#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qry n SER 2 N 0.00 -5.72 -3.33 1.61 2.88 -1.26 -4.97 113.62 102.83 1qry n SER 2 Ca 0.00 -0.92 0.00 0.00 -1.33 0.00 0.00 58.87 56.62 1qry n SER 2 Cb 0.00 -3.83 0.00 0.00 -0.75 0.00 0.00 64.21 59.63 1qry n SER 2 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1qry n HIS 3 N -3.86 -1.17 0.13 0.66 -0.00 -1.26 -4.93 115.22 104.80 1qry n HIS 3 Ca -0.09 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.74 1qry n HIS 3 Cb 0.60 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.62 1qry n HIS 3 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.34 178.32 1qry h MET 4 N 0.00 0.00 0.00 1.57 1.85 -2.06 -3.47 114.93 112.82 1qry h MET 4 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1qry h MET 4 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1qry h MET 4 CO 0.00 0.04 0.00 0.45 -0.40 0.00 0.00 176.91 177.00 1qry n SER 5 N -2.82 0.00 0.20 1.39 2.88 -1.26 -5.07 113.62 108.95 1qry n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qry n SER 5 Cb 0.57 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1qry n SER 5 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1qry n ASP 6 N -1.48 -3.13 0.00 -3.46 -0.08 -1.26 -5.13 116.55 102.01 1qry n ASP 6 Ca 0.00 0.77 0.00 0.00 -1.51 0.00 0.00 54.79 54.05 1qry n ASP 6 Cb 0.00 2.98 0.00 0.00 2.34 0.00 0.00 41.12 46.44 1qry n ASP 6 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qry n GLY 7 N -0.80 1.31 3.00 0.27 0.00 -1.26 -4.90 105.19 102.81 1qry n GLY 7 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 1qry n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qry s LEU 8 N 0.00 3.68 -0.20 0.99 1.02 -1.26 -4.95 118.68 117.96 1qry s LEU 8 Ca 0.00 -1.67 -0.06 0.00 0.02 0.00 0.00 54.13 52.42 1qry s LEU 8 Cb 0.00 -1.45 -0.20 0.00 0.02 0.00 0.00 46.19 44.56 1qry s LEU 8 CO 0.00 -0.29 0.03 -0.81 0.02 0.00 0.00 176.35 175.30 1qry n PRO 9 N 4.44 0.68 -2.61 1.29 -0.04 -1.26 -4.82 135.00 132.68 1qry n PRO 9 Ca -0.06 0.25 -0.02 0.00 -0.04 0.00 0.00 63.50 63.64 1qry n PRO 9 Cb 0.42 -1.61 0.12 0.00 -0.04 0.00 0.00 33.50 32.39 1qry n PRO 9 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qry n ASN 10 N -3.59 -1.40 -0.01 3.54 4.13 -1.26 -4.94 115.26 111.73 1qry n ASN 10 Ca -0.40 -2.16 0.09 0.00 1.68 0.00 0.00 54.58 53.78 1qry n ASN 10 Cb 0.97 0.66 -0.13 0.00 -1.54 0.00 0.00 39.78 39.73 1qry n ASN 10 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1qry n LYS 11 N -1.48 0.52 -0.97 3.52 4.76 -1.26 -5.00 118.16 118.25 1qry n LYS 11 Ca -0.17 -0.16 -0.37 0.00 -2.87 0.00 0.00 58.31 54.75 1qry n LYS 11 Cb 0.86 -1.41 0.05 0.00 -1.84 0.00 0.00 35.03 32.69 1qry n LYS 11 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1qry n LYS 12 N -2.10 -0.09 -2.87 1.97 5.02 -1.26 -3.67 118.16 115.17 1qry n LYS 12 Ca -0.03 -0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.19 1qry n LYS 12 Cb 0.45 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1qry n LYS 12 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1qry n ARG 