#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkm s SER 2 N 0.00 -0.41 -0.10 3.17 0.01 -1.26 -5.00 113.70 110.11 2qkm s SER 2 Ca 0.00 0.19 0.15 0.00 1.31 0.00 0.00 55.95 57.60 2qkm s SER 2 Cb 0.00 0.39 0.50 0.00 0.21 0.00 0.00 66.02 67.12 2qkm s SER 2 CO 0.00 -0.55 1.42 0.49 0.41 0.00 0.00 173.24 175.01 2qkm n PHE 3 N 0.16 0.93 -0.27 2.43 3.72 -1.26 -4.83 117.46 118.33 2qkm n PHE 3 Ca -0.11 -0.68 0.11 0.00 -0.05 0.00 0.00 57.45 56.72 2qkm n PHE 3 Cb 0.60 -0.20 0.22 0.00 -0.94 0.00 0.00 39.48 39.16 2qkm n PHE 3 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2qkm n THR 4 N 0.25 -0.33 -3.37 4.37 -1.04 -1.24 -2.93 114.28 109.99 2qkm n THR 4 Ca 0.19 1.71 -0.26 0.00 -2.04 0.00 0.00 64.05 63.65 2qkm n THR 4 Cb 0.74 -2.49 -0.09 0.00 -1.82 0.00 0.00 70.33 66.67 2qkm n THR 4 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2qkm n ASN 5 N -5.10 1.08 -4.55 8.00 0.23 -1.26 -4.71 115.26 108.94 2qkm n ASN 5 Ca 0.18 -2.83 -0.34 0.00 -0.53 0.00 0.00 54.58 51.06 2qkm n ASN 5 Cb 0.58 -0.64 -0.11 0.00 -2.08 0.00 0.00 39.78 37.53 2qkm n ASN 5 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qkm s ALA 6 N -1.17 3.11 -1.17 -2.53 0.00 -1.15 -4.99 121.76 113.86 2qkm s ALA 6 Ca 0.34 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2qkm s ALA 6 Cb 0.11 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2qkm s ALA 6 CO -0.12 0.27 0.11 2.41 0.00 0.00 0.00 175.76 178.43 2qkm n THR 7 N 3.32 0.00 0.00 0.00 -1.04 -1.26 -4.77 114.28 110.52 2qkm n THR 7 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2qkm n THR 7 Cb 0.53 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 2qkm n THR 7 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2qkm n PHE 8 N 0.25 0.00 -0.36 -1.42 7.35 -1.26 -4.26 117.46 117.76 2qkm n PHE 8 Ca 0.00 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.71 2qkm n PHE 8 Cb 0.04 0.00 0.18 0.00 0.35 0.00 0.00 39.48 40.05 2qkm n PHE 8 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 2qkm h SER 9 N 0.00 1.03 -0.02 -2.13 0.02 -1.99 0.14 113.55 110.59 2qkm h SER 9 Ca 0.00 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 2qkm h SER 9 Cb 0.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2qkm h SER 9 CO 0.00 0.67 -0.10 1.56 -1.14 0.00 0.00 176.83 177.82 2qkm h GLN 10 N 1.17 0.28 0.09 3.45 4.20 -1.89 -0.10 115.11 122.31 2qkm h GLN 10 Ca 0.42 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.07 2qkm h GLN 10 Cb 0.14 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2qkm h GLN 10 CO -0.16 0.39 -0.04 0.28 -0.67 0.00 0.00 178.83 178.63 2qkm h VAL 11 N 0.26 1.15 -0.72 -0.54 2.07 -1.41 -1.90 116.25 115.16 2qkm h VAL 11 Ca 0.06 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.62 2qkm h VAL 11 Cb 0.35 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 2qkm h VAL 11 CO 0.02 0.24 0.44 -0.07 0.02 0.00 0.00 177.57 178.22 2qkm h LEU 12 N -0.59 0.71 -0.38 2.57 4.07 -0.68 -1.66 115.31 119.34 2qkm h LEU 12 Ca -0.01 0.01 0.08 0.00 0.08 0.00 0.00 57.88 58.03 2qkm h LEU 12 Cb 0.48 -0.14 -0.07 0.00 1.08 0.00 0.00 40.66 42.01 2qkm h LEU 12 CO 0.02 0.48 -0.09 0.44 -1.08 0.00 0.00 178.44 178.21 2qkm h ASP 13 N 0.84 -0.34 0.43 -0.43 3.32 -1.01 0.52 116.42 119.76 2qkm h ASP 13 Ca 0.30 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 2qkm h ASP 13 Cb 0.07 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2qkm h ASP 13 CO -0.13 -0.12 -0.26 -0.78 -1.72 0.00 0.00 179.24 176.23 2qkm h ASP 14 N 0.01 -0.66 -0.76 6.45 3.58 -0.53 -2.25 116.42 122.26 2qkm h ASP 14 Ca 0.18 0.04 0.22 0.00 0.42 0.00 0.00 57.03 57.89 2qkm h ASP 14 Cb 0.28 0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 2qkm h ASP 14 CO -0.38 -0.40 0.61 -0.07 -2.88 0.00 0.00 179.24 176.11 2qkm h LEU 15 N -0.65 0.00 -0.60 2.28 3.38 -1.28 0.60 115.31 119.05 2qkm h LEU 15 Ca -0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2qkm h LEU 15 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2qkm h LEU 15 CO 0.06 0.00 0.05 -1.28 0.09 0.00 0.00 178.44 177.36 2qkm h SER 16 N 0.00 0.99 0.89 -0.43 0.87 -0.43 -1.76 113.55 113.68 2qkm h SER 16 Ca 0.36 -0.28 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 2qkm h SER 16 Cb 1.57 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 2qkm h SER 16 CO -0.00 1.02 -1.16 0.00 -0.53 0.00 0.00 176.83 176.16 2qkm h ALA 17 N 1.00 0.58 0.00 6.23 0.00 0.20 -2.87 119.26 124.39 2qkm h ALA 17 Ca 0.18 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2qkm h ALA 17 Cb 0.49 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2qkm h ALA 17 CO 0.02 0.42 -0.84 -0.09 0.00 0.00 0.00 179.25 178.76 2qkm h ARG 18 N 0.00 0.02 0.00 0.00 2.43 0.08 -3.43 114.38 113.48 2qkm h ARG 18 Ca -0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2qkm h ARG 18 Cb 1.27 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2qkm h ARG 18 CO 0.02 0.84 -0.36 1.19 -1.51 0.00 0.00 179.97 180.16 2qkm n PHE 19 N -3.56 0.00 -3.25 2.20 3.72 -0.67 -5.04 117.46 110.86 2qkm n PHE 19 Ca -0.01 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.31 2qkm n PHE 19 Cb 0.80 0.04 0.01 0.00 -0.94 0.00 0.00 39.48 39.39 2qkm n PHE 19 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2qkm n ILE 20 N -1.95 0.00 0.00 4.37 2.08 -1.09 -4.80 119.36 117.98 2qkm n ILE 20 Ca 0.00 -0.72 0.00 0.00 0.56 0.00 0.00 62.75 62.59 2qkm n ILE 20 Cb 0.18 -0.64 0.00 0.00 -0.75 0.00 0.00 39.64 38.43 2qkm n ILE 20 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2qkm n LEU 21 N 0.00 0.00 -2.40 1.39 4.77 -1.24 -4.32 117.00 115.20 2qkm n LEU 21 Ca 0.03 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.67 2qkm n LEU 21 Cb 0.22 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.38 2qkm n LEU 21 CO 0.14 0.00 1.46 0.59 -1.33 0.00 0.00 177.39 178.25 2qkm n ASN 22 N 1.54 7.60 -4.82 -1.43 3.02 -1.26 -5.01 115.26 114.90 2qkm n ASN 22 Ca 0.00 -3.75 -0.34 0.00 -0.03 0.00 0.00 54.58 50.46 2qkm n ASN 22 Cb 0.00 -1.00 -0.07 0.00 -0.61 0.00 0.00 39.78 38.10 2qkm n ASN 22 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qkm s LEU 23 N -3.73 4.11 1.06 3.41 1.43 -1.26 -5.04 118.68 118.65 2qkm s LEU 23 Ca 0.61 1.59 -0.15 0.00 -1.03 0.00 0.00 54.13 55.15 2qkm s LEU 23 Cb 0.48 -4.20 0.12 0.00 0.03 0.00 0.00 46.19 42.62 2qkm s LEU 23 CO -0.08 -0.21 0.39 -2.65 0.23 0.00 0.00 176.35 174.04 2qkm n PRO 24 N -0.14 -1.23 -0.12 1.29 -0.02 -1.26 -4.72 135.00 128.80 2qkm n PRO 24 Ca 0.04 -0.33 -0.05 0.00 -2.02 0.00 0.00 63.50 61.15 2qkm n PRO 24 Cb 0.53 -1.88 0.03 0.00 -0.02 