#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qir s VAL 13 N 0.00 5.20 0.41 -3.33 1.01 -1.26 -4.58 120.40 117.86 2qir s VAL 13 Ca 0.00 0.83 0.06 0.00 0.00 0.00 0.00 61.98 62.87 2qir s VAL 13 Cb 0.00 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 2qir s VAL 13 CO 0.00 0.37 0.02 0.42 0.00 0.00 0.00 175.10 175.90 2qir s THR 14 N 0.43 1.79 -0.04 3.92 -4.23 -0.77 -4.84 115.64 111.89 2qir s THR 14 Ca 0.23 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.79 2qir s THR 14 Cb -0.15 -2.88 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 2qir s THR 14 CO 0.09 0.00 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.24 2qir s LEU 15 N -3.70 1.94 0.17 4.79 1.43 -1.26 -0.42 118.68 121.63 2qir s LEU 15 Ca 0.32 -0.35 0.09 0.00 -1.03 0.00 0.00 54.13 53.16 2qir s LEU 15 Cb 0.09 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 2qir s LEU 15 CO 0.16 0.17 -0.19 0.00 0.23 0.00 0.00 176.35 176.71 2qir s ARG 16 N -0.05 1.32 0.46 1.70 1.70 -0.70 -4.97 118.95 118.41 2qir s ARG 16 Ca -0.02 -1.42 -0.25 0.00 -0.47 0.00 0.00 55.73 53.57 2qir s ARG 16 Cb -0.11 -1.43 -0.08 0.00 -0.57 0.00 0.00 34.95 32.76 2qir s ARG 16 CO 0.02 0.30 1.41 1.28 -1.08 0.00 0.00 175.30 177.22 2qir n LEU 17 N 0.31 5.06 -4.78 -1.89 4.77 -1.26 -0.14 117.00 119.06 2qir n LEU 17 Ca -0.13 1.10 -0.37 0.00 -0.03 0.00 0.00 56.01 56.58 2qir n LEU 17 Cb 0.57 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.01 2qir n LEU 17 CO 0.29 -0.26 0.68 -0.32 -1.33 0.00 0.00 177.39 176.45 2qir s MET 18 N -2.48 4.49 0.44 3.23 -2.45 -0.59 -4.51 119.30 117.43 2qir s MET 18 Ca 0.62 1.42 0.06 0.00 -1.25 0.00 0.00 55.69 56.54 2qir s MET 18 Cb -0.45 -2.78 -0.05 0.00 1.25 0.00 0.00 34.83 32.80 2qir s MET 18 CO 0.57 0.17 0.10 0.95 1.05 0.00 0.00 175.02 177.86 2qir s THR 19 N -1.58 1.92 0.41 10.11 -4.23 -1.26 -4.85 115.64 116.16 2qir s THR 19 Ca 0.51 -1.85 0.17 0.00 -1.18 0.00 0.00 61.69 59.35 2qir s THR 19 Cb -0.21 -2.76 0.38 0.00 1.34 0.00 0.00 72.50 71.25 2qir s THR 19 CO 0.26 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 176.12 2qir h GLU 20 N 1.48 0.41 0.00 3.99 4.81 -1.98 -1.07 114.58 122.22 2qir h GLU 20 Ca -0.43 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2qir h GLU 20 Cb 1.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2qir h GLU 20 CO 0.74 0.27 0.00 0.72 -0.73 0.00 0.00 179.01 180.01 2qir n HIS 21 N -4.52 0.43 1.08 0.92 8.25 -1.26 -2.35 115.22 117.77 2qir n HIS 21 Ca 0.19 0.19 0.12 0.00 -0.26 0.00 0.00 57.72 57.96 2qir n HIS 21 Cb 0.69 -0.81 0.12 0.00 1.12 0.00 0.00 29.99 31.11 2qir n HIS 21 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2qir n ASP 22 N -1.91 1.82 -0.20 0.41 8.00 -0.40 -4.63 116.55 119.64 2qir n ASP 22 Ca 0.01 -1.39 -0.08 0.00 0.71 0.00 0.00 54.79 54.04 2qir n ASP 22 Cb 0.13 0.35 0.02 0.00 -0.02 0.00 0.00 41.12 41.60 2qir n ASP 22 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2qir h LEU 23 N 2.27 0.82 -0.87 0.64 3.38 -1.58 -0.73 115.31 119.23 2qir h LEU 23 Ca 0.00 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2qir h LEU 23 Cb 0.70 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2qir h LEU 23 CO 0.00 0.81 0.24 0.00 0.09 0.00 0.00 178.44 179.58 2qir h ALA 24 N 1.03 1.09 -0.45 1.53 0.00 -1.82 0.80 119.26 121.45 2qir h ALA 24 Ca 0.18 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2qir h ALA 24 Cb 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2qir h ALA 24 CO -0.00 0.63 0.02 1.98 0.00 0.00 0.00 179.25 181.87 2qir h MET 25 N 1.03 0.77 -0.86 0.00 1.85 -1.78 -2.15 114.93 113.80 2qir h MET 25 Ca 0.23 -0.24 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2qir h MET 25 Cb 0.26 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.18 2qir h MET 25 CO -0.01 0.83 0.53 1.25 -0.40 0.00 0.00 176.91 179.10 2qir h LEU 26 N 0.62 1.03 -0.67 3.39 5.85 -0.80 -2.01 115.31 122.73 2qir h LEU 26 Ca 0.13 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2qir h LEU 26 Cb 0.46 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2qir h LEU 26 CO 0.02 0.79 0.41 0.22 -0.34 0.00 0.00 178.44 179.53 2qir h TYR 27 N 1.19 0.75 0.06 1.25 3.20 -0.68 -0.15 116.97 122.60 2qir h TYR 27 Ca 0.31 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 2qir h TYR 27 Cb -0.06 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 37.97 2qir h TYR 27 CO -0.00 0.41 -0.03 1.49 -1.64 0.00 0.00 178.16 178.39 2qir h GLU 28 N 0.78 -0.08 -0.79 1.82 4.81 -0.99 -3.07 114.58 117.07 2qir h GLU 28 Ca 0.28 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.62 2qir h GLU 28 Cb 0.07 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.39 2qir h GLU 28 CO -0.13 -0.03 0.43 -1.49 -0.73 0.00 0.00 179.01 177.06 2qir h TRP 29 N -0.11 0.76 0.00 0.92 6.55 -0.83 -1.99 115.95 121.25 2qir h TRP 29 Ca -0.01 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.86 2qir h TRP 29 Cb 0.09 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.16 2qir h TRP 29 CO -0.07 0.28 0.00 1.28 -1.05 0.00 0.00 178.44 178.88 2qir n LEU 30 N -4.81 0.00 -0.42 -4.49 4.77 -0.12 -1.63 117.00 110.31 2qir n LEU 30 Ca 0.13 0.04 0.05 0.00 -0.03 0.00 0.00 56.01 56.20 2qir n LEU 30 Cb 0.30 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.41 2qir n LEU 30 CO 0.25 -0.02 0.45 0.59 -1.33 0.00 0.00 177.39 177.34 2qir n ASN 31 N -1.04 2.05 -4.74 -1.43 4.13 -0.76 -4.48 115.26 108.99 2qir n ASN 31 Ca 0.15 -1.55 -0.41 0.00 1.68 0.00 0.00 54.58 54.45 2qir n ASN 31 Cb 0.08 -0.05 -0.04 0.00 -1.54 0.00 0.00 39.78 38.23 2qir n ASN 31 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2qir s ARG 32 N -0.85 4.67 0.46 3.52 0.52 -0.64 -4.90 118.95 121.73 2qir s ARG 32 Ca 0.13 1.61 0.26 0.00 -0.52 0.00 0.00 55.73 57.21 2qir s ARG 32 Cb 0.09 -3.30 0.98 0.00 0.52 0.00 0.00 34.95 33.24 2qir s ARG 32 CO 0.12 0.20 1.85 0.66 0.02 0.00 0.00 175.30 178.15 2qir h SER 33 N 4.96 0.00 0.73 0.23 4.64 -1.94 -0.75 113.55 121.42 2qir h SER 33 Ca -0.44 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 2qir h