13 N 2.00 -0.41 0.05 1.97 0.63 -1.26 -4.84 116.66 114.80 1qry n ARG 13 Ca -0.01 0.73 -0.19 0.00 -0.92 0.00 0.00 57.85 57.46 1qry n ARG 13 Cb 0.62 -0.95 -0.10 0.00 0.45 0.00 0.00 32.46 32.48 1qry n ARG 13 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1qry h LYS 14 N 3.04 0.64 -6.14 -0.14 1.57 -1.98 -3.48 116.57 110.07 1qry h LYS 14 Ca -0.07 -0.70 -0.15 0.00 -1.87 0.00 0.00 60.65 57.86 1qry h LYS 14 Cb 0.91 0.20 0.01 0.00 0.08 0.00 0.00 32.23 33.43 1qry h LYS 14 CO 0.03 1.29 -1.02 -2.13 -0.57 0.00 0.00 179.45 177.05 1qry n ARG 15 N -3.82 -1.60 -2.81 3.15 0.63 -1.26 -4.96 116.66 105.99 1qry n ARG 15 Ca -0.10 1.46 -0.21 0.00 -0.92 0.00 0.00 57.85 58.08 1qry n ARG 15 Cb 0.89 -2.58 0.03 0.00 0.45 0.00 0.00 32.46 31.25 1qry n ARG 15 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1qry s ARG 16 N -1.85 2.74 0.01 -0.14 3.52 -1.26 -5.11 118.95 116.85 1qry s ARG 16 Ca 0.18 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 1qry s ARG 16 Cb -0.02 -2.55 -0.01 0.00 -1.56 0.00 0.00 34.95 30.81 1qry s ARG 16 CO 0.54 -0.52 -0.02 0.08 -0.81 0.00 0.00 175.30 174.57 1qry s VAL 17 N -2.64 0.13 0.00 7.11 1.01 -1.26 -5.02 120.40 119.73 1qry s VAL 17 Ca 0.54 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1qry s VAL 17 Cb -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1qry s VAL 17 CO 0.37 -0.13 0.08 0.00 0.00 0.00 0.00 175.10 175.43 1qry n LEU 18 N 2.60 0.00 -4.39 3.92 -0.00 -1.26 -5.09 117.00 112.77 1qry n LEU 18 Ca -0.16 -0.00 -0.49 0.00 -0.00 0.00 0.00 56.01 55.36 1qry n LEU 18 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.97 1qry n LEU 18 CO 0.24 0.01 0.03 0.49 -0.00 0.00 0.00 177.39 178.16 1qry n PHE 19 N 0.00 -0.42 -1.68 1.47 3.72 -1.26 -4.71 117.46 114.59 1qry n PHE 19 Ca 0.00 0.97 -0.47 0.00 -0.05 0.00 0.00 57.45 57.90 1qry n PHE 19 Cb 0.29 -1.96 -0.04 0.00 -0.94 0.00 0.00 39.48 36.82 1qry n PHE 19 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1qry n THR 20 N 0.10 0.39 0.16 4.37 -2.24 -1.26 -4.68 114.28 111.12 1qry n THR 20 Ca 0.18 -0.07 0.09 0.00 -2.27 0.00 0.00 64.05 61.98 1qry n THR 20 Cb 0.24 -1.77 0.17 0.00 -2.10 0.00 0.00 70.33 66.86 1qry n THR 20 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1qry h LYS 21 N 8.15 0.00 0.00 -0.78 3.64 -1.98 0.47 116.57 126.07 1qry h LYS 21 Ca -0.47 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1qry h LYS 21 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1qry h LYS 21 CO 0.93 0.00 -0.00 0.00 -2.27 0.00 0.00 179.45 178.11 1qry h ALA 22 N 0.22 -0.75 -3.00 5.00 0.00 -1.98 0.17 119.26 118.92 1qry h ALA 22 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1qry h ALA 22 Cb 2.