#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 -0.06 0.06 1.61 1.04 -1.26 -5.16 113.70 109.92 1qry s SER 2 Ca 0.00 0.08 -0.05 0.00 0.48 0.00 0.00 55.95 56.45 1qry s SER 2 Cb 0.00 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 1qry s SER 2 CO 0.00 -0.15 0.09 -1.38 0.98 0.00 0.00 173.24 172.78 1qry s HIS 3 N -0.43 0.27 0.00 5.02 -0.00 -1.26 -5.13 115.29 113.76 1qry s HIS 3 Ca -0.05 -0.68 0.00 0.00 -0.00 0.00 0.00 55.06 54.33 1qry s HIS 3 Cb -0.03 -0.18 0.00 0.00 -0.00 0.00 0.00 32.58 32.36 1qry s HIS 3 CO 0.00 -0.42 0.00 -0.12 -0.00 0.00 0.00 174.74 174.20 1qry n MET 4 N 0.33 0.00 -2.42 -0.38 0.00 -1.26 -5.09 117.12 108.31 1qry n MET 4 Ca -0.16 0.00 -0.33 0.00 -0.00 0.00 0.00 57.70 57.21 1qry n MET 4 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.79 1qry n MET 4 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1qry s SER 5 N 1.00 6.48 -0.34 6.12 0.01 -1.26 -5.04 113.70 120.67 1qry s SER 5 Ca 0.00 1.69 -0.01 0.00 1.31 0.00 0.00 55.95 58.94 1qry s SER 5 Cb 0.00 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 63.83 1qry s SER 5 CO 0.00 -0.69 0.19 -0.62 0.41 0.00 0.00 173.24 172.53 1qry s ASP 6 N -2.71 3.17 0.23 2.44 2.15 -1.26 -5.12 116.67 115.56 1qry s ASP 6 Ca 0.61 -1.98 0.00 0.00 0.43 0.00 0.00 52.55 51.62 1qry s ASP 6 Cb -0.12 -0.43 -0.05 0.00 -0.30 0.00 0.00 42.92 42.03 1qry s ASP 6 CO 0.28 -0.34 0.11 -0.83 -0.17 0.00 0.00 175.17 174.21 1qry s GLY 7 N 1.30 1.61 -0.51 2.66 0.00 -1.26 -4.90 107.32 106.22 1qry s GLY 7 Ca 0.16 -1.79 -0.09 0.00 0.00 0.00 0.00 44.72 42.99 1qry s GLY 7 CO -0.09 -1.51 0.32 1.04 0.00 0.00 0.00 173.10 172.86 1qry n LEU 8 N -0.38 -0.44 -4.51 0.66 4.77 -1.26 -4.49 117.00 111.36 1qry n LEU 8 Ca 0.01 -0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 55.29 1qry n LEU 8 Cb 0.66 -0.78 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 1qry n LEU 8 CO 0.36 0.32 1.23 -2.65 -1.33 0.00 0.00 177.39 175.31 1qry n PRO 9 N -2.31 0.27 -1.43 3.23 -0.02 -1.26 -2.55 135.00 130.92 1qry n PRO 9 Ca -0.11 -1.01 -0.15 0.00 -2.02 0.00 0.00 63.50 60.21 1qry n PRO 9 Cb 0.31 -3.25 -0.07 0.00 -0.02 0.00 0.00 33.50 30.47 1qry n PRO 9 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1qry n ASN 10 N 16.51 -4.24 0.00 2.55 4.05 -1.26 -4.60 115.26 128.26 1qry n ASN 10 Ca 0.42 0.38 0.00 0.00 0.45 0.00 0.00 54.58 55.83 1qry n ASN 10 Cb 0.42 -3.79 0.00 0.00 1.23 0.00 0.00 39.78 37.64 1qry n ASN 10 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1qry n LYS 11 N -1.92 0.00 -1.03 1.20 3.00 -1.06 -4.61 118.16 113.75 1qry n LYS 11 Ca -0.15 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.83 1qry n LYS 11 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.56 1qry n LYS 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1qry n LYS 12 N 6.18 0.00 -3.39 1.64 4.81 -1.26 -4.91 118.16 121.22 1qry n LYS 12 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1qry n LYS 12 Cb 0.00 -0.86 -0.09 0.00 0.02 0.00 0.00 35.03 34.11 1qry n LYS 12 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1qry