#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqb h ILE 3 N 0.00 0.83 -0.16 5.18 6.09 -2.02 -2.44 117.51 124.99 1kqb h ILE 3 Ca 0.00 -0.96 -0.16 0.00 -1.37 0.00 0.00 64.86 62.37 1kqb h ILE 3 Cb 0.00 1.58 -0.01 0.00 0.47 0.00 0.00 36.82 38.86 1kqb h ILE 3 CO 0.00 0.24 -0.56 0.40 -3.07 0.00 0.00 178.15 175.16 1kqb h ILE 4 N 0.00 1.33 -0.41 2.19 1.08 -2.04 -1.33 117.51 118.34 1kqb h ILE 4 Ca -0.00 -1.82 -0.07 0.00 -0.39 0.00 0.00 64.86 62.58 1kqb h ILE 4 Cb 0.56 1.81 -0.02 0.00 -3.07 0.00 0.00 36.82 36.10 1kqb h ILE 4 CO 0.03 0.56 -0.03 0.28 -0.69 0.00 0.00 178.15 178.31 1kqb h SER 5 N 0.38 0.63 -0.16 1.72 0.02 -1.88 -0.93 113.55 113.34 1kqb h SER 5 Ca 0.00 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1kqb h SER 5 Cb 1.09 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 1kqb h SER 5 CO 0.10 0.72 0.06 0.58 -1.14 0.00 0.00 176.83 177.15 1kqb h VAL 6 N 0.62 1.16 -0.86 2.27 2.07 -1.08 -0.40 116.25 120.03 1kqb h VAL 6 Ca 0.12 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1kqb h VAL 6 Cb 0.43 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1kqb h VAL 6 CO 0.02 0.15 0.51 0.00 0.02 0.00 0.00 177.57 178.26 1kqb h ALA 7 N 0.90 1.27 0.00 1.67 0.00 -0.87 0.16 119.26 122.39 1kqb h ALA 7 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1kqb h ALA 7 Cb 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1kqb h ALA 7 CO -0.00 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.14 1kqb n LEU 8 N -4.36 0.80 -0.07 0.00 4.77 -0.39 -4.09 117.00 113.67 1kqb n LEU 8 Ca 0.09 0.60 -0.07 0.00 -0.03 0.00 0.00 56.01 56.60 1kqb n LEU 8 Cb 0.07 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.69 1kqb n LEU 8 CO 0.38 -0.27 -0.94 1.17 -1.33 0.00 0.00 177.39 176.41 1kqb n LYS 9 N -2.28 1.67 -1.34 3.23 3.00 -0.18 -4.90 118.16 117.37 1kqb n LYS 9 Ca 0.05 0.01 -0.35 0.00 -0.00 0.00 0.00 58.31 58.02 1kqb n LYS 9 Cb 0.39 -1.33 0.10 0.00 0.00 0.00 0.00 35.03 34.19 1kqb n LYS 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1kqb n ARG 10 N -2.55 0.53 -3.82 1.64 1.85 0.48 -5.02 116.66 109.77 1kqb n ARG 10 Ca -0.22 0.25 -0.10 0.00 -1.00 0.00 0.00 57.85 56.78 1kqb n ARG 10 Cb 0.90 -2.43 -0.05 0.00 -1.05 0.00 0.00 32.46 29.83 1kqb n ARG 10 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 1kqb s HIS 11 N -1.84 0.08 -0.47 2.89 -3.43 -1.26 -5.00 115.29 106.26 1kqb s HIS 11 Ca 0.76 -0.43 -0.28 0.00 -0.80 0.00 0.00 55.06 54.31 1kqb s HIS 11 Cb -0.33 0.21 0.03 0.00 -1.43 0.00 0.00 32.58 31.06 1kqb s HIS 11 CO 0.47 -0.82 1.11 -1.12 -2.00 0.00 0.00 174.74 172.38 1kqb s SER 12 N -2.90 6.62 0.07 7.38 0.01 -1.26 -4.48 113.70 119.13 1kqb s SER 12 Ca 0.12 0.43 -0.31 0.00 1.31 0.00 0.00 55.95 57.50 1kqb s SER 12 Cb 0.01 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 1kqb s SER 12 CO -0.02 -1.22 1.52 -0.89 0.41 0.00 0.00 173.24 173.04 1kqb s THR 13 N 4.34 3.22 -0.98 1.44 2.01 -0.55 -4.80 115.64 120.30 1kqb s THR 13 Ca 0.46 0.73 0.21 0.00 0.31 0.00 0.00 61.69 63.41 1kqb s THR 13 Cb -0.08 -3.47 -0.23 0.00 0.01 0.00 0.00 72.50 68.73 1kqb s THR 13 CO 0.31 0.02 0.89 0.29 -0.69 0.00 0.00 174.62 175.43 1kqb n LYS 14 N 5.00 0.03 -3.66 4.92 4.76 -1.26 -4.66 118.16 123.28 1kqb n LYS 14 Ca 0.14 -0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.51 1kqb n LYS 14 Cb 0.41 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.03 1kqb n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kqb s ALA 15 N -3.00 -1.53 0.13 7.82 0.00 -1.26 -4.83 121.76 119.09 1kqb s ALA 15 Ca 0.08 1.96 0.04 0.00 0.00 0.00 0.00 51.96 54.03 1kqb s ALA 15 Cb 0.16 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1kqb s ALA 15 CO 0.87 -0.56 0.13 -0.06 0.00 0.00 0.00 175.76 176.13 1kqb s PHE 16 N 2.09 3.20 -0.57 0.00 0.40 -1.26 -1.12 117.98 120.72 1kqb s PHE 16 Ca -0.07 0.04 -0.24 0.00 -0.60 0.00 0.00 56.93 56.06 1kqb s PHE 16 Cb -0.09 -1.57 0.05 0.00 0.51 0.00 0.00 43.02 41.91 1kqb s PHE 16 CO -0.16 0.52 0.95 0.34 0.70 0.00 0.00 175.22 177.57 1kqb s ASP 17 N -2.82 6.31 0.14 1.36 -1.08 -0.03 -4.55 116.67 116.00 1kqb s ASP 17 Ca 0.31 -0.45 0.09 0.00 -0.52 0.00 0.00 52.55 51.98 1kqb s ASP 17 Cb -0.11 -2.44 0.47 0.00 -1.46 0.00 0.00 42.92 39.39 1kqb s ASP 17 CO 0.23 -1.27 1.25 0.00 0.52 0.00 0.00 175.17 175.91 1kqb n ALA 18 N 7.52 0.98 0.66 3.66 0.00 -1.25 -1.78 120.51 130.29 1kqb n ALA 18 Ca 0.01 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1kqb n ALA 18 Cb 0.47 -1.09 0.11 0.00 0.00 0.00 0.00 19.45 18.95 1kqb n ALA 18 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1kqb n SER 19 N -1.80 0.63 -4.53 0.00 3.41 -1.26 -4.83 113.62 105.24 1kqb n SER 19 Ca -0.01 -0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.06 1kqb n SER 19 Cb 0.04 0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 64.40 1kqb n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1kqb s LYS 20 N -3.15 3.42 0.19 4.33 -0.14 -0.74 -5.06 119.74 118.61 1kqb s LYS 20 Ca 0.06 -0.34 0.06 0.00 -1.36 0.00 0.00 55.97 54.39 1kqb s LYS 20 Cb 0.15 -3.88 -0.04 0.00 -1.68 0.00 0.00 37.83 32.38 1kqb s LYS 20 CO 0.76 -0.79 0.15 0.15 -0.76 0.00 0.00 175.35 174.86 1kqb s LYS 21 N 2.46 2.89 0.52 1.68 -0.14 -1.26 -4.43 119.74 121.46 1kqb s LYS 21 Ca 0.18 -0.94 -0.20 0.00 -1.36 0.00 0.00 55.97 53.65 1kqb s LYS 21 Cb -0.15 -2.60 -0.06 0.00 -1.68 0.00 0.00 37.83 33.33 1kqb s LYS 21 CO 0.15 0.45 1.15 -0.51 -0.76 0.00 0.00 175.35 175.84 1kqb s LEU 22 N -3.35 3.82 0.85 3.17 1.43 -1.26 -5.00 118.68 118.34 1kqb s LEU 22 Ca 0.31 2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 55.54 1kqb s LEU 22 Cb -0.09 -4.48 0.10 0.00 0.03 0.00 0.00 46.19 41.75 1kqb s LEU 22 CO 0.24 -1.17 1.13 0.42 0.23 0.00 0.00 176.35 177.19 1kqb s THR 23 