0.00 0.00 33.50 32.15 2qkm n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qkm h ALA 25 N -2.00 0.36 0.50 3.55 0.00 -1.99 -2.18 119.26 117.50 2qkm h ALA 25 Ca -0.51 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2qkm h ALA 25 Cb 1.32 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2qkm h ALA 25 CO 0.39 -0.40 -0.24 0.93 0.00 0.00 0.00 179.25 179.93 2qkm h GLU 26 N 0.10 -0.65 0.00 0.00 4.39 -2.03 -3.06 114.58 113.32 2qkm h GLU 26 Ca 0.19 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2qkm h GLU 26 Cb 0.27 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2qkm h GLU 26 CO -0.32 -0.43 0.01 0.39 -1.16 0.00 0.00 179.01 177.49 2qkm n GLU 27 N -4.78 0.00 -1.62 2.33 1.02 -1.22 -4.82 120.64 111.56 2qkm n GLU 27 Ca -0.08 0.02 -0.52 0.00 -0.02 0.00 0.00 57.16 56.56 2qkm n GLU 27 Cb 0.27 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 2qkm n GLU 27 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2qkm n GLN 28 N -0.91 1.34 0.00 3.49 -0.06 -0.82 -4.52 117.38 115.91 2qkm n GLN 28 Ca 0.00 0.49 0.00 0.00 -2.00 0.00 0.00 57.00 55.49 2qkm n GLN 28 Cb 0.01 -2.16 0.00 0.00 -4.06 0.00 0.00 30.24 24.03 2qkm n GLN 28 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2qkm n SER 29 N 3.10 0.00 -2.48 1.69 2.88 -1.26 -4.98 113.62 112.57 2qkm n SER 29 Ca 0.19 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.71 2qkm n SER 29 Cb 0.20 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.64 2qkm n SER 29 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2qkm n SER 30 N 3.20 -4.98 -0.42 -3.46 7.64 -1.26 -4.37 113.62 109.97 2qkm n SER 30 Ca 0.00 1.53 0.34 0.00 1.01 0.00 0.00 58.87 61.75 2qkm n SER 30 Cb 0.00 -4.61 0.64 0.00 -1.01 0.00 0.00 64.21 59.22 2qkm n SER 30 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2qkm h VAL 31 N 4.29 0.25 -0.63 0.44 -1.51 -1.95 -2.34 116.25 114.80 2qkm h VAL 31 Ca -0.22 -0.05 0.06 0.00 -1.23 0.00 0.00 66.70 65.26 2qkm h VAL 31 Cb 0.50 0.09 -0.08 0.00 -2.13 0.00 0.00 31.29 29.67 2qkm h VAL 31 CO 0.00 0.03 -0.35 -0.62 -1.23 0.00 0.00 177.57 175.40 2qkm n GLU 32 N -4.56 -0.26 0.01 5.19 4.71 -1.26 -2.51 120.64 121.96 2qkm n GLU 32 Ca 0.33 0.96 -0.22 0.00 -0.01 0.00 0.00 57.16 58.22 2qkm n GLU 32 Cb 1.31 -1.41 -0.14 0.00 -1.01 0.00 0.00 31.44 30.19 2qkm n GLU 32 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2qkm h ARG 33 N 0.00 0.26 -0.81 3.49 -0.00 -1.68 -3.37 114.38 112.27 2qkm h ARG 33 Ca 0.12 -0.44 0.16 0.00 -0.50 0.00 0.00 59.98 59.31 2qkm h ARG 33 Cb 0.28 0.17 -0.15 0.00 0.00 0.00 0.00 29.97 30.26 2qkm h ARG 33 CO -0.60 1.21 -0.24 1.25 0.00 0.00 0.00 179.97 181.59 2qkm h LEU 34 N -0.05 -0.88 -0.16 3.04 5.85 -1.43 0.24 115.31 121.91 2qkm h LEU 34 Ca -0.40 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2qkm h LEU 34 Cb 1.96 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 43.52 2qkm h LEU 34 CO 0.07 -0.28 0.05 0.00 -0.34 0.00 0.00 178.44 177.94 2qkm h PHE 36 N 0.07 0.29 -0.15 0.00 3.57 -0.90 0.17 116.94 119.99 2qkm h PHE 36 Ca 0.05 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 2qkm h PHE 36 Cb 0.24 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2qkm h PHE 36 CO 0.00 -0.07 -0.46 1.96 -2.23 0.00 0.00 178.31 177.52 2qkm h GLN 37 N 0.28 0.38 -0.50 1.11 1.08 -0.48 -2.92 115.11 114.06 2qkm h GLN 37 Ca 0.41 -0.20 -0.08 0.00 -1.45 0.00 0.00 58.65 57.33 2qkm h GLN 37 Cb 0.69 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 2qkm h GLN 37 CO -0.49 0.76 0.01 0.82 -0.95 0.00 0.00 178.83 178.98 2qkm h ILE 38 N 0.31 1.26 -0.61 2.54 2.04 0.12 0.27 117.51 123.43 2qkm h ILE 38 Ca 0.02 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 64.88 2qkm h ILE 38 Cb 0.92 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 2qkm h ILE 38 CO 0.08 0.37 0.33 -0.08 0.00 0.00 0.00 178.15 178.85 2qkm h GLU 39 N 0.74 0.60 -0.20 2.37 4.81 -1.12 0.23 114.58 122.02 2qkm h GLU 39 Ca 0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2qkm h GLU 39 Cb 0.50 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2qkm h GLU 39 CO 0.02 0.40 0.13 1.96 -0.73 0.00 0.00 179.01 180.79 2qkm h GLN 40 N 0.62 0.26 -0.72 1.92 4.20 -1.31 -0.57 115.11 119.52 2qkm h GLN 40 Ca 0.27 -0.02 0.16 0.00 0.06 0.00 0.00 58.65 59.12 2qkm h GLN 40 Cb 0.17 -0.06 -0.12 0.00 0.30 0.00 0.00 27.48 27.78 2qkm h GLN 40 CO -0.18 0.18 0.09 0.00 -0.67 0.00 0.00 178.83 178.26 2qkm h ALA 41 N 1.06 0.83 -0.47 3.87 0.00 -0.23 -0.10 119.26 124.24 2qkm h ALA 41 Ca 0.07 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2qkm h ALA 41 Cb -0.02 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2qkm h ALA 41 CO -0.02 -0.38 0.13 1.25 0.00 0.00 0.00 179.25 180.23 2qkm h HIS 42 N 0.18 0.76 0.00 0.00 -0.00 0.09 -2.03 115.15 114.15 2qkm h HIS 42 Ca 0.40 -0.08 -0.05 0.00 -0.00 0.00 0.00 60.37 60.63 2qkm h HIS 42 Cb 0.68 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 2qkm h HIS 42 CO -0.33 0.69 -0.26 -1.49 -0.00 0.00 0.00 177.93 176.54 2qkm h TRP 43 N 0.62 0.00 0.04 5.26 -0.00 -0.60 -1.31 115.95 119.96 2qkm h TRP 43 Ca 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.04 2qkm h TRP 43 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.46 2qkm h TRP 43 CO 0.02 0.26 -0.02 0.35 -0.00 0.00 0.00 178.44 179.05 2qkm h PHE 44 N 0.00 -0.05 -0.06 0.49 3.57 -0.76 -1.88 116.94 118.24 2qkm h PHE 44 Ca -0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2qkm h PHE 44 Cb 0.83 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 2qkm h PHE 44 CO 0.00 0.31 -0.13 -0.92 -2.23 0.00 0.00 178.31 175.34 2qkm h TYR 45 N -0.43 -0.33 -0.49 0.41 3.20 -1.15 0.22 116.97 118.40 2qkm h TYR 45 Ca -0.01 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 2qkm h TYR 45 Cb 0.39 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2qkm h TYR 45 CO 0.05 -0.20 -0.03 0.93 -1.64 0.00 0.00 178.16 177.28 2qkm h GLU 46 N -0.19 0.84 0.05 1.82 4.39 -1.29 -1.46 114.58 118.74 2qkm h GLU 46 Ca 0.07 -0.25 -0.32 0.00 0.34 0.00 0.00 59.36 59.20 2qkm h GLU 46 Cb 0.28 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2qkm h GLU 46 CO -0.18 0.86 -1.81 -0.44 -1.16 0.00 0.00 179.01 176.29 2qkm h ASP 47 N 0.78 0.17 0.00 1.42 3.32 -1.18 -3.39 116.42 117.54 2qkm h ASP 47 Ca 0.14 -0.38 -0.10 0.00 0.02 0.00 0.00 57.03 56.71 2qkm h ASP 47 Cb 0.50 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2qkm h ASP 47 CO 0.03 1.34 -1.36 0.49 -1.72 0.00 0.00 179.24 178.02 2qkm n PHE 48 N -3.23 0.00 -0.12 4.55 3.72 0.76 -4.33 117.46 118.80 2qkm n PHE 48 Ca -0.22 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.12 2qkm n PHE 48 Cb 1.05 -0.24 0.12 0.00 -0.94 0.00 0.00 39.48 39.48 2qkm n PHE 48 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2qkm h ILE 49 N -0.16 1.25 0.86 4.37 2.04 -1.31 -2.99 117.51 121.58 2qkm h ILE 49 Ca -0.16 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 2qkm h ILE 49 Cb 1.17 0.92 0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2qkm h ILE 49 CO -0.07 0.38 -0.44 -0.09 0.00 0.00 0.00 178.15 177.93 2qkm h ARG 50 N 0.77 -1.15 -1.00 2.37 9.65 -1.47 -3.11 114.38 120.44 2qkm h ARG 50 Ca 0.14 0.08 0.26 0.00 -1.10 0.00 0.00 59.98 59.36 2qkm h ARG 50 Cb 0.52 0.26 -0.07 0.00 -1.39 0.00 0.00 29.97 29.29 2qkm h ARG 50 CO 0.03 -0.77 0.67 0.00 2.80 0.00 0.00 179.97 182.70 2qkm h ALA 51 N -1.07 2.45 -1.60 2.80 0.00 -1.74 -1.06 119.26 119.04 2qkm h ALA 51 Ca -0.12 0.02 -0.81 0.00 0.00 0.00 0.00 54.91 54.01 2qkm h ALA 51 Cb 0.93 0.03 -0.28 0.00 0.00 0.00 0.00 17.79 18.47 2qkm h ALA 51 CO 0.18 -0.79 0.88 1.04 0.00 0.00 0.00 179.25 180.56 2qkm n GLN 52 N -4.47 4.93 0.00 0.00 6.02 -1.14 -4.65 117.38 118.08 2qkm n GLN 52 Ca 0.23 -4.62 0.00 0.00 -0.01 0.00 0.00 57.00 52.60 2qkm n GLN 52 Cb 0.89 -2.49 0.00 0.00 1.02 0.00 0.00 30.24 29.67 2qkm n GLN 52 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2qkm n ASN 53 N 0.62 0.00 0.00 1.08 2.85 -0.51 -3.69 115.26 115.62 2qkm n ASN 53 Ca 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 2qkm n ASN 53 Cb 0.30 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.32 2qkm n ASN 53 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2qkm n ASP 54 N 0.00 0.00 -0.16 1.20 2.03 -0.59 -4.68 116.55 114.35 2qkm n ASP 54 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 2qkm n ASP 54 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2qkm n ASP 54 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2qkm h GLN 55 N 0.00 0.71 -7.02 -0.67 5.75 -1.96 -3.45 115.11 108.47 2qkm h GLN 55 Ca 0.00 -0.14 -0.54 0.00 -0.15 0.00 0.00 58.65 57.83 2qkm h GLN 55 Cb 0.00 -0.11 0.11 0.00 1.07 0.00 0.00 27.48 28.55 2qkm h GLN 55 CO 0.00 0.66 0.58 -0.51 -2.65 0.00 0.00 178.83 176.91 2qkm s LEU 56 N -9.74 3.94 1.34 -2.39 1.43 -1.26 -5.01 118.68 106.98 2qkm s LEU 56 Ca -0.13 2.65 -0.21 0.00 -1.03 0.00 0.00 54.13 55.41 2qkm s LEU 56 Cb 0.11 -4.21 0.34 0.00 0.03 0.00 0.00 46.19 42.46 2qkm s LEU 56 CO 0.77 -1.32 0.99 -2.84 0.23 0.00 0.00 176.35 174.18 2qkm s PRO 57 N -2.77 -2.28 -0.57 1.29 0.02 -1.26 -5.01 135.00 124.42 2qkm s PRO 57 Ca 0.68 0.15 0.06 0.00 0.02 0.00 0.00 61.00 61.91 2qkm s PRO 57 Cb -0.37 -1.45 0.29 0.00 0.02 0.00 0.00 34.50 32.98 2qkm s PRO 57 CO 0.45 -4.46 0.80 0.45 -0.33 0.00 0.00 177.00 173.91 2qkm n SER 58 N -5.33 3.41 -4.52 2.53 2.88 -1.26 -5.02 113.62 106.30 2qkm n SER 58 Ca 0.12 -3.42 -0.29 0.00 -1.33 0.00 0.00 58.87 53.95 2qkm n SER 58 Cb 0.59 -0.62 0.24 0.00 -0.75 0.00 0.00 64.21 63.67 2qkm n SER 58 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2qkm s LEU 59 N -2.70 1.21 0.46 2.46 1.02 -1.26 -5.06 118.68 114.81 2qkm s LEU 59 Ca 0.43 1.66 0.04 0.00 0.02 0.00 0.00 54.13 56.28 2qkm s LEU 59 Cb 0.22 -3.65 0.02 0.00 0.02 0.00 0.00 46.19 42.79 2qkm s LEU 59 CO -0.07 -4.02 0.65 -0.83 0.02 0.00 0.00 176.35 172.09 2qkm s GLY 60 N -2.53 1.81 0.10 -3.19 0.00 -1.26 -4.87 107.32 97.38 2qkm s GLY 60 Ca 0.68 -1.44 -0.34 0.00 0.00 0.00 0.00 44.72 43.62 2qkm s GLY 60 CO 0.63 -1.23 1.55 -2.00 0.00 0.00 0.00 173.10 172.05 2qkm h LEU 61 N 0.42 -1.56 -1.24 0.66 5.85 -1.98 0.40 115.31 117.87 2qkm h LEU 61 Ca -0.42 0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 2qkm h LEU 61 Cb 1.28 0.57 -0.01 0.00 0.37 0.00 0.00 40.66 42.87 2qkm h LEU 61 CO 0.50 -0.56 -0.24 -0.09 -0.34 0.00 0.00 178.44 177.70 2qkm h ARG 62 N -0.77 0.22 -0.27 1.25 2.43 -1.97 0.34 114.38 115.61 2qkm h ARG 62 Ca -0.01 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2qkm h ARG 62 Cb 0.76 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2qkm h ARG 62 CO -0.26 0.45 0.09 0.28 -1.51 0.00 0.00 179.97 179.02 2qkm h VAL 63 N 0.20 1.19 -0.18 0.20 2.07 -1.80 0.12 116.25 118.05 2qkm h VAL 63 Ca 0.03 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.85 2qkm h VAL 63 Cb 0.54 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2qkm h VAL 63 CO 0.04 0.20 -0.30 0.15 0.02 0.00 0.00 177.57 177.68 2qkm h PHE 64 N 0.27 0.64 0.00 1.57 3.57 0.01 -2.77 116.94 120.24 2qkm h PHE 64 Ca 0.09 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 2qkm h PHE 64 Cb 0.22 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2qkm h PHE 64 CO 0.00 0.94 -0.00 1.03 -2.23 0.00 0.00 178.31 178.05 2qkm h SER 65 N 0.16 -0.00 -0.59 0.41 0.87 -0.30 0.90 113.55 114.99 2qkm h SER 65 Ca 0.01 -0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2qkm h SER 65 Cb 0.88 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.80 2qkm h SER 65 CO 0.07 0.08 0.33 0.00 -0.53 0.00 0.00 176.83 176.77 2qkm h ALA 66 N 0.91 0.77 -0.32 6.23 0.00 -1.05 -1.86 119.26 123.93 2qkm h ALA 66 Ca -0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2qkm h ALA 66 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2qkm h ALA 66 CO 0.00 0.01 -0.13 0.87 0.00 0.00 0.00 179.25 180.00 2qkm h LYS 67 N 0.63 0.56 -0.76 0.00 1.57 -1.25 -2.55 116.57 114.77 2qkm h LYS 67 Ca 0.25 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2qkm h LYS 67 Cb 0.11 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2qkm h LYS 67 CO -0.15 0.68 0.40 1.25 -0.57 0.00 0.00 179.45 181.06 2qkm h LEU 68 N 0.51 0.96 -4.20 2.94 5.85 -0.17 -3.16 115.31 118.04 2qkm h LEU 68 Ca 0.09 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 2qkm h LEU 68 Cb 0.53 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2qkm h LEU 68 CO 0.03 0.79 -0.11 0.49 -0.34 0.00 0.00 178.44 179.30 2qkm n PHE 69 N -4.34 0.00 -2.71 1.25 3.01 -0.76 -3.74 117.46 110.17 2qkm n PHE 69 Ca 0.08 -1.01 -0.05 0.00 1.01 0.00 0.00 57.45 57.47 2qkm n PHE 69 Cb 0.11 -1.16 0.08 0.00 -0.01 0.00 0.00 39.48 38.50 2qkm n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qkm n ALA 70 N 2.55 2.54 0.00 4.37 0.00 -1.19 -4.80 120.51 123.98 2qkm n ALA 70 Ca 0.27 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.60 2qkm n ALA 70 Cb 0.61 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2qkm n ALA 70 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2qkm n HIS 71 N -0.64 0.00 -0.02 0.00 8.25 -1.24 -5.10 115.22 116.47 2qkm n HIS 71 Ca -0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2qkm