n ARG 13 N 1.48 1.30 0.19 1.64 1.74 -1.26 -4.98 116.66 116.76 1qry n ARG 13 Ca 0.05 -3.81 -0.07 0.00 -0.77 0.00 0.00 57.85 53.25 1qry n ARG 13 Cb 0.42 -1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 1qry n ARG 13 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1qry h LYS 14 N 4.55 -0.46 -3.09 5.56 2.10 -1.94 -3.40 116.57 119.89 1qry h LYS 14 Ca 0.16 0.03 -0.18 0.00 -2.00 0.00 0.00 60.65 58.66 1qry h LYS 14 Cb 0.80 0.10 -0.06 0.00 -0.90 0.00 0.00 32.23 32.18 1qry h LYS 14 CO 0.59 -0.30 1.14 -2.13 -2.00 0.00 0.00 179.45 176.74 1qry n ARG 15 N -3.34 0.00 -0.44 0.07 0.63 -1.26 -4.80 116.66 107.52 1qry n ARG 15 Ca -0.06 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.58 1qry n ARG 15 Cb 0.19 -0.62 0.27 0.00 0.45 0.00 0.00 32.46 32.75 1qry n ARG 15 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1qry s ARG 16 N 4.09 -1.98 0.40 -0.14 3.03 -1.26 -4.95 118.95 118.14 1qry s ARG 16 Ca 0.66 0.50 -0.23 0.00 2.03 0.00 0.00 55.73 58.68 1qry s ARG 16 Cb -0.42 -1.46 -0.09 0.00 -1.03 0.00 0.00 34.95 31.95 1qry s ARG 16 CO 0.28 -4.34 1.01 0.54 -1.13 0.00 0.00 175.30 171.67 1qry s VAL 17 N -2.35 3.93 0.24 4.99 0.11 -1.26 -5.05 120.40 121.00 1qry s VAL 17 Ca 0.69 1.40 0.02 0.00 -2.93 0.00 0.00 61.98 61.15 1qry s VAL 17 Cb -0.20 -3.69 -0.01 0.00 -1.53 0.00 0.00 36.38 30.96 1qry s VAL 17 CO 0.62 -0.06 0.28 0.00 -3.33 0.00 0.00 175.10 172.60 1qry n LEU 18 N -0.19 0.00 -3.76 2.54 -0.00 -1.26 -5.17 117.00 109.16 1qry n LEU 18 Ca 0.05 -2.09 -0.13 0.00 -0.00 0.00 0.00 56.01 53.85 1qry n LEU 18 Cb 0.51 1.51 -0.13 0.00 -0.00 0.00 0.00 43.42 45.30 1qry n LEU 18 CO 0.43 -0.42 -0.16 -0.36 -0.00 0.00 0.00 177.39 176.88 1qry s PHE 19 N -3.27 -0.24 -0.60 1.47 0.08 -1.26 -5.07 117.98 109.09 1qry s PHE 19 Ca 0.24 0.61 -0.29 0.00 0.12 0.00 0.00 56.93 57.61 1qry s PHE 19 Cb 0.00 0.02 -0.16 0.00 -0.57 0.00 0.00 43.02 42.31 1qry s PHE 19 CO 0.17 -0.17 1.90 0.25 -0.10 0.00 0.00 175.22 177.26 1qry n THR 20 N 3.83 0.00 -0.11 0.64 -2.24 -1.26 -4.52 114.28 110.62 1qry n THR 20 Ca -0.22 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.65 1qry n THR 20 Cb 0.54 -0.39 0.16 0.00 -2.10 0.00 0.00 70.33 68.54 1qry n THR 20 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1qry n LYS 21 N 6.24 -0.02 -0.01 -0.78 3.00 -1.26 0.26 118.16 125.60 1qry n LYS 21 Ca 0.47 0.49 -0.01 0.00 -0.00 0.00 0.00 58.31 59.27 1qry n LYS 21 Cb -0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 35.03 34.19 1qry n LYS 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qry h ALA 22 N 0.68 -0.37 -2.73 3.14 0.00 -1.97 2.14 119.26 120.15 1qry h ALA 22 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1qry h ALA 22 Cb 0.61 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1qry h ALA 22 CO -0.29 -0.38 0.00 1.04 0.00 0.00 0.00 179.25 179.62 1qry n GLN 23 N -2.82 0.00 -0.15 0.00 3.00 0.73 0.99 117.38 119.14 1qry n GLN 23 Ca -0.00 0.05 0.12 0.00 -0.01 0.00 0.00 57.00 57.16 1qry n GLN 23 Cb 0.02 -0.50 0.22 0.00 0.00 0.00 0.00 30.24 29.98 1qry n GLN 