 118.16 124.35 3i21 n LYS 68 Ca 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.86 3i21 n LYS 68 Cb 0.00 0.00 0.18 0.00 -0.51 0.00 0.00 35.03 34.70 3i21 n LYS 68 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3i21 n ASN 69 N 1.36 3.12 -0.34 4.39 2.04 -1.26 -4.65 115.26 119.91 3i21 n ASN 69 Ca 0.00 -2.12 0.24 0.00 -0.44 0.00 0.00 54.58 52.25 3i21 n ASN 69 Cb 0.00 -0.28 0.47 0.00 -2.53 0.00 0.00 39.78 37.44 3i21 n ASN 69 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 3i21 h LYS 70 N 2.14 0.35 0.67 -3.83 1.63 -1.76 0.95 116.57 116.72 3i21 h LYS 70 Ca 0.00 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 3i21 h LYS 70 Cb 0.84 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.39 3i21 h LYS 70 CO 0.03 0.23 -0.32 0.00 -3.45 0.00 0.00 179.45 175.94 3i21 h ALA 71 N 1.80 -0.90 -0.29 5.00 0.00 -1.83 -2.55 119.26 120.49 3i21 h ALA 71 Ca 0.71 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.45 3i21 h ALA 71 Cb 1.64 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 3i21 h ALA 71 CO -0.55 -1.00 -0.19 0.00 0.00 0.00 0.00 179.25 177.52 3i21 h ALA 72 N -0.59 -0.21 0.00 0.00 0.00 -1.17 0.54 119.26 117.84 3i21 h ALA 72 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i21 h ALA 72 Cb 0.70 1.09 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3i21 h ALA 72 CO 0.15 -0.33 0.00 2.89 0.00 0.00 0.00 179.25 181.96 3i21 n ARG 73 N -3.69 0.58 -0.11 0.00 -4.01 -0.99 0.10 116.66 108.53 3i21 n ARG 73 Ca 0.00 0.00 -0.20 0.00 -1.04 0.00 0.00 57.85 56.61 3i21 n ARG 73 Cb 0.09 -1.04 -0.09 0.00 -3.04 0.00 0.00 32.46 28.37 3i21 n ARG 73 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 3i21 n HIS 74 N -0.54 0.00 -0.17 2.89 8.25 0.78 -4.46 115.22 121.98 3i21 n HIS 74 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 3i21 n HIS 74 Cb 0.01 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.27 3i21 n HIS 74 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3i21 h LYS 75 N -0.43 0.98 0.66 -0.41 1.57 0.19 -3.14 116.57 115.99 3i21 h LYS 75 Ca -0.55 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 57.81 3i21 h LYS 75 Cb 1.64 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.91 3i21 h LYS 75 CO -0.22 1.07 -0.32 0.00 -0.57 0.00 0.00 179.45 179.41 3i21 h ALA 76 N 0.88 -0.89 0.00 3.86 0.00 -0.56 -1.06 119.26 121.50 3i21 h ALA 76 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i21 h ALA 76 Cb 0.73 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3i21 h ALA 76 CO 0.06 -0.92 0.00 0.27 0.00 0.00 0.00 179.25 178.66 3i21 n ASN 77 N -5.42 1.65 -0.01 0.00 6.94 -1.25 -2.12 115.26 115.06 3i21 n ASN 77 Ca -0.13 -1.75 -0.01 0.00 -0.02 0.00 0.00 54.58 52.67 3i21 n ASN 77 Cb 0.37 -0.44 -0.01 0.00 -2.36 0.00 0.00 39.78 37.35 3i21 n ASN 77 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3i21 n LEU 78 N 0.28 2.06 0.03 -4.53 4.77 -1.02 -4.32 117.00 114.28 3i21 n LEU 78 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3i21 n LEU 78 Cb 0.32 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 3i21 n LEU 78 CO 0.00 0.37 0.84 0.74 -1.33 0.00 0.00 177.39 178.00 3i21 h THR 79 N -0.02 1.05 0.00 -5.08 2.02 -0.99 -2.31 112.91 107.58 3i21 h THR 79 Ca -0.04 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 3i21 h THR 79 Cb 1.05 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.61 3i21 h THR 79 CO -0.01 0.04 -0.11 0.00 0.37 0.00 0.00 175.52 175.81 3i21 h ALA 80 N 0.92 1.05 -0.74 6.16 0.00 -1.68 -1.63 119.26 123.34 3i21 h ALA 80 Ca -0.00 -0.10 -0.57 0.00 0.00 0.00 0.00 54.91 54.24 3i21 h ALA 80 Cb 0.07 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.63 3i21 h ALA 80 CO 0.00 0.14 0.68 1.04 0.00 0.00 0.00 179.25 181.11 3i21 n GLN 81 N -3.30 2.42 0.00 0.00 6.02 -0.87 -3.01 117.38 118.64 3i21 n GLN 81 Ca -0.00 -2.68 0.00 0.00 -0.01 0.00 0.00 57.00 54.30 3i21 n GLN 81 Cb 0.33 -2.09 0.00 0.00 1.02 0.00 0.00 30.24 29.50 3i21 n GLN 81 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3i21 n ILE 82 N 0.01 0.00 0.26 5.09 -5.35 -1.17 -4.88 119.36 113.32 3i21 n ILE 82 Ca 0.49 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 63.07 3i21 n ILE 82 Cb 0.50 0.00 0.44 0.00 -1.74 0.00 0.00 39.64 38.84 3i21 n ILE 82 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3i21 n ASN 83 N -0.30 0.45 0.03 7.28 5.15 -0.62 -0.03 115.26 127.22 3i21 n ASN 83 Ca 0.00 0.66 0.13 0.00 -0.60 0.00 0.00 54.58 54.77 3i21 n ASN 83 Cb 0.00 -0.74 0.43 0.00 -0.53 0.00 0.00 39.78 38.94 3i21 n ASN 83 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3i21 n LYS 84 N -2.05 0.09 -0.25 1.20 5.02 -1.17 -3.07 118.16 117.94 3i21 n LYS 84 Ca 0.01 0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.42 3i21 n LYS 84 Cb 0.11 -1.58 0.18 0.00 -0.02 0.00 0.00 35.03 33.72 3i21 n LYS 84 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i21 n LEU 85 N -1.73 3.09 0.00 -0.35 4.77 0.96 -5.16 117.00 118.58 3i21 n LEU 85 Ca 0.06 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 3i21 n LEU 85 Cb 0.37 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3i21 n LEU 85 CO 0.31 0.67 0.00 0.00 -1.33 0.00 0.00 177.39 177.04