#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qry h SER 2 N 0.00 0.10 -5.15 1.61 4.64 -2.11 -3.47 113.55 109.17 1qry h SER 2 Ca 0.00 -0.33 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 1qry h SER 2 Cb 0.00 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.00 1qry h SER 2 CO 0.00 0.40 0.06 -1.00 -0.87 0.00 0.00 176.83 175.43 1qry s HIS 3 N -4.90 0.20 -0.07 4.77 3.76 -1.26 -5.08 115.29 112.70 1qry s HIS 3 Ca -0.15 -0.64 -0.06 0.00 -0.15 0.00 0.00 55.06 54.07 1qry s HIS 3 Cb 0.04 0.46 0.02 0.00 1.11 0.00 0.00 32.58 34.21 1qry s HIS 3 CO 0.69 -1.20 0.11 -1.33 -0.85 0.00 0.00 174.74 172.16 1qry n MET 4 N -0.45 -4.17 0.00 1.40 2.81 -1.26 -5.07 117.12 110.37 1qry n MET 4 Ca -0.03 3.16 0.00 0.00 -1.81 0.00 0.00 57.70 59.01 1qry n MET 4 Cb 0.60 -4.29 0.00 0.00 -0.71 0.00 0.00 33.22 28.83 1qry n MET 4 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1qry n SER 5 N 1.50 0.00 -0.25 7.83 7.64 -1.26 -4.92 113.62 124.16 1qry n SER 5 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1qry n SER 5 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1qry n SER 5 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1qry n ASP 6 N 0.00 0.00 -4.87 6.43 8.00 -1.26 -5.15 116.55 119.70 1qry n ASP 6 Ca 0.00 -0.25 -0.33 0.00 0.71 0.00 0.00 54.79 54.92 1qry n ASP 6 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1qry n ASP 6 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qry s GLY 7 N -0.25 2.32 0.19 0.44 0.00 -1.26 -4.97 107.32 103.79 1qry s GLY 7 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 44.72 44.27 1qry s GLY 7 CO 0.00 -0.16 1.74 1.41 0.00 0.00 0.00 173.10 176.09 1qry h LEU 8 N 3.13 0.13 -1.40 0.66 -0.00 -2.01 0.50 115.31 116.32 1qry h LEU 8 Ca -0.48 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1qry h LEU 8 Cb 1.18 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1qry h LEU 8 CO 0.68 0.10 0.00 1.55 -0.00 0.00 0.00 178.44 180.77 1qry h PRO 9 N 0.33 0.00 -0.22 1.13 0.13 -2.06 -0.15 132.00 131.16 1qry h PRO 9 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1qry h PRO 9 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1qry h PRO 9 CO -0.29 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 175.77 1qry n ASN 10 N -2.33 0.68 -3.75 1.44 2.85 0.18 -4.70 115.26 109.63 1qry n ASN 10 Ca -0.01 -2.02 -0.19 0.00 -0.11 0.00 0.00 54.58 52.25 1qry n ASN 10 Cb 0.08 -0.13 -0.17 0.00 1.24 0.00 0.00 39.78 40.80 1qry n ASN 10 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1qry s LYS 11 N -1.78 0.20 0.14 1.20 2.47 -0.07 -4.90 119.74 117.01 1qry s LYS 11 Ca 0.07 0.20 -0.17 0.00 -1.56 0.00 0.00 55.97 54.51 1qry s LYS 11 Cb 0.04 -0.58 0.03 0.00 -1.46 0.00 0.00 37.83 35.86 1qry s LYS 11 CO 0.04 -0.24 0.44 -1.59 0.16 0.00 0.00 175.35 174.15 1qry s LYS 12 N 1.64 1.16 -0.89 4.03 -2.85 -1.26 -4.98 119.74 116.59 1qry s LYS 12 Ca -0.01 -0.74 -0.06 0.00 -1.00 0.00 0.00 55.97 54.15 1qry s LYS 12 Cb -0.13 0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 36.12 1qry s LYS 12 CO -0.03 -0.47 0.71 0.54 0.10 0.00 0.00 175.35 176.20 1qry n ARG 13 N -0.26 -1.41 -0.14 1.78 5.12 -1.26 -4.79 116.66 115.70 