#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qr5 s GLU 2 N 0.00 3.16 0.12 3.17 2.56 -0.99 -4.97 118.70 121.76 1qr5 s GLU 2 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 54.97 53.81 1qr5 s GLU 2 Cb 0.00 -2.82 0.05 0.00 2.00 0.00 0.00 34.13 33.36 1qr5 s GLU 2 CO 0.00 0.15 0.46 1.14 -0.56 0.00 0.00 175.26 176.45 1qr5 s GLN 3 N -4.12 1.11 0.32 4.30 -2.07 -1.26 -1.78 119.66 116.15 1qr5 s GLN 3 Ca 0.42 -0.58 -0.15 0.00 -1.82 0.00 0.00 55.36 53.24 1qr5 s GLN 3 Cb -0.09 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.35 1qr5 s GLN 3 CO 0.30 -0.44 0.66 -0.65 -1.32 0.00 0.00 175.29 173.84 1qr5 s GLN 4 N -3.56 1.92 -0.07 9.60 -1.52 0.79 -4.95 119.66 121.86 1qr5 s GLN 4 Ca 0.01 -1.32 -0.19 0.00 -1.95 0.00 0.00 55.36 51.91 1qr5 s GLN 4 Cb 0.01 0.56 0.04 0.00 -0.22 0.00 0.00 33.01 33.40 1qr5 s GLN 4 CO -0.11 -0.86 0.44 -1.54 -0.25 0.00 0.00 175.29 172.98 1qr5 s SER 5 N -3.04 -0.39 0.19 5.90 1.04 -1.26 0.31 113.70 116.45 1qr5 s SER 5 Ca 0.18 0.50 0.04 0.00 0.48 0.00 0.00 55.95 57.15 1qr5 s SER 5 Cb -0.04 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1qr5 s SER 5 CO 0.11 -0.40 0.15 -1.22 0.98 0.00 0.00 173.24 172.86 1qr5 n TYR 6 N 1.68 -0.36 -3.01 5.02 4.01 -0.87 -4.96 117.16 118.66 1qr5 n TYR 6 Ca -0.18 -1.55 -0.15 0.00 -0.16 0.00 0.00 57.90 55.85 1qr5 n TYR 6 Cb 0.56 0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.70 1qr5 n TYR 6 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1qr5 n THR 7 N -0.38 -0.46 -0.82 -0.72 5.66 -1.25 -2.46 114.28 113.85 1qr5 n THR 7 Ca 0.03 -2.46 -0.33 0.00 -3.05 0.00 0.00 64.05 58.24 1qr5 n THR 7 Cb 0.34 -0.23 0.11 0.00 -1.55 0.00 0.00 70.33 69.00 1qr5 n THR 7 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1qr5 n ILE 8 N 2.19 0.00 -1.55 1.09 5.41 -0.75 -4.62 119.36 121.12 1qr5 n ILE 8 Ca 0.19 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1qr5 n ILE 8 Cb 0.55 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1qr5 n ILE 8 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1qr5 n ILE 9 N -3.48 0.00 1.02 1.39 -6.64 -1.26 0.15 119.36 110.54 1qr5 n ILE 9 Ca 0.06 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.04 1qr5 n ILE 9 Cb 0.54 0.70 0.00 0.00 -1.44 0.00 0.00 39.64 39.44 1qr5 n ILE 9 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1qr5 n ASP 10 N 0.00 0.39 0.00 7.28 2.03 -1.26 -4.17 116.55 120.82 1qr5 n ASP 10 Ca 0.00 -1.41 0.00 0.00 0.52 0.00 0.00 54.79 53.90 1qr5 n ASP 10 Cb 0.36 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1qr5 n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1qr5 n GLU 11 N -0.14 0.00 0.08 -0.67 4.71 -1.26 -3.42 120.64 119.93 1qr5 n GLU 11 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1qr5 n GLU 11 Cb 0.10 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.49 1qr5 n GLU 11 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1qr5 h THR 12 N 0.00 0.68 0.00 2.62 2.02 -1.88 -1.73 112.91 114.62 1qr5 h THR 12 Ca 0.00 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.07 1qr5 h