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.04 1qry h ALA 22 CO -0.00 -0.75 0.00 1.04 0.00 0.00 0.00 179.25 179.54 1qry n GLN 23 N -2.01 0.00 -0.36 0.00 6.02 0.16 0.11 117.38 121.30 1qry n GLN 23 Ca -0.00 0.18 0.28 0.00 -0.01 0.00 0.00 57.00 57.45 1qry n GLN 23 Cb 0.00 -0.68 0.44 0.00 1.02 0.00 0.00 30.24 31.02 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 -0.36 -0.06 0.11 5.09 -1.04 -1.14 0.20 114.28 117.08 1qry n THR 24 Ca 0.00 0.93 -0.05 0.00 -2.04 0.00 0.00 64.05 62.89 1qry n THR 24 Cb 0.00 -1.53 -0.02 0.00 -1.82 0.00 0.00 70.33 66.95 1qry n THR 24 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1qry h TYR 25 N 0.00 -0.30 -0.13 -1.42 3.20 0.38 0.22 116.97 118.92 1qry h TYR 25 Ca 0.53 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.44 1qry h TYR 25 Cb 1.97 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 40.28 1qry h TYR 25 CO -0.00 -0.19 -0.27 0.93 -1.64 0.00 0.00 178.16 177.00 1qry h GLU 26 N -0.68 -0.32 -0.99 1.82 4.39 0.59 0.65 114.58 120.04 1qry h GLU 26 Ca -0.03 0.02 0.35 0.00 0.34 0.00 0.00 59.36 60.04 1qry h GLU 26 Cb 0.25 0.07 -0.17 0.00 -0.10 0.00 0.00 28.75 28.80 1qry h GLU 26 CO 0.05 -0.22 0.38 1.25 -1.16 0.00 0.00 179.01 179.32 1qry h LEU 27 N -0.34 0.09 -0.31 1.33 6.46 0.23 2.45 115.31 125.22 1qry h LEU 27 Ca 0.10 0.25 -0.20 0.00 -0.12 0.00 0.00 57.88 57.91 1qry h LEU 27 Cb 0.49 0.32 -0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1qry h LEU 27 CO -0.32 -0.36 -0.81 -0.33 -0.62 0.00 0.00 178.44 176.00 1qry h GLU 28 N 0.05 0.41 0.00 1.25 4.39 0.34 -2.81 114.58 118.22 1qry h GLU 28 Ca 0.75 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 1qry h GLU 28 Cb 1.82 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.55 1qry h GLU 28 CO -0.79 1.03 -0.08 0.00 -1.16 0.00 0.00 179.01 178.00 1qry h ARG 29 N 0.27 0.00 0.06 2.33 3.08 0.86 -2.41 114.38 118.57 1qry h ARG 29 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1qry h ARG 29 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1qry h ARG 29 CO 0.14 0.08 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.01 1qry h ARG 30 N 0.00 -0.08 -1.15 0.04 1.12 -0.59 -3.16 114.38 110.55 1qry h ARG 30 Ca -0.00 0.01 0.32 0.00 -1.11 0.00 0.00 59.98 59.20 1qry h ARG 30 Cb 0.16 0.02 -0.09 0.00 -0.01 0.00 0.00 29.97 30.05 1qry h ARG 30 CO 0.01 0.52 0.77 0.35 -3.11 0.00 0.00 179.97 178.52 1qry h PHE 31 N -0.82 0.42 -0.36 2.20 3.04 -1.23 0.21 116.94 120.41 1qry h PHE 31 Ca -0.01 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.01 1qry h PHE 31 Cb 0.63 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.98 1qry h PHE 31 CO 0.14 -0.00 0.09 0.00 -2.02 0.00 0.00 178.31 176.53 1qry h ARG 32 N 0.21 0.22 -0.01 1.11 3.08 -1.41 -0.97 114.38 116.63 1qry h ARG 32 Ca 0.63 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.67 1qry h ARG 32 Cb 1.96 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.96 1qry h ARG 32 CO -0.22 0.15 -0.16 1.04 -1.07 0.00 0.00 179.97 179.70 1qry n GLN 33 N -5.06 0.78 -3.83 0.04 6.02 0.57 -4.72 117.38 111.18 1qry n GLN 33 Ca 0.01 -0.35 -0.26 0.00 -0.01 0.00 0.00 57.00 56.39 1qry n GLN 33 Cb 0.15 -1.49 -0.17 0.00 1.02 0.00 0.00 30.24 29.74 1qry n GLN 33 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1qry s GLN 34 N -2.47 1.03 0.43 -1.09 1.11 -0.17 -4.98 119.66 113.53 1qry s GLN 34 Ca 0.28 -0.20 0.23 0.00 0.01 0.00 0.00 55.36 55.67 1qry s GLN 34 Cb 0.20 -1.53 