#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qry s SER 2 N 0.00 6.39 -0.24 1.61 0.15 -1.26 -4.78 113.70 115.57 1qry s SER 2 Ca 0.00 -1.33 0.10 0.00 0.70 0.00 0.00 55.95 55.42 1qry s SER 2 Cb 0.00 -2.48 0.45 0.00 -1.71 0.00 0.00 66.02 62.29 1qry s SER 2 CO 0.00 -1.42 1.32 1.57 1.20 0.00 0.00 173.24 175.91 1qry n HIS 3 N 7.96 0.45 -3.81 3.44 -0.00 -1.26 -4.94 115.22 117.05 1qry n HIS 3 Ca 0.15 -1.52 -0.27 0.00 -0.00 0.00 0.00 57.72 56.09 1qry n HIS 3 Cb 0.49 -0.34 -0.17 0.00 -0.00 0.00 0.00 29.99 29.96 1qry n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1qry s MET 4 N -3.23 0.98 -0.27 1.57 0.00 -1.26 -5.10 119.30 112.00 1qry s MET 4 Ca 0.40 -0.38 -0.29 0.00 0.00 0.00 0.00 55.69 55.43 1qry s MET 4 Cb 0.38 -1.86 0.00 0.00 0.00 0.00 0.00 34.83 33.35 1qry s MET 4 CO -0.04 -0.49 1.18 -1.54 0.00 0.00 0.00 175.02 174.13 1qry s SER 5 N 1.78 6.88 0.00 -1.18 1.04 -1.26 -4.87 113.70 116.09 1qry s SER 5 Ca 0.01 1.29 0.25 0.00 0.48 0.00 0.00 55.95 57.97 1qry s SER 5 Cb -0.15 -2.54 0.79 0.00 0.10 0.00 0.00 66.02 64.21 1qry s SER 5 CO -0.07 -0.88 1.59 0.47 0.98 0.00 0.00 173.24 175.32 1qry n ASP 6 N 6.95 1.92 -4.56 7.02 9.92 -1.26 -4.75 116.55 131.79 1qry n ASP 6 Ca 0.13 -1.68 -0.41 0.00 -0.53 0.00 0.00 54.79 52.31 1qry n ASP 6 Cb 0.46 -0.05 -0.03 0.00 -0.64 0.00 0.00 41.12 40.86 1qry n ASP 6 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1qry s GLY 7 N -1.82 1.12 -0.01 0.44 0.00 -1.26 -4.76 107.32 101.03 1qry s GLY 7 Ca 0.35 -1.93 0.10 0.00 0.00 0.00 0.00 44.72 43.24 1qry s GLY 7 CO 0.31 2.67 0.79 1.41 0.00 0.00 0.00 173.10 178.28 1qry h LEU 8 N 12.88 0.02 -0.67 0.66 3.38 -1.98 -3.31 115.31 126.28 1qry h LEU 8 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1qry h LEU 8 Cb 1.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1qry h LEU 8 CO 1.37 1.04 0.00 -0.65 0.09 0.00 0.00 178.44 180.29 1qry h PRO 9 N 0.00 0.00 0.00 1.13 0.11 -1.97 -2.95 132.00 128.32 1qry h PRO 9 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1qry h PRO 9 Cb 1.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.07 1qry h PRO 9 CO 0.09 0.00 0.01 0.09 -0.21 0.00 0.00 178.00 177.98 1qry n ASN 10 N -3.02 0.19 -4.96 -2.05 3.02 -1.25 -4.58 115.26 102.61 1qry n ASN 10 Ca 0.02 0.58 -0.22 0.00 -0.03 0.00 0.00 54.58 54.94 1qry n ASN 10 Cb 0.41 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 1qry n ASN 10 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1qry s LYS 11 N -3.18 3.45 0.00 3.52 -0.14 -1.12 -5.11 119.74 117.17 1qry s LYS 11 Ca -0.01 -0.68 0.00 0.00 -1.36 0.00 0.00 55.97 53.92 1qry s LYS 11 Cb 0.02 -2.85 0.00 0.00 -1.68 0.00 0.00 37.83 33.32 1qry s LYS 11 CO 0.07 0.39 0.00 1.17 -0.76 0.00 0.00 175.35 176.21 1qry n LYS 12 N -1.44 0.42 -1.51 1.68 3.00 -1.26 -4.93 118.16 114.12 1qry n LYS 12 Ca -0.08 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.87 1qry n LYS 12 Cb 0.57 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.66 1qry n LYS 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1qry n ARG 13 N -0.51 2.76 -3.58 1.64 5.12 -1.26 -4.92 116.66 115.90 1qry n