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1qry n THR 24 N -0.10 -0.19 0.00 5.09 -1.04 -1.17 0.21 114.28 117.08 1qry n THR 24 Ca 0.00 0.95 0.00 0.00 -2.04 0.00 0.00 64.05 62.96 1qry n THR 24 Cb 0.00 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.02 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 -4.19 0.00 -0.30 -1.42 9.36 0.72 0.25 117.16 121.58 1qry n TYR 25 Ca 0.15 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.30 1qry n TYR 25 Cb 0.51 -0.35 -0.03 0.00 -0.63 0.00 0.00 39.34 38.84 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 -0.12 -0.98 2.98 4.39 0.72 3.08 114.58 124.64 1qry h GLU 26 Ca 0.00 0.01 0.34 0.00 0.34 0.00 0.00 59.36 60.05 1qry h GLU 26 Cb 0.00 0.03 -0.17 0.00 -0.10 0.00 0.00 28.75 28.51 1qry h GLU 26 CO 0.00 -0.08 0.38 1.25 -1.16 0.00 0.00 179.01 179.40 1qry h LEU 27 N -0.12 0.11 -0.08 1.33 6.46 0.26 1.14 115.31 124.41 1qry h LEU 27 Ca 0.22 0.25 -0.14 0.00 -0.12 0.00 0.00 57.88 58.09 1qry h LEU 27 Cb 0.54 0.30 0.01 0.00 -0.73 0.00 0.00 40.66 40.78 1qry h LEU 27 CO -0.82 -0.33 -0.48 -0.33 -0.62 0.00 0.00 178.44 175.85 1qry h GLU 28 N 0.08 0.47 -1.36 1.25 4.39 2.00 -2.94 114.58 118.48 1qry h GLU 28 Ca 0.73 -0.40 0.40 0.00 0.34 0.00 0.00 59.36 60.43 1qry h GLU 28 Cb 1.76 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 30.44 1qry h GLU 28 CO -0.77 1.04 0.98 0.00 -1.16 0.00 0.00 179.01 179.09 1qry h ARG 29 N 0.04 0.02 -0.26 2.33 3.08 0.84 1.53 114.38 121.96 1qry h ARG 29 Ca -0.04 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 1qry h ARG 29 Cb 1.14 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1qry h ARG 29 CO 0.10 0.01 -0.21 -0.09 -1.07 0.00 0.00 179.97 178.71 1qry h ARG 30 N 0.02 0.61 -0.37 0.04 1.12 -1.03 -2.34 114.38 112.43 1qry h ARG 30 Ca 0.66 -0.30 0.11 0.00 -1.11 0.00 0.00 59.98 59.33 1qry h ARG 30 Cb 2.59 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 32.53 1qry h ARG 30 CO -0.03 0.89 0.54 0.35 -3.11 0.00 0.00 179.97 178.62 1qry h PHE 31 N 0.33 0.00 0.00 2.20 3.04 0.22 0.22 116.94 122.95 1qry h PHE 31 Ca 0.05 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1qry h PHE 31 Cb 0.76 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.27 1qry h PHE 31 CO 0.07 0.00 0.00 0.54 -2.02 0.00 0.00 178.31 176.90 1qry n ARG 32 N -3.39 0.00 0.00 1.11 1.74 -0.89 -3.56 116.66 111.68 1qry n ARG 32 Ca 0.07 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1qry n ARG 32 Cb 0.69 -0.66 0.00 0.00 -1.02 0.00 0.00 32.46 31.47 1qry n ARG 32 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1qry n GLN 33 N -0.84 0.00 -3.66 5.56 1.13 -1.12 -4.29 117.38 114.16 1qry n GLN 33 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 1qry n GLN 33 Cb 0.00 -1.48 -0.08 0.00 0.11 0.00 0.00 30.24 28.79 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 -1.76 0.65 0.00 -1.09 2.00 0.76 -5.02 119.66 115.19 1qry s GLN 34 Ca 0.00 1.03 0.08 0.00 -2.00 0.00 0.00 55.36 54.48 1qry s GLN 34 Cb 0.00 0.16 -0.05 0.00 0.80 0.00 0.00 33.01 33.92 1qry s GLN 34 CO 0.00 -0.13 0.44 2.89 -0.50 0.00 0.00 175.29 177.98 1qry n ARG 35 N 3.88 3.45 -2.71 1.67 1.85 -1.24 -3.44 116.66 120.12 1qry n ARG 35 Ca -0.19 -0.23 -0.06 0.00 -1.00 0.00 0.00 57.85 56.36 1qry n ARG 35 Cb 0.57 -0.94 0.04 0.00 -1.05 0.00 0.00 32.46 31.08 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 -0.80 1.38 -0.38 2.89 4.11 -1.26 -5.08 117.16 118.02 1qry n TYR 36 Ca 0.02 -2.46 -0.15 0.00 -0.00 0.00 0.00 57.90 55.31 1qry n TYR 36 Cb 0.15 -0.29 -0.02 0.00 -0.00 0.00 0.00 39.34 39.17 1qry n TYR 36 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1qry n LEU 37 N -0.37 0.13 0.00 -3.48 4.32 -1.26 -4.91 117.00 111.43 1qry n LEU 37 Ca 0.11 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.38 1qry n LEU 37 Cb 0.81 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1qry n LEU 37 CO 0.18 -0.33 0.00 -0.24 -1.22 0.00 0.00 177.39 175.78 1qry n SER 38 N 0.63 0.00 0.02 -1.43 2.88 -1.26 -4.87 113.62 109.59 1qry n SER 38 Ca 0.06 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.54 1qry n SER 38 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qry h ALA 39 N -0.82 0.65 -0.01 -1.46 0.00 -2.00 -3.34 119.26 112.29 1qry h ALA 39 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1qry h ALA 39 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1qry h ALA 39 CO 0.00 1.30 -0.79 -0.35 0.00 0.00 0.00 179.25 179.41 1qry n PRO 40 N -3.09 0.47 0.03 0.00 -0.04 -1.26 -3.71 135.00 127.40 1qry n PRO 40 Ca -0.10 -0.39 -0.18 0.00 -0.04 0.00 0.00 63.50 62.79 1qry n PRO 40 Cb 0.96 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.95 0.24 -0.00 0.54 3.07 -1.92 -3.34 114.58 114.11 1qry h GLU 41 Ca 0.00 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1qry h GLU 41 Cb 0.60 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1qry h GLU 41 CO 0.00 1.08 -0.28 2.89 -1.40 0.00 0.00 179.01 181.30 1qry n ARG 42 N -3.42 0.34 0.00 2.33 -4.01 -1.25 -3.01 116.66 107.63 1qry n ARG 42 Ca -0.23 -0.16 0.13 0.00 -1.04 0.00 0.00 57.85 56.55 1qry n ARG 42 Cb 1.05 -1.50 0.47 0.00 -3.04 0.00 0.00 32.46 29.44 1qry n ARG 42 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1qry n GLU 43 N -1.19 0.06 0.07 2.89 -0.58 -1.24 -2.44 120.64 118.20 1qry n GLU 43 Ca 0.09 -0.02 -0.22 0.00 -0.42 0.00 0.00 57.16 56.59 1qry n GLU 43 Cb 0.33 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.55 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 0.05 0.66 0.30 -0.32 2.76 -1.67 -3.31 115.15 113.62 1qry h HIS 44 Ca 0.00 -0.48 -0.01 0.00 -2.20 0.00 0.00 60.37 57.68 1qry h HIS 44 Cb 0.49 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1qry h HIS 44 CO 0.00 1.51 -0.22 1.25 -1.30 0.00 0.00 177.93 179.17 1qry h LEU 45 N -0.14 -0.56 0.00 0.26 5.85 -1.63 0.11 115.31 119.20 1qry h LEU 45 Ca -0.25 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1qry h LEU 45 Cb 1.89 0.18 0.00 0.00 0.37 0.00 0.00 40.66 43.10 1qry h LEU 45 CO 0.16 -0.34 0.78 0.35 -0.34 0.00 0.00 178.44 179.05 1qry n THR 46 N -5.35 0.00 0.03 1.05 -2.24 -1.02 0.56 114.28 107.31 1qry n THR 46 Ca -0.09 0.78 -0.22 