0.86 0.00 -1.01 0.00 0.00 33.01 31.53 1qry s GLN 34 CO 0.49 -0.38 1.80 0.07 0.01 0.00 0.00 175.29 177.28 1qry h ARG 35 N 8.23 0.00 -0.58 2.91 0.11 -1.85 -3.35 114.38 119.86 1qry h ARG 35 Ca -0.23 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.55 1qry h ARG 35 Cb 1.12 0.00 -0.24 0.00 1.11 0.00 0.00 29.97 31.96 1qry h ARG 35 CO 0.34 0.25 -0.70 2.48 0.10 0.00 0.00 179.97 182.45 1qry n TYR 36 N -3.42 -1.47 0.00 4.08 0.18 -1.26 -5.04 117.16 110.23 1qry n TYR 36 Ca 0.00 -2.53 0.00 0.00 1.88 0.00 0.00 57.90 57.25 1qry n TYR 36 Cb 0.45 0.87 0.00 0.00 -0.38 0.00 0.00 39.34 40.28 1qry n TYR 36 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1qry n LEU 37 N 0.01 0.00 0.00 -3.48 7.94 -1.25 -4.87 117.00 115.35 1qry n LEU 37 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 1qry n LEU 37 Cb 0.75 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.70 1qry n LEU 37 CO 0.08 0.00 0.00 -1.20 -1.11 0.00 0.00 177.39 175.16 1qry n SER 38 N 0.00 0.00 0.00 1.96 7.64 -1.26 -4.31 113.62 117.64 1qry n SER 38 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1qry n SER 38 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qry n ALA 39 N 1.49 0.00 -0.32 -0.43 0.00 -1.26 0.44 120.51 120.42 1qry n ALA 39 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1qry n ALA 39 Cb 0.00 0.20 0.39 0.00 0.00 0.00 0.00 19.45 20.04 1qry n ALA 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qry h PRO 40 N 0.00 0.25 0.00 0.00 0.13 -2.00 0.32 132.00 130.70 1qry h PRO 40 Ca 0.00 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1qry h PRO 40 Cb 0.00 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.07 1qry h PRO 40 CO 0.00 0.16 -0.06 0.93 -0.23 0.00 0.00 178.00 178.81 1qry h GLU 41 N 0.25 0.00 -0.95 0.86 3.07 0.44 -3.30 114.58 114.95 1qry h GLU 41 Ca 0.66 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.68 1qry h GLU 41 Cb 1.43 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 29.18 1qry h GLU 41 CO -0.65 0.81 -0.31 0.54 -1.40 0.00 0.00 179.01 178.00 1qry n ARG 42 N -4.63 -0.16 -0.55 2.33 1.74 1.51 0.42 116.66 117.31 1qry n ARG 42 Ca -0.09 1.47 0.45 0.00 -0.77 0.00 0.00 57.85 58.91 1qry n ARG 42 Cb 0.40 -2.19 0.74 0.00 -1.02 0.00 0.00 32.46 30.38 1qry n ARG 42 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1qry h GLU 43 N 0.00 0.02 0.55 5.56 4.39 -0.50 0.95 114.58 125.56 1qry h GLU 43 Ca 0.39 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.06 1qry h GLU 43 Cb 0.63 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1qry h GLU 43 CO -0.96 0.02 -0.27 1.25 -1.16 0.00 0.00 179.01 177.89 1qry h HIS 44 N 0.02 -0.69 0.08 4.33 2.76 0.84 -2.46 115.15 120.04 1qry h HIS 44 Ca 0.88 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 59.04 1qry h HIS 44 Cb 3.13 0.23 -0.05 0.00 1.55 0.00 0.00 27.41 32.27 1qry h HIS 44 CO -0.00 -0.37 -0.48 1.25 -1.30 0.00 0.00 177.93 177.02 1qry h LEU 45 N -0.92 -1.47 -0.32 0.26 7.12 0.91 0.17 115.31 121.06 1qry h LEU 45 Ca -0.08 0.16 0.08 0.00 0.13 0.00 0.00 57.88 58.17 1qry h LEU 45 Cb 0.63 