THR 12 Cb 0.00 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1qr5 h THR 12 CO 0.00 0.39 0.00 0.61 0.37 0.00 0.00 175.52 176.89 1qr5 n GLY 13 N 1.32 2.27 2.74 2.16 0.00 -1.22 -4.31 105.19 108.15 1qr5 n GLY 13 Ca -0.04 0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1qr5 n GLY 13 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1qr5 n ILE 14 N 0.00 5.34 0.15 -0.61 0.13 -1.26 -4.81 119.36 118.31 1qr5 n ILE 14 Ca 0.00 -5.89 -0.14 0.00 -1.10 0.00 0.00 62.75 55.62 1qr5 n ILE 14 Cb 0.00 -1.65 -0.08 0.00 -0.84 0.00 0.00 39.64 37.07 1qr5 n ILE 14 CO 0.00 0.00 0.00 1.12 2.80 0.00 0.00 176.55 180.47 1qr5 h HIS 15 N 4.26 -0.31 0.00 9.51 2.07 -1.94 -3.44 115.15 125.30 1qr5 h HIS 15 Ca 0.40 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 1qr5 h HIS 15 Cb 0.42 0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.50 1qr5 h HIS 15 CO 1.17 -0.14 0.00 0.00 -3.07 0.00 0.00 177.93 175.89 1qr5 n ALA 16 N -2.27 0.00 0.16 6.11 0.00 -1.26 -4.96 120.51 118.29 1qr5 n ALA 16 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1qr5 n ALA 16 Cb 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 1qr5 n ALA 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1qr5 h ARG 17 N 0.00 -0.45 -0.10 0.00 2.43 -1.94 -2.44 114.38 111.87 1qr5 h ARG 17 Ca 0.00 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1qr5 h ARG 17 Cb 0.00 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1qr5 h ARG 17 CO 0.00 -0.15 -0.10 -1.00 -1.51 0.00 0.00 179.97 177.21 1qr5 h PRO 18 N -0.99 0.15 0.43 0.20 0.13 -1.87 -2.30 132.00 127.75 1qr5 h PRO 18 Ca -0.05 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1qr5 h PRO 18 Cb 0.51 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1qr5 h PRO 18 CO 0.08 0.26 -0.20 0.00 -0.23 0.00 0.00 178.00 177.90 1qr5 h ALA 19 N 1.76 -0.97 -0.71 -0.56 0.00 -1.80 -1.11 119.26 115.86 1qr5 h ALA 19 Ca 0.03 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 54.99 1qr5 h ALA 19 Cb 0.27 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1qr5 h ALA 19 CO 0.02 -0.93 0.49 1.79 0.00 0.00 0.00 179.25 180.61 1qr5 h THR 20 N -0.66 0.71 0.20 0.00 1.35 -1.44 -1.55 112.91 111.52 1qr5 h THR 20 Ca -0.06 -0.06 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 1qr5 h THR 20 Cb 0.44 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1qr5 h THR 20 CO 0.10 0.03 -0.10 0.24 -0.25 0.00 0.00 175.52 175.54 1qr5 h MET 21 N 0.18 -0.26 -0.85 4.72 2.86 -1.32 -2.81 114.93 117.46 1qr5 h MET 21 Ca 0.34 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 58.08 1qr5 h MET 21 Cb 1.10 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.76 1qr5 h MET 21 CO -0.06 0.04 0.55 -0.07 1.06 0.00 0.00 176.91 178.43 1qr5 h LEU 22 N -0.55 0.78 0.32 1.22 3.38 -0.24 0.31 115.31 120.53 1qr5 h LEU 22 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1qr5 h LEU 22 Cb 0.41 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1qr5 h LEU 22 CO 0.04 0.48 -0.38 0.58 0.09 0.00 0.00 178.44 179.26 1qr5 h VAL 23 N 0.88 0.22 0.42 1.22 