n HIS 71 Cb 0.84 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.94 2qkm n HIS 71 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qkm s LYS 77 N -1.32 0.27 -0.01 0.00 2.47 -1.26 -5.13 119.74 114.76 2qkm s LYS 77 Ca -0.03 0.11 -0.17 0.00 -1.56 0.00 0.00 55.97 54.31 2qkm s LYS 77 Cb 0.00 0.12 -0.33 0.00 -1.46 0.00 0.00 37.83 36.17 2qkm s LYS 77 CO 0.05 -0.05 0.89 2.35 0.16 0.00 0.00 175.35 178.75 2qkm h TRP 78 N 5.51 0.78 0.00 4.03 7.01 -2.05 -3.37 115.95 127.85 2qkm h TRP 78 Ca -0.26 -0.57 0.00 0.00 2.11 0.00 0.00 58.89 60.17 2qkm h TRP 78 Cb 1.20 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 2qkm h TRP 78 CO 0.45 1.50 0.00 0.43 -2.79 0.00 0.00 178.44 178.02 2qkm n SER 79 N -3.85 0.00 0.20 2.65 7.64 -1.26 -1.59 113.62 117.40 2qkm n SER 79 Ca -0.18 -0.68 0.13 0.00 1.01 0.00 0.00 58.87 59.16 2qkm n SER 79 Cb 1.00 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 64.49 2qkm n SER 79 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2qkm h LYS 80 N 0.00 0.00 -0.40 1.43 5.09 -1.98 -3.10 116.57 117.61 2qkm h LYS 80 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.76 2qkm h LYS 80 Cb 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.30 2qkm h LYS 80 CO 0.00 0.00 0.23 0.28 -2.09 0.00 0.00 179.45 177.87 2qkm h VAL 81 N 0.00 1.04 -1.97 0.07 2.07 -1.61 -2.85 116.25 113.00 2qkm h VAL 81 Ca 0.00 -0.16 -0.75 0.00 0.82 0.00 0.00 66.70 66.61 2qkm h VAL 81 Cb 0.86 0.53 -0.29 0.00 -1.52 0.00 0.00 31.29 30.87 2qkm h VAL 81 CO 0.00 0.09 0.86 1.57 0.02 0.00 0.00 177.57 180.11 2qkm n HIS 82 N -4.87 3.02 0.18 1.57 -0.00 -1.18 -4.34 115.22 109.60 2qkm n HIS 82 Ca 0.01 -2.44 0.03 0.00 0.46 0.00 0.00 57.72 55.78 2qkm n HIS 82 Cb 0.06 -1.07 -0.04 0.00 -0.12 0.00 0.00 29.99 28.82 2qkm n HIS 82 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2qkm n GLU 83 N -0.49 3.09 -0.11 1.57 4.07 -1.07 -4.22 120.64 123.48 2qkm n GLU 83 Ca 0.52 -0.02 -0.13 0.00 -0.06 0.00 0.00 57.16 57.47 2qkm n GLU 83 Cb 0.28 -0.93 -0.01 0.00 -0.06 0.00 0.00 31.44 30.72 2qkm n GLU 83 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2qkm h GLU 84 N 0.00 0.91 0.00 5.31 4.39 -1.76 -2.01 114.58 121.43 2qkm h GLU 84 Ca 0.00 -0.47 -0.13 0.00 0.34 0.00 0.00 59.36 59.10 2qkm h GLU 84 Cb 0.21 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2qkm h GLU 84 CO 0.00 1.13 -0.61 0.00 -1.16 0.00 0.00 179.01 178.37 2qkm h ALA 85 N 0.81 0.79 -0.71 3.43 0.00 -1.89 -3.07 119.26 118.62 2qkm h ALA 85 Ca 0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2qkm h ALA 85 Cb 0.97 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2qkm h ALA 85 CO 0.09 0.76 0.34 0.35 0.00 0.00 0.00 179.25 180.79 2qkm h PHE 86 N 0.00 1.03 -0.37 0.00 3.57 -1.70 -0.86 116.94 118.61 2qkm h PHE 86 Ca -0.01 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.49 2qkm h PHE 86 Cb 1.23 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 2qkm h PHE 86 CO 0.00 0.77 0.11 0.22 -2.23 0.00 0.00 178.31 177.18 2qkm h ASP 87 N 1.00 0.09 -0.02 0.41 1.82 -1.27 -2.92 116.42 115.52 2qkm h ASP 87 Ca 0.24 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.93 2qkm h ASP 87 Cb 0.13 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.19 2qkm h ASP 87 CO -0.03 0.09 0.00 0.44 -1.61 0.00 0.00 179.24 178.13 2qkm h ASP 88 N 0.25 0.04 0.00 2.28 3.45 -1.47 -3.20 116.42 117.76 2qkm h ASP 88 Ca 0.17 -0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.38 2qkm h ASP 88 Cb 0.17 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 2qkm h ASP 88 CO -0.20 0.28 0.43 0.15 -1.57 0.00 0.00 179.24 178.33 2qkm h PHE 89 N -0.21 0.00 0.00 4.55 3.57 -0.96 0.99 116.94 124.88 2qkm h PHE 89 Ca 0.01 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 2qkm h PHE 89 Cb 0.26 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 2qkm h PHE 89 CO 0.01 0.00 -1.95 1.28 -2.23 0.00 0.00 178.31 175.42 2qkm n LEU 90 N -2.49 0.49 0.11 0.59 4.77 -1.21 -4.40 117.00 114.86 2qkm n LEU 90 Ca -0.01 0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 56.19 2qkm n LEU 90 Cb 0.46 0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 2qkm n LEU 90 CO 0.08 0.38 0.34 -0.09 -1.33 0.00 0.00 177.39 176.78 2qkm h ARG 91 N 0.00 0.00 -0.06 3.23 2.43 -0.90 -3.30 114.38 115.78 2qkm h ARG 91 Ca -0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2qkm h ARG 91 Cb 2.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 2qkm h ARG 91 CO 0.05 0.70 0.00 0.66 -1.51 0.00 0.00 179.97 179.87 2qkm n TYR 92 N -3.28 0.07 -0.42 2.20 0.53 -1.15 -2.75 117.16 112.36 2qkm n TYR 92 Ca 0.01 -0.04 0.11 0.00 -1.02 0.00 0.00 57.90 56.97 2qkm n TYR 92 Cb 0.81 0.00 0.33 0.00 -1.03 0.00 0.00 39.34 39.45 2qkm n TYR 92 CO 0.00 0.00 0.00 0.36 -1.02 0.00 0.00 176.86 176.20 2qkm n LYS 93 N -0.28 2.94 -3.54 -0.72 2.85 -1.24 -4.84 118.16 113.33 2qkm n LYS 93 Ca 0.17 -2.69 -0.11 0.00 -1.05 0.00 0.00 58.31 54.63 2qkm n LYS 93 Cb 0.21 -1.62 -0.10 0.00 -0.65 0.00 0.00 35.03 32.87 2qkm n LYS 93 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2qkm s THR 94 N -1.17 -0.54 -0.51 0.58 2.01 -1.11 -5.11 115.64 109.79 2qkm s THR 94 Ca 0.49 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.61 2qkm s THR 94 Cb 0.27 -0.66 0.13 0.00 0.01 0.00 0.00 72.50 72.25 2qkm s THR 94 CO 0.31 -0.01 0.27 -0.13 -0.69 0.00 0.00 174.62 174.37 2qkm s ARG 95 N 2.51 1.83 -0.01 4.92 1.81 -1.26 -4.90 118.95 123.85 2qkm s ARG 95 Ca 0.05 -2.52 -0.30 0.00 -1.72 0.00 0.00 55.73 51.24 2qkm s ARG 95 Cb -0.14 -3.06 -0.04 0.00 -0.45 0.00 0.00 34.95 31.27 2qkm s ARG 95 CO -0.13 -1.14 1.12 -1.50 -0.68 0.00 0.00 175.30 172.97 2qkm s ILE 96 N -0.21 4.41 0.35 1.52 2.07 -1.26 -4.64 121.20 123.44 2qkm s ILE 96 Ca 0.18 1.72 -0.28 0.00 -1.41 0.00 0.00 60.65 60.86 2qkm s ILE 96 Cb -0.24 -4.11 -0.11 0.00 0.13 0.00 0.00 42.46 38.13 2qkm s ILE 96 CO -0.01 0.08 1.48 -2.65 -1.91 0.00 0.00 174.94 171.93 2qkm n PRO 97 N 4.39 2.58 -4.38 3.50 -0.02 -1.26 -4.75 135.00 135.06 2qkm n PRO 97 Ca 0.09 0.91 -0.32 0.00 -2.02 0.00 0.00 63.50 62.15 2qkm n PRO 97 Cb 0.48 -2.62 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 2qkm n PRO 97 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2qkm s VAL 98 N -0.88 3.86 -0.09 -1.45 -7.23 -0.37 -1.48 120.40 112.76 2qkm s VAL 98 Ca 0.56 -0.71 0.02 0.00 -1.81 0.00 0.00 61.98 60.04 2qkm s VAL 98 Cb -0.50 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 33.75 2qkm s VAL 98 CO 0.60 0.38 -0.15 -0.13 -0.31 0.00 0.00 175.10 175.49 2qkm s ARG 99 N -1.50 