N -1.68 2.43 0.19 5.49 -4.23 -1.26 -4.79 115.64 111.79 1kqb s THR 23 Ca 0.70 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 61.24 1kqb s THR 23 Cb -0.26 -2.94 0.10 0.00 1.34 0.00 0.00 72.50 70.73 1kqb s THR 23 CO 0.30 -0.18 1.78 0.00 -0.54 0.00 0.00 174.62 175.98 1kqb h ALA 24 N -1.25 0.70 -0.63 3.99 0.00 -1.99 -0.30 119.26 119.78 1kqb h ALA 24 Ca -0.48 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1kqb h ALA 24 Cb 1.31 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1kqb h ALA 24 CO 0.62 -0.09 0.32 1.49 0.00 0.00 0.00 179.25 181.59 1kqb h GLU 25 N 0.51 0.89 -0.41 0.00 4.81 -2.00 -2.14 114.58 116.24 1kqb h GLU 25 Ca 0.25 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1kqb h GLU 25 Cb 0.18 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1kqb h GLU 25 CO -0.19 0.70 -0.04 0.93 -0.73 0.00 0.00 179.01 179.68 1kqb h GLU 26 N 0.85 0.68 -0.38 1.92 5.08 -1.76 -1.15 114.58 119.83 1kqb h GLU 26 Ca 0.22 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1kqb h GLU 26 Cb 0.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1kqb h GLU 26 CO -0.03 0.73 -0.03 0.00 -1.00 0.00 0.00 179.01 178.68 1kqb h ALA 27 N 1.32 1.25 -0.13 3.43 0.00 -0.68 -1.26 119.26 123.20 1kqb h ALA 27 Ca 0.12 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 1kqb h ALA 27 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1kqb h ALA 27 CO 0.02 0.50 -0.73 0.93 0.00 0.00 0.00 179.25 179.97 1kqb h GLU 28 N 0.58 0.61 -0.39 0.00 4.39 -0.97 -3.21 114.58 115.58 1kqb h GLU 28 Ca 0.12 -0.49 -0.10 0.00 0.34 0.00 0.00 59.36 59.23 1kqb h GLU 28 Cb 0.41 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1kqb h GLU 28 CO 0.02 1.11 -0.17 0.87 -1.16 0.00 0.00 179.01 179.67 1kqb h LYS 29 N 0.42 0.73 0.00 2.33 1.57 -0.68 -2.10 116.57 118.85 1kqb h LYS 29 Ca -0.04 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.39 1kqb h LYS 29 Cb 1.33 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1kqb h LYS 29 CO 0.14 0.86 -0.40 -0.84 -0.57 0.00 0.00 179.45 178.64 1kqb h ILE 30 N 0.65 1.13 -0.25 1.86 3.07 -1.30 -1.66 117.51 121.01 1kqb h ILE 30 Ca 0.10 -1.44 -0.15 0.00 1.55 0.00 0.00 64.86 64.91 1kqb h ILE 30 Cb 0.65 1.81 -0.01 0.00 -0.27 0.00 0.00 36.82 39.01 1kqb h ILE 30 CO 0.05 0.39 -0.47 0.11 -1.05 0.00 0.00 178.15 177.18 1kqb h LYS 31 N 0.00 0.67 -0.86 0.16 1.57 -1.49 -2.27 116.57 114.35 1kqb h LYS 31 Ca -0.00 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 1kqb h LYS 31 Cb 0.78 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 1kqb h LYS 31 CO 0.05 0.99 0.44 1.15 -0.57 0.00 0.00 179.45 181.52 1kqb h THR 32 N 0.53 1.26 -0.36 -0.16 2.02 -0.84 -1.37 112.91 113.99 1kqb h THR 32 Ca 0.03 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 1kqb h THR 32 Cb 1.02 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1kqb h THR 32 CO 0.10 0.30 0.21 -0.07 0.37 0.00 0.00 175.52 176.42 1kqb h LEU 33 N 1.21 0.43 -0.28 2.58 3.38 -1.07 -0.43 115.31 121.14 1kqb h LEU 33 Ca 0.30 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1kqb h LEU 33 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1kqb h LEU 33 CO -0.04 0.37 0.17 -0.07 0.09 0.00 0.00 178.44 178.96 1kqb h LEU 34 N 0.46 0.33 -0.49 1.67 3.38 -1.11 -3.09 115.31 116.45 1kqb h LEU 34 Ca 0.13 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1kqb h LEU 34 Cb 0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1kqb h LEU 34 CO -0.02 0.28 0.19 -0.61 0.09 0.00 0.00 178.44 178.36 1kqb h GLN 35 N 0.35 0.74 -0.30 1.13 4.15 -1.05 -3.26 115.11 116.88 1kqb h GLN 35 Ca 0.10 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1kqb h GLN 35 Cb 0.01 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.58 1kqb h GLN 35 CO -0.02 0.67 0.00 0.66 -1.93 0.00 0.00 178.83 178.21 1kqb n TYR 36 N -4.55 0.40 -1.95 3.99 4.02 -0.19 -4.92 117.16 113.96 1kqb n TYR 36 Ca 0.02 -0.20 -0.39 0.00 -0.01 0.00 0.00 57.90 57.32 1kqb n TYR 36 Cb 0.16 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.49 1kqb n TYR 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1kqb s SER 37 N -1.09 5.88 0.88 7.72 0.15 -1.17 -4.99 113.70 121.08 1kqb s SER 37 Ca 0.23 2.68 -0.13 0.00 0.70 0.00 0.00 55.95 59.44 1kqb s SER 37 Cb 0.12 -2.63 0.13 0.00 -1.71 0.00 0.00 66.02 61.92 1kqb s SER 37 CO 0.17 -1.15 1.19 -2.16 1.20 0.00 0.00 173.24 172.49 1kqb s PRO 38 N -2.57 1.37 -0.02 5.44 0.04 -1.26 -5.00 135.00 133.01 1kqb s PRO 38 Ca 0.63 0.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.46 1kqb s PRO 38 Cb -0.38 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 32.37 1kqb s PRO 38 CO 0.48 -2.00 0.86 -1.54 0.04 0.00 0.00 177.00 174.84 1kqb s SER 39 N -4.44 -0.41 0.08 6.66 1.04 -1.26 -4.74 113.70 110.63 1kqb s SER 39 Ca 0.65 0.14 -0.33 0.00 0.48 0.00 0.00 55.95 56.89 1kqb s SER 39 Cb -0.11 0.40 -0.12 0.00 0.10 0.00 0.00 66.02 66.30 1kqb s SER 39 CO 0.51 -0.60 1.77 -0.24 0.98 0.00 0.00 173.24 175.66 1kqb n SER 40 N 0.02 3.62 -1.11 7.02 2.88 -1.26 -0.79 113.62 124.00 1kqb n SER 40 Ca -0.11 1.01 -0.14 0.00 -1.33 0.00 0.00 58.87 58.31 1kqb n SER 40 Cb 0.61 -1.47 -0.06 0.00 -0.75 0.00 0.00 64.21 62.54 1kqb n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1kqb n THR 41 N 4.43 0.00 -2.99 2.46 -2.24 -1.26 -1.49 114.28 113.19 1kqb n THR 41 Ca 0.19 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.75 1kqb n THR 41 Cb 0.33 -1.60 0.03 0.00 -2.10 0.00 0.00 70.33 66.99 1kqb n THR 41 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1kqb n ASN 42 N -1.10 -5.82 0.26 3.42 5.15 0.03 -4.87 115.26 112.34 1kqb n ASN 42 Ca -0.14 -0.26 0.14 0.00 -0.60 0.00 0.00 54.58 53.72 1kqb n ASN 42 Cb 0.59 -4.72 0.71 0.00 -0.53 0.00 0.00 39.78 35.83 1kqb n ASN 42 