2.07 -1.25 0.36 116.25 120.16 1qr5 h VAL 23 Ca 0.38 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.88 1qr5 h VAL 23 Cb 0.32 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1qr5 h VAL 23 CO -0.15 0.00 -0.20 -0.61 0.02 0.00 0.00 177.57 176.63 1qr5 h GLN 24 N -0.74 -0.54 0.21 1.57 4.15 -1.16 -0.11 115.11 118.49 1qr5 h GLN 24 Ca -0.02 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.45 1qr5 h GLN 24 Cb 0.69 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.46 1qr5 h GLN 24 CO -0.10 -0.23 -0.42 1.79 -1.93 0.00 0.00 178.83 177.93 1qr5 h THR 25 N -0.87 0.15 -0.39 2.39 1.35 -0.40 0.58 112.91 115.72 1qr5 h THR 25 Ca -0.06 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.83 1qr5 h THR 25 Cb 0.56 0.15 -0.03 0.00 -1.73 0.00 0.00 68.15 67.10 1qr5 h THR 25 CO 0.09 0.00 0.21 0.00 -0.25 0.00 0.00 175.52 175.58 1qr5 h ALA 26 N -0.29 0.49 -0.51 6.62 0.00 -0.38 -1.09 119.26 124.09 1qr5 h ALA 26 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1qr5 h ALA 26 Cb 0.71 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1qr5 h ALA 26 CO -0.19 -0.14 0.34 0.77 0.00 0.00 0.00 179.25 180.03 1qr5 h SER 27 N 0.43 0.53 -0.00 0.00 0.02 -0.61 0.33 113.55 114.24 1qr5 h SER 27 Ca 0.16 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1qr5 h SER 27 Cb 0.04 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1qr5 h SER 27 CO -0.10 0.37 0.00 0.11 -1.14 0.00 0.00 176.83 176.08 1qr5 h LYS 28 N 0.62 0.00 -0.51 3.45 1.57 0.11 -3.03 116.57 118.79 1qr5 h LYS 28 Ca 0.20 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 1qr5 h LYS 28 Cb 0.04 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1qr5 h LYS 28 CO -0.05 0.27 0.04 0.74 -0.57 0.00 0.00 179.45 179.89 1qr5 h PHE 29 N -0.26 0.88 0.00 -1.35 0.04 -0.71 -3.46 116.94 112.07 1qr5 h PHE 29 Ca 0.00 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1qr5 h PHE 29 Cb 0.27 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1qr5 h PHE 29 CO 0.02 0.79 0.00 -0.40 -0.60 0.00 0.00 178.31 178.11 1qr5 n ASP 30 N -4.23 0.00 -4.77 2.17 5.75 0.11 -4.09 116.55 111.49 1qr5 n ASP 30 Ca 0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.40 1qr5 n ASP 30 Cb 0.28 -0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 1qr5 n ASP 30 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1qr5 s SER 31 N -2.76 6.84 -0.53 -1.12 1.04 -1.26 -4.93 113.70 110.98 1qr5 s SER 31 Ca 0.00 2.63 -0.29 0.00 0.48 0.00 0.00 55.95 58.77 1qr5 s SER 31 Cb 0.00 -2.65 0.03 0.00 0.10 0.00 0.00 66.02 63.50 1qr5 s SER 31 CO 0.00 -0.48 1.18 -0.62 0.98 0.00 0.00 173.24 174.30 1qr5 s ASP 32 N -0.52 6.52 -0.22 7.02 -1.08 -1.13 -4.72 116.67 122.53 1qr5 s ASP 32 Ca 0.48 0.29 -0.12 0.00 -0.52 0.00 0.00 52.55 52.68 1qr5 s ASP 32 Cb -0.39 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.48 1qr5 s ASP 32 CO 0.51 -1.39 0.25 -0.63 0.52 0.00 0.00 175.17 174.43 1qr5 s ILE 33 N 4.79 5.31 -0.40 4.11 1.01 -1.25 -0.06 121.20 134.71 1qr5 s ILE 33 Ca 0.46 0.38 -0.10 0.00 0.00 0.00 0.00 60.65 61.40 1qr5 s ILE 