1qry n ARG 13 Ca -0.14 0.98 0.23 0.00 -1.93 0.00 0.00 57.85 56.98 1qry n ARG 13 Cb 0.64 -4.34 0.64 0.00 -1.16 0.00 0.00 32.46 28.24 1qry n ARG 13 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1qry h LYS 14 N -0.45 0.14 -5.94 5.56 1.57 -2.05 -3.46 116.57 111.94 1qry h LYS 14 Ca -0.39 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1qry h LYS 14 Cb 1.23 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1qry h LYS 14 CO 0.37 0.09 -0.55 -2.13 -0.57 0.00 0.00 179.45 176.66 1qry n ARG 15 N -4.38 -1.81 -3.85 3.15 3.00 -1.26 -4.97 116.66 106.54 1qry n ARG 15 Ca 0.16 1.63 -0.22 0.00 -0.00 0.00 0.00 57.85 59.43 1qry n ARG 15 Cb 0.76 -1.88 -0.04 0.00 0.00 0.00 0.00 32.46 31.29 1qry n ARG 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1qry s ARG 16 N -0.43 2.58 -0.18 -0.14 3.52 -1.26 -5.12 118.95 117.92 1qry s ARG 16 Ca -0.05 -1.42 -0.35 0.00 -0.13 0.00 0.00 55.73 53.77 1qry s ARG 16 Cb 0.00 -2.36 0.14 0.00 -1.56 0.00 0.00 34.95 31.17 1qry s ARG 16 CO 0.19 0.04 1.28 0.54 -0.81 0.00 0.00 175.30 176.54 1qry s VAL 17 N -2.38 0.00 0.00 7.11 0.11 -1.26 -5.16 120.40 118.82 1qry s VAL 17 Ca 0.41 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 1qry s VAL 17 Cb -0.04 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1qry s VAL 17 CO 0.26 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.03 1qry n LEU 18 N -0.15 0.00 -1.32 2.54 -0.00 -1.26 -5.16 117.00 111.65 1qry n LEU 18 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1qry n LEU 18 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1qry n LEU 18 CO 0.09 0.00 -0.38 0.49 -0.00 0.00 0.00 177.39 177.59 1qry n PHE 19 N 0.00 -3.64 -1.91 1.47 3.72 -1.26 -4.76 117.46 111.08 1qry n PHE 19 Ca 0.00 1.94 -0.42 0.00 -0.05 0.00 0.00 57.45 58.92 1qry n PHE 19 Cb 0.00 -3.09 -0.03 0.00 -0.94 0.00 0.00 39.48 35.42 1qry n PHE 19 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1qry s THR 20 N -3.49 2.62 0.44 4.37 -4.23 -1.26 -4.74 115.64 109.34 1qry s THR 20 Ca 0.00 0.40 0.07 0.00 -1.18 0.00 0.00 61.69 60.98 1qry s THR 20 Cb 0.00 -3.26 0.07 0.00 1.34 0.00 0.00 72.50 70.65 1qry s THR 20 CO 0.00 0.03 1.11 0.11 -0.54 0.00 0.00 174.62 175.32 1qry h LYS 21 N 7.05 0.00 0.13 3.99 6.56 -1.98 0.51 116.57 132.84 1qry h LYS 21 Ca -0.43 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.16 1qry h LYS 21 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1qry h LYS 21 CO 0.92 0.00 -0.06 0.00 -2.06 0.00 0.00 179.45 178.25 1qry h ALA 22 N 0.41 -0.31 -3.00 3.86 0.00 -1.98 -2.22 119.26 116.02 1qry h ALA 22 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qry h ALA 22 Cb 1.39 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1qry h ALA 22 CO 0.00 -0.30 0.00 1.04 0.00 0.00 0.00 179.25 179.99 1qry n GLN 23 N -3.52 0.00 -0.48 0.00 6.02 0.18 0.62 117.38 120.20 1qry n GLN 23 Ca -0.02 0.38 0.37 0.00 -0.01 0.00 0.00 57.00 57.71 1qry n GLN 23 Cb 0.07 -0.98 0.56 0.00 1.02 0.00 0.00 30.24 30.92 1qry n GLN 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1qry n THR 24 N -0.86 0.00 0.00 5.09 -1.04 -1.01 0.42 114.28 116.88 1qry n THR 24 Ca 0.00 1.06 0.00 0.00 -2.04 0.00 0.00 64.05 