2.08 0.01 4.82 3.00 -0.53 -2.50 118.95 124.33 2qkm s ARG 99 Ca 0.18 -0.53 -0.00 0.00 0.00 0.00 0.00 55.73 55.38 2qkm s ARG 99 Cb -0.11 -1.71 0.00 0.00 0.00 0.00 0.00 34.95 33.13 2qkm s ARG 99 CO 0.09 0.01 0.02 0.41 0.00 0.00 0.00 175.30 175.83 2qkm n GLY 100 N 3.93 2.91 2.99 -3.53 0.00 -0.57 -3.10 105.19 107.83 2qkm n GLY 100 Ca -0.21 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 2qkm n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qkm s ALA 101 N -1.52 0.08 -0.27 4.61 0.00 -0.73 -0.47 121.76 123.46 2qkm s ALA 101 Ca 0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 2qkm s ALA 101 Cb -0.00 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.27 2qkm s ALA 101 CO 0.01 -0.16 0.02 0.42 0.00 0.00 0.00 175.76 176.05 2qkm s ILE 102 N -1.40 3.58 -0.32 0.00 1.01 0.41 -4.13 121.20 120.36 2qkm s ILE 102 Ca -0.15 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 2qkm s ILE 102 Cb -0.09 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.58 2qkm s ILE 102 CO -0.01 0.18 0.14 -0.04 0.00 0.00 0.00 174.94 175.22 2qkm s MET 103 N 1.45 3.16 0.00 2.79 -1.94 -1.26 -4.43 119.30 119.09 2qkm s MET 103 Ca 0.03 -0.83 0.01 0.00 -1.71 0.00 0.00 55.69 53.18 2qkm s MET 103 Cb -0.16 -3.53 -0.04 0.00 2.01 0.00 0.00 34.83 33.10 2qkm s MET 103 CO -0.00 -0.48 0.05 -0.51 -0.01 0.00 0.00 175.02 174.07 2qkm s LEU 104 N 1.57 3.75 0.00 -0.03 1.43 -1.26 -2.52 118.68 121.62 2qkm s LEU 104 Ca 0.03 0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 2qkm s LEU 104 Cb -0.17 -2.20 0.08 0.00 0.03 0.00 0.00 46.19 43.93 2qkm s LEU 104 CO 0.05 0.27 0.29 -0.90 0.23 0.00 0.00 176.35 176.29 2qkm n ASP 105 N 1.20 -1.32 -0.03 2.29 3.85 -1.19 -4.93 116.55 116.42 2qkm n ASP 105 Ca -0.13 -0.67 -0.04 0.00 -0.71 0.00 0.00 54.79 53.24 2qkm n ASP 105 Cb 0.53 -0.27 0.19 0.00 -1.35 0.00 0.00 41.12 40.21 2qkm n ASP 105 CO 0.00 0.00 0.00 0.24 -1.01 0.00 0.00 177.20 176.43 2qkm h MET 106 N 0.00 0.60 -0.13 0.11 2.86 -2.00 -3.10 114.93 113.27 2qkm h MET 106 Ca -0.11 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.37 2qkm h MET 106 Cb 0.34 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2qkm h MET 106 CO 0.07 0.73 0.12 1.03 1.06 0.00 0.00 176.91 179.93 2qkm h SER 107 N 0.54 0.00 -1.65 1.22 0.87 -1.93 -3.46 113.55 109.14 2qkm h SER 107 Ca 0.09 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.32 2qkm h SER 107 Cb 0.58 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.47 2qkm h SER 107 CO 0.04 0.00 -0.37 0.23 -0.53 0.00 0.00 176.83 176.20 2qkm n MET 108 N -4.03 -1.24 0.00 2.24 2.81 -1.17 -4.82 117.12 110.91 2qkm n MET 108 Ca 0.00 0.93 0.00 0.00 -1.81 0.00 0.00 57.70 56.82 2qkm n MET 108 Cb 0.24 -5.25 0.00 0.00 -0.71 0.00 0.00 33.22 27.50 2qkm n MET 108 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2qkm n GLN 109 N -2.56 3.40 -4.88 0.03 0.00 -1.26 -5.03 117.38 107.08 2qkm n GLN 109 Ca -0.18 0.00 -0.33 0.00 -0.00 0.00 0.00 57.00 56.49 2qkm n GLN 109 Cb 0.60 -0.34 -0.15 0.00 0.00 0.00 0.00 30.24 30.35 2qkm n GLN 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2qkm s GLN 110 N -0.59 3.25 0.27 3.69 0.74 -1.26 -1.04 119.66 124.72 2qkm s GLN 110 Ca 0.00 -0.73 0.05 0.00 0.05 0.00 0.00 55.36 54.73 2qkm s GLN 110 Cb 0.00 -2.54 -0.06 0.00 1.10 0.00 0.00 33.01 31.51 2qkm s GLN 110 CO 0.00 0.24 -0.03 0.00 -0.55 0.00 0.00 175.29 174.95 2qkm s VAL 112 N -3.16 5.32 -0.33 0.00 0.11 -1.05 -1.19 120.40 120.10 2qkm s VAL 112 Ca 0.30 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 2qkm s VAL 112 Cb 0.05 -3.46 0.10 0.00 -1.53 0.00 0.00 36.38 31.54 2qkm s VAL 112 CO 0.11 0.37 0.11 -0.76 -3.33 0.00 0.00 175.10 171.60 2qkm s LEU 113 N 0.86 2.67 -0.28 2.54 1.43 -0.84 -4.63 118.68 120.43 2qkm s LEU 113 Ca 0.07 -1.82 -0.01 0.00 -1.03 0.00 0.00 54.13 51.34 2qkm s LEU 113 Cb -0.13 -1.00 0.15 0.00 0.03 0.00 0.00 46.19 45.25 2qkm s LEU 113 CO 0.03 -0.39 2.16 0.55 0.23 0.00 0.00 176.35 178.92 2qkm n VAL 114 N 4.62 2.75 0.00 -1.59 3.14 0.14 -3.92 118.33 123.47 2qkm n VAL 114 Ca 0.00 -1.66 0.00 0.00 -2.96 0.00 0.00 64.34 59.72 2qkm n VAL 114 Cb 0.41 -1.41 0.00 0.00 -1.06 0.00 0.00 33.84 31.78 2qkm n VAL 114 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2qkm n GLY 122 N 0.63 0.00 0.00 7.55 0.00 -1.26 -3.92 105.19 108.19 2qkm n GLY 122 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2qkm n GLY 122 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2qkm n TRP 123 N 0.00 -0.09 0.00 1.61 7.02 -1.26 -5.12 117.44 119.60 2qkm n TRP 123 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2qkm n TRP 123 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2qkm n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2qkm n GLY 124 N 3.80 2.36 3.76 6.99 0.00 -1.25 -4.94 105.19 115.90 2qkm n GLY 124 Ca 0.00 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 2qkm n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qkm s PHE 125 N -2.00 3.60 -0.21 1.61 0.40 -1.26 0.25 117.98 120.36 2qkm s PHE 125 Ca 0.00 1.73 -0.30 0.00 -0.60 0.00 0.00 56.93 57.75 2qkm s PHE 125 Cb 0.00 -3.21 -0.07 0.00 0.51 0.00 0.00 43.02 40.24 2qkm s PHE 125 CO 0.00 -0.41 2.16 -0.35 0.70 0.00 0.00 175.22 177.33 2qkm n PRO 126 N 1.04 1.88 -3.44 0.24 -0.04 -1.26 -4.84 135.00 128.58 2qkm n PRO 126 Ca -0.00 0.56 -0.11 0.00 -0.04 0.00 0.00 63.50 63.90 2qkm n PRO 126 Cb 0.46 -3.00 -0.02 0.00 -0.04 0.00 0.00 33.50 30.90 2qkm n PRO 126 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2qkm s LYS 127 N 5.95 1.24 0.10 0.54 -2.85 -1.26 -1.77 119.74 121.68 2qkm s LYS 127 Ca 1.01 -0.46 -0.27 0.00 -1.00 0.00 0.00 55.97 55.25 2qkm s LYS 127 Cb -0.49 0.56 0.08 0.00 -2.06 0.00 0.00 37.83 35.93 2qkm s LYS 127 CO 0.40 -0.54 1.02 0.20 0.10 0.00 0.00 175.35 176.53 2qkm s GLY 128 N -2.72 -0.29 0.51 0.59 0.00 -1.18 -4.97 107.32 99.25 2qkm s GLY 128 Ca 0.02 0.36 -0.22 0.00 0.00 0.00 0.00 44.72 44.88 2qkm s GLY 128 CO -0.12 0.07 1.32 0.54 0.00 0.00 0.00 173.10 174.91 2qkm s LYS 129 N -3.08 3.36 0.65 2.90 1.02 -1.26 -1.46 119.74 121.87 2qkm s LYS 129 Ca 0.12 2.14 -0.15 0.00 0.02 0.00 0.00 55.97 58.10 2qkm s LYS 129 Cb -0.00 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.96 2qkm s LYS 129 CO -0.00 -0.99 1.09 -1.50 -0.92 0.00 0.00 175.35 173.03 2qkm s ILE 130 N -1.35 3.47 -0.47 2.17 2.07 -0.55 -4.84 121.20 121.70 2qkm s ILE 130 Ca 0.68 0.65 0.06 0.00 -1.41 0.00 0.00 60.65 60.64 2qkm s ILE 130 Cb -0.38 -3.19 0.45 0.00 0.13 0.00 0.00 42.46 39.47 2qkm s ILE 130 CO 0.45 -0.45 1.32 0.47 -1.91 0.00 0.00 