33 Cb -0.08 -3.58 0.06 0.00 0.01 0.00 0.00 42.46 38.87 1qr5 s ILE 33 CO 0.29 0.33 0.24 0.00 0.00 0.00 0.00 174.94 175.79 1qr5 s GLN 34 N 1.02 2.69 -0.27 2.79 -2.07 0.18 -2.59 119.66 121.41 1qr5 s GLN 34 Ca 0.12 -1.32 -0.10 0.00 -1.82 0.00 0.00 55.36 52.24 1qr5 s GLN 34 Cb -0.14 -3.76 -0.05 0.00 -1.09 0.00 0.00 33.01 27.98 1qr5 s GLN 34 CO 0.05 -0.86 0.16 -1.17 -1.32 0.00 0.00 175.29 172.15 1qr5 s LEU 35 N 1.47 3.92 0.54 2.60 0.20 0.24 -1.21 118.68 126.45 1qr5 s LEU 35 Ca 0.02 -0.02 0.05 0.00 0.69 0.00 0.00 54.13 54.87 1qr5 s LEU 35 Cb -0.22 -2.08 0.05 0.00 -0.43 0.00 0.00 46.19 43.52 1qr5 s LEU 35 CO 0.04 -0.02 0.75 -1.61 -0.29 0.00 0.00 176.35 175.22 1qr5 s GLU 36 N 1.58 2.43 -0.28 1.98 8.01 0.76 -2.48 118.70 130.70 1qr5 s GLU 36 Ca 0.07 -1.14 -0.01 0.00 0.01 0.00 0.00 54.97 53.90 1qr5 s GLU 36 Cb -0.15 -2.57 0.13 0.00 -4.31 0.00 0.00 34.13 27.22 1qr5 s GLU 36 CO 0.08 -0.73 0.28 -0.47 0.01 0.00 0.00 175.26 174.43 1qr5 s TYR 37 N -2.69 -0.41 0.00 1.61 5.04 -1.04 -2.56 117.35 117.31 1qr5 s TYR 37 Ca 0.59 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 1qr5 s TYR 37 Cb -0.08 -0.47 0.00 0.00 0.35 0.00 0.00 41.96 41.75 1qr5 s TYR 37 CO 0.38 -0.89 0.00 0.27 -1.34 0.00 0.00 175.55 173.97 1qr5 n ASN 38 N 5.31 0.00 -2.43 4.32 6.94 -0.40 -1.04 115.26 127.95 1qr5 n ASN 38 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 1qr5 n ASN 38 Cb 0.46 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.93 1qr5 n ASN 38 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qr5 n GLY 39 N 0.00 1.58 3.32 4.83 0.00 -1.26 -5.07 105.19 108.59 1qr5 n GLY 39 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 1qr5 n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qr5 s LYS 40 N -2.31 1.52 -0.25 1.61 2.20 -0.21 -5.17 119.74 117.14 1qr5 s LYS 40 Ca 0.25 -1.73 -0.07 0.00 -0.36 0.00 0.00 55.97 54.07 1qr5 s LYS 40 Cb 0.34 0.34 0.12 0.00 -1.51 0.00 0.00 37.83 37.11 1qr5 s LYS 40 CO -0.08 -0.56 0.50 0.21 -0.36 0.00 0.00 175.35 175.06 1qr5 s LYS 41 N -3.75 0.43 0.26 4.03 2.36 -1.26 -2.49 119.74 119.32 1qr5 s LYS 41 Ca 0.36 1.08 -0.04 0.00 -2.55 0.00 0.00 55.97 54.82 1qr5 s LYS 41 Cb 0.04 0.40 0.02 0.00 -1.05 0.00 0.00 37.83 37.23 1qr5 s LYS 41 CO 0.18 -0.33 0.41 1.33 1.55 0.00 0.00 175.35 178.49 1qr5 n VAL 42 N 5.41 0.00 -2.94 4.02 0.24 -1.03 -4.99 118.33 119.03 1qr5 n VAL 42 Ca -0.08 -1.07 -0.40 0.00 -2.04 0.00 0.00 64.34 60.75 1qr5 n VAL 42 Cb 0.50 0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 33.55 1qr5 n VAL 42 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1qr5 s ASN 43 N -2.50 7.41 -0.35 -1.34 2.47 -1.26 -0.59 114.94 118.78 1qr5 s ASN 43 Ca 0.17 1.67 -0.03 0.00 0.42 0.00 0.00 52.86 55.10 1qr5 s ASN 43 Cb -0.02 -2.51 -0.06 0.00 -1.45 0.00 0.00 41.25 37.21 1qr5 s ASN 43 CO 0.13 0.18 1.73 -0.11 -3.72 0.00 0.00 177.10 175.30 1qr5 n LEU 44 N 1.71 2.76 0.00 3.21 7.94 -1.07 -4.48 117.00 127.07 1qr5 n LEU 44 Ca -0.05 -1.95 0.09 0.00 -1.11 0.00 0.00 56.01 52.99 1qr5 n LEU 44 Cb 0.49 -0.75 0.47 0.00 0.53 