0.55 -0.01 0.00 -0.53 0.00 0.00 40.66 41.29 1qry h LEU 45 CO 0.12 -0.50 1.05 0.71 -0.13 0.00 0.00 178.44 179.70 1qry h THR 46 N -0.67 0.00 0.00 1.05 1.35 -0.88 3.92 112.91 117.68 1qry h THR 46 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.76 1qry h THR 46 Cb 0.68 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.10 1qry h THR 46 CO -0.28 0.00 -1.02 -1.28 -0.25 0.00 0.00 175.52 172.69 1qry h SER 47 N 0.00 0.00 0.00 5.36 0.87 -0.16 -2.94 113.55 116.68 1qry h SER 47 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1qry h SER 47 Cb 2.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.20 1qry h SER 47 CO -0.00 0.37 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.58 1qry h LEU 48 N 0.00 0.00 -3.15 2.23 3.38 0.76 -3.41 115.31 115.13 1qry h LEU 48 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1qry h LEU 48 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1qry h LEU 48 CO 0.03 0.05 0.00 2.30 0.09 0.00 0.00 178.44 180.91 1qry n ILE 49 N -2.35 1.84 0.00 1.22 -0.00 -1.01 -4.96 119.36 114.09 1qry n ILE 49 Ca -0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 62.75 61.41 1qry n ILE 49 Cb 0.01 0.09 0.00 0.00 -0.00 0.00 0.00 39.64 39.74 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 0.60 0.00 -1.23 6.28 1.74 -1.11 -4.84 116.66 118.10 1qry n ARG 50 Ca 0.22 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 57.03 1qry n ARG 50 Cb 0.82 -3.24 -0.15 0.00 -1.02 0.00 0.00 32.46 28.87 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 -0.38 -2.35 0.55 7.99 -1.26 -4.54 117.00 117.01 1qry n LEU 51 Ca 0.00 -0.11 -0.30 0.00 -0.01 0.00 0.00 56.01 55.59 1qry n LEU 51 Cb 0.00 -0.62 -0.04 0.00 -0.11 0.00 0.00 43.42 42.65 1qry n LEU 51 CO 0.00 -0.84 0.25 0.35 -1.51 0.00 0.00 177.39 175.64 1qry n THR 52 N 5.46 0.17 0.00 -5.08 -2.24 -1.26 -3.92 114.28 107.41 1qry n THR 52 Ca 0.55 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1qry n THR 52 Cb 0.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.75 0.00 -0.39 -0.78 -0.02 -1.26 0.14 135.00 133.43 1qry n PRO 53 Ca 0.10 0.16 -0.08 0.00 -2.02 0.00 0.00 63.50 61.66 1qry n PRO 53 Cb 0.06 -0.31 -0.06 0.00 -0.02 0.00 0.00 33.50 33.17 1qry n PRO 53 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1qry n THR 54 N -0.65 -0.61 -0.40 3.45 -1.04 -1.26 0.29 114.28 114.05 1qry n THR 54 Ca 0.00 2.31 0.32 0.00 -2.04 0.00 0.00 64.05 64.64 1qry n THR 54 Cb 0.00 -2.91 0.61 0.00 -1.82 0.00 0.00 70.33 66.21 1qry n THR 54 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1qry h GLN 55 N 0.00 0.17 -0.03 -2.82 1.08 -0.57 1.26 115.11 114.20 1qry h GLN 55 Ca 0.21 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1qry h GLN 55 Cb 0.45 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1qry h GLN 55 CO -0.92 0.11 0.01 0.28 -0.95 0.00 0.00 178.83 177.36 1qry h VAL 56 N 0.17 1.19 -0.09 -0.54 2.07 0.59 -2.27 116.25 117.37 1qry h VAL 56 Ca 0.76 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1qry h VAL 56 Cb 2.25 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1qry