63.07 1qry n THR 24 Cb 0.00 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 1qry n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qry n TYR 25 N -3.31 0.00 -0.29 -1.42 9.36 0.20 0.95 117.16 122.65 1qry n TYR 25 Ca 0.31 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.59 1qry n TYR 25 Cb 1.43 -0.07 0.16 0.00 -0.63 0.00 0.00 39.34 40.23 1qry n TYR 25 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1qry h GLU 26 N 0.00 0.04 -0.33 2.98 4.39 -0.17 4.50 114.58 125.99 1qry h GLU 26 Ca 0.00 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.79 1qry h GLU 26 Cb 0.00 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1qry h GLU 26 CO 0.00 0.02 0.26 1.25 -1.16 0.00 0.00 179.01 179.39 1qry h LEU 27 N 0.04 0.00 0.20 1.33 5.85 -0.12 0.13 115.31 122.74 1qry h LEU 27 Ca 0.45 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.84 1qry h LEU 27 Cb 0.79 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.84 1qry h LEU 27 CO -0.81 0.00 -1.57 -0.33 -0.34 0.00 0.00 178.44 175.39 1qry h GLU 28 N 0.00 0.42 -0.48 1.25 4.39 1.52 -3.33 114.58 118.35 1qry h GLU 28 Ca 0.16 -0.71 0.07 0.00 0.34 0.00 0.00 59.36 59.21 1qry h GLU 28 Cb 0.68 0.27 -0.06 0.00 -0.10 0.00 0.00 28.75 29.54 1qry h GLU 28 CO -0.00 1.34 0.15 0.00 -1.16 0.00 0.00 179.01 179.34 1qry h ARG 29 N 0.04 0.30 -0.94 2.33 3.08 0.32 0.35 114.38 119.86 1qry h ARG 29 Ca -0.30 -0.02 0.26 0.00 0.07 0.00 0.00 59.98 59.99 1qry h ARG 29 Cb 2.05 -0.07 -0.14 0.00 0.08 0.00 0.00 29.97 31.89 1qry h ARG 29 CO 0.19 0.20 0.42 -0.09 -1.07 0.00 0.00 179.97 179.62 1qry h ARG 30 N 0.31 0.32 -0.91 0.04 1.12 -0.96 0.35 114.38 114.65 1qry h ARG 30 Ca 0.23 -0.02 0.25 0.00 -1.11 0.00 0.00 59.98 59.34 1qry h ARG 30 Cb 0.26 -0.07 -0.16 0.00 -0.01 0.00 0.00 29.97 29.99 1qry h ARG 30 CO -0.25 0.21 0.19 0.35 -3.11 0.00 0.00 179.97 177.35 1qry h PHE 31 N 0.33 0.25 0.00 2.20 3.04 -0.41 1.88 116.94 124.23 1qry h PHE 31 Ca 0.63 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.63 1qry h PHE 31 Cb 1.31 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.86 1qry h PHE 31 CO -0.12 -0.29 0.00 0.54 -2.02 0.00 0.00 178.31 176.41 1qry n ARG 32 N -5.31 0.00 -0.07 1.11 3.00 0.12 -2.42 116.66 113.10 1qry n ARG 32 Ca 0.23 0.00 0.25 0.00 -0.01 0.00 0.00 57.85 58.32 1qry n ARG 32 Cb 0.74 -0.81 0.65 0.00 0.00 0.00 0.00 32.46 33.04 1qry n ARG 32 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1qry h GLN 33 N 0.00 0.00 -3.05 5.56 4.20 -1.53 -3.36 115.11 116.93 1qry h GLN 33 Ca 0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 1qry h GLN 33 Cb 0.00 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.45 1qry h GLN 33 CO 0.00 0.00 -0.58 -1.14 -0.67 0.00 0.00 178.83 176.44 1qry s GLN 34 N -4.60 0.10 0.00 1.46 2.00 0.64 -5.00 119.66 114.26 1qry s GLN 34 Ca -0.04 0.57 0.09 0.00 -2.00 0.00 0.00 55.36 53.98 1qry s GLN 34 Cb 0.16 -0.17 0.06 0.00 0.80 0.00 0.00 33.01 33.86 1qry s GLN 34 CO 0.56 -0.25 0.75 2.89 -0.50 0.00 0.00 175.29 178.73 1qry n ARG 35 N 4.96 0.58 -2.45 1.67 1.85 -1.01 -2.18 116.66 120.07 1qry n ARG 35 Ca -0.12 -0.95 -0.16 0.00 -1.00 0.00 0.00 57.85 55.62 1qry n ARG 35 Cb 0.51 -1.15 