SER 33 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2qir h SER 33 CO 0.71 0.18 -0.21 1.12 -0.87 0.00 0.00 176.83 177.77 2qir h HIS 34 N 0.00 0.00 0.00 4.77 2.07 -1.94 -2.78 115.15 117.26 2qir h HIS 34 Ca -0.00 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.33 2qir h HIS 34 Cb 0.72 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.67 2qir h HIS 34 CO 0.00 0.21 -1.03 0.82 -3.07 0.00 0.00 177.93 174.85 2qir h ILE 35 N 0.00 0.96 -1.01 6.12 2.04 -1.49 -3.37 117.51 120.76 2qir h ILE 35 Ca -0.00 -2.11 0.29 0.00 1.00 0.00 0.00 64.86 64.04 2qir h ILE 35 Cb 0.63 2.21 -0.14 0.00 -0.74 0.00 0.00 36.82 38.78 2qir h ILE 35 CO 0.03 0.33 0.59 0.58 0.00 0.00 0.00 178.15 179.68 2qir h VAL 36 N -1.00 0.40 -0.07 1.67 2.07 -1.27 0.20 116.25 118.25 2qir h VAL 36 Ca -0.28 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 2qir h VAL 36 Cb 1.20 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2qir h VAL 36 CO -0.17 0.08 -0.21 1.05 0.02 0.00 0.00 177.57 178.34 2qir h GLU 37 N 0.43 0.12 0.00 1.57 4.11 -1.66 -3.26 114.58 115.89 2qir h GLU 37 Ca 0.69 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 60.10 2qir h GLU 37 Cb 1.51 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2qir h GLU 37 CO -0.53 0.32 -1.44 0.91 0.07 0.00 0.00 179.01 178.34 2qir n TRP 38 N -4.25 0.00 0.00 2.06 7.02 -0.62 -5.15 117.44 116.50 2qir n TRP 38 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 2qir n TRP 38 Cb 0.30 -0.25 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 2qir n TRP 38 CO 0.00 0.00 0.00 1.87 -2.02 0.00 0.00 177.69 177.54 2qir n TRP 39 N -1.85 0.00 -0.04 -5.99 -0.00 0.61 -5.06 117.44 105.11 2qir n TRP 39 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.44 2qir n TRP 39 Cb 0.31 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.61 2qir n TRP 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2qir n ALA 44 N -3.00 0.99 -3.90 5.87 0.00 -1.26 -4.83 120.51 114.38 2qir n ALA 44 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 53.44 52.63 2qir n ALA 44 Cb 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.36 2qir n ALA 44 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qir s ARG 45 N -2.13 1.81 0.36 0.00 0.52 -1.26 -4.85 118.95 113.40 2qir s ARG 45 Ca -0.15 -2.47 -0.26 0.00 -0.52 0.00 0.00 55.73 52.33 2qir s ARG 45 Cb 0.02 -3.10 -0.09 0.00 0.52 0.00 0.00 34.95 32.30 2qir s ARG 45 CO 0.23 -1.12 1.04 -1.25 0.02 0.00 0.00 175.30 174.22 2qir s PRO 46 N -0.12 4.36 0.84 3.54 0.04 -1.26 -5.03 135.00 137.36 2qir s PRO 46 Ca 0.17 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 2qir s PRO 46 Cb -0.25 -2.74 0.09 0.00 0.04 0.00 0.00 34.50 31.63 2qir s PRO 46 CO -0.00 0.03 1.09 0.95 0.04 0.00 0.00 177.00 179.12 2qir s THR 47 N -1.54 2.91 0.21 1.26 -4.23 -1.26 -4.86 115.64 108.14 2qir s THR 47 Ca 0.53 0.30 -0.10 0.00 -1.18 0.00 0.00 61.69 61.24 2qir s THR 47 Cb -0.23 -2.93 0.17 0.00 1.34 0.00 0.00 72.50 70.85 2qir s THR 47 CO 0.30 -0.39 1.69 0.25 -0.54 0.00 0.00 174.62 175.93 2qir h LEU 48 N -1.27 -0.09 -1.01 4.79 5.85 -1.96 -1.85 115.31 119.78 2qir h LEU 48 Ca -0.48 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 2qir h LEU 48 Cb 1.27 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 2qir h LEU 48 CO 0.57 -0.04 0.30 0.00 -0.34 0.00 0.00 178.44 178.94 2qir h ALA 49 N 1.51 1.22 -0.17 1.25 0.00 -1.99 -0.88 119.26 120.20 2qir h ALA 49 Ca 0.32 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2qir h ALA 49 Cb 0.50 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2qir h ALA 49 CO -0.44 0.58 -0.23 -0.44 0.00 0.00 0.00 179.25 178.72 2qir h ASP 50 N 0.99 -0.72 -0.83 0.00 3.32 -1.72 -0.68 116.42 116.79 2qir h ASP 50 Ca 0.24 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 2qir h ASP 50 Cb 0.15 0.33 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 2qir h ASP 50 CO -0.02 -0.27 0.52 0.58 -1.72 0.00 0.00 179.24 178.32 2qir h VAL 51 N -0.27 1.23 -0.35 -1.35 2.07 -0.99 -0.07 116.25 116.52 2qir h VAL 51 Ca 0.11 -0.47 -0.13 0.00 0.82 0.00 0.00 66.70 67.04 2qir h VAL 51 Cb 0.44 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2qir h VAL 51 CO -0.33 0.23 -0.30 1.56 0.02 0.00 0.00 177.57 178.75 2qir h GLN 52 N 1.13 0.76 -0.05 1.57 4.20 -0.86 0.06 115.11 121.93 2qir h GLN 52 Ca 0.30 -0.35 -0.25 0.00 0.06 0.00 0.00 58.65 58.41 2qir h GLN 52 Cb -0.07 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 27.71 2qir h GLN 52 CO -0.06 0.97 -0.94 0.93 -0.67 0.00 0.00 178.83 179.06 2qir h GLU 53 N 0.65 0.71 0.05 1.46 5.08 -0.93 -3.27 114.58 118.32 2qir h GLU 53 Ca 0.07 -0.69 -0.31 0.00 -1.00 0.00 0.00 59.36 57.43 2qir h GLU 53 Cb 0.83 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 2qir h GLU 53 CO 0.07 1.28 -1.77 1.96 -1.00 0.00 0.00 179.01 179.56 2qir h GLN 54 N 0.43 0.10 -0.30 2.33 4.20 -0.98 -3.40 115.11 117.50 2qir h GLN 54 Ca -0.10 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2qir h GLN 54 Cb 1.58 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.43 2qir h GLN 54 CO 0.19 0.78 0.00 0.66 -0.67 0.00 0.00 178.83 179.79 2qir n TYR 55 N -3.22 0.39 -1.74 2.96 4.01 0.00 -4.35 117.16 115.20 2qir n TYR 55 Ca -0.21 -0.31 -0.42 0.00 -0.16 0.00 0.00 57.90 56.80 2qir n TYR 55 Cb 1.05 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 40.04 2qir n TYR 55 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2qir s LEU 56 N -1.10 4.39 0.30 7.72 2.96 -1.23 -4.79 118.68 126.93 2qir s LEU 56 Ca 0.26 2.74 0.07 0.00 -0.22 0.00 0.00 54.13 56.97 2qir s LEU 56 Cb 0.15 -3.57 0.81 0.00 0.50 0.00 0.00 46.19 44.08 2qir s LEU 56 CO 0.20 -0.99 1.71 -0.65 -1.32 0.00 0.00 176.35 175.31 2qir h PRO 57 N 8.44 0.47 -0.01 0.98 0.11 -1.91 0.22 132.00 140.31 2qir h PRO 57 Ca -0.45 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 2qir h PRO 57 Cb 1.21 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2qir h PRO 57 CO 0.95 0.31 -0.32 0.66 -0.21 0.00 0.00 178.00 179.38 2qir h SER 58 N 0.48 0.01 -0.08 -2.05 4.64 -1.95 