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1kqb h SER 43 N -1.19 0.00 -6.86 1.20 4.64 -1.44 -3.47 113.55 106.42 1kqb h SER 43 Ca -0.51 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.27 1kqb h SER 43 Cb 1.36 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.29 1kqb h SER 43 CO 0.56 0.11 -0.86 0.00 -0.87 0.00 0.00 176.83 175.78 1kqb n GLN 44 N -3.44 -0.83 -0.84 4.77 6.02 -1.26 -4.72 117.38 117.08 1kqb n GLN 44 Ca -0.01 0.06 -0.17 0.00 -0.01 0.00 0.00 57.00 56.87 1kqb n GLN 44 Cb 0.28 -2.93 -0.09 0.00 1.02 0.00 0.00 30.24 28.52 1kqb n GLN 44 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1kqb n PRO 45 N -4.22 2.00 -4.15 -1.09 -0.04 -1.26 -4.85 135.00 121.40 1kqb n PRO 45 Ca -0.25 -1.15 -0.11 0.00 -0.04 0.00 0.00 63.50 61.94 1kqb n PRO 45 Cb 0.59 -2.16 -0.09 0.00 -0.04 0.00 0.00 33.50 31.81 1kqb n PRO 45 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1kqb s TRP 46 N 2.03 0.96 -0.10 0.54 -2.14 -1.26 -1.47 118.94 117.50 1kqb s TRP 46 Ca 0.51 -1.21 -0.15 0.00 2.66 0.00 0.00 56.10 57.92 1kqb s TRP 46 Cb 0.20 -0.36 0.03 0.00 -3.10 0.00 0.00 33.47 30.25 1kqb s TRP 46 CO -0.02 -0.74 0.38 -1.58 -2.66 0.00 0.00 176.95 172.33 1kqb s HIS 47 N -4.10 -0.36 -0.04 1.66 2.46 -0.74 -4.89 115.29 109.28 1kqb s HIS 47 Ca 0.35 0.80 0.05 0.00 0.47 0.00 0.00 55.06 56.73 1kqb s HIS 47 Cb 0.05 0.14 -0.01 0.00 -0.13 0.00 0.00 32.58 32.63 1kqb s HIS 47 CO 0.12 -0.28 -0.18 -0.06 -2.47 0.00 0.00 174.74 171.86 1kqb s PHE 48 N -0.33 1.78 -0.24 3.88 0.08 -1.26 -1.11 117.98 120.77 1kqb s PHE 48 Ca -0.05 -0.48 -0.08 0.00 0.12 0.00 0.00 56.93 56.45 1kqb s PHE 48 Cb -0.03 -1.18 -0.03 0.00 -0.57 0.00 0.00 43.02 41.20 1kqb s PHE 48 CO 0.02 -0.14 0.08 0.42 -0.10 0.00 0.00 175.22 175.49 1kqb s ILE 49 N -0.07 4.44 -0.40 0.64 1.01 -0.83 -4.93 121.20 121.05 1kqb s ILE 49 Ca -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 1kqb s ILE 49 Cb -0.11 -3.07 0.11 0.00 0.01 0.00 0.00 42.46 39.40 1kqb s ILE 49 CO 0.02 0.35 0.20 -0.69 0.00 0.00 0.00 174.94 174.81 1kqb s VAL 50 N 1.45 3.32 -0.25 2.92 1.01 -1.26 -0.20 120.40 127.40 1kqb s VAL 50 Ca 0.06 -1.98 -0.15 0.00 0.00 0.00 0.00 61.98 59.90 1kqb s VAL 50 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1kqb s VAL 50 CO 0.04 -0.65 0.39 0.00 0.00 0.00 0.00 175.10 174.88 1kqb s ALA 51 N 1.16 3.57 0.00 5.51 0.00 -0.10 -4.91 121.76 126.99 1kqb s ALA 51 Ca 0.07 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1kqb s ALA 51 Cb -0.23 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1kqb s ALA 51 CO -0.04 -0.54 0.00 -1.13 0.00 0.00 0.00 175.76 174.06 1kqb n SER 52 N 5.05 3.30 -4.86 0.00 3.41 -1.26 -0.68 113.62 118.58 1kqb n SER 52 Ca -0.08 -0.04 -0.31 0.00 -0.26 0.00 0.00 58.87 58.18 1kqb n SER 52 Cb 0.51 0.74 -0.01 0.00 -0.26 0.00 0.00 64.21 65.19 1kqb n SER 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1kqb s THR 53 N -1.40 4.67 0.18 6.66 -4.23 -1.26 -4.89 115.64 115.36 1kqb s THR 53 Ca 0.00 0.93 -0.13 0.00 -1.18 0.00 0.00 61.69 61.31 1kqb s THR 53 Cb 0.00 -3.81 0.07 0.00 1.34 0.00 0.00 72.50 70.10 1kqb s THR 53 CO 0.00 -0.94 1.83 -0.33 -0.54 0.00 0.00 174.62 174.64 1kqb h GLU 54 N 0.22 0.66 -0.55 3.99 4.39 -1.97 -1.32 114.58 120.00 1kqb h GLU 54 Ca -0.45 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.10 1kqb h GLU 54 Cb 1.19 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1kqb h GLU 54 CO 0.62 0.43 -0.09 1.49 -1.16 0.00 0.00 179.01 180.30 1kqb h GLU 55 N 0.68 1.03 -0.27 2.33 4.81 -1.98 -0.86 114.58 120.32 1kqb h GLU 55 Ca 0.21 -0.37 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1kqb h GLU 55 Cb -0.02 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1kqb h GLU 55 CO -0.07 1.06 0.06 0.78 -0.73 0.00 0.00 179.01 180.11 1kqb h GLY 56 N 0.95 0.31 1.20 1.92 0.00 -1.84 0.36 103.07 105.97 1kqb h GLY 56 Ca 0.15 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1kqb h GLY 56 CO 0.05 -0.00 -0.06 0.50 0.00 0.00 0.00 176.54 177.02 1kqb h LYS 57 N 0.17 0.95 -0.64 4.80 1.57 -1.16 -2.54 116.57 119.72 1kqb h LYS 57 Ca 0.12 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1kqb h LYS 57 Cb 0.12 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1kqb h LYS 57 CO -0.15 0.97 0.38 0.00 -0.57 0.00 0.00 179.45 180.08 1kqb h ALA 58 N 1.06 1.47 -0.44 3.86 0.00 -0.56 0.20 119.26 124.85 1kqb h ALA 58 Ca 0.15 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1kqb h ALA 58 Cb 0.59 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1kqb h ALA 58 CO 0.04 0.46 -0.20 0.00 0.00 0.00 0.00 179.25 179.54 1kqb h ARG 59 N 0.88 0.88 -0.39 0.00 3.08 -0.62 -2.53 114.38 115.68 1kqb h ARG 59 Ca 0.23 -0.36 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 1kqb h ARG 59 Cb -0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1kqb h ARG 59 CO -0.04 1.00 -0.17 0.28 -1.07 0.00 0.00 179.97 179.97 1kqb h VAL 60 N 0.77 1.28 -0.05 2.04 2.07 -0.95 -2.88 116.25 118.53 1kqb h VAL 60 Ca 0.11 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.35 1kqb h VAL 60 Cb 0.75 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1kqb h VAL 60 CO 0.06 0.43 0.12 0.00 0.02 0.00 0.00 177.57 178.20 1kqb h ALA 61 N 0.81 1.36 -0.55 1.67 0.00 -0.38 -1.56 119.26 120.60 1kqb h ALA 61 Ca 0.09 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1kqb h ALA 61 Cb 0.71 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1kqb h ALA 61 CO 0.05 -0.15 0.38 0.87 0.00 0.00 0.00 179.25 180.40 1kqb h LYS 62 N 0.00 0.24 0.00 0.00 1.57 -1.23 -0.13 116.57 117.02 1kqb h LYS 62 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1kqb h LYS 62 Cb 0.27 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1kqb h LYS 62 CO -0.00 0.16 0.00 -1.13 -0.57 0.00 0.00 179.45 