0.02 0.00 -1.05 0.00 0.00 32.46 30.79 1qry n ARG 35 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1qry n TYR 36 N 0.37 2.24 -1.53 2.89 0.18 -1.26 -5.03 117.16 115.02 1qry n TYR 36 Ca 0.05 -2.51 -0.58 0.00 1.88 0.00 0.00 57.90 56.74 1qry n TYR 36 Cb 0.22 -0.26 -0.08 0.00 -0.38 0.00 0.00 39.34 38.84 1qry n TYR 36 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1qry n LEU 37 N -0.51 0.43 0.00 -3.48 4.32 -1.26 -4.91 117.00 111.58 1qry n LEU 37 Ca 0.27 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 57.41 1qry n LEU 37 Cb 0.83 -0.98 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 1qry n LEU 37 CO 0.28 -1.67 0.00 -1.54 -1.22 0.00 0.00 177.39 173.24 1qry n SER 38 N 1.84 0.00 0.04 -1.43 3.41 -1.26 -4.72 113.62 111.50 1qry n SER 38 Ca 0.20 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.73 1qry n SER 38 Cb 0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.93 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qry h ALA 39 N 1.00 0.43 0.00 7.33 0.00 -1.99 -2.14 119.26 123.89 1qry h ALA 39 Ca 0.00 -1.04 -0.19 0.00 0.00 0.00 0.00 54.91 53.67 1qry h ALA 39 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1qry h ALA 39 CO 0.00 1.31 -1.67 -0.35 0.00 0.00 0.00 179.25 178.53 1qry n PRO 40 N -3.30 0.64 -0.09 0.00 -0.04 -1.26 -3.94 135.00 127.01 1qry n PRO 40 Ca -0.05 0.14 -0.18 0.00 -0.04 0.00 0.00 63.50 63.37 1qry n PRO 40 Cb 0.97 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.60 1qry n PRO 40 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1qry h GLU 41 N 0.00 0.00 -0.77 0.54 3.07 -1.92 -3.36 114.58 112.13 1qry h GLU 41 Ca -0.22 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 58.79 1qry h GLU 41 Cb 1.67 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.43 1qry h GLU 41 CO 0.04 0.91 -0.24 0.00 -1.40 0.00 0.00 179.01 178.32 1qry h ARG 42 N -1.00 -0.03 -0.66 2.33 3.08 -1.60 0.59 114.38 117.09 1qry h ARG 42 Ca -0.23 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.01 1qry h ARG 42 Cb 1.14 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 31.07 1qry h ARG 42 CO -0.14 -0.02 0.05 0.39 -1.07 0.00 0.00 179.97 179.18 1qry n GLU 43 N -5.50 -0.05 0.02 0.04 -0.58 -1.25 0.24 120.64 113.56 1qry n GLU 43 Ca 0.10 0.99 -0.10 0.00 -0.42 0.00 0.00 57.16 57.72 1qry n GLU 43 Cb 0.39 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.64 1qry n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1qry h HIS 44 N 0.00 -0.56 0.92 -0.32 2.76 0.02 -1.42 115.15 116.55 1qry h HIS 44 Ca 0.42 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.57 1qry h HIS 44 Cb 0.90 0.26 0.01 0.00 1.55 0.00 0.00 27.41 30.13 1qry h HIS 44 CO -0.30 -0.29 -0.44 1.25 -1.30 0.00 0.00 177.93 176.84 1qry h LEU 45 N -0.30 -1.05 -0.15 0.26 7.12 0.30 -1.78 115.31 119.71 1qry h LEU 45 Ca 0.08 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.13 1qry h LEU 45 Cb 0.42 0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1qry h LEU 45 CO -0.25 -0.73 0.72 0.71 -0.13 0.00 0.00 178.44 178.76 1qry h THR 46 N -1.28 0.00 0.16 1.05 1.35 -0.46 4.00 112.91 117.72 1qry h THR 46 Ca -0.13 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.38 