0.16 113.55 114.76 2qir h SER 58 Ca 0.60 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.85 2qir h SER 58 Cb 1.15 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2qir h SER 58 CO -0.50 0.34 -0.22 0.58 -0.87 0.00 0.00 176.83 176.15 2qir h VAL 59 N 0.01 1.41 -0.94 0.95 2.07 -1.00 -3.25 116.25 115.51 2qir h VAL 59 Ca -0.00 -1.56 0.07 0.00 0.82 0.00 0.00 66.70 66.03 2qir h VAL 59 Cb 0.58 2.23 -0.07 0.00 -1.52 0.00 0.00 31.29 32.51 2qir h VAL 59 CO 0.04 0.45 0.59 -0.07 0.02 0.00 0.00 177.57 178.60 2qir h LEU 60 N -0.19 0.93 -1.65 2.57 3.38 -0.85 -2.21 115.31 117.28 2qir h LEU 60 Ca -0.00 0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.29 2qir h LEU 60 Cb 0.83 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 2qir h LEU 60 CO 0.05 0.58 0.74 0.00 0.09 0.00 0.00 178.44 179.89 2qir h ALA 61 N 1.45 2.63 0.00 1.53 0.00 -0.67 -0.12 119.26 124.07 2qir h ALA 61 Ca 0.42 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 2qir h ALA 61 Cb 0.22 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qir h ALA 61 CO -0.19 -1.00 -0.15 1.96 0.00 0.00 0.00 179.25 179.87 2qir h GLN 62 N 0.21 0.00 -0.53 0.00 1.08 -1.44 -2.40 115.11 112.03 2qir h GLN 62 Ca 0.58 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.78 2qir h GLN 62 Cb 1.84 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.27 2qir h GLN 62 CO -0.17 0.15 0.00 0.39 -0.95 0.00 0.00 178.83 178.25 2qir n GLU 63 N -3.32 3.60 -2.87 1.46 4.71 -0.14 -4.95 120.64 119.14 2qir n GLU 63 Ca 0.00 -2.80 -0.18 0.00 -0.01 0.00 0.00 57.16 54.17 2qir n GLU 63 Cb 0.38 -1.84 0.03 0.00 -1.01 0.00 0.00 31.44 29.00 2qir n GLU 63 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2qir n SER 64 N 0.70 -5.20 -4.58 1.62 7.64 -0.90 -4.52 113.62 108.37 2qir n SER 64 Ca 0.23 -0.23 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2qir n SER 64 Cb 0.86 -4.04 -0.11 0.00 -1.01 0.00 0.00 64.21 59.91 2qir n SER 64 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2qir s VAL 65 N -3.05 4.11 -0.23 0.44 1.01 -0.73 -2.14 120.40 119.80 2qir s VAL 65 Ca 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 2qir s VAL 65 Cb -0.11 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.52 2qir s VAL 65 CO 0.30 0.53 -0.09 -0.89 0.00 0.00 0.00 175.10 174.96 2qir s THR 66 N -0.09 2.74 0.19 3.92 2.01 0.24 -3.27 115.64 121.38 2qir s THR 66 Ca 0.03 -0.99 -0.21 0.00 0.31 0.00 0.00 61.69 60.83 2qir s THR 66 Cb -0.13 -2.35 -0.08 0.00 0.01 0.00 0.00 72.50 69.95 2qir s THR 66 CO 0.02 0.27 0.72 -2.16 -0.69 0.00 0.00 174.62 172.78 2qir s PRO 67 N 1.32 4.33 0.13 4.92 0.04 -1.26 -1.23 135.00 143.24 2qir s PRO 67 Ca 0.01 0.92 0.04 0.00 0.04 0.00 0.00 61.00 62.01 2qir s PRO 67 Cb -0.16 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2qir s PRO 67 CO -0.06 0.47 -0.09 0.71 0.04 0.00 0.00 177.00 178.07 2qir s TYR 68 N -1.37 1.16 -0.17 0.56 2.02 0.24 -1.55 117.35 118.25 2qir s TYR 68 Ca 0.39 -0.77 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 2qir s TYR 68 Cb -0.19 -0.61 -0.01 0.00 -0.40 0.00 0.00 41.96 40.75 2qir s TYR 68 CO 0.22 0.02 -0.09 0.42 -1.57 0.00 0.00 175.55 174.55 2qir s ILE 69 N -3.24 3.22 -0.01 2.71 -1.09 0.80 -1.65 121.20 121.93 2qir s ILE 69 Ca 0.14 -0.58 -0.30 0.00 -2.23 0.00 0.00 60.65 57.68 2qir s ILE 69 Cb 0.02 -2.40 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 2qir s ILE 69 CO -0.01 0.49 0.97 0.00 -1.23 0.00 0.00 174.94 175.16 2qir s ALA 70 N 0.79 3.19 0.02 9.38 0.00 -0.24 -1.71 121.76 133.18 2qir s ALA 70 Ca -0.04 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.48 2qir s ALA 70 Cb -0.15 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2qir s ALA 70 CO 0.01 -0.26 -0.13 -1.64 0.00 0.00 0.00 175.76 173.74 2qir s MET 71 N 1.09 2.30 -0.21 0.00 -1.94 0.45 -0.34 119.30 120.65 2qir s MET 71 Ca 0.51 -0.85 -0.04 0.00 -1.71 0.00 0.00 55.69 53.60 2qir s MET 71 Cb -0.21 -2.33 0.11 0.00 2.01 0.00 0.00 34.83 34.42 2qir s MET 71 CO 0.27 0.57 0.33 -1.17 -0.01 0.00 0.00 175.02 175.01 2qir s LEU 72 N -1.35 -0.46 -1.45 -0.03 2.96 0.34 -1.84 118.68 116.85 2qir s LEU 72 Ca 0.15 0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 54.23 2qir s LEU 72 Cb -0.11 0.91 0.05 0.00 0.50 0.00 0.00 46.19 47.55 2qir s LEU 72 CO 0.06 -0.29 0.96 0.59 -1.32 0.00 0.00 176.35 176.35 2qir n ASN 73 N 5.35 -4.25 0.00 3.68 3.02 -1.26 -2.15 115.26 119.65 2qir n ASN 73 Ca -0.05 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 2qir n ASN 73 Cb 0.50 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 2qir n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qir n GLY 74 N -1.71 1.94 3.60 7.41 0.00 -1.26 -5.02 105.19 110.16 2qir n GLY 74 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2qir n GLY 74 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qir s GLU 75 N -0.11 3.00 0.04 1.61 0.41 -0.91 -5.09 118.70 117.64 2qir s GLU 75 Ca 0.00 -0.49 -0.30 0.00 -0.41 0.00 0.00 54.97 53.76 2qir s GLU 75 Cb 0.00 -2.72 -0.07 0.00 -1.78 0.00 0.00 34.13 29.56 2qir s GLU 75 CO 0.00 0.60 1.46 -1.25 -0.49 0.00 0.00 175.26 175.58 2qir s PRO 76 N -0.63 4.27 0.00 0.39 0.04 -1.26 -0.50 135.00 137.30 2qir s PRO 76 Ca 0.10 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2qir s PRO 76 Cb -0.12 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.90 2qir s PRO 76 CO 0.02 -0.59 0.31 0.44 0.04 0.00 0.00 177.00 177.21 2qir n ILE 77 N 4.56 0.00 -3.98 0.56 -5.35 0.54 -4.95 119.36 110.74 2qir n ILE 77 Ca 0.14 -0.45 0.03 0.00 -0.27 0.00 0.00 62.75 62.20 2qir n ILE 77 Cb 0.43 1.07 0.01 0.00 -1.74 0.00 0.00 39.64 39.41 2qir n ILE 77 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2qir s GLY 78 N -0.29 -0.18 0.03 3.28 0.00 -1.19 -0.00 107.32 108.97 2qir s GLY 78 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 44.72 44.91 2qir s GLY 78 CO 0.00 5.75 -0.16 -0.47 0.00 0.00 0.00 173.10 178.23 2qir s TYR 79 N -2.03 1.38 0.11 1.90 5.04 -0.63 -1.08 117.35 122.03 2qir s TYR 79 Ca 0.30 -0.34 -0.04 0.00 -2.44 0.00 0.00 57.07 54.55 