0.00 0.00 43.42 44.16 1qr5 n LEU 44 CO 0.47 0.16 0.76 1.17 -1.11 0.00 0.00 177.39 178.84 1qr5 n LYS 45 N 3.74 0.32 -4.23 1.96 4.81 -1.26 -4.90 118.16 118.60 1qr5 n LYS 45 Ca 0.24 0.09 -0.32 0.00 -0.87 0.00 0.00 58.31 57.46 1qr5 n LYS 45 Cb 0.20 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.66 1qr5 n LYS 45 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1qr5 n SER 46 N -1.22 0.24 0.00 3.14 3.41 -1.26 -4.60 113.62 113.32 1qr5 n SER 46 Ca 0.10 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 1qr5 n SER 46 Cb 0.12 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 1qr5 n SER 46 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1qr5 n ILE 47 N -4.21 0.00 0.04 -1.33 2.08 -1.26 -4.57 119.36 110.11 1qr5 n ILE 47 Ca -0.20 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 62.98 1qr5 n ILE 47 Cb 0.59 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.39 1qr5 n ILE 47 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 1qr5 h MET 48 N 0.00 -0.10 0.00 0.38 2.86 -1.98 -3.07 114.93 113.01 1qr5 h MET 48 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1qr5 h MET 48 Cb 0.00 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1qr5 h MET 48 CO 0.00 0.28 0.00 0.41 1.06 0.00 0.00 176.91 178.66 1qr5 n GLY 49 N -0.04 -2.93 0.29 8.32 0.00 -1.26 -1.87 105.19 107.71 1qr5 n GLY 49 Ca -0.08 0.06 0.19 0.00 0.00 0.00 0.00 46.02 46.19 1qr5 n GLY 49 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1qr5 n VAL 50 N -0.47 -0.37 -0.01 1.61 3.14 -1.26 -0.22 118.33 120.74 1qr5 n VAL 50 Ca 0.00 1.87 -0.11 0.00 -2.96 0.00 0.00 64.34 63.14 1qr5 n VAL 50 Cb 0.00 -2.85 -0.06 0.00 -1.06 0.00 0.00 33.84 29.87 1qr5 n VAL 50 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1qr5 h MET 51 N 0.00 0.14 -0.24 1.45 2.86 -1.57 0.35 114.93 117.92 1qr5 h MET 51 Ca 0.62 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 58.30 1qr5 h MET 51 Cb 1.46 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 33.04 1qr5 h MET 51 CO -0.76 0.20 -0.15 1.03 1.06 0.00 0.00 176.91 178.28 1qr5 h SER 52 N 0.05 -0.49 -0.19 1.22 0.87 0.14 -1.71 113.55 113.45 1qr5 h SER 52 Ca 0.04 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 1qr5 h SER 52 Cb 0.10 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1qr5 h SER 52 CO -0.01 -0.19 -0.15 0.17 -0.53 0.00 0.00 176.83 176.13 1qr5 h LEU 53 N -0.13 0.58 -0.72 2.23 -0.00 -1.42 -3.49 115.31 112.36 1qr5 h LEU 53 Ca 0.13 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1qr5 h LEU 53 Cb 0.33 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1qr5 h LEU 53 CO -0.32 0.75 0.00 0.61 -0.00 0.00 0.00 178.44 179.47 1qr5 n GLY 54 N -0.52 -0.48 2.43 0.17 0.00 0.11 -5.08 105.19 101.81 1qr5 n GLY 54 Ca 0.01 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 1qr5 n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qr5 s VAL 55 N 0.00 0.38 0.00 1.61 1.01 -1.24 -5.00 120.40 117.16 1qr5 s VAL 55 Ca 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 61.98 59.50 1qr5 s VAL 55 