177.91 1kqb n SER 63 N -4.45 0.52 -2.38 0.86 3.41 -0.59 -3.28 113.62 107.71 1kqb n SER 63 Ca 0.09 0.61 -0.32 0.00 -0.26 0.00 0.00 58.87 59.00 1kqb n SER 63 Cb 0.44 -0.73 0.05 0.00 -0.26 0.00 0.00 64.21 63.72 1kqb n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kqb n ALA 64 N -1.71 6.18 -2.44 7.33 0.00 -0.06 -0.96 120.51 128.84 1kqb n ALA 64 Ca 0.03 -3.25 -0.24 0.00 0.00 0.00 0.00 53.44 49.97 1kqb n ALA 64 Cb 0.25 -1.78 -0.00 0.00 0.00 0.00 0.00 19.45 17.92 1kqb n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kqb s ALA 65 N -3.37 3.63 0.00 0.00 0.00 -1.21 -2.30 121.76 118.52 1kqb s ALA 65 Ca 0.56 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1kqb s ALA 65 Cb 0.44 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1kqb s ALA 65 CO -0.11 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1kqb n GLY 66 N -2.02 3.37 0.36 0.00 0.00 -1.26 -2.79 105.19 102.85 1kqb n GLY 66 Ca -0.01 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1kqb n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kqb h THR 67 N 0.00 0.78 -0.00 2.61 2.02 -1.99 -1.69 112.91 114.64 1kqb h THR 67 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1kqb h THR 67 Cb 0.00 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.27 1kqb h THR 67 CO 0.00 0.15 0.00 -1.22 0.37 0.00 0.00 175.52 174.82 1kqb n TYR 68 N -4.71 0.00 0.26 3.16 4.01 -1.12 -4.23 117.16 114.53 1kqb n TYR 68 Ca 0.22 -0.00 0.18 0.00 -0.16 0.00 0.00 57.90 58.13 1kqb n TYR 68 Cb 0.50 0.00 0.85 0.00 -0.31 0.00 0.00 39.34 40.38 1kqb n TYR 68 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1kqb h VAL 69 N 0.04 0.17 0.00 -0.72 3.04 -0.88 0.67 116.25 118.57 1kqb h VAL 69 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1kqb h VAL 69 Cb 0.01 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 1kqb h VAL 69 CO 0.00 0.00 0.00 2.22 -1.01 0.00 0.00 177.57 178.78 1kqb n PHE 70 N -3.26 0.00 0.64 3.17 1.16 -1.26 -1.39 117.46 116.52 1kqb n PHE 70 Ca 0.01 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.65 1kqb n PHE 70 Cb 0.39 -0.38 -0.02 0.00 -1.61 0.00 0.00 39.48 37.86 1kqb n PHE 70 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1kqb n ASN 71 N -1.38 1.34 0.07 5.98 3.02 0.23 -4.70 115.26 119.83 1kqb n ASN 71 Ca 0.03 -1.17 -0.12 0.00 -0.03 0.00 0.00 54.58 53.29 1kqb n ASN 71 Cb 0.08 0.57 -0.07 0.00 -0.61 0.00 0.00 39.78 39.76 1kqb n ASN 71 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1kqb h GLU 72 N 1.29 -0.13 0.00 3.52 4.81 -1.33 -2.95 114.58 119.79 1kqb h GLU 72 Ca 0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1kqb h GLU 72 Cb 0.46 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1kqb h GLU 72 CO 0.00 -0.09 -0.15 0.00 -0.73 0.00 0.00 179.01 178.04 1kqb h ARG 73 N -0.14 0.00 -0.53 1.92 2.47 -1.84 -1.64 114.38 114.63 1kqb h ARG 73 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1kqb h ARG 73 Cb 0.13 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 1kqb h ARG 73 CO -0.02 0.15 0.23 0.87 0.56 0.00 0.00 179.97 181.76 1kqb h LYS 74 N 0.00 0.78 -0.21 0.04 1.57 -1.82 0.09 116.57 117.02 1kqb h LYS 74 Ca -0.00 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 1kqb h LYS 74 Cb 0.27 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1kqb h LYS 74 CO 0.02 0.67 -0.50 0.52 -0.57 0.00 0.00 179.45 179.58 1kqb h MET 75 N 0.72 0.57 -0.03 3.15 2.86 -1.30 -2.76 114.93 118.15 1kqb h MET 75 Ca 0.18 -0.34 -0.25 0.00 -2.06 0.00 0.00 59.70 57.23 1kqb h MET 75 Cb 0.16 0.03 0.02 0.00 0.06 0.00 0.00 31.60 31.87 1kqb h MET 75 CO -0.02 0.94 -0.96 -0.07 1.06 0.00 0.00 176.91 177.87 1kqb h LEU 76 N 0.45 0.89 0.00 1.22 3.38 -1.11 -3.36 115.31 116.78 1kqb h LEU 76 Ca 0.02 -0.72 -0.16 0.00 0.09 0.00 0.00 57.88 57.11 1kqb h LEU 76 Cb 1.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1kqb h LEU 76 CO 0.10 1.49 -0.94 0.44 0.09 0.00 0.00 178.44 179.61 1kqb h ASP 77 N 0.38 0.00 -4.22 -0.43 3.32 -1.06 -3.47 116.42 110.94 1kqb h ASP 77 Ca -0.11 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.41 1kqb h ASP 77 Cb 1.61 0.00 0.18 0.00 0.22 0.00 0.00 39.33 41.34 1kqb h ASP 77 CO 0.19 0.67 0.32 0.00 -1.72 0.00 0.00 179.24 178.70 1kqb s ALA 78 N -2.87 1.80 -0.05 3.45 0.00 -1.04 -3.81 121.76 119.24 1kqb s ALA 78 Ca 0.01 0.75 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 1kqb s ALA 78 Cb 0.08 -3.47 -0.18 0.00 0.00 0.00 0.00 23.12 19.56 1kqb s ALA 78 CO 0.79 -2.33 0.95 1.03 0.00 0.00 0.00 175.76 176.20 1kqb h SER 79 N -1.08 -0.13 -3.45 0.00 0.87 -1.42 -3.45 113.55 104.89 1kqb h SER 79 Ca -0.45 -0.44 -0.56 0.00 -1.23 0.00 0.00 61.79 59.11 1kqb h SER 79 Cb 1.28 0.03 -0.33 0.00 -0.44 0.00 0.00 62.40 62.95 1kqb h SER 79 CO 0.46 0.45 -0.83 -1.00 -0.53 0.00 0.00 176.83 175.38 1kqb s HIS 80 N -3.51 1.74 -0.24 2.24 3.76 -0.81 -4.45 115.29 114.04 1kqb s HIS 80 Ca -0.14 -0.65 -0.02 0.00 -0.15 0.00 0.00 55.06 54.10 1kqb s HIS 80 Cb 0.00 -1.23 0.02 0.00 1.11 0.00 0.00 32.58 32.48 1kqb s HIS 80 CO 0.54 -0.30 -0.06 0.08 -0.85 0.00 0.00 174.74 174.15 1kqb s VAL 81 N 0.52 2.96 -0.22 -0.90 1.01 0.15 0.58 120.40 124.50 1kqb s VAL 81 Ca -0.14 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 1kqb s VAL 81 Cb -0.16 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1kqb s VAL 81 CO 0.05 0.28 0.21 -0.69 0.00 0.00 0.00 175.10 174.95 1kqb s VAL 82 N 1.37 5.33 -0.35 2.92 1.01 -0.51 -0.93 120.40 129.24 1kqb s VAL 82 Ca 0.02 0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 1kqb s VAL 82 Cb -0.16 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1kqb s VAL 82 CO -0.05 0.34 0.22 -0.69 0.00 0.00 0.00 175.10 174.92 1kqb s VAL 83 N 0.99 4.92 -0.23 2.92 1.01 0.72 0.29 120.40 131.02 1kqb s VAL 83 Ca 0.10 