2qir s TYR 79 Cb 0.00 -0.83 -0.03 0.00 0.35 0.00 0.00 41.96 41.45 2qir s TYR 79 CO -0.02 0.04 0.10 0.00 -1.34 0.00 0.00 175.55 174.33 2qir s ALA 80 N -0.75 0.39 -0.01 3.97 0.00 -0.66 -0.73 121.76 123.98 2qir s ALA 80 Ca 0.04 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 2qir s ALA 80 Cb -0.08 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.68 2qir s ALA 80 CO 0.01 -0.49 0.01 -0.65 0.00 0.00 0.00 175.76 174.65 2qir s GLN 81 N -3.96 0.00 0.18 0.00 -0.21 0.14 -0.59 119.66 115.21 2qir s GLN 81 Ca 0.14 0.05 0.09 0.00 0.02 0.00 0.00 55.36 55.67 2qir s GLN 81 Cb 0.06 -0.05 -0.04 0.00 1.00 0.00 0.00 33.01 33.98 2qir s GLN 81 CO -0.04 -0.04 -0.14 -1.54 -2.12 0.00 0.00 175.29 171.41 2qir s SER 82 N 0.24 4.03 -0.01 5.90 1.04 -0.37 -1.74 113.70 122.79 2qir s SER 82 Ca -0.02 -0.64 -0.11 0.00 0.48 0.00 0.00 55.95 55.65 2qir s SER 82 Cb -0.03 -0.59 0.01 0.00 0.10 0.00 0.00 66.02 65.51 2qir s SER 82 CO -0.01 0.11 0.23 -0.72 0.98 0.00 0.00 173.24 173.84 2qir s TYR 83 N -1.64 -0.09 -0.45 5.02 -0.85 -0.52 -0.59 117.35 118.23 2qir s TYR 83 Ca 0.23 0.11 -0.27 0.00 -0.52 0.00 0.00 57.07 56.62 2qir s TYR 83 Cb -0.09 0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.31 2qir s TYR 83 CO 0.13 -0.33 1.02 0.08 -1.52 0.00 0.00 175.55 174.93 2qir s VAL 84 N -1.29 4.38 0.15 -3.49 1.01 -0.91 -0.96 120.40 119.28 2qir s VAL 84 Ca -0.14 1.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.70 2qir s VAL 84 Cb -0.06 -4.49 0.01 0.00 0.00 0.00 0.00 36.38 31.84 2qir s VAL 84 CO 0.03 -0.86 1.73 0.00 0.00 0.00 0.00 175.10 176.00 2qir h ALA 85 N 9.04 0.34 -0.17 5.51 0.00 -1.85 -0.13 119.26 131.99 2qir h ALA 85 Ca -0.23 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2qir h ALA 85 Cb 1.07 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2qir h ALA 85 CO 1.06 -0.33 0.16 1.25 0.00 0.00 0.00 179.25 181.39 2qir h LEU 86 N 0.19 0.00 -1.53 0.00 5.85 -1.81 -2.60 115.31 115.41 2qir h LEU 86 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2qir h LEU 86 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2qir h LEU 86 CO -0.19 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.52 2qir n GLY 87 N -1.46 1.13 0.11 3.75 0.00 -0.07 -4.58 105.19 104.07 2qir n GLY 87 Ca 0.01 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 2qir n GLY 87 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2qir h SER 88 N 1.82 0.36 -0.15 1.61 0.02 -1.42 -3.40 113.55 112.39 2qir h SER 88 Ca 0.00 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 2qir h SER 88 Cb 0.70 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2qir h SER 88 CO 0.08 1.45 0.00 0.61 -1.14 0.00 0.00 176.83 177.83 2qir n GLY 89 N 1.68 0.65 3.00 -3.77 0.00 -1.26 -4.82 105.19 100.66 2qir n GLY 89 Ca -0.19 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2qir n GLY 89 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qir n ASP 90 N -3.03 0.00 0.00 1.61 5.68 -1.26 -0.99 116.55 118.56 2qir n ASP 90 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2qir n ASP 90 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2qir n ASP 90 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qir n GLY 91 N -0.83 1.20 3.69 6.12 0.00 -1.26 -4.91 105.19 109.21 2qir n GLY 91 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2qir n GLY 91 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qir s TRP 92 N -2.92 3.45 -1.41 1.61 0.52 -0.16 -4.40 118.94 115.64 2qir s TRP 92 Ca 0.00 1.00 -0.00 0.00 0.02 0.00 0.00 56.10 57.12 2qir s TRP 92 Cb 0.00 -2.75 0.00 0.00 -1.15 0.00 0.00 33.47 29.57 2qir s TRP 92 CO 0.00 -0.04 0.43 0.91 0.02 0.00 0.00 176.95 178.27 2qir n TRP 93 N 4.45 -1.66 0.29 -1.98 7.02 -1.26 -4.10 117.44 120.21 2qir n TRP 93 Ca -0.02 0.75 0.18 0.00 -1.02 0.00 0.00 57.50 57.38 2qir n TRP 93 Cb 0.50 -3.76 0.88 0.00 -2.42 0.00 0.00 31.31 26.52 2qir n TRP 93 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 2qir h GLU 94 N -1.83 0.00 -0.02 -0.99 4.39 -1.92 -2.60 114.58 111.60 2qir h GLU 94 Ca -0.63 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.07 2qir h GLU 94 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 2qir h GLU 94 CO 0.62 0.04 -0.07 0.39 -1.16 0.00 0.00 179.01 178.83 2qir n GLU 95 N -3.24 1.84 -2.35 2.33 -0.58 -1.26 -4.92 120.64 112.46 2qir n GLU 95 Ca -0.01 -1.36 -0.41 0.00 -0.42 0.00 0.00 57.16 54.96 2qir n GLU 95 Cb 0.21 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 2qir n GLU 95 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2qir s GLU 96 N -2.10 4.51 0.00 3.49 2.56 -0.98 -4.92 118.70 121.26 2qir s GLU 96 Ca 0.30 1.93 0.00 0.00 0.00 0.00 0.00 54.97 57.20 2qir s GLU 96 Cb 0.20 -3.19 0.00 0.00 2.00 0.00 0.00 34.13 33.14 2qir s GLU 96 CO 0.36 -0.03 0.00 0.25 -0.56 0.00 0.00 175.26 175.28 2qir n THR 97 N 1.83 0.00 -3.42 -1.70 -2.24 -1.26 -4.90 114.28 102.59 2qir n THR 97 Ca 0.02 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 2qir n THR 97 Cb 0.44 0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 2qir n THR 97 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qir s ASP 98 N -1.05 6.14 0.16 3.42 2.15 -1.26 -4.95 116.67 121.28 2qir s ASP 98 Ca 0.00 -0.70 0.16 0.00 0.43 0.00 0.00 52.55 52.43 2qir s ASP 98 Cb 0.00 -2.18 0.74 0.00 -0.30 0.00 0.00 42.92 41.18 2qir s ASP 98 CO 0.00 -0.45 1.48 -0.81 -0.17 0.00 0.00 175.17 175.22 2qir n PRO 99 N 5.31 0.09 0.00 4.34 -0.04 -1.26 -2.42 135.00 141.03 2qir n PRO 99 Ca -0.10 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 2qir n PRO 99 Cb 0.48 -1.74 0.48 0.00 -0.04 0.00 0.00 33.50 32.68 2qir n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qir n GLY 100 N -0.71 -1.42 3.73 0.55 0.00 -1.26 -4.87 105.19 101.20 2qir n GLY 100 Ca 0.01 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2qir n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qir s VAL 101 N -3.00 4.05 0.09 1.61 1.01 -1.02 -1.73 120.40 121.41 2qir s VAL 101 Ca 0.13 1.64 0.09 0.00 0.00 0.00 0.00 61.98 63.84 2qir s VAL 101 Cb 0.18 