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1qr5 s VAL 55 CO 0.00 -1.17 0.00 0.61 0.00 0.00 0.00 175.10 174.54 1qr5 n GLY 56 N 3.10 2.20 3.72 4.51 0.00 -1.26 -4.00 105.19 113.46 1qr5 n GLY 56 Ca 0.25 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1qr5 n GLY 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qr5 s LYS 57 N 4.97 4.46 0.00 1.61 2.20 -0.65 -2.50 119.74 129.83 1qr5 s LYS 57 Ca 0.00 1.80 0.00 0.00 -0.36 0.00 0.00 55.97 57.41 1qr5 s LYS 57 Cb 0.00 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1qr5 s LYS 57 CO 0.00 -0.19 0.00 -0.25 -0.36 0.00 0.00 175.35 174.55 1qr5 n ASP 58 N 3.41 0.00 -4.69 1.43 9.92 0.39 -4.90 116.55 122.11 1qr5 n ASP 58 Ca 0.07 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.91 1qr5 n ASP 58 Cb 0.46 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.91 1qr5 n ASP 58 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qr5 s ALA 59 N -3.14 3.72 0.02 2.24 0.00 -1.04 -4.71 121.76 118.84 1qr5 s ALA 59 Ca 0.00 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1qr5 s ALA 59 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 1qr5 s ALA 59 CO 0.00 -1.17 0.36 -1.83 0.00 0.00 0.00 175.76 173.11 1qr5 s GLU 60 N 2.73 3.75 0.26 0.00 4.04 -1.26 -1.82 118.70 126.40 1qr5 s GLU 60 Ca 0.77 0.19 -0.07 0.00 0.04 0.00 0.00 54.97 55.91 1qr5 s GLU 60 Cb -0.43 -3.11 -0.01 0.00 0.02 0.00 0.00 34.13 30.60 1qr5 s GLU 60 CO 0.34 0.65 0.38 0.96 -1.84 0.00 0.00 175.26 175.75 1qr5 s ILE 61 N -1.23 0.00 -0.21 1.83 -4.36 -1.03 -1.28 121.20 114.93 1qr5 s ILE 61 Ca 0.27 -1.63 -0.05 0.00 -0.26 0.00 0.00 60.65 58.98 1qr5 s ILE 61 Cb -0.15 -2.40 0.11 0.00 1.25 0.00 0.00 42.46 41.27 1qr5 s ILE 61 CO 0.14 0.00 0.37 -0.89 0.24 0.00 0.00 174.94 174.80 1qr5 s THR 62 N -3.80 -0.58 0.02 8.37 2.01 -1.06 -2.06 115.64 118.55 1qr5 s THR 62 Ca 0.29 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 1qr5 s THR 62 Cb 0.02 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1qr5 s THR 62 CO 0.13 -0.02 0.18 -0.63 -0.69 0.00 0.00 174.62 173.59 1qr5 s ILE 63 N 2.54 5.34 -0.21 1.82 -1.09 0.15 -0.17 121.20 129.58 1qr5 s ILE 63 Ca 0.05 -0.28 -0.04 0.00 -2.23 0.00 0.00 60.65 58.16 1qr5 s ILE 63 Cb -0.14 -3.54 0.09 0.00 -1.58 0.00 0.00 42.46 37.29 1qr5 s ILE 63 CO -0.13 0.25 0.18 -0.31 -1.23 0.00 0.00 174.94 173.70 1qr5 s TYR 64 N -1.39 -0.07 -0.12 3.97 1.51 -0.35 -0.15 117.35 120.76 1qr5 s TYR 64 Ca 0.30 -0.14 -0.16 0.00 -1.01 0.00 0.00 57.07 56.06 1qr5 s TYR 64 Cb -0.13 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.13 1qr5 s TYR 64 CO 0.22 -0.64 0.41 0.00 -1.11 0.00 0.00 175.55 174.43 1qr5 s ALA 65 N 2.24 3.53 -0.56 3.71 0.00 -0.74 0.47 121.76 130.41 1qr5 s ALA 65 Ca 0.06 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.79 1qr5 s ALA 65 Cb -0.16 -2.54 0.16 0.00 0.00 0.00 0.00 23.12 20.58 1qr5 s ALA 65 CO -0.17 0.08 0.38 -0.51 0.00 0.00 0.00 175.76 175.54 1qr5 s ASP 66 N 0.40 3.77 0.00 0.00 1.11 0.92 -2.34 116.67 120.52 1qr5 s ASP 66 Ca 0.23 -3.32 0.00 0.00 0.18 0.00 0.00 52.55 