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 1kqb s VAL 83 Cb -0.13 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 1kqb s VAL 83 CO 0.04 -0.09 0.86 -0.36 0.00 0.00 0.00 175.10 175.55 1kqb s PHE 84 N 1.64 3.33 0.11 5.22 0.40 0.73 -1.96 117.98 127.45 1kqb s PHE 84 Ca 0.05 1.19 0.10 0.00 -0.60 0.00 0.00 56.93 57.67 1kqb s PHE 84 Cb -0.18 -3.07 -0.04 0.00 0.51 0.00 0.00 43.02 40.24 1kqb s PHE 84 CO 0.08 -0.39 -0.25 0.00 0.70 0.00 0.00 175.22 175.36 1kqb s ALA 86 N -1.05 2.85 0.66 0.00 0.00 -0.56 -1.80 121.76 121.86 1kqb s ALA 86 Ca 0.11 -1.26 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 1kqb s ALA 86 Cb -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1kqb s ALA 86 CO 0.05 0.62 1.18 0.15 0.00 0.00 0.00 175.76 177.76 1kqb s LYS 87 N -2.07 2.62 0.16 0.00 1.02 -0.54 -1.72 119.74 119.22 1kqb s LYS 87 Ca 0.19 1.68 0.24 0.00 0.02 0.00 0.00 55.97 58.10 1kqb s LYS 87 Cb -0.11 -1.90 0.27 0.00 -0.52 0.00 0.00 37.83 35.57 1kqb s LYS 87 CO 0.11 -1.44 1.28 1.79 -0.92 0.00 0.00 175.35 176.17 1kqb h THR 88 N 0.23 0.00 -2.05 2.17 1.35 -1.62 -3.46 112.91 109.53 1kqb h THR 88 Ca -0.48 -0.65 -0.05 0.00 -0.55 0.00 0.00 66.41 64.68 1kqb h THR 88 Cb 1.28 1.24 -0.21 0.00 -1.73 0.00 0.00 68.15 68.74 1kqb h THR 88 CO 0.53 0.00 0.12 0.00 -0.25 0.00 0.00 175.52 175.92 1kqb s ALA 89 N -3.22 -1.73 -0.53 6.62 0.00 -1.26 -4.68 121.76 116.97 1kqb s ALA 89 Ca 0.05 1.83 -0.22 0.00 0.00 0.00 0.00 51.96 53.62 1kqb s ALA 89 Cb 0.12 -0.92 0.05 0.00 0.00 0.00 0.00 23.12 22.37 1kqb s ALA 89 CO 0.73 -0.34 0.80 1.41 0.00 0.00 0.00 175.76 178.36 1kqb s MET 90 N 0.06 3.24 0.28 0.00 1.75 -1.26 -5.04 119.30 118.33 1kqb s MET 90 Ca -0.02 -0.54 -0.05 0.00 -1.25 0.00 0.00 55.69 53.82 1kqb s MET 90 Cb -0.04 -4.07 -0.05 0.00 2.84 0.00 0.00 34.83 33.51 1kqb s MET 90 CO 0.03 -1.36 0.55 0.16 -0.65 0.00 0.00 175.02 173.74 1kqb s ASP 91 N 2.76 6.46 0.28 1.11 -4.77 -1.26 -5.00 116.67 116.25 1kqb s ASP 91 Ca 0.23 0.73 -0.02 0.00 -3.30 0.00 0.00 52.55 50.19 1kqb s ASP 91 Cb -0.15 -2.15 0.41 0.00 -1.09 0.00 0.00 42.92 39.94 1kqb s ASP 91 CO 0.16 -0.18 1.91 0.44 0.70 0.00 0.00 175.17 178.20 1kqb h ASP 92 N 1.77 1.02 -0.66 2.11 3.32 -1.99 -2.30 116.42 119.69 1kqb h ASP 92 Ca -0.48 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 56.66 1kqb h ASP 92 Cb 1.19 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.44 1kqb h ASP 92 CO 0.66 0.69 0.31 0.00 -1.72 0.00 0.00 179.24 179.18 1kqb h ALA 93 N 1.46 0.88 -0.63 3.45 0.00 -1.99 0.73 119.26 123.16 1kqb h ALA 93 Ca 0.39 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 1kqb h ALA 93 Cb 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1kqb h ALA 93 CO -0.13 -0.09 0.23 2.35 0.00 0.00 0.00 179.25 181.61 1kqb h TRP 94 N 0.54 0.98 -0.68 0.00 2.91 -1.83 0.09 115.95 117.96 1kqb h TRP 94 Ca 0.32 -0.08 -0.04 0.00 1.13 0.00 0.00 58.89 60.22 1kqb h TRP 94 Cb 0.34 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 28.67 1kqb h TRP 94 CO -0.12 0.79 0.27 -0.07 -1.03 0.00 0.00 178.44 178.27 1kqb h LEU 95 N 0.89 0.94 -0.65 0.65 3.38 -1.01 -2.05 115.31 117.46 1kqb h LEU 95 Ca 0.21 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1kqb h LEU 95 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1kqb h LEU 95 CO -0.01 0.86 0.03 -0.33 0.09 0.00 0.00 178.44 179.07 1kqb h GLU 96 N 0.97 1.07 -0.47 1.13 4.39 -0.57 -2.84 114.58 118.26 1kqb h GLU 96 Ca 0.23 -0.33 0.06 0.00 0.34 0.00 0.00 59.36 59.66 1kqb h GLU 96 Cb 0.21 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 1kqb h GLU 96 CO -0.02 1.03 0.18 0.00 -1.16 0.00 0.00 179.01 179.04 1kqb h ARG 97 N 0.99 0.35 -0.06 2.33 3.08 -0.53 0.66 114.38 121.21 1kqb h ARG 97 Ca 0.18 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.21 1kqb h ARG 97 Cb 0.53 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1kqb h ARG 97 CO 0.03 0.23 0.01 0.28 -1.07 0.00 0.00 179.97 179.45 1kqb h VAL 98 N 0.36 0.98 -0.44 2.04 2.07 -1.20 0.11 116.25 120.17 1kqb h VAL 98 Ca 0.22 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.61 1kqb h VAL 98 Cb 0.21 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1kqb h VAL 98 CO -0.21 0.01 -0.19 1.62 0.02 0.00 0.00 177.57 178.82 1kqb h VAL 99 N 0.04 1.27 -0.11 2.57 3.04 -1.27 -1.18 116.25 120.61 1kqb h VAL 99 Ca 0.02 -1.32 -0.07 0.00 -1.01 0.00 0.00 66.70 64.32 1kqb h VAL 99 Cb 0.01 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 1kqb h VAL 99 CO -0.03 0.45 -0.27 0.44 -1.01 0.00 0.00 177.57 177.15 1kqb h ASP 100 N 0.76 0.20 -0.16 3.17 3.32 -0.65 -0.35 116.42 122.71 1kqb h ASP 100 Ca 0.11 -0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.89 1kqb h ASP 100 Cb 0.72 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.22 1kqb h ASP 100 CO 0.06 0.48 -0.68 -0.61 -1.72 0.00 0.00 179.24 176.76 1kqb h GLN 101 N 0.19 0.79 -0.33 3.56 5.75 -0.44 -0.18 115.11 124.44 1kqb h GLN 101 Ca 0.03 -0.58 -0.08 0.00 -0.15 0.00 0.00 58.65 57.86 1kqb h GLN 101 Cb 0.58 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 1kqb h GLN 101 CO 0.04 1.20 -0.14 0.93 -2.65 0.00 0.00 178.83 178.22 1kqb h GLU 102 N 0.57 0.59 -0.05 1.69 5.08 -0.74 0.10 114.58 121.81 1kqb h GLU 102 Ca -0.02 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1kqb h GLU 102 Cb 1.30 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1kqb h GLU 102 CO 0.14 0.71 -0.01 1.49 -1.00 0.00 0.00 179.01 180.34 1kqb h GLU 103 N 0.54 0.10 -0.56 2.33 4.81 -0.96 -0.73 114.58 120.10 1kqb h GLU 103 Ca 0.09 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1kqb h GLU 103 Cb 0.55 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1kqb h GLU 103 CO 0.03 0.42 0.38 0.00 -0.73 0.00 0.00 179.01 179.11 1kqb h ALA 104 N 0.68 