ARG 13 Ca 0.00 -3.40 -0.13 0.00 -1.93 0.00 0.00 57.85 52.39 1qry n ARG 13 Cb 0.00 -2.28 -0.06 0.00 -1.16 0.00 0.00 32.46 28.95 1qry n ARG 13 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1qry s LYS 14 N -3.87 0.76 0.00 5.56 0.00 -1.26 -5.14 119.74 115.79 1qry s LYS 14 Ca 0.61 0.43 0.00 0.00 0.00 0.00 0.00 55.97 57.01 1qry s LYS 14 Cb 0.49 0.36 0.00 0.00 0.00 0.00 0.00 37.83 38.68 1qry s LYS 14 CO -0.10 -0.19 0.00 -2.13 0.00 0.00 0.00 175.35 172.94 1qry n ARG 15 N 1.46 0.00 -0.81 1.78 0.00 -1.26 -5.14 116.66 112.69 1qry n ARG 15 Ca -0.14 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.39 1qry n ARG 15 Cb 0.57 0.00 0.09 0.00 0.00 0.00 0.00 32.46 33.12 1qry n ARG 15 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1qry n ARG 16 N 0.00 -0.84 -3.53 -0.14 1.85 -1.26 -5.02 116.66 107.73 1qry n ARG 16 Ca 0.00 -0.24 -0.17 0.00 -1.00 0.00 0.00 57.85 56.44 1qry n ARG 16 Cb 0.00 -1.30 -0.06 0.00 -1.05 0.00 0.00 32.46 30.05 1qry n ARG 16 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1qry s VAL 17 N -2.09 0.01 0.00 8.89 1.01 -1.26 -5.17 120.40 121.78 1qry s VAL 17 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1qry s VAL 17 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1qry s VAL 17 CO 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.65 1qry n LEU 18 N 0.72 0.00 -3.80 3.92 -0.00 -1.26 -5.18 117.00 111.40 1qry n LEU 18 Ca -0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.70 1qry n LEU 18 Cb 0.58 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.90 1qry n LEU 18 CO 0.22 0.00 -0.06 -0.36 -0.00 0.00 0.00 177.39 177.19 1qry s PHE 19 N -0.69 -0.17 0.13 1.47 0.08 -1.26 -5.09 117.98 112.45 1qry s PHE 19 Ca 0.00 0.33 -0.33 0.00 0.12 0.00 0.00 56.93 57.05 1qry s PHE 19 Cb 0.00 0.06 -0.13 0.00 -0.57 0.00 0.00 43.02 42.38 1qry s PHE 19 CO 0.00 -0.27 1.69 0.25 -0.10 0.00 0.00 175.22 176.78 1qry n THR 20 N 1.92 0.14 0.22 0.64 -2.24 -1.26 -4.69 114.28 109.01 1qry n THR 20 Ca -0.19 -0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.60 1qry n THR 20 Cb 0.57 -1.75 0.14 0.00 -2.10 0.00 0.00 70.33 67.19 1qry n THR 20 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qry h LYS 21 N 6.92 0.00 0.09 -0.78 1.57 -1.99 0.38 116.57 122.75 1qry h LYS 21 Ca -0.45 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1qry h LYS 21 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1qry h LYS 21 CO 0.92 0.00 -0.04 0.00 -0.57 0.00 0.00 179.45 179.76 1qry h ALA 22 N 0.35 -0.34 -3.00 3.86 0.00 -1.98 -2.01 119.26 116.13 1qry h ALA 22 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qry h ALA 22 Cb 1.38 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1qry h ALA 22 CO 0.00 -0.33 0.00 1.04 0.00 0.00 0.00 179.25 179.96 1qry n GLN 23 N -2.84 0.00 -0.33 0.00 6.02 0.13 0.13 117.38 120.49 1qry n GLN 23 Ca -0.01 0.46 0.28 0.00 -0.01 0.00 0.00 57.00 57.72 1qry n GLN 23 Cb 0.05 -0.98 0.47 0.00 1.02 0.00 0.00 30.24 30.80 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 -0.94 -0.16 0.00 5.09 -1.04 -1.09 0.85 114.28 116.99 1qry n THR 24 Ca 0.00 1.21 0.00 0.00 -2.04 0.00 0.00 64.05 63.22 1qry n THR 24 Cb 0.00 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 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 -3.99 0.00 -0.19 -1.42 9.36 0.35 0.15 117.16 121.42 1qry n TYR 25 Ca 0.28 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.43 1qry n TYR 25 Cb 1.09 -0.19 -0.00 0.00 -0.63 0.00 0.00 39.34 39.61 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 -0.18 -0.86 2.98 4.39 0.30 2.31 114.58 123.52 1qry h GLU 26 Ca 0.00 0.01 0.25 0.00 0.34 0.00 0.00 59.36 59.96 1qry h GLU 26 Cb 0.00 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1qry h GLU 26 CO 0.00 -0.12 0.72 1.25 -1.16 0.00 0.00 179.01 179.70 1qry h LEU 27 N -0.19 0.00 0.05 1.33 5.85 0.42 1.49 115.31 124.25 1qry h LEU 27 Ca 0.21 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.66 1qry h LEU 27 Cb 0.55 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1qry h LEU 27 CO -0.66 0.00 -1.39 -0.33 -0.34 0.00 0.00 178.44 175.72 1qry h GLU 28 N 0.00 0.10 -0.72 1.25 4.39 1.26 -3.30 114.58 117.56 1qry h GLU 28 Ca 0.41 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 1qry h GLU 28 Cb 1.85 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 30.53 1qry h GLU 28 CO -0.00 0.92 0.35 0.00 -1.16 0.00 0.00 179.01 179.11 1qry h ARG 29 N 0.03 1.03 -0.72 2.33 3.08 0.72 -2.42 114.38 118.43 1qry h ARG 29 Ca -0.17 -0.15 0.15 0.00 0.07 0.00 0.00 59.98 59.88 1qry h ARG 29 Cb 1.93 -0.19 -0.11 0.00 0.08 0.00 0.00 29.97 31.69 1qry h ARG 29 CO 0.13 0.81 0.17 -0.09 -1.07 0.00 0.00 179.97 179.91 1qry h ARG 30 N 1.00 0.26 -0.06 0.04 1.12 -1.03 0.77 114.38 116.49 1qry h ARG 30 Ca 0.25 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 59.12 1qry h ARG 30 Cb 0.11 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.01 1qry h ARG 30 CO -0.03 0.17 0.53 0.35 -3.11 0.00 0.00 179.97 177.88 1qry h PHE 31 N 0.27 0.00 0.00 2.20 3.04 -1.46 0.28 116.94 121.27 1qry h PHE 31 Ca 0.40 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.35 1qry h PHE 31 Cb 0.67 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1qry h PHE 31 CO -0.26 0.00 -0.07 0.00 -2.02 0.00 0.00 178.31 175.96 1qry h ARG 32 N 0.00 0.00 0.00 1.11 3.08 0.47 -3.32 114.38 115.73 1qry h ARG 32 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1qry h ARG 32 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1qry h ARG 32 CO -0.00 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.94 1qry n GLN 33 N -3.14 0.03 -3.65 0.04 1.13 -0.88 -4.48 117.38 106.43 1qry n GLN 33 Ca -0.01 0.25 -0.10 0.00 -1.94 0.00 0.00 57.00 55.20 1qry n GLN 33 Cb 0.04 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.81 1qry n GLN 33 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1qry s GLN 34 N -2.54 0.67 0.00 -1.09 2.00 0.94 -5.01 119.66 114.63 1qry s GLN 34 Ca 0.02 1.05 0.08 0.00 -2.00 0.00 0.00 55.36 54.51 1qry s GLN 34 Cb 0.02 0.19 0.04 0.00 0.80 0.00 0.00 33.01 34.06 1qry s GLN 34 CO 0.03 -0.13 0.69 -2.13 -0.50 0.00 0.00 175.29 173.26 1qry n ARG 35 N 3.78 0.96 -2.66 1.67 0.63 -1.25 -3.49 116.66 116.30 1qry n ARG 35 Ca -0.18 -0.83 -0.09 0.00 -0.92 0.00 0.00 57.85 55.82 1qry n ARG 35 Cb 0.57 -1.11 0.03 0.00 0.45 0.00 0.00 32.46 32.40 1qry n ARG 35 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 1qry n TYR 36 N 0.19 1.22 -1.06 -0.14 0.18 -1.26 -5.09 117.16 111.20 1qry n TYR 36 Ca 0.04 -2.78 -0.36 0.00 1.88 0.00 0.00 57.90 56.68 1qry n TYR 36 Cb 0.20 -0.37 -0.02 0.00 -0.38 0.00 0.00 39.34 38.77 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 -0.09 -1.00 0.00 -3.48 4.32 -1.26 -4.95 117.00 110.54 1qry n LEU 37 Ca 0.10 0.85 0.00 0.00 -0.02 0.00 0.00 56.01 56.94 1qry n LEU 37 Cb 0.82 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1qry n LEU 37 CO 0.27 -2.31 0.00 -1.20 -1.22 0.00 0.00 177.39 172.92 1qry n SER 38 N 1.53 0.00 0.00 -1.43 7.64 -1.26 -4.83 113.62 115.28 1qry n SER 38 Ca 0.13 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.93 1qry n SER 38 Cb 0.19 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.26 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qry h ALA 39 N 1.00 0.64 0.00 -0.43 0.00 -1.99 -3.14 119.26 115.33 1qry h ALA 39 Ca 0.00 -1.30 -0.16 0.00 0.00 0.00 0.00 54.91 53.45 1qry h ALA 39 Cb 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1qry h ALA 39 CO 0.00 1.48 -1.87 -0.35 0.00 0.00 0.00 179.25 178.51 1qry n PRO 40 N -3.15 0.65 -0.00 0.00 -0.04 -1.26 -3.91 135.00 127.29 1qry n PRO 40 Ca -0.12 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.17 1qry n PRO 40 Cb 1.02 -1.63 -0.13 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.19 0.06 0.54 3.07 -1.93 -3.29 114.58 113.21 1qry h GLU 41 Ca -0.21 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1qry h GLU 41 Cb 1.53 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.53 1qry h GLU 41 CO 0.02 1.10 -0.14 0.00 -1.40 0.00 0.00 179.01 178.59 1qry h ARG 42 N -0.59 -0.21 -0.28 2.33 3.08 -1.75 -2.68 114.38 114.27 1qry h ARG 42 Ca -0.07 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1qry h ARG 42 Cb 1.31 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 1qry h ARG 42 CO 0.08 -0.14 -0.17 0.39 -1.07 0.00 0.00 179.97 179.06 1qry n GLU 43 N -3.24 -0.13 -0.18 0.04 -0.58 -1.25 0.27 120.64 115.58 1qry n GLU 43 Ca -0.03 0.49 0.09 0.00 -0.42 0.00 0.00 57.16 57.30 1qry n GLU 43 Cb 0.12 -0.73 0.18 0.00 -0.57 0.00 0.00 31.44 30.44 1qry n GLU 43 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1qry n HIS 44 N -4.05 0.38 0.19 -0.32 8.25 -1.01 0.31 115.22 118.97 1qry n HIS 44 Ca 0.01 0.63 -0.13 0.00 -0.26 0.00 0.00 57.72 57.97 1qry n HIS 44 Cb 0.07 -0.92 -0.07 0.00 1.12 0.00 0.00 29.99 30.19 1qry n HIS 44 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1qry h LEU 45 N 0.00 -0.44 -0.40 2.41 5.85 0.38 -2.70 115.31 120.41 1qry h LEU 45 Ca 0.34 -0.13 0.12 0.00 0.84 0.00 0.00 57.88 59.04 1qry h LEU 45 Cb 0.74 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1qry h LEU 45 CO -0.48 -0.04 0.92 0.35 -0.34 0.00 0.00 178.44 178.86 1qry n THR 46 N -5.16 0.00 0.13 1.05 -2.24 0.90 0.60 114.28 109.57 1qry n THR 46 Ca -0.09 0.94 -0.24 0.00 -2.27 0.00 0.00 64.05 62.38 1qry n THR 46 Cb 0.28 -1.77 -0.16 0.00 -2.10 0.00 0.00 70.33 66.58 1qry n THR 46 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1qry h SER 47 N 0.00 0.80 0.00 3.42 4.64 -0.95 -2.89 113.55 118.56 1qry h SER 47 Ca 0.19 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.58 1qry h SER 47 Cb 2.04 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 1qry h SER 47 CO -0.00 1.67 0.00 0.18 -0.87 0.00 0.00 176.83 177.81 1qry n LEU 48 N -3.78 0.00 -2.18 5.97 7.99 2.58 -4.35 117.00 123.23 1qry n LEU 48 Ca -0.17 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.59 1qry n LEU 48 Cb 1.07 0.00 0.15 0.00 -0.11 0.00 0.00 43.42 44.53 1qry n LEU 48 CO 0.59 0.00 1.28 2.30 -1.51 0.00 0.00 177.39 180.05 1qry n ILE 49 N 0.00 3.16 -0.11 -0.08 -0.00 -1.10 -4.91 119.36 116.33 1qry n ILE 49 Ca 0.00 -1.99 0.00 0.00 -0.00 0.00 0.00 62.75 60.76 1qry n ILE 49 Cb 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 39.64 39.01 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 -1.00 0.00 -1.52 6.28 1.74 -1.09 -4.76 116.66 116.31 1qry n ARG 50 Ca 0.57 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 57.34 1qry n ARG 50 Cb 1.43 -1.75 -0.14 0.00 -1.02 0.00 0.00 32.46 30.99 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 0.00 0.41 -3.39 0.55 7.99 -1.26 -4.63 117.00 116.66 1qry n LEU 51 Ca 0.00 -0.39 -0.45 0.00 -0.01 0.00 0.00 56.01 55.16 1qry n LEU 51 Cb 0.00 -1.05 -0.06 0.00 -0.11 0.00 0.00 43.42 42.20 1qry n LEU 51 CO 0.00 -1.36 0.45 0.35 -1.51 0.00 0.00 177.39 175.32 1qry n THR 52 N 7.23 0.00 0.00 -5.08 -2.24 -1.26 -3.93 114.28 109.00 1qry n THR 52 Ca 0.58 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 1qry n THR 52 Cb 0.22 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1qry n THR 52 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1qry n PRO 53 N 1.22 0.00 -0.28 -0.78 -0.02 -1.26 0.85 135.00 134.73 1qry n PRO 53 Ca 0.15 0.07 -0.08 0.00 -2.02 0.00 0.00 63.50 61.62 1qry n PRO 53 Cb 0.06 -0.16 -0.04 0.00 -0.02 0.00 0.00 33.50 33.33 1qry n PRO 53 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1qry h THR 54 N 0.00 0.04 -1.28 3.45 2.02 -1.92 1.75 112.91 116.98 1qry h THR 54 Ca 0.00 0.00 0.40 0.00 0.77 0.00 0.00 66.41 67.58 1qry h THR 54 Cb 0.00 0.04 -0.12 0.00 -1.74 0.00 0.00 68.15 66.33 1qry h THR 54 CO 0.00 0.00 0.83 1.56 0.37 0.00 0.00 175.52 178.28 1qry h GLN 55 N -0.15 0.13 0.27 6.66 1.08 0.18 1.09 115.11 124.38 1qry h GLN 55 Ca 0.20 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 1qry h GLN 55 Cb 0.54 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1qry h GLN 55 CO -0.79 0.09 -0.13 0.28 -0.95 0.00 0.00 178.83 177.33 1qry h VAL 56 N 0.14 0.73 -0.75 -0.54 2.07 0.60 -1.07 116.25 117.43 1qry h VAL 56 Ca 0.77 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 68.24 1qry h VAL 56 Cb 2.40 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 1qry h VAL 56 CO -0.38 0.00 0.32 0.50 0.02 0.00 0.00 177.57 178.03 1qry h LYS 57 N -0.37 1.12 -0.36 1.57 3.64 0.14 -1.68 116.57 120.63 1qry h LYS 57 Ca -0.04 -0.19 0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1qry h LYS 57 Cb 0.29 