49.64 1qr5 s ASP 66 Cb -0.15 -1.24 0.00 0.00 1.07 0.00 0.00 42.92 42.60 1qr5 s ASP 66 CO 0.09 -0.16 0.00 0.61 1.18 0.00 0.00 175.17 176.89 1qr5 n GLY 67 N 2.64 2.42 0.11 0.21 0.00 -1.26 -2.85 105.19 106.46 1qr5 n GLY 67 Ca 0.18 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 1qr5 n GLY 67 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qr5 h SER 68 N 0.00 -0.13 -0.69 1.61 4.64 -1.92 -3.33 113.55 113.74 1qr5 h SER 68 Ca 0.00 -0.34 -0.44 0.00 -0.47 0.00 0.00 61.79 60.54 1qr5 h SER 68 Cb 0.00 0.03 -0.18 0.00 -0.31 0.00 0.00 62.40 61.94 1qr5 h SER 68 CO 0.00 0.49 0.55 0.47 -0.87 0.00 0.00 176.83 177.47 1qr5 n ASP 69 N -4.84 6.83 0.26 4.97 8.00 -1.26 -4.53 116.55 125.98 1qr5 n ASP 69 Ca -0.06 -3.29 0.17 0.00 0.71 0.00 0.00 54.79 52.33 1qr5 n ASP 69 Cb 0.22 -1.05 0.77 0.00 -0.02 0.00 0.00 41.12 41.05 1qr5 n ASP 69 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1qr5 h GLU 70 N 1.75 0.00 0.00 -1.24 4.11 -1.87 -0.92 114.58 116.40 1qr5 h GLU 70 Ca 0.39 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.71 1qr5 h GLU 70 Cb 0.85 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1qr5 h GLU 70 CO 1.01 0.00 -0.78 0.00 0.07 0.00 0.00 179.01 179.31 1qr5 h ALA 71 N 2.04 0.12 -0.72 1.06 0.00 -1.91 -3.35 119.26 116.50 1qr5 h ALA 71 Ca 0.00 -0.79 0.13 0.00 0.00 0.00 0.00 54.91 54.25 1qr5 h ALA 71 Cb 0.34 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1qr5 h ALA 71 CO 0.00 0.53 0.48 0.22 0.00 0.00 0.00 179.25 180.48 1qr5 h ASP 72 N -1.00 0.40 0.14 0.00 1.82 -1.90 -2.74 116.42 113.13 1qr5 h ASP 72 Ca -0.16 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.51 1qr5 h ASP 72 Cb 0.86 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.78 1qr5 h ASP 72 CO -0.10 0.21 -0.39 0.00 -1.61 0.00 0.00 179.24 177.36 1qr5 h ALA 73 N 1.66 -0.91 -0.70 -0.78 0.00 -1.32 0.01 119.26 117.21 1qr5 h ALA 73 Ca 0.35 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.31 1qr5 h ALA 73 Cb 0.76 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 19.20 1qr5 h ALA 73 CO -0.11 -1.00 0.16 0.82 0.00 0.00 0.00 179.25 179.12 1qr5 h ILE 74 N -0.59 0.54 0.17 0.00 5.03 -1.62 0.67 117.51 121.70 1qr5 h ILE 74 Ca -0.01 -0.09 -0.01 0.00 -0.12 0.00 0.00 64.86 64.63 1qr5 h ILE 74 Cb 0.58 0.25 -0.00 0.00 -3.03 0.00 0.00 36.82 34.62 1qr5 h ILE 74 CO -0.19 0.05 -0.10 1.56 -0.68 0.00 0.00 178.15 178.79 1qr5 h GLN 75 N 0.26 -0.24 -0.88 2.37 4.20 -1.37 0.64 115.11 120.09 1qr5 h GLN 75 Ca 0.39 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.23 1qr5 h GLN 75 Cb 0.65 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.42 1qr5 h GLN 75 CO -0.49 -0.16 0.57 0.00 -0.67 0.00 0.00 178.83 178.07 1qr5 h ALA 76 N -1.74 1.71 -0.89 3.87 0.00 -0.82 -0.46 119.26 120.94 1qr5 h ALA 76 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1qr5 h ALA 76 Cb 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1qr5 h ALA 76 CO 0.02 0.09 0.53 0.82 0.00 0.00 0.00 179.25 180.72 1qr5 h ILE 77 N 0.81 1.24 0.26 0.00 1.08 0.48 -2.55 117.51 118.84 1qr5 h ILE 