0.00 -2.27 0.00 0.00 64.05 62.25 1qry n THR 46 Cb 0.25 -1.70 -0.14 0.00 -2.10 0.00 0.00 70.33 66.65 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 0.47 0.00 3.42 4.64 -0.88 -3.23 113.55 117.96 1qry h SER 47 Ca 0.00 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.42 1qry h SER 47 Cb 1.56 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1qry h SER 47 CO 0.00 1.75 0.00 0.18 -0.87 0.00 0.00 176.83 177.89 1qry n LEU 48 N -3.70 0.00 -0.83 5.97 7.99 2.28 -4.28 117.00 124.44 1qry n LEU 48 Ca -0.27 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 55.75 1qry n LEU 48 Cb 1.00 0.00 0.11 0.00 -0.11 0.00 0.00 43.42 44.42 1qry n LEU 48 CO 0.44 0.00 0.43 2.30 -1.51 0.00 0.00 177.39 179.06 1qry n ILE 49 N 0.00 0.70 -0.02 -0.08 -0.00 -1.14 -4.88 119.36 113.94 1qry n ILE 49 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 62.75 62.38 1qry n ILE 49 Cb 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 39.64 39.25 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 0.16 0.00 -1.41 6.28 1.74 -1.22 -4.79 116.66 117.41 1qry n ARG 50 Ca 0.07 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.85 1qry n ARG 50 Cb 0.47 -3.00 -0.18 0.00 -1.02 0.00 0.00 32.46 28.74 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 -0.52 -2.43 0.55 7.99 -1.26 -4.56 117.00 116.76 1qry n LEU 51 Ca 0.00 -0.16 -0.30 0.00 -0.01 0.00 0.00 56.01 55.54 1qry n LEU 51 Cb 0.00 -0.69 -0.03 0.00 -0.11 0.00 0.00 43.42 42.59 1qry n LEU 51 CO 0.00 -1.00 0.18 0.35 -1.51 0.00 0.00 177.39 175.40 1qry n THR 52 N 6.17 0.47 0.00 -5.08 -2.24 -1.26 -3.89 114.28 108.44 1qry n THR 52 Ca 0.63 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1qry n THR 52 Cb 0.08 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.70 0.00 -0.30 -0.78 -0.04 -1.26 -0.03 135.00 133.29 1qry n PRO 53 Ca 0.10 0.47 0.10 0.00 -0.04 0.00 0.00 63.50 64.13 1qry n PRO 53 Cb 0.08 -0.89 0.20 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.16 -0.36 -0.07 0.52 -1.04 -1.26 0.19 114.28 111.10 1qry n THR 54 Ca 0.00 1.92 -0.07 0.00 -2.04 0.00 0.00 64.05 63.86 1qry n THR 54 Cb 0.00 -2.75 -0.01 0.00 -1.82 0.00 0.00 70.33 65.75 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 0.00 -0.48 -2.82 5.75 -0.72 0.21 115.11 117.06 1qry h GLN 55 Ca 0.48 -0.00 0.10 0.00 -0.15 0.00 0.00 58.65 59.07 1qry h GLN 55 Cb 0.89 -0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.35 1qry h GLN 55 CO -0.84 0.00 -0.17 0.28 -2.65 0.00 0.00 178.83 175.46 1qry h VAL 56 N 0.00 0.44 0.22 2.39 2.07 0.50 0.58 116.25 122.46 1qry h VAL 56 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1qry h VAL 56 Cb 0.20 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1qry h VAL 56 CO -0.28 0.00 -0.10 0.50 0.02 0.00 0.00 177.57 177.70 1qry h LYS 57 N -0.06 -0.28 0.00 1.57 3.64 -0.49 -2.14 116.57 118.81 1qry h LYS 57 Ca 0.23 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1qry h LYS 57 Cb 0.41 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1qry h LYS 57 CO -0.52 -0.15 -0.03 0.82 -2.27 0.00 0.00 