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1qry h LYS 57 CO 0.06 0.90 0.25 0.82 -2.27 0.00 0.00 179.45 179.21 1qry h ILE 58 N 1.08 0.92 -0.00 2.00 1.08 -0.15 -1.91 117.51 120.53 1qry h ILE 58 Ca 0.25 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1qry h ILE 58 Cb 0.19 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 1qry h ILE 58 CO -0.02 0.04 -0.00 -0.25 -0.69 0.00 0.00 178.15 177.22 1qry h TRP 59 N 0.20 0.00 -0.87 1.37 7.01 -0.30 -3.21 115.95 120.16 1qry h TRP 59 Ca 0.16 -0.00 0.21 0.00 2.11 0.00 0.00 58.89 61.37 1qry h TRP 59 Cb 0.38 -0.00 -0.16 0.00 -2.10 0.00 0.00 29.16 27.28 1qry h TRP 59 CO -0.00 0.67 -0.05 0.74 -2.79 0.00 0.00 178.44 177.01 1qry h PHE 60 N -0.67 -0.16 -0.52 2.65 -1.00 -0.78 0.93 116.94 117.40 1qry h PHE 60 Ca -0.00 0.07 0.08 0.00 2.81 0.00 0.00 57.97 60.92 1qry h PHE 60 Cb 0.67 0.21 -0.10 0.00 3.61 0.00 0.00 35.95 40.35 1qry h PHE 60 CO 0.16 -0.34 -0.46 0.37 -1.61 0.00 0.00 178.31 176.43 1qry h GLN 61 N 0.05 -0.27 -0.71 1.51 4.15 -1.45 3.45 115.11 121.84 1qry h GLN 61 Ca 0.48 0.02 0.12 0.00 0.77 0.00 0.00 58.65 60.04 1qry h GLN 61 Cb 0.87 0.06 -0.09 0.00 0.21 0.00 0.00 27.48 28.54 1qry h GLN 61 CO -0.82 -0.18 0.29 -0.91 -1.93 0.00 0.00 178.83 175.28 1qry h ASN 62 N -0.28 0.29 0.04 -0.69 2.35 -0.90 -2.53 115.58 113.86 1qry h ASN 62 Ca 0.15 0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 1qry h ASN 62 Cb 0.57 0.06 0.01 0.00 0.05 0.00 0.00 38.32 39.02 1qry h ASN 62 CO -0.65 0.14 -0.40 0.45 -1.65 0.00 0.00 177.43 175.32 1qry h HIS 63 N 0.46 0.33 -0.72 1.19 3.86 -0.39 -3.15 115.15 116.72 1qry h HIS 63 Ca 0.37 -0.21 0.12 0.00 -1.16 0.00 0.00 60.37 59.49 1qry h HIS 63 Cb 0.52 -0.03 -0.12 0.00 1.06 0.00 0.00 27.41 28.84 1qry h HIS 63 CO -0.16 1.08 -0.27 -2.13 0.86 0.00 0.00 177.93 177.30 1qry n ARG 64 N -4.39 -0.16 -0.13 2.45 3.00 1.12 0.43 116.66 118.99 1qry n ARG 64 Ca -0.11 1.12 -0.11 0.00 -0.00 0.00 0.00 57.85 58.75 1qry n ARG 64 Cb 0.61 -1.66 -0.02 0.00 0.00 0.00 0.00 32.46 31.38 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 0.75 0.13 -0.14 3.20 -1.61 -3.26 116.97 116.04 1qry h TYR 65 Ca 0.26 -0.15 -0.21 0.00 3.14 0.00 0.00 58.73 61.77 1qry h TYR 65 Cb 0.44 -0.19 0.02 0.00 1.54 0.00 0.00 36.73 38.55 1qry h TYR 65 CO -0.63 0.81 -0.92 -0.22 -1.64 0.00 0.00 178.16 175.56 1qry h LYS 66 N 0.49 0.39 0.00 1.82 3.64 0.13 -3.11 116.57 119.92 1qry h LYS 66 Ca 0.10 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1qry h LYS 66 Cb 0.53 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1qry h LYS 66 CO 0.03 1.26 0.67 1.79 -2.27 0.00 0.00 179.45 180.93 1qry h THR 67 N -0.17 0.00 0.11 1.00 1.35 0.89 3.41 112.91 119.50 1qry h THR 67 Ca -0.15 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.39 1qry h THR 67 Cb 1.68 0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.17 1qry h THR 67 CO 0.17 0.00 -1.70 0.11 -0.25 0.00 0.00 175.52 173.85 1qry h LYS 68 N 0.00 0.23 -0.44 4.72 1.57 -1.59 -3.30 116.57 117.75 1qry h LYS 68 Ca 0.00 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 58.30 1qry h LYS 68 Cb 1.34 