1.86 -0.03 2.92 0.00 -0.70 0.14 119.26 124.13 1kqb h ALA 104 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kqb h ALA 104 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1kqb h ALA 104 CO 0.00 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.04 1kqb n ASP 105 N -4.47 0.37 -1.06 0.00 8.00 0.33 -4.92 116.55 114.79 1kqb n ASP 105 Ca 0.08 -1.36 -0.08 0.00 0.71 0.00 0.00 54.79 54.14 1kqb n ASP 105 Cb 0.25 -0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.34 1kqb n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kqb n GLY 106 N 0.92 0.19 0.19 0.44 0.00 0.48 -4.95 105.19 102.46 1kqb n GLY 106 Ca 0.17 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.82 1kqb n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kqb n ARG 107 N -1.81 0.85 -4.07 1.61 1.74 -0.31 -4.74 116.66 109.92 1kqb n ARG 107 Ca -0.06 -0.38 -0.32 0.00 -0.77 0.00 0.00 57.85 56.33 1kqb n ARG 107 Cb 0.55 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.35 1kqb n ARG 107 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1kqb s PHE 108 N -2.41 3.20 0.13 -1.55 0.08 -1.26 -4.97 117.98 111.19 1kqb s PHE 108 Ca 0.29 -2.25 0.19 0.00 0.12 0.00 0.00 56.93 55.28 1kqb s PHE 108 Cb 0.20 -1.92 0.66 0.00 -0.57 0.00 0.00 43.02 41.38 1kqb s PHE 108 CO 0.47 -0.87 1.72 -0.91 -0.10 0.00 0.00 175.22 175.53 1kqb h ASN 109 N 7.79 0.00 -5.04 1.36 4.21 -1.97 -3.46 115.58 118.47 1kqb h ASN 109 Ca -0.22 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.13 1kqb h ASN 109 Cb 1.05 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 38.10 1kqb h ASN 109 CO 0.48 0.36 -0.68 0.42 -1.29 0.00 0.00 177.43 176.72 1kqb s THR 110 N -3.55 0.37 0.45 2.81 -4.23 -1.26 -5.04 115.64 105.19 1kqb s THR 110 Ca 0.01 -1.86 0.14 0.00 -1.18 0.00 0.00 61.69 58.79 1kqb s THR 110 Cb 0.10 -1.63 0.20 0.00 1.34 0.00 0.00 72.50 72.52 1kqb s THR 110 CO 0.68 -0.91 2.01 -0.65 -0.54 0.00 0.00 174.62 175.22 1kqb h PRO 111 N 3.06 0.06 -0.37 3.99 0.11 -2.00 -1.46 132.00 135.39 1kqb h PRO 111 Ca -0.35 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.67 1kqb h PRO 111 Cb 1.15 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1kqb h PRO 111 CO 0.65 0.19 -0.11 0.93 -0.21 0.00 0.00 178.00 179.45 1kqb h GLU 112 N 0.06 0.64 -0.43 1.05 3.07 -1.98 -0.80 114.58 116.18 1kqb h GLU 112 Ca 0.01 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 58.63 1kqb h GLU 112 Cb 0.25 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1kqb h GLU 112 CO 0.02 0.73 0.09 0.00 -1.40 0.00 0.00 179.01 178.45 1kqb h ALA 113 N 1.30 0.57 -0.51 3.43 0.00 -1.67 -0.57 119.26 121.81 1kqb h ALA 113 Ca 0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1kqb h ALA 113 Cb 0.53 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1kqb h ALA 113 CO 0.03 0.26 0.10 -0.22 0.00 0.00 0.00 179.25 179.43 1kqb h LYS 114 N 0.56 0.82 -0.60 0.00 3.64 -1.21 -2.36 116.57 117.43 1kqb h LYS 114 Ca 0.13 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1kqb h LYS 114 Cb 0.33 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1kqb h LYS 114 CO 0.00 0.80 0.40 0.00 -2.27 0.00 0.00 179.45 178.39 1kqb h ALA 115 N 0.98 0.76 -0.88 5.00 0.00 -0.96 0.26 119.26 124.43 1kqb h ALA 115 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1kqb h ALA 115 Cb 0.37 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1kqb h ALA 115 CO 0.01 0.19 0.55 0.00 0.00 0.00 0.00 179.25 180.00 1kqb h ALA 116 N 1.22 1.12 -0.33 0.00 0.00 -0.93 0.20 119.26 120.55 1kqb h ALA 116 Ca 0.22 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1kqb h ALA 116 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 1kqb h ALA 116 CO -0.05 0.56 -0.10 -0.97 0.00 0.00 0.00 179.25 178.69 1kqb h ASN 117 N 1.20 0.66 -0.51 0.00 -0.73 -0.88 -1.30 115.58 114.02 1kqb h ASN 117 Ca 0.32 -0.38 -0.03 0.00 1.87 0.00 0.00 56.30 58.08 1kqb h ASN 117 Cb -0.08 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.31 1kqb h ASN 117 CO -0.06 0.89 0.20 -0.74 -0.37 0.00 0.00 177.43 177.34 1kqb h HIS 118 N 0.42 0.78 -0.20 0.67 2.76 -0.59 -1.87 115.15 117.12 1kqb h HIS 118 Ca 0.08 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1kqb h HIS 118 Cb 0.61 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 1kqb h HIS 118 CO 0.05 0.65 0.11 -0.22 -1.30 0.00 0.00 177.93 177.22 1kqb h LYS 119 N 0.68 0.22 -0.16 5.26 3.64 -0.50 -1.47 116.57 124.23 1kqb h LYS 119 Ca 0.17 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1kqb h LYS 119 Cb 0.21 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1kqb h LYS 119 CO -0.01 0.14 0.10 0.78 -2.27 0.00 0.00 179.45 178.19 1kqb h GLY 120 N 0.22 0.22 0.98 5.01 0.00 -1.06 -1.33 103.07 107.11 1kqb h GLY 120 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1kqb h GLY 120 CO -0.05 0.08 0.28 -0.09 0.00 0.00 0.00 176.54 176.76 1kqb h ARG 121 N 0.21 0.71 -0.33 4.80 2.43 -1.23 -2.67 114.38 118.29 1kqb h ARG 121 Ca 0.06 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1kqb h ARG 121 Cb -0.02 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1kqb h ARG 121 CO -0.02 0.55 0.19 1.15 -1.51 0.00 0.00 179.97 180.33 1kqb h THR 122 N 0.68 1.04 -0.32 0.20 2.02 -1.10 0.17 112.91 115.60 1kqb h THR 122 Ca 0.18 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 67.28 1kqb h THR 122 Cb 0.04 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 1kqb h THR 122 CO -0.03 0.07 -0.00 0.22 0.37 0.00 0.00 175.52 176.15 1kqb h TYR 123 N 0.40 -0.02 0.00 3.16 5.03 -1.03 0.23 116.97 124.73 1kqb h TYR 123 Ca 0.13 0.02 -0.21 0.00 2.58 0.00 0.00 58.73 61.26 1kqb h TYR 123 Cb -0.00 0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.30 1kqb h TYR 123 CO -0.07 -0.06 -1.00 0.74 -1.32 0.00 0.00 178.16 176.45 