179.45 177.30 1qry h ILE 58 N -0.34 0.91 0.28 2.00 1.08 0.22 -2.67 117.51 119.00 1qry h ILE 58 Ca -0.03 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1qry h ILE 58 Cb 0.26 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1qry h ILE 58 CO 0.05 0.03 -0.14 -0.25 -0.69 0.00 0.00 178.15 177.15 1qry h TRP 59 N 0.00 -0.35 -0.62 1.37 7.01 0.80 -3.12 115.95 121.03 1qry h TRP 59 Ca -0.00 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.08 1qry h TRP 59 Cb 0.05 0.12 -0.11 0.00 -2.10 0.00 0.00 29.16 27.12 1qry h TRP 59 CO 0.00 -0.14 -0.45 0.74 -2.79 0.00 0.00 178.44 175.79 1qry h PHE 60 N -0.49 -1.35 -0.55 2.65 -1.00 -1.17 0.24 116.94 115.26 1qry h PHE 60 Ca -0.04 0.09 0.12 0.00 2.81 0.00 0.00 57.97 60.95 1qry h PHE 60 Cb 0.37 0.68 -0.10 0.00 3.61 0.00 0.00 35.95 40.50 1qry h PHE 60 CO -0.03 -0.42 -0.09 0.94 -1.61 0.00 0.00 178.31 177.10 1qry n GLN 61 N -5.40 -0.05 -0.01 1.51 -0.06 -1.18 0.42 117.38 112.61 1qry n GLN 61 Ca 0.02 0.85 -0.11 0.00 -2.00 0.00 0.00 57.00 55.76 1qry n GLN 61 Cb 0.34 -1.30 -0.05 0.00 -4.06 0.00 0.00 30.24 25.18 1qry n GLN 61 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 1qry h ASN 62 N 0.00 0.15 0.10 1.69 -1.24 -1.05 -3.13 115.58 112.10 1qry h ASN 62 Ca 0.29 -0.02 -0.24 0.00 0.71 0.00 0.00 56.30 57.04 1qry h ASN 62 Cb 0.50 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.51 1qry h ASN 62 CO -0.56 0.12 -1.22 0.45 -1.29 0.00 0.00 177.43 174.93 1qry h HIS 63 N 0.16 0.40 -0.58 0.67 3.86 0.38 -3.33 115.15 116.71 1qry h HIS 63 Ca 0.05 -0.29 0.17 0.00 -1.16 0.00 0.00 60.37 59.14 1qry h HIS 63 Cb -0.01 -0.02 -0.11 0.00 1.06 0.00 0.00 27.41 28.34 1qry h HIS 63 CO -0.07 1.48 0.05 -2.13 0.86 0.00 0.00 177.93 178.13 1qry n ARG 64 N -4.04 -0.04 -0.03 2.45 0.00 1.43 0.18 116.66 116.61 1qry n ARG 64 Ca -0.23 0.86 -0.15 0.00 -0.00 0.00 0.00 57.85 58.34 1qry n ARG 64 Cb 0.85 -1.39 -0.10 0.00 0.00 0.00 0.00 32.46 31.82 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 0.31 0.12 -0.14 5.03 -1.68 -3.33 116.97 117.28 1qry h TYR 65 Ca 0.37 -0.14 -0.18 0.00 2.58 0.00 0.00 58.73 61.36 1qry h TYR 65 Cb 0.81 -0.05 0.02 0.00 1.55 0.00 0.00 36.73 39.06 1qry h TYR 65 CO -0.25 0.86 -0.78 0.87 -1.32 0.00 0.00 178.16 177.53 1qry h LYS 66 N -0.33 0.31 -0.02 1.82 1.57 0.64 -3.10 116.57 117.46 1qry h LYS 66 Ca -0.02 -0.50 0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1qry h LYS 66 Cb 0.89 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1qry h LYS 66 CO 0.05 1.23 0.97 1.79 -0.57 0.00 0.00 179.45 182.91 1qry h THR 67 N -0.34 0.00 0.00 -0.16 1.35 0.18 2.15 112.91 116.09 1qry h THR 67 Ca -0.13 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.55 1qry h THR 67 Cb 1.60 0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.03 1qry h THR 67 CO 0.15 0.00 -0.94 0.11 -0.25 0.00 0.00 175.52 174.59 1qry h LYS 68 N 0.00 0.01 0.00 4.72 1.57 -1.64 -3.34 116.57 117.88 1qry h LYS 68 Ca 0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1qry h LYS 68 Cb 1.96 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 