1qry h THR 46 Cb 0.95 0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1qry h THR 46 CO 0.21 0.00 -1.80 0.77 -0.25 0.00 0.00 175.52 174.45 1qry h SER 47 N 0.00 0.53 0.00 5.36 4.64 -0.36 -3.20 113.55 120.51 1qry h SER 47 Ca 0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 1qry h SER 47 Cb 1.44 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1qry h SER 47 CO 0.00 1.80 0.00 0.18 -0.87 0.00 0.00 176.83 177.94 1qry n LEU 48 N -3.60 0.00 -1.54 5.97 7.99 1.32 -4.37 117.00 122.77 1qry n LEU 48 Ca -0.27 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 55.78 1qry n LEU 48 Cb 1.05 0.00 0.30 0.00 -0.11 0.00 0.00 43.42 44.66 1qry n LEU 48 CO 0.47 0.00 0.72 2.30 -1.51 0.00 0.00 177.39 179.37 1qry n ILE 49 N 0.00 2.06 -2.04 -0.08 -0.00 -1.13 -4.92 119.36 113.25 1qry n ILE 49 Ca 0.00 -1.05 0.00 0.00 -0.00 0.00 0.00 62.75 61.70 1qry n ILE 49 Cb 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 39.64 39.31 1qry n ILE 49 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1qry n ARG 50 N 0.48 -2.43 0.00 6.28 1.74 -1.21 -4.68 116.66 116.84 1qry n ARG 50 Ca 0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1qry n ARG 50 Cb 0.96 -4.10 0.00 0.00 -1.02 0.00 0.00 32.46 28.30 1qry n ARG 50 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1qry n LEU 51 N -2.02 0.49 -1.55 0.55 7.99 -1.26 -4.83 117.00 116.37 1qry n LEU 51 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 56.01 55.75 1qry n LEU 51 Cb 0.36 -0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 1qry n LEU 51 CO 0.00 0.08 -0.24 0.35 -1.51 0.00 0.00 177.39 176.08 1qry n THR 52 N 0.87 -2.80 0.00 -5.08 -2.24 -1.26 -2.12 114.28 101.65 1qry n THR 52 Ca 0.00 1.29 0.00 0.00 -2.27 0.00 0.00 64.05 63.07 1qry n THR 52 Cb 0.08 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.60 1qry n THR 52 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1qry n PRO 53 N -0.13 0.00 -0.30 -0.78 -0.04 -1.26 0.13 135.00 132.62 1qry n PRO 53 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1qry n PRO 53 Cb 0.00 -0.31 0.05 0.00 -0.04 0.00 0.00 33.50 33.20 1qry n PRO 53 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1qry n THR 54 N 0.00 -0.40 -0.27 0.52 -1.04 -1.26 0.30 114.28 112.13 1qry n THR 54 Ca 0.00 1.85 0.01 0.00 -2.04 0.00 0.00 64.05 63.87 1qry n THR 54 Cb 0.00 -2.46 0.08 0.00 -1.82 0.00 0.00 70.33 66.13 1qry n THR 54 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1qry h GLN 55 N 0.00 -0.01 -0.29 -2.82 5.75 -1.69 0.64 115.11 116.69 1qry h GLN 55 Ca 0.30 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.86 1qry h GLN 55 Cb 0.49 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.98 1qry h GLN 55 CO -0.79 -0.01 -0.12 0.28 -2.65 0.00 0.00 178.83 175.54 1qry h VAL 56 N -0.01 0.60 -0.37 2.39 2.07 1.30 0.21 116.25 122.44 1qry h VAL 56 Ca 0.36 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.87 1qry h VAL 56 Cb 0.56 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1qry h VAL 56 CO -0.79 0.00 0.19 0.50 0.02 0.00 0.00 177.57 177.50 1qry h LYS 57 N -0.07 0.53 -0.78 1.57 3.64 0.62 -2.14 116.57 119.94 1qry h LYS 57 Ca 0.15 