1kqb h PHE 124 N 0.09 0.00 -0.47 -3.82 0.04 -1.32 -1.75 116.94 109.72 1kqb h PHE 124 Ca 0.15 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 1kqb h PHE 124 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1kqb h PHE 124 CO -0.23 0.96 0.10 0.00 -0.60 0.00 0.00 178.31 178.54 1kqb h ALA 125 N 1.04 0.62 -0.33 2.45 0.00 -0.47 -2.58 119.26 119.98 1kqb h ALA 125 Ca -0.02 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1kqb h ALA 125 Cb 1.75 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1kqb h ALA 125 CO 0.12 0.32 -0.17 -0.44 0.00 0.00 0.00 179.25 179.08 1kqb h ASP 126 N 0.64 0.60 -0.83 0.00 5.19 -0.94 0.13 116.42 121.20 1kqb h ASP 126 Ca 0.15 -0.18 0.10 0.00 -0.62 0.00 0.00 57.03 56.47 1kqb h ASP 126 Cb 0.35 -0.16 -0.06 0.00 0.18 0.00 0.00 39.33 39.63 1kqb h ASP 126 CO 0.00 0.78 0.54 -0.03 -3.12 0.00 0.00 179.24 177.42 1kqb h MET 127 N 0.55 0.77 0.15 3.56 4.05 -0.93 0.35 114.93 123.43 1kqb h MET 127 Ca 0.09 -0.05 -0.36 0.00 -0.28 0.00 0.00 59.70 59.11 1kqb h MET 127 Cb 0.60 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1kqb h MET 127 CO 0.04 0.51 -1.86 0.45 0.23 0.00 0.00 176.91 176.28 1kqb h HIS 128 N 0.79 0.59 -0.00 1.39 3.86 -1.19 0.57 115.15 121.16 1kqb h HIS 128 Ca 0.38 -0.43 -0.13 0.00 -1.16 0.00 0.00 60.37 59.03 1kqb h HIS 128 Cb 0.43 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1kqb h HIS 128 CO -0.00 1.71 -0.63 0.00 0.86 0.00 0.00 177.93 179.86 1kqb h ARG 129 N 0.09 0.00 0.00 2.45 3.08 -0.45 0.19 114.38 119.74 1kqb h ARG 129 Ca -0.38 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1kqb h ARG 129 Cb 2.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.12 1kqb h ARG 129 CO 0.14 0.64 -0.09 0.28 -1.07 0.00 0.00 179.97 179.86 1kqb n VAL 130 N -3.79 1.08 -0.09 2.04 0.31 0.12 -4.34 118.33 113.67 1kqb n VAL 130 Ca -0.01 0.33 -0.06 0.00 -0.01 0.00 0.00 64.34 64.59 1kqb n VAL 130 Cb 0.63 -1.58 -0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1kqb n VAL 130 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1kqb h ASP 131 N -0.09 -0.37 0.00 4.52 5.19 -1.38 -3.24 116.42 121.05 1kqb h ASP 131 Ca 0.00 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1kqb h ASP 131 Cb 0.09 0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1kqb h ASP 131 CO 0.00 -0.14 -1.17 0.18 -3.12 0.00 0.00 179.24 174.99 1kqb n LEU 132 N -5.29 0.44 -3.94 1.55 4.77 0.18 -5.00 117.00 109.71 1kqb n LEU 132 Ca 0.01 -0.29 -0.27 0.00 -0.03 0.00 0.00 56.01 55.42 1kqb n LEU 132 Cb 0.20 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1kqb n LEU 132 CO 0.18 0.11 -0.10 0.29 -1.33 0.00 0.00 177.39 176.53 1kqb n LYS 133 N -1.67 -4.02 -0.87 3.23 4.76 -0.35 -4.87 118.16 114.37 1kqb n LYS 133 Ca 0.00 0.48 0.04 0.00 -2.87 0.00 0.00 58.31 55.96 1kqb n LYS 133 Cb 0.32 -4.94 0.06 0.00 -1.84 0.00 0.00 35.03 28.63 1kqb n LYS 133 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1kqb n ASP 134 N -2.92 0.96 0.29 4.39 5.75 0.52 -4.85 116.55 120.69 1kqb n ASP 134 Ca -0.18 -2.43 0.14 0.00 -0.01 0.00 0.00 54.79 52.31 1kqb n ASP 134 Cb 0.62 -0.32 0.85 0.00 -1.03 0.00 0.00 41.12 41.24 1kqb n ASP 134 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1kqb h ASP 135 N 0.57 0.00 -0.37 -1.12 2.03 -1.84 -0.71 116.42 114.98 1kqb h ASP 135 Ca -0.09 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.16 1kqb h ASP 135 Cb 1.49 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.98 1kqb h ASP 135 CO 0.04 0.01 0.04 -2.24 -1.03 0.00 0.00 179.24 176.06 1kqb h ASP 136 N 0.00 0.62 -0.03 4.15 -0.00 -1.89 -0.71 116.42 118.56 1kqb h ASP 136 Ca -0.00 -0.28 -0.15 0.00 -0.00 0.00 0.00 57.03 56.60 1kqb h ASP 136 Cb 0.02 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 39.18 1kqb h ASP 136 CO 0.00 0.74 -0.49 1.56 -0.00 0.00 0.00 179.24 181.06 1kqb h GLN 137 N 0.47 0.59 -0.38 4.15 1.08 -1.67 -2.07 115.11 117.28 1kqb h GLN 137 Ca 0.11 -0.34 -0.02 0.00 -1.45 0.00 0.00 58.65 56.95 1kqb h GLN 137 Cb 0.40 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1kqb h GLN 137 CO 0.01 0.95 0.18 2.35 -0.95 0.00 0.00 178.83 181.36 1kqb h TRP 138 N 0.47 0.55 -0.33 2.96 7.01 -1.00 -1.18 115.95 124.43 1kqb h TRP 138 Ca 0.02 -0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.86 1kqb h TRP 138 Cb 1.02 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.90 1kqb h TRP 138 CO 0.04 0.47 -0.32 0.52 -2.79 0.00 0.00 178.44 176.37 1kqb h MET 139 N 0.47 0.72 -0.72 2.65 2.86 -1.10 -2.59 114.93 117.23 1kqb h MET 139 Ca 0.13 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1kqb h MET 139 Cb 0.14 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1kqb h MET 139 CO -0.02 0.95 0.38 0.00 1.06 0.00 0.00 176.91 179.28 1kqb h ALA 140 N 1.03 1.31 -0.71 6.32 0.00 -1.16 -1.45 119.26 124.60 1kqb h ALA 140 Ca 0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1kqb h ALA 140 Cb 0.84 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1kqb h ALA 140 CO 0.07 0.55 0.26 0.87 0.00 0.00 0.00 179.25 181.00 1kqb h LYS 141 N 1.01 1.07 -0.40 0.00 1.57 -0.88 -1.59 116.57 117.35 1kqb h LYS 141 Ca 0.25 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1kqb h LYS 141 Cb 0.05 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1kqb h LYS 141 CO -0.04 0.89 -0.02 1.96 -0.57 0.00 0.00 179.45 181.67 1kqb h GLN 142 N 1.04 0.64 -0.50 3.15 1.08 -0.93 -1.70 115.11 117.90 1kqb h GLN 142 Ca 0.24 -0.16 -0.11 0.00 -1.45 0.00 0.00 58.65 57.16 1kqb h GLN 142 Cb 0.24 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1kqb h GLN 142 CO -0.02 0.68 -0.14 0.28 -0.95 0.00 0.00 178.83 178.69 1kqb h VAL 143 N 0.61 1.27 -0.17 -0.54 2.07 -0.65 -1.33 116.25 117.51 1kqb h VAL 143 Ca 0.12 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.28 