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2qir s VAL 101 CO 0.59 0.22 -0.23 -0.13 0.00 0.00 0.00 175.10 175.55 2qir s ARG 102 N 0.22 1.74 0.23 2.72 1.81 -0.39 -2.70 118.95 122.58 2qir s ARG 102 Ca 0.52 -1.17 0.10 0.00 -1.72 0.00 0.00 55.73 53.46 2qir s ARG 102 Cb -0.28 -2.03 -0.04 0.00 -0.45 0.00 0.00 34.95 32.14 2qir s ARG 102 CO 0.32 0.49 -0.06 0.20 -0.68 0.00 0.00 175.30 175.58 2qir s GLY 103 N -1.73 1.71 0.08 -3.53 0.00 -0.14 0.57 107.32 104.28 2qir s GLY 103 Ca 0.14 -1.61 0.05 0.00 0.00 0.00 0.00 44.72 43.31 2qir s GLY 103 CO 0.06 -1.66 -0.14 -0.26 0.00 0.00 0.00 173.10 171.10 2qir s ILE 104 N -2.11 1.17 0.04 0.90 -4.36 -0.55 -1.44 121.20 114.85 2qir s ILE 104 Ca 0.29 -1.41 0.00 0.00 -0.26 0.00 0.00 60.65 59.27 2qir s ILE 104 Cb -0.07 -1.19 -0.03 0.00 1.25 0.00 0.00 42.46 42.42 2qir s ILE 104 CO 0.18 -0.27 -0.04 -1.81 0.24 0.00 0.00 174.94 173.24 2qir s ASP 105 N -1.91 0.45 0.09 4.36 1.01 -0.71 -4.60 116.67 115.35 2qir s ASP 105 Ca 0.01 -0.69 -0.26 0.00 0.71 0.00 0.00 52.55 52.32 2qir s ASP 105 Cb -0.09 0.12 0.08 0.00 1.01 0.00 0.00 42.92 44.04 2qir s ASP 105 CO 0.02 -0.39 0.86 0.00 0.21 0.00 0.00 175.17 175.87 2qir s GLN 106 N -2.36 1.07 0.01 8.23 0.00 -1.26 -0.69 119.66 124.66 2qir s GLN 106 Ca -0.07 -0.49 -0.14 0.00 -0.00 0.00 0.00 55.36 54.67 2qir s GLN 106 Cb -0.04 0.43 0.02 0.00 0.00 0.00 0.00 33.01 33.43 2qir s GLN 106 CO -0.04 -0.48 0.29 -0.48 0.00 0.00 0.00 175.29 174.59 2qir s LEU 107 N -2.70 0.92 -0.16 2.60 0.05 0.09 -5.00 118.68 114.49 2qir s LEU 107 Ca 0.07 -0.05 -0.07 0.00 0.05 0.00 0.00 54.13 54.13 2qir s LEU 107 Cb -0.01 1.26 -0.04 0.00 -2.05 0.00 0.00 46.19 45.34 2qir s LEU 107 CO -0.05 -0.51 0.08 -0.76 -0.55 0.00 0.00 176.35 174.56 2qir s LEU 108 N -1.64 3.94 0.23 1.48 1.43 -1.26 -1.61 118.68 121.24 2qir s LEU 108 Ca -0.10 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2qir s LEU 108 Cb -0.03 -1.99 0.24 0.00 0.03 0.00 0.00 46.19 44.44 2qir s LEU 108 CO 0.01 0.23 1.61 0.00 0.23 0.00 0.00 176.35 178.44 2qir h ALA 109 N 6.26 0.89 -3.00 4.21 0.00 -0.79 -3.44 119.26 123.38 2qir h ALA 109 Ca -0.42 -0.42 -0.66 0.00 0.00 0.00 0.00 54.91 53.41 2qir h ALA 109 Cb 1.18 -0.11 -0.27 0.00 0.00 0.00 0.00 17.79 18.59 2qir h ALA 109 CO 0.68 0.63 -0.69 -0.80 0.00 0.00 0.00 179.25 179.07 2qir s ASN 110 N -6.84 4.58 0.43 0.00 0.01 -1.26 -4.97 114.94 106.89 2qir s ASN 110 Ca -0.07 -0.41 0.16 0.00 -0.71 0.00 0.00 52.86 51.83 2qir s ASN 110 Cb 0.13 -1.79 1.07 0.00 0.41 0.00 0.00 41.25 41.07 2qir s ASN 110 CO 0.82 -0.05 1.93 0.00 -1.51 0.00 0.00 177.10 178.29 2qir h ALA 111 N 8.15 2.13 0.00 0.60 0.00 -1.99 -0.40 119.26 127.75 2qir h ALA 111 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2qir h ALA 111 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2qir h ALA 111 CO 0.60 -0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.39 2qir n SER 112 N -4.47 0.00 -0.36 0.00 3.41 -1.26 -2.49 113.62 108.46 2qir n SER 112 Ca 0.14 -0.16 0.03 0.00 -0.26 0.00 0.00 58.87 58.62 2qir n SER 112 Cb 0.52 -0.19 0.07 0.00 -0.26 0.00 0.00 64.21 64.35 2qir n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qir n GLN 113 N -1.19 1.82 -2.49 4.33 6.02 -0.16 -5.02 117.38 120.69 2qir n GLN 113 Ca 0.10 -1.50 -0.37 0.00 -0.01 0.00 0.00 57.00 55.22 2qir n GLN 113 Cb 0.12 -1.16 -0.04 0.00 1.02 0.00 0.00 30.24 30.18 2qir n GLN 113 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2qir s LEU 114 N -0.84 4.17 -1.52 1.08 1.43 -1.04 -3.91 118.68 118.05 2qir s LEU 114 Ca 0.12 2.11 -0.01 0.00 -1.03 0.00 0.00 54.13 55.32 2qir s LEU 114 Cb 0.07 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 42.16 2qir s LEU 114 CO 0.09 -0.52 0.11 0.61 0.23 0.00 0.00 176.35 176.87 2qir n GLY 115 N 0.45 -0.38 0.27 -3.19 0.00 -1.26 -4.91 105.19 96.17 2qir n GLY 115 Ca 0.05 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.06 2qir n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qir n LYS 116 N -2.92 1.31 -0.74 1.61 5.02 -1.25 -4.99 118.16 116.20 2qir n LYS 116 Ca -0.19 -2.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.36 2qir n LYS 116 Cb 0.65 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 2qir n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qir n GLY 117 N -1.26 1.45 0.21 0.72 0.00 -1.26 -4.92 105.19 100.13 2qir n GLY 117 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 2qir n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qir h LEU 118 N 0.00 0.36 -0.88 0.99 3.38 -1.94 -2.71 115.31 114.51 2qir h LEU 118 Ca 0.00 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2qir h LEU 118 Cb 0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2qir h LEU 118 CO 0.00 0.70 0.19 1.23 0.09 0.00 0.00 178.44 180.65 2qir h GLY 119 N 1.11 1.09 0.96 0.83 0.00 -1.91 -0.25 103.07 104.90 2qir h GLY 119 Ca 0.04 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 2qir h GLY 119 CO 0.06 0.59 0.01 -0.84 0.00 0.00 0.00 176.54 176.37 2qir h THR 120 N 0.98 1.26 -0.54 4.70 2.02 -1.80 -0.54 112.91 118.99 2qir h THR 120 Ca 0.21 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 2qir h THR 120 Cb 0.30 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2qir h THR 120 CO -0.01 0.34 0.18 0.11 0.37 0.00 0.00 175.52 176.52 2qir h LYS 121 N 0.58 0.82 0.12 6.66 1.57 -1.31 -0.41 116.57 124.59 2qir h LYS 121 Ca 0.12 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2qir h LYS 121 Cb 0.46 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2qir h LYS 121 CO 0.02 0.74 -0.20 1.25 -0.57 0.00 0.00 179.45 180.70 2qir h LEU 122 N 0.73 -0.54 -0.30 2.94 6.46 -0.89 0.08 115.31 123.79 2qir h LEU 122 Ca 0.17 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 58.02 2qir h LEU 122 Cb 0.25 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 2qir h LEU 122 CO -0.01 -0.28 0.13 0.58 -0.62 0.00 0.00 178.44 178.24 2qir h VAL 123 N -0.38 0.95 -0.86 1.05 2.07 -1.01 -0.94 116.25 117.14 2qir h VAL 123 Ca 0.02 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.53 