h VAL 56 CO -0.40 0.16 0.06 0.50 0.02 0.00 0.00 177.57 177.91 1qry h LYS 57 N -0.18 0.13 -0.24 1.57 3.64 0.24 -0.46 116.57 121.27 1qry h LYS 57 Ca 0.01 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1qry h LYS 57 Cb 0.25 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1qry h LYS 57 CO 0.00 0.11 0.30 0.82 -2.27 0.00 0.00 179.45 178.41 1qry h ILE 58 N 0.10 0.37 0.14 2.00 1.08 -0.37 0.31 117.51 121.15 1qry h ILE 58 Ca 0.03 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 64.30 1qry h ILE 58 Cb 0.01 0.75 0.02 0.00 -3.07 0.00 0.00 36.82 34.54 1qry h ILE 58 CO -0.01 0.00 -0.87 -0.25 -0.69 0.00 0.00 178.15 176.33 1qry h TRP 59 N 0.00 0.60 0.29 1.37 7.01 -0.52 -3.33 115.95 121.37 1qry h TRP 59 Ca 0.12 -0.43 0.00 0.00 2.11 0.00 0.00 58.89 60.69 1qry h TRP 59 Cb 0.72 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.73 1qry h TRP 59 CO 0.00 1.33 -0.35 0.74 -2.79 0.00 0.00 178.44 177.37 1qry h PHE 60 N -0.30 -0.95 -0.78 2.65 -1.00 0.20 -2.31 116.94 114.46 1qry h PHE 60 Ca -0.15 0.01 0.14 0.00 2.81 0.00 0.00 57.97 60.78 1qry h PHE 60 Cb 1.68 0.38 -0.14 0.00 3.61 0.00 0.00 35.95 41.48 1qry h PHE 60 CO 0.19 -0.48 -0.26 0.94 -1.61 0.00 0.00 178.31 177.09 1qry n GLN 61 N -5.45 -0.13 0.45 1.51 7.27 -0.73 0.39 117.38 120.69 1qry n GLN 61 Ca -0.09 1.21 -0.18 0.00 0.07 0.00 0.00 57.00 58.02 1qry n GLN 61 Cb 0.36 -1.81 -0.08 0.00 2.41 0.00 0.00 30.24 31.11 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 -0.99 -0.11 1.69 -0.73 -1.54 -2.80 115.58 111.10 1qry h ASN 62 Ca 0.32 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.50 1qry h ASN 62 Cb 0.52 0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.35 1qry h ASN 62 CO -0.79 -0.70 0.00 0.45 -0.37 0.00 0.00 177.43 176.02 1qry h HIS 63 N -1.15 0.31 -0.85 0.67 3.86 -0.27 -2.83 115.15 114.88 1qry h HIS 63 Ca -0.12 -0.02 0.24 0.00 -1.16 0.00 0.00 60.37 59.32 1qry h HIS 63 Cb 0.89 -0.10 -0.16 0.00 1.06 0.00 0.00 27.41 29.10 1qry h HIS 63 CO 0.03 0.32 0.04 -2.13 0.86 0.00 0.00 177.93 177.05 1qry n ARG 64 N -4.36 -0.07 -0.07 2.45 0.00 1.26 0.26 116.66 116.13 1qry n ARG 64 Ca 0.00 1.27 -0.13 0.00 -0.00 0.00 0.00 57.85 58.99 1qry n ARG 64 Cb 0.19 -2.02 -0.06 0.00 0.00 0.00 0.00 32.46 30.57 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 0.54 0.14 -0.14 5.03 -1.55 -3.30 116.97 117.70 1qry h TYR 65 Ca 0.52 -0.15 -0.21 0.00 2.58 0.00 0.00 58.73 61.48 1qry h TYR 65 Cb 1.10 -0.12 0.02 0.00 1.55 0.00 0.00 36.73 39.29 1qry h TYR 65 CO -0.41 0.79 -0.89 0.87 -1.32 0.00 0.00 178.16 177.19 1qry h LYS 66 N 0.14 0.35 0.00 1.82 1.57 0.41 -3.13 116.57 117.73 1qry h LYS 66 Ca 0.04 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1qry h LYS 66 Cb 0.67 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1qry h LYS 66 CO 0.04 1.26 0.67 1.79 -0.57 0.00 0.00 179.45 182.65 1qry h THR 67 N -0.27 0.00 0.09 -0.16 1.35 0.35 3.49 112.91 117.76 1qry h THR 67 Ca -0.15 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 65.39 1qry h THR 67 Cb 1.69 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 -1.66 0.11 -0.25 0.00 0.00 175.52 173.89 1qry h LYS 68 N 0.00 0.19 -0.04 4.72 1.57 -1.62 -3.34 116.57 118.05 1qry h LYS 68 Ca 0.00 -0.32 -0.20 0.00 -1.87 0.00 0.00 60.65 58.25 1qry h LYS 68 Cb 1.35 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.78 1qry h LYS 68 CO 0.00 0.99 -0.83 0.00 -0.57 0.00 0.00 179.45 179.04 1qry h ARG 69 N 0.05 0.40 -0.84 3.15 2.47 0.64 -3.19 114.38 117.06 1qry h ARG 69 Ca -0.29 -0.37 0.21 0.00 -1.26 0.00 0.00 59.98 58.27 1qry h ARG 69 Cb 2.01 0.09 -0.13 0.00 -1.65 0.00 0.00 29.97 30.29 1qry h ARG 69 CO 0.13 1.03 0.20 0.00 0.56 0.00 0.00 179.97 181.88 1qry h ALA 70 N 0.85 1.15 -0.83 0.04 0.00 -1.32 0.87 119.26 120.02 1qry h ALA 70 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1qry h ALA 70 Cb 1.44 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1qry h ALA 70 CO 0.14 -0.43 0.53 1.96 0.00 0.00 0.00 179.25 181.46 1qry h GLN 71 N 0.22 1.10 0.00 0.00 4.20 -1.70 0.58 115.11 119.51 1qry h GLN 71 Ca 0.51 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 59.12 1qry h GLN 71 Cb 0.97 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 1qry h GLN 71 CO -0.62 0.74 -0.09 -0.91 -0.67 0.00 0.00 178.83 177.28 1qry h ASN 72 N 1.13 0.00 0.00 1.46 -0.26 0.55 -3.37 115.58 115.09 1qry h ASN 72 Ca 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 1qry h ASN 72 Cb -0.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1qry h ASN 72 CO -0.06 0.09 0.00 -0.62 -1.06 0.00 0.00 177.43 175.78 1qry n GLU 73 N -3.19 0.00 0.00 0.81 1.02 0.24 -4.95 120.64 114.58 1qry n GLU 73 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1qry n GLU 73 Cb 0.40 -0.19 0.00 0.00 -0.02 0.00 0.00 31.44 31.64 1qry n GLU 73 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1qry n LYS 74 N -0.51 0.00 -1.01 3.49 3.00 0.02 -4.78 118.16 118.37 1qry n LYS 74 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1qry n LYS 74 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 0.00 0.47 3.20 3.14 0.00 -1.26 -4.96 105.19 105.78 1qry n GLY 75 Ca 0.00 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.93 4.60 -1.94 1.61 4.01 -1.26 -5.02 117.16 116.23 1qry n TYR 76 Ca -0.00 -3.91 -0.43 0.00 -0.16 0.00 0.00 57.90 53.39 1qry n TYR 76 Cb 0.04 -1.42 -0.03 0.00 -0.31 0.00 0.00 39.34 37.63 1qry n TYR 76 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1qry s GLU 77 N -1.48 3.40 0.57 -0.72 2.56 -1.26 -4.93 118.70 116.85 1qry s GLU 77 Ca 0.30 1.61 -0.18 0.00 0.00 0.00 0.00 54.97 56.70 1qry s GLU 77 Cb -0.07 -4.20 -0.09 0.00 2.00 0.00 0.00 34.13 31.76 1qry s GLU 77 CO -0.08 -1.78 0.42 0.41 -0.56 0.00 0.00 175.26 173.67 1qry n GLY 78 N 5.34 -1.77 1.99 -1.50 0.00 -1.26 -3.91 105.19 104.09 1qry n GLY 78 Ca 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.72 -0.91 0.00 1.61 -0.00 -1.26 -5.29 115.22 107.65 1qry n HIS 79 Ca 0.11 0.34 0.00 0.00 -0.00 0.00 0.00 57.72 58.17 1qry n HIS 79 Cb 0.48 -2.41 0.00 0.00 -0.00 0.00 0.00 29.99 28.06 1qry n HIS 79 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04