77 Ca 0.42 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1qr5 h ILE 77 Cb 0.50 -0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 1qr5 h ILE 77 CO -0.18 0.26 -0.26 0.74 -0.69 0.00 0.00 178.15 178.02 1qr5 h THR 78 N 1.22 0.45 -0.95 -0.27 2.02 0.85 0.14 112.91 116.37 1qr5 h THR 78 Ca 0.32 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.77 1qr5 h THR 78 Cb -0.05 0.45 -0.14 0.00 -1.74 0.00 0.00 68.15 66.67 1qr5 h THR 78 CO -0.06 0.00 0.46 0.44 0.37 0.00 0.00 175.52 176.73 1qr5 h ASP 79 N -0.55 0.38 0.68 4.18 3.32 -1.23 2.27 116.42 125.47 1qr5 h ASP 79 Ca -0.01 0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1qr5 h ASP 79 Cb 0.51 0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.22 1qr5 h ASP 79 CO -0.05 -0.08 -0.33 0.58 -1.72 0.00 0.00 179.24 177.64 1qr5 h VAL 80 N 0.35 0.00 -0.29 -1.35 2.07 -0.86 -1.93 116.25 114.24 1qr5 h VAL 80 Ca 0.65 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.93 1qr5 h VAL 80 Cb 1.36 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1qr5 h VAL 80 CO -0.59 0.00 0.16 -0.07 0.02 0.00 0.00 177.57 177.09 1qr5 h LEU 81 N -1.14 0.34 -1.72 2.57 3.38 0.46 -0.80 115.31 118.39 1qr5 h LEU 81 Ca -0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1qr5 h LEU 81 Cb 0.70 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1qr5 h LEU 81 CO 0.15 0.27 0.02 -1.28 0.09 0.00 0.00 178.44 177.69 1qr5 h SER 82 N 0.39 0.17 0.18 -0.43 0.87 0.38 -1.67 113.55 113.43 1qr5 h SER 82 Ca 0.10 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1qr5 h SER 82 Cb 0.00 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1qr5 h SER 82 CO -0.02 0.19 -0.07 0.11 -0.53 0.00 0.00 176.83 176.51 1qr5 h LYS 83 N 0.19 0.00 0.00 2.24 1.57 -0.31 -1.72 116.57 118.54 1qr5 h LYS 83 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1qr5 h LYS 83 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1qr5 h LYS 83 CO -0.00 0.07 -0.13 1.05 -0.57 0.00 0.00 179.45 179.87 1qr5 h GLU 84 N 0.00 0.00 0.00 3.15 4.11 -1.39 -1.69 114.58 118.76 1qr5 h GLU 84 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1qr5 h GLU 84 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1qr5 h GLU 84 CO 0.01 0.13 0.02 0.41 0.07 0.00 0.00 179.01 179.65 1qr5 n GLY 85 N -0.75 -0.85 0.30 1.06 0.00 -0.65 -1.88 105.19 102.43 1qr5 n GLY 85 Ca -0.02 0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1qr5 n GLY 85 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1qr5 h LEU 86 N 0.00 0.00 0.00 0.99 8.10 -1.49 -3.34 115.31 119.57 1qr5 h LEU 86 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1qr5 h LEU 86 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.26 1qr5 h LEU 86 CO 0.00 0.00 0.00 0.35 -4.11 0.00 0.00 178.44 174.68 1qr5 n THR 87 N -2.77 0.00 1.07 0.15 -2.24 -0.79 -5.20 114.28 104.50 1qr5 n THR 87 Ca -0.02 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.85 1qr5 n THR 87 Cb 0.29 -0.24 0.51 0.00 -2.10 0.00 0.00 70.33 68.78 1qr5 n THR 87 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71