174.94 174.82 2qkm n ASP 131 N -2.44 3.65 -1.98 4.50 10.43 -1.26 -4.88 116.55 124.57 2qkm n ASP 131 Ca 0.10 -2.66 -0.15 0.00 2.57 0.00 0.00 54.79 54.65 2qkm n ASP 131 Cb 0.52 -0.64 0.02 0.00 1.84 0.00 0.00 41.12 42.87 2qkm n ASP 131 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2qkm n LYS 132 N 0.10 -2.82 0.00 -1.24 5.02 -1.26 -4.61 118.16 113.36 2qkm n LYS 132 Ca 0.22 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 2qkm n LYS 132 Cb 0.92 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 31.07 2qkm n LYS 132 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qkm n ASP 133 N -0.99 -0.07 -4.70 4.39 2.03 -1.26 -5.17 116.55 110.77 2qkm n ASP 133 Ca -0.09 0.26 -0.31 0.00 0.52 0.00 0.00 54.79 55.17 2qkm n ASP 133 Cb 0.59 0.32 0.14 0.00 -0.72 0.00 0.00 41.12 41.45 2qkm n ASP 133 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2qkm s GLU 134 N -2.00 1.40 1.02 -0.67 0.41 -1.26 -4.99 118.70 112.61 2qkm s GLU 134 Ca 0.00 1.41 -0.12 0.00 -0.41 0.00 0.00 54.97 55.86 2qkm s GLU 134 Cb 0.00 -1.78 0.20 0.00 -1.78 0.00 0.00 34.13 30.77 2qkm s GLU 134 CO 0.00 -2.32 1.08 -1.12 -0.49 0.00 0.00 175.26 172.41 2qkm s SER 135 N -2.92 2.22 0.28 -0.19 0.01 -1.26 -4.78 113.70 107.06 2qkm s SER 135 Ca 0.65 1.74 -0.02 0.00 1.31 0.00 0.00 55.95 59.63 2qkm s SER 135 Cb -0.21 -2.36 0.39 0.00 0.21 0.00 0.00 66.02 64.05 2qkm s SER 135 CO 0.57 -3.46 1.85 0.44 0.41 0.00 0.00 173.24 173.05 2qkm h ASP 136 N -2.12 0.83 0.16 2.44 3.32 -2.00 -1.20 116.42 117.85 2qkm h ASP 136 Ca -0.52 -0.12 -0.28 0.00 0.02 0.00 0.00 57.03 56.13 2qkm h ASP 136 Cb 1.30 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 40.65 2qkm h ASP 136 CO 0.48 0.76 -1.14 0.58 -1.72 0.00 0.00 179.24 178.21 2qkm h VAL 137 N 0.89 1.32 0.00 -1.35 2.07 -1.97 -3.08 116.25 114.12 2qkm h VAL 137 Ca 0.21 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.28 2qkm h VAL 137 Cb 0.20 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2qkm h VAL 137 CO -0.02 0.74 -0.06 -0.78 0.02 0.00 0.00 177.57 177.47 2qkm h ASP 138 N 0.29 0.00 0.14 0.57 1.82 -1.84 -2.24 116.42 115.17 2qkm h ASP 138 Ca -0.15 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.24 2qkm h ASP 138 Cb 1.80 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.82 2qkm h ASP 138 CO 0.21 0.06 -1.18 0.00 -1.61 0.00 0.00 179.24 176.73 2qkm h ALA 140 N 0.03 1.42 0.11 0.00 0.00 -1.34 -0.86 119.26 118.63 2qkm h ALA 140 Ca -0.23 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2qkm h ALA 140 Cb 1.77 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 2qkm h ALA 140 CO 0.13 0.05 -0.38 0.82 0.00 0.00 0.00 179.25 179.87 2qkm h ILE 141 N 0.80 0.22 -0.04 0.00 2.04 -1.56 -1.47 117.51 117.51 2qkm h ILE 141 Ca 0.49 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 66.19 2qkm h ILE 141 Cb 0.61 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2qkm h ILE 141 CO -0.32 0.00 -0.67 0.08 0.00 0.00 0.00 178.15 177.24 2qkm h ARG 142 N -0.60 0.18 0.00 2.37 0.11 -1.61 -2.37 114.38 112.45 2qkm h ARG 142 Ca 0.03 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2qkm h ARG 142 Cb 0.64 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.74 2qkm h ARG 142 CO -0.22 0.78 0.00 0.93 0.10 0.00 0.00 179.97 181.56 2qkm h GLU 143 N 0.13 0.00 0.00 0.08 4.39 -1.00 0.35 114.58 118.53 2qkm h GLU 143 Ca -0.01 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 2qkm h GLU 143 Cb 1.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2qkm h GLU 143 CO 0.10 0.00 -0.53 0.28 -1.16 0.00 0.00 179.01 177.70 2qkm h VAL 144 N 0.00 1.25 -0.38 3.13 2.07 -1.15 -3.33 116.25 117.84 2qkm h VAL 144 Ca 0.00 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.40 2qkm h VAL 144 Cb 0.57 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 2qkm h VAL 144 CO 0.00 0.42 0.22 0.22 0.02 0.00 0.00 177.57 178.46 2qkm h TYR 145 N -1.00 0.42 -0.01 1.57 5.03 -1.25 0.22 116.97 121.96 2qkm h TYR 145 Ca -0.14 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.18 2qkm h TYR 145 Cb 1.04 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 39.18 2qkm h TYR 145 CO 0.17 0.25 0.01 1.49 -1.32 0.00 0.00 178.16 178.75 2qkm h GLU 146 N 0.46 0.00 0.00 1.82 4.81 -0.50 -1.37 114.58 119.80 2qkm h GLU 146 Ca 0.15 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 2qkm h GLU 146 Cb -0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2qkm h GLU 146 CO -0.06 0.00 -1.56 0.39 -0.73 0.00 0.00 179.01 177.05 2qkm n GLU 147 N -4.22 1.46 -0.00 1.92 1.02 -0.98 -4.76 120.64 115.07 2qkm n GLU 147 Ca -0.03 -0.05 0.02 0.00 -0.02 0.00 0.00 57.16 57.09 2qkm n GLU 147 Cb 0.09 -1.24 -0.04 0.00 -0.02 0.00 0.00 31.44 30.23 2qkm n GLU 147 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2qkm n THR 148 N -2.12 0.02 -2.72 2.62 -2.24 0.74 -4.84 114.28 105.74 2qkm n THR 148 Ca -0.09 -0.12 -0.06 0.00 -2.27 0.00 0.00 64.05 61.51 2qkm n THR 148 Cb 0.56 0.31 0.02 0.00 -2.10 0.00 0.00 70.33 69.12 2qkm n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qkm n GLY 149 N 2.25 0.52 3.10 3.38 0.00 -0.52 -5.02 105.19 108.91 2qkm n GLY 149 Ca -0.01 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 2qkm n GLY 149 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qkm s PHE 150 N -3.00 0.85 -0.30 1.61 2.19 -1.26 -5.02 117.98 113.05 2qkm s PHE 150 Ca 0.14 -0.51 -0.01 0.00 0.33 0.00 0.00 56.93 56.88 2qkm s PHE 150 Cb -0.06 -0.49 0.05 0.00 -1.31 0.00 0.00 43.02 41.21 2qkm s PHE 150 CO 0.17 -0.04 -0.00 0.34 1.83 0.00 0.00 175.22 177.52 2qkm s ASP 151 N -1.71 4.85 0.00 6.13 3.68 -1.26 -3.13 116.67 125.22 2qkm s ASP 151 Ca -0.06 -1.34 0.27 0.00 2.13 0.00 0.00 52.55 53.54 2qkm s ASP 151 Cb -0.09 -1.69 0.80 0.00 -1.45 0.00 0.00 42.92 40.48 2qkm s ASP 151 CO 0.01 -0.27 1.59 0.00 0.13 0.00 0.00 175.17 176.64 2qkm n SER 153 N -0.42 0.00 0.00 0.00 2.88 -1.26 -1.67 113.62 113.15 2qkm n SER 153 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2qkm n SER 153 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2qkm n SER 153 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2qkm n SER 154 N -0.69 2.56 -0.20 -3.46 7.64 -1.26 -4.83 113.62 113.38 2qkm n SER 154 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.94 2qkm n SER 154 Cb 0.00 0.48 0.08 0.00 -1.01 0.00 0.00 64.21 63.76 2qkm n SER 154 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qkm n ARG 155 N -0.83 0.92 -4.70 1.43 1.74 -0.67 -5.03 116.66 109.52 2qkm n ARG 155 Ca 0.00 -1.94 -0.26 0.00 -0.77 0.00 0.00 57.85 54.88 2qkm n ARG 155 Cb 