2qir h VAL 123 Cb 0.39 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 2qir h VAL 123 CO -0.10 0.05 0.51 0.03 0.02 0.00 0.00 177.57 178.08 2qir h ARG 124 N 0.27 0.85 -0.75 1.57 3.08 -0.84 0.14 114.38 118.71 2qir h ARG 124 Ca 0.13 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 2qir h ARG 124 Cb 0.07 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2qir h ARG 124 CO -0.11 0.57 0.27 0.00 -1.07 0.00 0.00 179.97 179.63 2qir h ALA 125 N 1.44 0.97 -0.14 0.04 0.00 -0.58 -2.14 119.26 118.85 2qir h ALA 125 Ca 0.40 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 2qir h ALA 125 Cb 0.30 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qir h ALA 125 CO -0.22 0.62 -0.79 1.25 0.00 0.00 0.00 179.25 180.11 2qir h LEU 126 N 1.09 0.91 -0.50 0.00 5.85 -0.35 -1.98 115.31 120.33 2qir h LEU 126 Ca 0.25 -0.60 0.02 0.00 0.84 0.00 0.00 57.88 58.38 2qir h LEU 126 Cb 0.25 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2qir h LEU 126 CO -0.02 1.40 0.31 0.58 -0.34 0.00 0.00 178.44 180.37 2qir h VAL 127 N 0.52 1.07 -0.31 1.05 2.07 -0.73 -1.99 116.25 117.93 2qir h VAL 127 Ca -0.06 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2qir h VAL 127 Cb 1.42 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2qir h VAL 127 CO 0.16 0.11 0.15 -0.08 0.02 0.00 0.00 177.57 177.94 2qir h GLU 128 N 0.62 0.44 -0.60 1.57 4.81 -1.32 -1.69 114.58 118.41 2qir h GLU 128 Ca 0.20 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 2qir h GLU 128 Cb -0.00 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 2qir h GLU 128 CO -0.08 0.41 0.32 1.25 -0.73 0.00 0.00 179.01 180.18 2qir h LEU 129 N 0.37 0.48 -0.52 1.64 5.85 -1.31 -2.40 115.31 119.42 2qir h LEU 129 Ca 0.11 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 2qir h LEU 129 Cb 0.11 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2qir h LEU 129 CO -0.01 0.32 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.06 2qir h LEU 130 N 0.61 0.93 -0.25 2.25 3.38 -1.20 -2.42 115.31 118.61 2qir h LEU 130 Ca 0.26 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2qir h LEU 130 Cb 0.15 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2qir h LEU 130 CO -0.16 1.15 0.00 0.49 0.09 0.00 0.00 178.44 180.00 2qir n PHE 131 N -4.09 0.35 0.86 1.13 3.72 -0.65 -1.54 117.46 117.24 2qir n PHE 131 Ca -0.01 0.13 0.11 0.00 -0.05 0.00 0.00 57.45 57.63 2qir n PHE 131 Cb 0.48 -0.71 0.50 0.00 -0.94 0.00 0.00 39.48 38.81 2qir n PHE 131 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qir n ASN 132 N -1.81 0.00 -4.57 4.37 5.03 -0.91 -4.33 115.26 113.03 2qir n ASN 132 Ca 0.03 0.30 -0.43 0.00 0.87 0.00 0.00 54.58 55.36 2qir n ASN 132 Cb 0.22 -0.42 -0.03 0.00 -1.02 0.00 0.00 39.78 38.53 2qir n ASN 132 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2qir s ASP 133 N -2.84 6.52 0.61 6.41 -1.08 -0.59 -4.94 116.67 120.77 2qir s ASP 133 Ca 0.14 0.18 0.33 0.00 -0.52 0.00 0.00 52.55 52.69 2qir s ASP 133 Cb 0.14 -2.49 1.96 0.00 -1.46 0.00 0.00 42.92 41.08 2qir s ASP 133 CO 0.37 -1.17 2.27 1.55 0.52 0.00 0.00 175.17 178.71 2qir h PRO 134 N 9.19 0.00 0.00 4.34 0.13 -1.86 -1.10 132.00 142.70 2qir h PRO 134 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2qir h PRO 134 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2qir h PRO 134 CO 1.08 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.24 2qir n GLU 135 N -3.65 0.07 -2.69 0.86 1.02 -1.26 -4.84 120.64 110.15 2qir n GLU 135 Ca -0.03 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 2qir n GLU 135 Cb 0.10 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 2qir n GLU 135 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qir s VAL 136 N -3.03 4.68 -0.13 2.62 1.01 -0.42 -4.36 120.40 120.77 2qir s VAL 136 Ca 0.12 2.01 0.10 0.00 0.00 0.00 0.00 61.98 64.21 2qir s VAL 136 Cb 0.16 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 32.11 2qir s VAL 136 CO 0.52 0.20 0.02 0.35 0.00 0.00 0.00 175.10 176.19 2qir n THR 137 N 3.56 0.86 -3.63 3.92 -2.24 -0.71 -4.90 114.28 111.14 2qir n THR 137 Ca 0.05 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.20 2qir n THR 137 Cb 0.50 -0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 67.94 2qir n THR 137 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qir s LYS 138 N -2.30 0.73 -0.10 -0.78 2.20 -1.24 -1.73 119.74 116.51 2qir s LYS 138 Ca -0.08 0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 56.33 2qir s LYS 138 Cb 0.04 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.68 2qir s LYS 138 CO 0.49 -0.10 0.02 0.42 -0.36 0.00 0.00 175.35 175.82 2qir s ILE 139 N 0.25 4.44 0.26 5.43 -1.09 -0.24 -1.26 121.20 128.98 2qir s ILE 139 Ca 0.01 -0.19 0.11 0.00 -2.23 0.00 0.00 60.65 58.35 2qir s ILE 139 Cb -0.05 -2.89 -0.05 0.00 -1.58 0.00 0.00 42.46 37.89 2qir s ILE 139 CO -0.01 0.58 -0.19 0.00 -1.23 0.00 0.00 174.94 174.09 2qir s GLN 140 N -0.68 1.60 0.05 2.79 -2.07 0.19 -1.13 119.66 120.42 2qir s GLN 140 Ca 0.11 -1.71 -0.06 0.00 -1.82 0.00 0.00 55.36 51.88 2qir s GLN 140 Cb -0.12 -1.65 -0.01 0.00 -1.09 0.00 0.00 33.01 30.14 2qir s GLN 140 CO 0.02 0.31 0.10 0.95 -1.32 0.00 0.00 175.29 175.35 2qir s THR 141 N -2.51 0.15 -0.39 3.63 -4.23 -0.49 -1.48 115.64 110.32 2qir s THR 141 Ca 0.28 -1.21 0.11 0.00 -1.18 0.00 0.00 61.69 59.69 2qir s THR 141 Cb -0.05 -1.08 0.34 0.00 1.34 0.00 0.00 72.50 73.06 2qir s THR 141 CO 0.13 -0.67 0.74 -0.90 -0.54 0.00 0.00 174.62 173.38 2qir n ASP 142 N 0.50 1.15 -4.75 3.99 5.75 -1.26 -1.50 116.55 120.43 2qir n ASP 142 Ca -0.17 -3.06 -0.36 0.00 -0.01 0.00 0.00 54.79 51.18 2qir n ASP 142 Cb 0.60 -0.62 0.04 0.00 -1.03 0.00 0.00 41.12 40.12 2qir n ASP 142 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2qir s PRO 143 N -2.48 2.84 0.56 0.11 0.04 -1.24 -4.68 135.00 130.15 2qir s PRO 143 Ca 0.41 1.91 -0.19 0.00 0.04 0.00 0.00 61.00 63.17 2qir s PRO 143 Cb 0.34 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.92 2qir s PRO 143 CO -0.09 -1.33 1.12 -1.54 0.04 0.00 