34.27 1qry h LYS 68 CO -0.00 1.01 -0.12 0.07 -0.57 0.00 0.00 179.45 179.83 1qry h ARG 69 N -0.97 0.00 0.20 3.15 -0.00 0.32 -3.09 114.38 113.99 1qry h ARG 69 Ca -0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.72 1qry h ARG 69 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.20 1qry h ARG 69 CO -0.14 0.12 -0.22 0.00 -0.00 0.00 0.00 179.97 179.73 1qry h ALA 70 N 1.88 -0.91 -1.47 0.08 0.00 0.02 -0.46 119.26 118.40 1qry h ALA 70 Ca -0.00 -0.08 0.43 0.00 0.00 0.00 0.00 54.91 55.26 1qry h ALA 70 Cb 0.23 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1qry h ALA 70 CO 0.02 -0.92 1.04 1.96 0.00 0.00 0.00 179.25 181.34 1qry h GLN 71 N -0.43 0.04 0.00 0.00 4.20 -1.66 2.02 115.11 119.28 1qry h GLN 71 Ca -0.02 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 1qry h GLN 71 Cb 0.38 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1qry h GLN 71 CO -0.04 0.03 -0.45 -0.97 -0.67 0.00 0.00 178.83 176.72 1qry h ASN 72 N 0.04 0.00 -0.34 1.46 -0.73 -1.13 -1.81 115.58 113.07 1qry h ASN 72 Ca 0.73 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.74 1qry h ASN 72 Cb 2.79 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 41.28 1qry h ASN 72 CO -0.08 0.45 0.20 -0.62 -0.37 0.00 0.00 177.43 177.01 1qry n GLU 73 N -3.83 1.61 -2.77 6.67 1.02 0.68 -3.71 120.64 120.32 1qry n GLU 73 Ca -0.01 -1.11 -0.01 0.00 -0.02 0.00 0.00 57.16 56.01 1qry n GLU 73 Cb 0.50 -1.49 0.08 0.00 -0.02 0.00 0.00 31.44 30.51 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 -0.05 1.57 -0.95 3.49 5.02 -0.68 -5.05 118.16 121.51 1qry n LYS 74 Ca 0.20 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.91 1qry n LYS 74 Cb 0.88 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 1qry n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qry n GLY 75 N -0.97 1.69 3.74 0.72 0.00 -1.24 -5.01 105.19 104.12 1qry n GLY 75 Ca -0.03 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 1qry n GLY 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qry s TYR 76 N -5.55 2.22 -0.96 1.61 5.04 -1.26 -4.91 117.35 113.54 1qry s TYR 76 Ca 0.00 1.44 -0.18 0.00 -2.44 0.00 0.00 57.07 55.89 1qry s TYR 76 Cb 0.00 -3.71 0.13 0.00 0.35 0.00 0.00 41.96 38.73 1qry s TYR 76 CO 0.00 -2.81 1.17 -1.83 -1.34 0.00 0.00 175.55 170.74 1qry s GLU 77 N -3.14 3.66 -0.17 4.97 1.03 -1.26 -4.81 118.70 118.98 1qry s GLU 77 Ca 0.77 -1.85 -0.18 0.00 0.03 0.00 0.00 54.97 53.74 1qry s GLU 77 Cb -0.38 -4.94 -0.15 0.00 -0.80 0.00 0.00 34.13 27.86 1qry s GLU 77 CO 0.42 -1.78 0.19 0.78 -1.33 0.00 0.00 175.26 173.54 1qry h GLY 78 N 10.37 0.00 -5.08 -3.83 0.00 -1.96 -3.44 103.07 99.13 1qry h GLY 78 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.25 1qry h GLY 78 CO 1.13 0.00 -0.50 1.42 0.00 0.00 0.00 176.54 178.59 1qry n HIS 79 N -4.54 -2.38 0.00 5.60 8.25 -1.26 -5.33 115.22 115.56 1qry n HIS 79 Ca -0.20 -2.22 0.00 0.00 -0.26 0.00 0.00 57.72 55.04 1qry n HIS 79 Cb 0.49 1.40 0.00 0.00 1.12 0.00 0.00 29.99 33.00 1qry n HIS 79 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68