0.03 -1.11 -0.17 0.00 -1.02 0.00 0.00 32.46 30.19 2qkm n ARG 155 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2qkm s ILE 156 N -1.74 1.32 -0.22 0.55 1.10 -0.99 -5.10 121.20 116.12 2qkm s ILE 156 Ca 0.19 -0.58 -0.16 0.00 -0.51 0.00 0.00 60.65 59.58 2qkm s ILE 156 Cb 0.16 -1.19 -0.04 0.00 0.15 0.00 0.00 42.46 41.55 2qkm s ILE 156 CO 0.02 0.40 0.43 0.21 -2.11 0.00 0.00 174.94 173.89 2qkm s ASN 157 N 0.62 6.43 0.63 4.50 2.47 -1.26 -4.94 114.94 123.39 2qkm s ASN 157 Ca -0.15 0.51 0.30 0.00 0.42 0.00 0.00 52.86 53.94 2qkm s ASN 157 Cb -0.16 -2.25 1.66 0.00 -1.45 0.00 0.00 41.25 39.05 2qkm s ASN 157 CO 0.04 -0.14 1.93 -0.65 -3.72 0.00 0.00 177.10 174.56 2qkm h PRO 158 N 7.61 0.00 0.00 0.43 0.11 -2.00 -2.55 132.00 135.60 2qkm h PRO 158 Ca -0.34 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.65 2qkm h PRO 158 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2qkm h PRO 158 CO 0.71 0.00 -1.77 0.09 -0.21 0.00 0.00 178.00 176.82 2qkm n ASN 159 N -2.83 0.37 -4.33 -2.05 3.02 -1.26 -4.75 115.26 103.43 2qkm n ASN 159 Ca -0.02 0.16 -0.46 0.00 -0.03 0.00 0.00 54.58 54.23 2qkm n ASN 159 Cb 0.33 1.03 -0.04 0.00 -0.61 0.00 0.00 39.78 40.49 2qkm n ASN 159 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2qkm s GLU 160 N -3.11 3.19 0.00 3.52 0.41 -0.96 -5.00 118.70 116.75 2qkm s GLU 160 Ca -0.06 -1.85 0.00 0.00 -0.41 0.00 0.00 54.97 52.65 2qkm s GLU 160 Cb 0.10 -4.35 0.00 0.00 -1.78 0.00 0.00 34.13 28.10 2qkm s GLU 160 CO 0.85 -1.37 0.00 1.97 -0.49 0.00 0.00 175.26 176.21 2qkm n PHE 161 N 5.13 -0.09 -3.20 1.61 -1.74 -1.26 0.12 117.46 118.03 2qkm n PHE 161 Ca -0.04 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.86 2qkm n PHE 161 Cb 0.43 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.42 2qkm n PHE 161 CO 0.00 0.00 0.00 -1.50 -0.56 0.00 0.00 176.76 174.70 2qkm s ILE 162 N -1.75 -1.00 -0.22 1.97 2.07 -0.56 -4.82 121.20 116.89 2qkm s ILE 162 Ca 0.00 -0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.11 2qkm s ILE 162 Cb 0.00 -0.18 -0.05 0.00 0.13 0.00 0.00 42.46 42.36 2qkm s ILE 162 CO 0.00 -0.00 0.25 1.51 -1.91 0.00 0.00 174.94 174.79 2qkm s ASP 163 N 2.02 6.26 0.08 4.50 -4.77 -1.26 -3.05 116.67 120.45 2qkm s ASP 163 Ca 0.15 0.29 -0.04 0.00 -3.30 0.00 0.00 52.55 49.65 2qkm s ASP 163 Cb -0.05 -2.15 -0.03 0.00 -1.09 0.00 0.00 42.92 39.60 2qkm s ASP 163 CO -0.10 0.02 0.07 0.00 0.70 0.00 0.00 175.17 175.86 2qkm s MET 164 N 1.07 0.78 -0.36 2.11 0.23 -0.05 -4.95 119.30 118.12 2qkm s MET 164 Ca 0.12 -1.18 -0.06 0.00 -1.03 0.00 0.00 55.69 53.54 2qkm s MET 164 Cb -0.14 0.27 0.06 0.00 -1.53 0.00 0.00 34.83 33.49 2qkm s MET 164 CO 0.05 -0.21 0.14 0.99 -2.03 0.00 0.00 175.02 173.96 2qkm s THR 165 N -3.93 3.65 -0.20 3.16 2.01 -1.26 -1.39 115.64 117.68 2qkm s THR 165 Ca 0.10 -1.40 -0.11 0.00 0.31 0.00 0.00 61.69 60.59 2qkm s THR 165 Cb 0.07 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 2qkm s THR 165 CO -0.07 -0.33 0.18 -0.63 -0.69 0.00 0.00 174.62 173.08 2qkm s ILE 166 N 1.33 5.37 -1.11 1.82 1.01 -0.68 -4.49 121.20 124.45 2qkm s ILE 166 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.94 2qkm s ILE 166 Cb -0.21 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2qkm s ILE 166 CO 0.01 0.40 0.00 0.54 0.00 0.00 0.00 174.94 175.89 2qkm n ARG 167 N 3.74 -1.63 -0.01 2.79 1.74 -1.26 0.14 116.66 122.17 2qkm n ARG 167 Ca -0.15 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 2qkm n ARG 167 Cb 0.52 -4.97 0.00 0.00 -1.02 0.00 0.00 32.46 26.99 2qkm n ARG 167 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qkm n GLY 168 N -0.42 0.32 3.67 -0.13 0.00 -1.26 -5.06 105.19 102.31 2qkm n GLY 168 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2qkm n GLY 168 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qkm s GLN 169 N -0.99 4.08 -0.25 1.61 0.74 0.12 -4.88 119.66 120.09 2qkm s GLN 169 Ca 0.00 -0.27 -0.29 0.00 0.05 0.00 0.00 55.36 54.86 2qkm s GLN 169 Cb 0.00 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.57 2qkm s GLN 169 CO 0.00 0.09 1.56 1.21 -0.55 0.00 0.00 175.29 177.59 2qkm s ASN 170 N 0.99 6.40 -0.30 6.67 2.47 -1.26 -1.69 114.94 128.21 2qkm s ASN 170 Ca 0.08 1.47 0.01 0.00 0.42 0.00 0.00 52.86 54.84 2qkm s ASN 170 Cb -0.13 -2.53 0.07 0.00 -1.45 0.00 0.00 41.25 37.20 2qkm s ASN 170 CO 0.04 -1.26 -0.02 -0.69 -3.72 0.00 0.00 177.10 171.44 2qkm s VAL 171 N 5.17 2.50 -0.28 -5.21 1.01 -0.48 -1.24 120.40 121.86 2qkm s VAL 171 Ca 0.68 -1.74 -0.14 0.00 0.00 0.00 0.00 61.98 60.78 2qkm s VAL 171 Cb -0.22 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2qkm s VAL 171 CO 0.28 -0.22 0.33 -0.60 0.00 0.00 0.00 175.10 174.90 2qkm s ARG 172 N 1.11 3.92 -0.33 2.72 3.52 -1.04 -0.87 118.95 127.98 2qkm s ARG 172 Ca -0.03 -0.11 -0.06 0.00 -0.13 0.00 0.00 55.73 55.40 2qkm s ARG 172 Cb -0.20 -3.68 0.04 0.00 -1.56 0.00 0.00 34.95 29.55 2qkm s ARG 172 CO -0.04 -0.30 0.08 -0.51 -0.81 0.00 0.00 175.30 173.72 2qkm s LEU 173 N 2.00 4.22 0.43 -0.88 1.43 -1.17 -1.51 118.68 123.20 2qkm s LEU 173 Ca 0.13 -1.14 -0.24 0.00 -1.03 0.00 0.00 54.13 51.85 2qkm s LEU 173 Cb -0.16 -1.84 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 2qkm s LEU 173 CO 0.10 -0.31 1.20 -0.31 0.23 0.00 0.00 176.35 177.26 2qkm s TYR 174 N 1.38 2.92 -0.07 0.29 1.51 0.38 -1.49 117.35 122.27 2qkm s TYR 174 Ca -0.02 1.52 -0.03 0.00 -1.01 0.00 0.00 57.07 57.53 2qkm s TYR 174 Cb -0.19 -3.45 0.04 0.00 -0.11 0.00 0.00 41.96 38.25 2qkm s TYR 174 CO 0.02 -1.58 0.14 -1.50 -1.11 0.00 0.00 175.55 171.52 2qkm s ILE 175 N -1.43 -0.21 -0.41 2.71 2.07 0.12 0.15 121.20 124.20 2qkm s ILE 175 Ca 0.60 0.35 0.02 0.00 -1.41 0.00 0.00 60.65 60.22 2qkm s ILE 175 Cb -0.31 -0.26 0.12 0.00 0.13 0.00 0.00 42.46 42.14 2qkm s ILE 175 CO 0.39 0.15 0.18 -0.63 -1.91 0.00 0.00 174.94 173.12 2qkm s ILE 196 N 2.15 1.67 -0.01 2.00 1.01 -1.26 -4.16 121.20 122.59 2qkm s ILE 196 Ca 0.02 -2.43 -0.01 0.00 0.00 0.00 0.00 60.65 58.24 2qkm s ILE 196 Cb -0.12 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.16 2qkm s ILE 196 CO -0.05 -0.78 0.02 -1.61 0.00 0.00 0.00 174.94 172.52 2qkm s GLU 197 N 0.58 0.02 0.03 2.79 0.41 -1.25 -5.02 118.70 116.27 2qkm s GLU 197 Ca 0.15 0.04 -0.26 0.00 -0.41 0.00 0.00 54.97 54.49 2qkm s GLU 197 Cb -0.22 -0.00 -0.05 0.00 -1.78 0.00 0.00 34.13 32.07 2qkm s GLU 197 CO -0.06 -0.01 0.80 -1.58 -0.49 0.00 0.00 175.26 173.92 2qkm s TRP 198 N 0.07 3.72 0.07 1.61 0.52 -1.26 -1.99 118.94 121.68 2qkm s TRP 198 Ca -0.01 1.51 0.01 0.00 0.02 0.00 0.00 56.10 57.63 