0.00 177.00 175.20 2qir s SER 144 N -1.52 5.67 0.49 6.66 1.04 -1.26 -0.63 113.70 124.14 2qir s SER 144 Ca 0.79 2.12 0.18 0.00 0.48 0.00 0.00 55.95 59.51 2qir s SER 144 Cb -0.33 -2.57 1.20 0.00 0.10 0.00 0.00 66.02 64.42 2qir s SER 144 CO 0.35 -1.25 2.03 -0.65 0.98 0.00 0.00 173.24 174.70 2qir h PRO 145 N 1.01 0.18 0.00 4.02 0.11 -1.91 -0.88 132.00 134.53 2qir h PRO 145 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2qir h PRO 145 Cb 1.25 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qir h PRO 145 CO 0.57 0.12 -0.13 0.77 -0.21 0.00 0.00 178.00 179.12 2qir h SER 146 N 0.18 0.00 -1.12 -2.05 0.02 -1.95 -3.38 113.55 105.25 2qir h SER 146 Ca 0.19 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.40 2qir h SER 146 Cb 0.53 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.95 2qir h SER 146 CO -0.03 0.13 2.37 -3.20 -1.14 0.00 0.00 176.83 174.96 2qir n ASN 147 N -3.34 6.40 0.01 3.07 2.85 -0.33 -4.77 115.26 119.15 2qir n ASN 147 Ca -0.00 -3.07 0.04 0.00 -0.11 0.00 0.00 54.58 51.43 2qir n ASN 147 Cb 0.33 -1.45 0.42 0.00 1.24 0.00 0.00 39.78 40.33 2qir n ASN 147 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2qir h LEU 148 N 7.05 0.45 -0.34 1.20 3.38 -1.81 -1.84 115.31 123.40 2qir h LEU 148 Ca 0.56 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.44 2qir h LEU 148 Cb 0.48 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2qir h LEU 148 CO 1.60 0.34 -0.04 -0.09 0.09 0.00 0.00 178.44 180.34 2qir h ARG 149 N 0.52 0.63 -0.49 1.13 2.43 -1.97 -1.05 114.38 115.58 2qir h ARG 149 Ca 0.14 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2qir h ARG 149 Cb -0.02 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2qir h ARG 149 CO -0.03 0.78 0.27 0.00 -1.51 0.00 0.00 179.97 179.49 2qir h ALA 150 N 0.83 0.63 -0.52 2.80 0.00 -1.89 -1.40 119.26 119.71 2qir h ALA 150 Ca 0.09 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2qir h ALA 150 Cb 0.52 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2qir h ALA 150 CO 0.03 0.14 0.30 0.82 0.00 0.00 0.00 179.25 180.54 2qir h ILE 151 N 0.65 1.04 0.04 0.00 2.04 -1.27 -1.00 117.51 119.00 2qir h ILE 151 Ca 0.17 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2qir h ILE 151 Cb 0.04 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2qir h ILE 151 CO -0.03 0.11 -0.02 -0.09 0.00 0.00 0.00 178.15 178.12 2qir h ARG 152 N 0.60 -0.05 -0.77 2.37 9.65 -1.07 -1.63 114.38 123.47 2qir h ARG 152 Ca 0.21 0.00 0.18 0.00 -1.10 0.00 0.00 59.98 59.28 2qir h ARG 152 Cb 0.04 0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 28.51 2qir h ARG 152 CO -0.11 0.19 0.14 0.00 2.80 0.00 0.00 179.97 182.99 2qir h TYR 154 N 0.21 0.98 -0.49 0.00 0.05 -1.02 -2.49 116.97 114.21 2qir h TYR 154 Ca 0.44 -0.14 0.06 0.00 0.05 0.00 0.00 58.73 59.15 2qir h TYR 154 Cb 0.80 -0.27 -0.05 0.00 1.01 0.00 0.00 36.73 38.22 2qir h TYR 154 CO -0.31 0.86 0.18 0.93 -1.05 0.00 0.00 178.16 178.78 2qir h GLU 155 N 0.81 0.35 0.00 4.88 5.08 -0.81 -0.77 114.58 124.11 2qir h GLU 155 Ca 0.17 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2qir h GLU 155 Cb 0.41 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2qir h GLU 155 CO 0.01 0.23 -0.09 0.87 -1.00 0.00 0.00 179.01 179.04 2qir h LYS 156 N 0.36 0.00 -0.28 2.33 1.57 -1.11 -1.83 116.57 117.61 2qir h LYS 156 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2qir h LYS 156 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2qir h LYS 156 CO -0.23 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 178.74 2qir n ALA 157 N -2.29 2.47 0.00 3.86 0.00 -0.75 -4.92 120.51 118.89 2qir n ALA 157 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2qir n ALA 157 Cb 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2qir n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qir n GLY 158 N 1.24 0.66 3.77 0.00 0.00 -0.69 -4.79 105.19 105.37 2qir n GLY 158 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2qir n GLY 158 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qir s PHE 159 N -2.00 3.67 -0.13 1.61 0.08 -0.37 -4.65 117.98 116.19 2qir s PHE 159 Ca 0.00 1.78 -0.01 0.00 0.12 0.00 0.00 56.93 58.82 2qir s PHE 159 Cb 0.00 -3.07 -0.02 0.00 -0.57 0.00 0.00 43.02 39.37 2qir s PHE 159 CO 0.00 -0.06 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.74 2qir s GLU 160 N -1.74 3.41 0.12 0.44 2.02 0.62 -4.04 118.70 119.54 2qir s GLU 160 Ca 0.48 -0.65 -0.31 0.00 0.02 0.00 0.00 54.97 54.50 2qir s GLU 160 Cb -0.25 -2.68 -0.09 0.00 0.10 0.00 0.00 34.13 31.22 2qir s GLU 160 CO 0.31 0.24 1.57 1.03 0.02 0.00 0.00 175.26 178.43 2qir s ARG 161 N 0.31 4.22 -0.23 1.61 0.52 -1.26 -0.99 118.95 123.13 2qir s ARG 161 Ca -0.09 2.31 -0.03 0.00 -0.52 0.00 0.00 55.73 57.40 2qir s ARG 161 Cb -0.15 -3.32 -0.13 0.00 0.52 0.00 0.00 34.95 31.86 2qir s ARG 161 CO 0.05 -0.63 -0.24 1.04 0.02 0.00 0.00 175.30 175.54 2qir n GLN 162 N 4.54 0.54 -3.35 3.54 1.13 0.90 -4.95 117.38 119.73 2qir n GLN 162 Ca 0.14 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 2qir n GLN 162 Cb 0.40 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.34 2qir n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qir n GLY 163 N 2.09 -1.09 3.80 1.08 0.00 -1.22 -5.02 105.19 104.83 2qir n GLY 163 Ca -0.42 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 2qir n GLY 163 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qir s THR 164 N -2.77 5.15 0.15 2.61 2.01 -1.26 -0.57 115.64 120.97 2qir s THR 164 Ca 0.00 0.74 0.09 0.00 0.31 0.00 0.00 61.69 62.84 2qir s THR 164 Cb 0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2qir s THR 164 CO 0.00 0.50 -0.21 0.68 -0.69 0.00 0.00 174.62 174.90 2qir s VAL 165 N -0.47 1.94 -0.12 3.82 -7.23 -0.20 -4.91 120.40 113.22 2qir s VAL 165 Ca 0.22 -1.82 -0.20 0.00 -1.81 0.00 0.00 61.98 58.37 2qir s VAL 165 Cb -0.15 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2qir s VAL 165 CO 0.10 -0.17 0.55 -0.89 -0.31 0.00 0.00 175.10 174.39 2qir s THR 166 N -1.63 5.13 0.32 5.32 