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1qry h LYS 57 Cb 0.30 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1qry h LYS 57 CO -0.34 0.45 0.51 0.82 -2.27 0.00 0.00 179.45 178.62 1qry h ILE 58 N 0.47 1.15 0.24 2.00 1.08 0.84 -2.35 117.51 120.94 1qry h ILE 58 Ca 0.13 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1qry h ILE 58 Cb 0.08 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.88 1qry h ILE 58 CO -0.02 0.18 -0.27 -0.25 -0.69 0.00 0.00 178.15 177.10 1qry h TRP 59 N 0.99 -0.71 -0.77 1.37 7.01 0.03 -2.48 115.95 121.38 1qry h TRP 59 Ca 0.30 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.41 1qry h TRP 59 Cb -0.01 0.28 -0.11 0.00 -2.10 0.00 0.00 29.16 27.22 1qry h TRP 59 CO -0.00 -0.39 -0.36 1.19 -2.79 0.00 0.00 178.44 176.10 1qry n PHE 60 N -5.39 -0.11 -0.28 2.65 3.72 -0.89 0.15 117.46 117.32 1qry n PHE 60 Ca -0.08 0.95 0.04 0.00 -0.05 0.00 0.00 57.45 58.31 1qry n PHE 60 Cb 0.29 -0.71 0.10 0.00 -0.94 0.00 0.00 39.48 38.23 1qry n PHE 60 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1qry n GLN 61 N -5.07 -0.08 0.21 -1.08 7.27 -0.93 0.43 117.38 118.13 1qry n GLN 61 Ca 0.06 1.22 -0.15 0.00 0.07 0.00 0.00 57.00 58.19 1qry n GLN 61 Cb 0.27 -1.82 -0.07 0.00 2.41 0.00 0.00 30.24 31.03 1qry n GLN 61 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 1qry h ASN 62 N 0.00 -0.78 -0.19 1.69 -1.24 0.14 -2.71 115.58 112.49 1qry h ASN 62 Ca 0.37 0.06 -0.14 0.00 0.71 0.00 0.00 56.30 57.30 1qry h ASN 62 Cb 0.56 0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.87 1qry h ASN 62 CO -0.80 -0.43 -0.43 0.45 -1.29 0.00 0.00 177.43 174.93 1qry h HIS 63 N -0.65 0.80 -0.78 0.67 3.86 0.84 -3.11 115.15 116.78 1qry h HIS 63 Ca -0.02 -0.30 0.14 0.00 -1.16 0.00 0.00 60.37 59.03 1qry h HIS 63 Cb 0.57 -0.14 -0.14 0.00 1.06 0.00 0.00 27.41 28.77 1qry h HIS 63 CO -0.16 1.06 -0.25 -2.13 0.86 0.00 0.00 177.93 177.31 1qry n ARG 64 N -4.22 -0.13 -0.10 2.45 0.00 1.49 0.41 116.66 116.55 1qry n ARG 64 Ca -0.06 1.20 -0.12 0.00 -0.00 0.00 0.00 57.85 58.87 1qry n ARG 64 Cb 0.55 -1.79 -0.04 0.00 0.00 0.00 0.00 32.46 31.19 1qry n ARG 64 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1qry h TYR 65 N 0.00 0.70 0.15 -0.14 5.03 -1.49 -3.29 116.97 117.93 1qry h TYR 65 Ca 0.32 -0.17 -0.22 0.00 2.58 0.00 0.00 58.73 61.23 1qry h TYR 65 Cb 0.51 -0.16 0.03 0.00 1.55 0.00 0.00 36.73 38.65 1qry h TYR 65 CO -0.64 0.84 -0.97 0.87 -1.32 0.00 0.00 178.16 176.94 1qry h LYS 66 N 0.36 0.40 0.00 1.82 1.57 0.80 -3.13 116.57 118.40 1qry h LYS 66 Ca 0.07 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1qry h LYS 66 Cb 0.65 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1qry h LYS 66 CO 0.04 1.28 0.69 1.79 -0.57 0.00 0.00 179.45 182.68 1qry h THR 67 N -0.17 0.00 0.11 -0.16 1.35 0.80 3.11 112.91 117.95 1qry h THR 67 Ca -0.16 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.37 1qry h THR 67 Cb 1.74 0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.22 1qry h THR 67 CO 0.18 0.00 -1.71 0.11 -0.25 0.00 0.00 175.52 173.85 1qry h LYS 68 N 0.00 0.23 -0.00 4.72 1.57 -1.62 -3.33 116.57 118.14 1qry h LYS 68 Ca 0.00 -0.39 -0.16 0.00 -1.87 