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.77 1qry h LYS 68 CO 0.00 1.05 -0.12 0.00 -0.57 0.00 0.00 179.45 179.82 1qry h ARG 69 N 0.06 0.80 0.06 3.15 2.47 0.62 -2.75 114.38 118.79 1qry h ARG 69 Ca -0.31 -0.27 0.02 0.00 -1.26 0.00 0.00 59.98 58.16 1qry h ARG 69 Cb 2.03 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 30.25 1qry h ARG 69 CO 0.13 0.88 -0.25 0.00 0.56 0.00 0.00 179.97 181.30 1qry h ALA 70 N 1.14 -0.37 -0.99 0.04 0.00 -1.46 -0.07 119.26 117.54 1qry h ALA 70 Ca 0.12 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1qry h ALA 70 Cb 0.61 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1qry h ALA 70 CO 0.04 -0.77 0.63 1.96 0.00 0.00 0.00 179.25 181.11 1qry h GLN 71 N -0.42 0.94 -0.23 0.00 1.08 -1.60 0.36 115.11 115.24 1qry h GLN 71 Ca 0.05 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 1qry h GLN 71 Cb 0.47 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1qry h GLN 71 CO -0.18 0.62 -0.06 -0.97 -0.95 0.00 0.00 178.83 177.29 1qry h ASN 72 N 0.97 0.33 0.00 1.46 -1.24 -0.91 -3.36 115.58 112.83 1qry h ASN 72 Ca 0.49 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.43 1qry h ASN 72 Cb 0.50 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.46 1qry h ASN 72 CO -0.25 0.44 0.00 -0.62 -1.29 0.00 0.00 177.43 175.71 1qry n GLU 73 N -4.29 0.00 0.00 6.67 1.02 0.46 -4.94 120.64 119.56 1qry n GLU 73 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1qry n GLU 73 Cb 0.25 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.54 1qry n GLU 73 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1qry n LYS 74 N -0.36 0.00 0.00 3.49 4.01 0.98 -4.78 118.16 121.49 1qry n LYS 74 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1qry n LYS 74 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1qry n LYS 74 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1qry n GLY 75 N 0.00 0.06 0.13 0.72 0.00 -1.26 -3.76 105.19 101.08 1qry n GLY 75 Ca 0.00 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.38 1qry n GLY 75 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1qry h TYR 76 N 0.00 0.00 -3.10 1.61 3.20 -2.02 -3.50 116.97 113.16 1qry h TYR 76 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1qry h TYR 76 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1qry h TYR 76 CO 0.00 0.00 -0.58 -1.91 -1.64 0.00 0.00 178.16 174.03 1qry n GLU 77 N -2.70 -3.38 0.00 1.82 4.07 -1.25 -4.97 120.64 114.23 1qry n GLU 77 Ca 0.01 2.60 0.00 0.00 -0.06 0.00 0.00 57.16 59.71 1qry n GLU 77 Cb 0.53 -2.64 0.00 0.00 -0.06 0.00 0.00 31.44 29.27 1qry n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1qry n GLY 78 N 1.15 1.00 3.15 8.31 0.00 -1.26 -4.99 105.19 112.55 1qry n GLY 78 Ca 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.41 1qry n GLY 78 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qry s HIS 79 N 0.00 -0.71 -2.92 1.61 2.46 -1.26 -5.29 115.29 109.19 1qry s HIS 79 Ca 0.00 0.46 0.25 0.00 0.47 0.00 0.00 55.06 56.23 1qry s HIS 79 Cb 0.00 0.14 0.33 0.00 -0.13 0.00 0.00 32.58 32.92 1qry s HIS 79 CO 0.00 -0.41 1.34 -0.35 -2.47 0.00 0.00 174.74 172.85