2.01 -1.26 -0.19 115.64 125.33 2qir s THR 166 Ca 0.14 1.10 0.08 0.00 0.31 0.00 0.00 61.69 63.32 2qir s THR 166 Cb -0.08 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.48 2qir s THR 166 CO 0.07 0.27 -0.07 0.42 -0.69 0.00 0.00 174.62 174.61 2qir s THR 167 N 0.92 1.93 0.47 -0.82 -4.23 -0.49 -4.92 115.64 108.50 2qir s THR 167 Ca 0.29 -2.16 0.41 0.00 -1.18 0.00 0.00 61.69 59.05 2qir s THR 167 Cb -0.16 -2.58 0.42 0.00 1.34 0.00 0.00 72.50 71.52 2qir s THR 167 CO 0.12 -0.23 2.23 -0.65 -0.54 0.00 0.00 174.62 175.55 2qir h PRO 168 N 2.13 0.00 -0.00 3.99 0.11 -1.91 -0.73 132.00 135.58 2qir h PRO 168 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2qir h PRO 168 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qir h PRO 168 CO 0.69 0.00 -0.31 -0.25 -0.21 0.00 0.00 178.00 177.92 2qir n ASP 169 N -3.00 0.41 0.00 -2.05 8.00 -1.26 -5.07 116.55 113.58 2qir n ASP 169 Ca -0.02 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2qir n ASP 169 Cb 0.12 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2qir n ASP 169 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qir n GLY 170 N 1.47 0.74 3.74 0.44 0.00 -0.28 -5.08 105.19 106.21 2qir n GLY 170 Ca 0.07 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 2qir n GLY 170 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qir s PRO 171 N -0.87 2.44 0.01 1.61 0.04 -1.26 -1.40 135.00 135.57 2qir s PRO 171 Ca 0.00 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.73 2qir s PRO 171 Cb 0.00 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2qir s PRO 171 CO 0.00 -1.60 0.03 0.00 0.04 0.00 0.00 177.00 175.47 2qir s ALA 172 N -1.95 -0.04 -0.51 8.56 0.00 0.73 -4.37 121.76 124.18 2qir s ALA 172 Ca 0.74 -0.38 -0.27 0.00 0.00 0.00 0.00 51.96 52.04 2qir s ALA 172 Cb -0.28 0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.99 2qir s ALA 172 CO 0.42 -0.16 1.07 0.08 0.00 0.00 0.00 175.76 177.17 2qir s VAL 173 N -1.30 4.25 -0.11 0.00 1.01 0.20 -1.04 120.40 123.41 2qir s VAL 173 Ca -0.14 0.88 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 2qir s VAL 173 Cb -0.08 -4.59 -0.01 0.00 0.00 0.00 0.00 36.38 31.70 2qir s VAL 173 CO -0.00 -1.07 1.00 -0.47 0.00 0.00 0.00 175.10 174.56 2qir s TYR 174 N 4.34 3.51 -0.01 5.22 5.04 0.27 -3.59 117.35 132.12 2qir s TYR 174 Ca 0.41 1.58 0.04 0.00 -2.44 0.00 0.00 57.07 56.66 2qir s TYR 174 Cb -0.09 -3.18 -0.01 0.00 0.35 0.00 0.00 41.96 39.03 2qir s TYR 174 CO 0.27 -0.23 -0.14 -1.64 -1.34 0.00 0.00 175.55 172.48 2qir s MET 175 N 2.03 1.15 0.10 4.97 -1.94 -0.56 -0.07 119.30 124.97 2qir s MET 175 Ca 0.48 -0.48 0.06 0.00 -1.71 0.00 0.00 55.69 54.03 2qir s MET 175 Cb -0.18 -1.10 -0.03 0.00 2.01 0.00 0.00 34.83 35.53 2qir s MET 175 CO 0.18 0.28 -0.14 0.14 -0.01 0.00 0.00 175.02 175.46 2qir s VAL 176 N -0.25 1.25 -0.11 -6.03 -7.23 -0.16 -1.39 120.40 106.47 2qir s VAL 176 Ca 0.04 -1.57 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2qir s VAL 176 Cb -0.06 -1.37 0.03 0.00 0.56 0.00 0.00 36.38 35.55 2qir s VAL 176 CO -0.00 -0.35 -0.02 -1.58 -0.31 0.00 0.00 175.10 172.85 2qir s GLN 177 N -2.33 0.93 0.67 4.82 0.74 -0.28 -0.27 119.66 123.94 2qir s GLN 177 Ca 0.05 -0.14 -0.11 0.00 0.05 0.00 0.00 55.36 55.21 2qir s GLN 177 Cb -0.07 -1.43 -0.01 0.00 1.10 0.00 0.00 33.01 32.61 2qir s GLN 177 CO 0.03 -0.37 1.06 0.95 -0.55 0.00 0.00 175.29 176.40 2qir s THR 178 N 1.85 4.16 0.24 -0.34 -4.23 -1.26 -1.08 115.64 114.98 2qir s THR 178 Ca 0.03 0.70 -0.06 0.00 -1.18 0.00 0.00 61.69 61.19 2qir s THR 178 Cb -0.13 -3.57 0.21 0.00 1.34 0.00 0.00 72.50 70.35 2qir s THR 178 CO -0.07 -0.92 1.86 -0.09 -0.54 0.00 0.00 174.62 174.87 2qir h ARG 179 N -0.58 0.98 -0.53 3.99 2.43 -1.68 -1.73 114.38 117.26 2qir h ARG 179 Ca -0.44 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 58.68 2qir h ARG 179 Cb 1.21 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 2qir h ARG 179 CO 0.60 0.65 0.34 1.96 -1.51 0.00 0.00 179.97 182.01 2qir h GLN 180 N 1.01 0.67 -0.58 0.20 4.20 -1.94 0.11 115.11 118.79 2qir h GLN 180 Ca 0.37 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 59.00 2qir h GLN 180 Cb 0.12 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2qir h GLN 180 CO -0.16 0.44 0.20 0.00 -0.67 0.00 0.00 178.83 178.65 2qir h ALA 181 N 1.21 0.75 -0.39 3.87 0.00 -1.89 -2.36 119.26 120.45 2qir h ALA 181 Ca 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qir h ALA 181 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2qir h ALA 181 CO -0.06 0.39 0.23 0.35 0.00 0.00 0.00 179.25 180.16 2qir h PHE 182 N 0.80 0.52 -0.79 0.00 3.57 -0.94 -2.46 116.94 117.65 2qir h PHE 182 Ca 0.19 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.83 2qir h PHE 182 Cb 0.25 -0.17 -0.10 0.00 2.79 0.00 0.00 35.95 38.72 2qir h PHE 182 CO 0.01 0.38 0.34 0.93 -2.23 0.00 0.00 178.31 177.74 2qir h GLU 183 N 0.51 0.46 0.00 1.11 5.08 -0.64 -1.96 114.58 119.14 2qir h GLU 183 Ca 0.14 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 2qir h GLU 183 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2qir h GLU 183 CO -0.03 0.31 -0.45 0.00 -1.00 0.00 0.00 179.01 177.84 2qir h ARG 184 N 0.48 0.00 0.00 2.33 3.08 -1.05 -3.33 114.38 115.89 2qir h ARG 184 Ca 0.44 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.45 2qir h ARG 184 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2qir h ARG 184 CO -0.41 0.45 -1.88 0.25 -1.07 0.00 0.00 179.97 177.32 2qir n THR 185 N -3.39 0.14 0.01 2.04 -2.24 -0.96 -4.48 114.28 105.41 2qir n THR 185 Ca 0.01 -0.46 0.14 0.00 -2.27 0.00 0.00 64.05 61.47 2qir n THR 185 Cb 0.62 0.00 0.60 0.00 -2.10 0.00 0.00 70.33 69.45 2qir n THR 185 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2qir h ARG 186 N 0.00 0.16 0.00 -0.78 9.65 -1.47 -3.51 114.38 118.44 2qir h ARG 186 Ca -0.06 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2qir h ARG 186 Cb 0.99 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 2qir h ARG 186 CO 0.00 0.11 0.00 0.43 2.80 0.00 0.00 179.97 183.31