0.00 0.00 60.65 58.23 1qry h LYS 68 Cb 1.38 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 1qry h LYS 68 CO 0.00 1.06 -0.77 0.00 -0.57 0.00 0.00 179.45 179.17 1qry h ARG 69 N 0.06 0.02 0.02 3.15 3.08 0.55 -3.26 114.38 118.01 1qry h ARG 69 Ca -0.31 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.74 1qry h ARG 69 Cb 2.03 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 32.06 1qry h ARG 69 CO 0.13 0.78 -0.13 0.00 -1.07 0.00 0.00 179.97 179.68 1qry h ALA 70 N 1.21 -0.16 -1.57 0.04 0.00 -1.27 -0.80 119.26 116.71 1qry h ALA 70 Ca -0.01 0.00 0.47 0.00 0.00 0.00 0.00 54.91 55.37 1qry h ALA 70 Cb 1.36 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 19.29 1qry h ALA 70 CO 0.10 -0.63 1.11 1.04 0.00 0.00 0.00 179.25 180.87 1qry n GLN 71 N -5.26 -0.01 0.05 0.00 6.02 -1.23 0.32 117.38 117.28 1qry n GLN 71 Ca -0.06 0.95 -0.17 0.00 -0.01 0.00 0.00 57.00 57.71 1qry n GLN 71 Cb 0.18 -2.11 -0.08 0.00 1.02 0.00 0.00 30.24 29.25 1qry n GLN 71 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1qry h ASN 72 N 0.00 0.73 -0.30 1.08 -0.00 -1.32 -2.83 115.58 112.94 1qry h ASN 72 Ca 0.79 -0.58 -0.10 0.00 -0.00 0.00 0.00 56.30 56.40 1qry h ASN 72 Cb 3.04 -0.22 -0.06 0.00 -0.00 0.00 0.00 38.32 41.07 1qry h ASN 72 CO -0.09 1.38 0.13 -0.62 -0.00 0.00 0.00 177.43 178.23 1qry n GLU 73 N -3.80 1.93 0.00 6.67 -0.58 0.96 -4.78 120.64 121.04 1qry n GLU 73 Ca -0.09 -1.15 0.00 0.00 -0.42 0.00 0.00 57.16 55.50 1qry n GLU 73 Cb 0.86 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 1qry n GLU 73 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1qry n LYS 74 N 0.05 0.71 0.00 3.49 3.00 -0.61 -5.04 118.16 119.75 1qry n LYS 74 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 1qry n LYS 74 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.82 1qry n LYS 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qry n GLY 75 N 1.03 4.60 2.57 3.14 0.00 -1.25 -5.02 105.19 110.26 1qry n GLY 75 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 1qry n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qry n TYR 76 N -1.63 1.63 0.00 1.61 4.01 -1.26 -4.88 117.16 116.64 1qry n TYR 76 Ca 0.00 -3.05 0.00 0.00 -0.16 0.00 0.00 57.90 54.69 1qry n TYR 76 Cb 0.00 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 1qry n TYR 76 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1qry n GLU 77 N -0.11 0.00 0.00 -0.72 0.28 -1.26 -4.73 120.64 114.10 1qry n GLU 77 Ca 0.18 0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 1qry n GLU 77 Cb 0.74 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 32.04 1qry n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qry n GLY 78 N -0.96 0.27 0.87 -1.84 0.00 -1.26 -4.59 105.19 97.68 1qry n GLY 78 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1qry n GLY 78 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qry n HIS 79 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -5.30 115.22 110.27 1qry n HIS 79 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1qry n HIS 79 Cb 0.00 -1.48 0.00 0.00 -0.12 0.00 0.00 29.99 28.39 1qry n HIS 79 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50