2qkm s TRP 198 Cb -0.01 -2.88 -0.04 0.00 -1.15 0.00 0.00 33.47 29.40 2qkm s TRP 198 CO -0.00 0.21 -0.05 -1.01 0.02 0.00 0.00 176.95 176.12 2qkm s HIS 199 N 0.17 0.70 0.27 -1.98 3.76 -0.34 -4.96 115.29 112.91 2qkm s HIS 199 Ca 0.41 -0.90 -0.13 0.00 -0.15 0.00 0.00 55.06 54.29 2qkm s HIS 199 Cb -0.21 -0.44 -0.08 0.00 1.11 0.00 0.00 32.58 32.96 2qkm s HIS 199 CO 0.24 -0.22 0.64 -0.80 -0.85 0.00 0.00 174.74 173.74 2qkm s ASN 200 N -2.75 6.72 0.18 1.40 0.01 -1.26 -0.98 114.94 118.27 2qkm s ASN 200 Ca 0.06 1.11 -0.00 0.00 -0.71 0.00 0.00 52.86 53.32 2qkm s ASN 200 Cb 0.04 -2.30 0.08 0.00 0.41 0.00 0.00 41.25 39.47 2qkm s ASN 200 CO -0.06 -0.12 1.45 -0.07 -1.51 0.00 0.00 177.10 176.79 2qkm h LEU 201 N 2.50 0.44 -0.14 0.60 4.07 -1.47 -3.18 115.31 118.12 2qkm h LEU 201 Ca -0.47 -0.28 -0.10 0.00 0.08 0.00 0.00 57.88 57.10 2qkm h LEU 201 Cb 1.17 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.79 2qkm h LEU 201 CO 0.67 1.01 -0.29 0.24 -1.08 0.00 0.00 178.44 178.99 2qkm h MET 202 N 0.25 0.45 0.00 1.13 2.86 -1.95 -3.24 114.93 114.42 2qkm h MET 202 Ca -0.03 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2qkm h MET 202 Cb 1.28 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.98 2qkm h MET 202 CO 0.12 0.90 0.00 0.38 1.06 0.00 0.00 176.91 179.37 2qkm h ASP 203 N 0.06 0.00 -3.81 1.22 3.04 -1.98 -3.41 116.42 111.54 2qkm h ASP 203 Ca 0.00 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.27 2qkm h ASP 203 Cb 0.89 0.00 0.06 0.00 -1.04 0.00 0.00 39.33 39.24 2qkm h ASP 203 CO 0.06 0.00 0.63 -0.76 -2.04 0.00 0.00 179.24 177.14 2qkm s LEU 204 N -6.08 4.43 -0.55 0.15 1.43 -1.20 -4.83 118.68 112.03 2qkm s LEU 204 Ca 0.03 2.63 -0.18 0.00 -1.03 0.00 0.00 54.13 55.58 2qkm s LEU 204 Cb 0.08 -3.64 -0.17 0.00 0.03 0.00 0.00 46.19 42.48 2qkm s LEU 204 CO 0.57 -0.51 1.61 -2.65 0.23 0.00 0.00 176.35 175.60 2qkm n PRO 205 N 1.05 0.05 -3.25 1.29 -0.02 -1.26 -4.98 135.00 127.87 2qkm n PRO 205 Ca 0.01 -1.00 -0.46 0.00 -2.02 0.00 0.00 63.50 60.03 2qkm n PRO 205 Cb 0.42 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.16 2qkm n PRO 205 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2qkm s THR 206 N 10.07 5.23 0.00 3.45 -1.32 -1.26 -4.86 115.64 126.95 2qkm s THR 206 Ca 0.51 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 2qkm s THR 206 Cb -0.00 -4.44 0.00 0.00 -1.51 0.00 0.00 72.50 66.55 2qkm s THR 206 CO 0.14 -1.01 0.00 0.80 -2.21 0.00 0.00 174.62 172.35 2qkm n MET 221 N 5.14 0.00 0.00 7.08 0.00 -1.26 -5.02 117.12 123.06 2qkm n MET 221 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.68 2qkm n MET 221 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.65 2qkm n MET 221 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2qkm n VAL 222 N 0.00 0.00 -0.03 1.12 0.24 -1.26 -4.54 118.33 113.85 2qkm n VAL 222 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 2qkm n VAL 222 Cb 0.00 -0.06 -0.07 0.00 -1.47 0.00 0.00 33.84 32.24 2qkm n VAL 222 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2qkm h ILE 223 N 0.00 1.28 0.00 1.34 2.04 -2.02 -3.05 117.51 117.10 2qkm h ILE 223 Ca 0.00 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2qkm h ILE 223 Cb 0.09 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2qkm h ILE 223 CO 0.00 0.26 0.00 -2.65 0.00 0.00 0.00 178.15 175.76 2qkm n PRO 224 N -4.78 0.00 0.03 2.37 -0.02 -1.26 -1.83 135.00 129.51 2qkm n PRO 224 Ca -0.06 0.29 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 2qkm n PRO 224 Cb 0.23 -1.51 0.30 0.00 -0.02 0.00 0.00 33.50 32.49 2qkm n PRO 224 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2qkm n PHE 225 N -1.52 0.24 -0.02 6.00 3.01 -1.15 -4.51 117.46 119.51 2qkm n PHE 225 Ca 0.03 0.07 -0.19 0.00 1.01 0.00 0.00 57.45 58.37 2qkm n PHE 225 Cb 0.15 -0.47 -0.13 0.00 -0.01 0.00 0.00 39.48 39.01 2qkm n PHE 225 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2qkm h LEU 226 N 0.00 0.22 -0.98 4.37 3.38 -1.43 -2.39 115.31 118.48 2qkm h LEU 226 Ca 0.00 -0.87 0.09 0.00 0.09 0.00 0.00 57.88 57.19 2qkm h LEU 226 Cb 0.60 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 2qkm h LEU 226 CO 0.00 1.34 0.62 0.00 0.09 0.00 0.00 178.44 180.49 2qkm h ALA 227 N -0.07 1.43 -0.01 1.53 0.00 -1.79 -0.35 119.26 119.99 2qkm h ALA 227 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2qkm h ALA 227 Cb 1.41 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qkm h ALA 227 CO 0.02 0.31 -0.20 -0.35 0.00 0.00 0.00 179.25 179.03 2qkm n PRO 228 N -4.58 0.76 0.13 0.00 -0.05 -1.26 -3.92 135.00 126.08 2qkm n PRO 228 Ca 0.17 -0.38 -0.12 0.00 -0.05 0.00 0.00 63.50 63.12 2qkm n PRO 228 Cb 0.27 -1.49 -0.07 0.00 -0.05 0.00 0.00 33.50 32.16 2qkm n PRO 228 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 2qkm h LEU 229 N 0.93 -0.32 -1.33 1.53 5.85 -0.51 -2.43 115.31 119.03 2qkm h LEU 229 Ca 0.00 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.56 2qkm h LEU 229 Cb 0.45 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 2qkm h LEU 229 CO 0.00 0.14 0.50 0.50 -0.34 0.00 0.00 178.44 179.23 2qkm h LYS 230 N -0.88 0.79 -0.95 1.25 3.64 -1.70 -0.25 116.57 118.47 2qkm h LYS 230 Ca -0.04 -0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.41 2qkm h LYS 230 Cb 0.51 -0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.08 2qkm h LYS 230 CO 0.06 0.53 0.61 -0.22 -2.27 0.00 0.00 179.45 178.16 2qkm h LYS 231 N 0.82 0.89 -0.21 1.90 3.11 -1.67 -0.77 116.57 120.64 2qkm h LYS 231 Ca 0.32 -0.05 -0.16 0.00 -2.81 0.00 0.00 60.65 57.95 2qkm h LYS 231 Cb 0.22 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.24 2qkm h LYS 231 CO -0.11 0.59 -0.52 2.35 -2.81 0.00 0.00 179.45 178.95 2qkm h TRP 232 N 0.92 0.74 0.00 1.91 7.01 -0.57 -3.34 115.95 122.62 2qkm h TRP 232 Ca 0.46 -0.25 -0.62 0.00 2.11 0.00 0.00 58.89 60.58 2qkm h TRP 232 Cb 0.49 -0.14 0.01 0.00 -2.10 0.00 0.00 29.16 27.42 2qkm h TRP 232 CO -0.00 0.99 3.13 -0.89 -2.79 0.00 0.00 178.44 178.88 2qkm n ILE 233 N -3.98 3.26 -2.37 2.65 5.41 -0.29 -3.95 119.36 120.09 2qkm n ILE 233 Ca -0.03 -2.34 0.00 0.00 1.00 0.00 0.00 62.75 61.38 2qkm n ILE 233 Cb 0.59 -2.47 -0.00 0.00 -0.71 0.00 0.00 39.64 37.04 2qkm n ILE 233 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2qkm n LYS 234 N 5.09 0.14 0.00 0.38 4.76 -1.26 -4.94 118.16 122.33 2qkm n LYS 234 Ca 0.59 -1.76 0.00 0.00 -2.87 0.00 0.00 58.31 54.27 2qkm n LYS 234 Cb 0.29 0.07 0.00 0.00 -1.84 0.00 0.00 35.03 33.56 2qkm n LYS 234 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66