1kqb h VAL 143 Cb 0.41 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1kqb h VAL 143 CO 0.02 0.44 -0.27 1.88 0.02 0.00 0.00 177.57 179.66 1kqb h TYR 144 N 0.84 0.35 -0.46 1.57 -1.99 -0.94 -0.49 116.97 115.86 1kqb h TYR 144 Ca 0.13 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 60.76 1kqb h TYR 144 Cb 0.68 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.31 1kqb h TYR 144 CO 0.04 0.56 0.17 1.25 -0.00 0.00 0.00 178.16 180.19 1kqb h LEU 145 N 0.28 0.65 -0.68 3.88 6.46 -0.89 -1.10 115.31 123.91 1kqb h LEU 145 Ca 0.04 -0.18 0.06 0.00 -0.12 0.00 0.00 57.88 57.67 1kqb h LEU 145 Cb 0.63 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.34 1kqb h LEU 145 CO 0.05 0.66 0.38 -1.13 -0.62 0.00 0.00 178.44 177.78 1kqb h ASN 146 N 0.61 0.58 -0.67 1.25 -0.73 -0.51 -1.14 115.58 114.95 1kqb h ASN 146 Ca 0.15 0.03 0.03 0.00 1.87 0.00 0.00 56.30 58.38 1kqb h ASN 146 Cb 0.22 -0.09 -0.04 0.00 0.27 0.00 0.00 38.32 38.68 1kqb h ASN 146 CO -0.01 0.38 0.42 0.58 -0.37 0.00 0.00 177.43 178.42 1kqb h VAL 147 N 0.71 1.08 -0.77 2.57 2.07 -0.45 0.11 116.25 121.57 1kqb h VAL 147 Ca 0.30 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1kqb h VAL 147 Cb 0.17 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1kqb h VAL 147 CO -0.17 0.15 0.44 1.23 0.02 0.00 0.00 177.57 179.24 1kqb h GLY 148 N 0.81 1.14 0.92 2.17 0.00 -0.28 0.22 103.07 108.06 1kqb h GLY 148 Ca 0.27 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1kqb h GLY 148 CO -0.11 0.48 0.10 -0.57 0.00 0.00 0.00 176.54 176.44 1kqb h ASN 149 N 1.07 0.26 -0.05 0.19 -1.24 -0.66 -2.99 115.58 112.16 1kqb h ASN 149 Ca 0.27 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1kqb h ASN 149 Cb 0.01 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 1kqb h ASN 149 CO -0.05 0.30 0.01 0.15 -1.29 0.00 0.00 177.43 176.56 1kqb h PHE 150 N 0.20 0.03 -0.82 0.67 3.57 -0.25 -0.75 116.94 119.58 1kqb h PHE 150 Ca 0.07 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1kqb h PHE 150 Cb 0.11 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 1kqb h PHE 150 CO -0.03 0.01 0.53 -0.07 -2.23 0.00 0.00 178.31 176.53 1kqb h LEU 151 N 0.04 0.89 -0.43 0.59 3.38 -0.97 0.66 115.31 119.47 1kqb h LEU 151 Ca 0.02 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1kqb h LEU 151 Cb 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1kqb h LEU 151 CO -0.02 0.62 -0.37 0.25 0.09 0.00 0.00 178.44 179.01 1kqb h LEU 152 N 1.05 0.97 0.34 1.67 5.85 -1.42 -2.25 115.31 121.52 1kqb h LEU 152 Ca 0.32 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1kqb h LEU 152 Cb -0.03 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.73 1kqb h LEU 152 CO -0.10 1.22 -0.16 1.23 -0.34 0.00 0.00 178.44 180.29 1kqb h GLY 153 N 0.82 -0.48 1.72 3.75 0.00 -0.36 -0.25 103.07 108.28 1kqb h GLY 153 Ca 0.06 0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 1kqb h GLY 153 CO 0.09 -0.17 0.04 -0.39 0.00 0.00 0.00 176.54 176.10 1kqb h VAL 154 N -0.46 1.13 -0.58 4.60 -1.51 -0.94 -1.76 116.25 116.73 1kqb h VAL 154 Ca -0.05 -0.49 -0.03 0.00 -1.23 0.00 0.00 66.70 64.91 1kqb h VAL 154 Cb 0.35 0.91 -0.03 0.00 -2.13 0.00 0.00 31.29 30.39 1kqb h VAL 154 CO 0.08 0.17 0.26 1.23 -1.23 0.00 0.00 177.57 178.08 1kqb h GLY 155 N 0.60 0.91 2.00 5.19 0.00 -0.93 -0.59 103.07 110.26 1kqb h GLY 155 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1kqb h GLY 155 CO -0.00 0.45 0.00 0.00 0.00 0.00 0.00 176.54 176.99 1kqb h ALA 156 N 1.10 1.00 -0.00 3.60 0.00 -0.22 -1.64 119.26 123.10 1kqb h ALA 156 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1kqb h ALA 156 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1kqb h ALA 156 CO -0.02 0.00 -0.22 -1.33 0.00 0.00 0.00 179.25 177.68 1kqb n MET 157 N -2.69 0.57 -0.73 0.00 2.81 -0.71 -4.91 117.12 111.47 1kqb n MET 157 Ca 0.01 -0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 1kqb n MET 157 Cb 0.25 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1kqb n MET 157 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kqb n GLY 158 N 1.35 0.59 3.90 3.03 0.00 -0.62 -5.05 105.19 108.39 1kqb n GLY 158 Ca 0.12 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1kqb n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kqb s LEU 159 N 0.00 4.28 0.20 0.99 1.43 -0.31 -5.02 118.68 120.25 1kqb s LEU 159 Ca 0.00 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1kqb s LEU 159 Cb 0.00 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 1kqb s LEU 159 CO 0.00 0.16 0.37 -1.81 0.23 0.00 0.00 176.35 175.30 1kqb s ASP 160 N -2.58 6.37 0.26 2.29 1.01 0.13 -3.92 116.67 120.23 1kqb s ASP 160 Ca 0.34 0.34 -0.21 0.00 0.71 0.00 0.00 52.55 53.73 1kqb s ASP 160 Cb -0.13 -1.98 0.05 0.00 1.01 0.00 0.00 42.92 41.87 1kqb s ASP 160 CO 0.27 -0.04 0.84 0.00 0.21 0.00 0.00 175.17 176.46 1kqb s ALA 161 N -1.87 -1.25 -0.21 5.23 0.00 -1.26 -0.32 121.76 122.09 1kqb s ALA 161 Ca 0.37 -0.32 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 1kqb s ALA 161 Cb -0.11 0.74 0.08 0.00 0.00 0.00 0.00 23.12 23.83 1kqb s ALA 161 CO 0.29 -1.03 0.46 0.54 0.00 0.00 0.00 175.76 176.03 1kqb s VAL 162 N -3.10 -0.42 0.27 0.00 0.11 -1.02 -1.49 120.40 114.76 1kqb s VAL 162 Ca 0.14 0.11 -0.28 0.00 -2.93 0.00 0.00 61.98 59.02 1kqb s VAL 162 Cb -0.04 -0.71 -0.09 0.00 -1.53 0.00 0.00 36.38 34.00 1kqb s VAL 162 CO 0.07 0.05 0.92 -2.16 -3.33 0.00 0.00 175.10 170.65 1kqb s PRO 163 N 2.15 4.71 -0.07 1.54 0.04 -1.26 -3.22 135.00 138.88 1kqb s PRO 163 Ca -0.05 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1kqb s PRO 163 Cb -0.10 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.39 1kqb s PRO 163 CO -0.14 0.42 -0.06 0.42 0.04 0.00 0.00 177.00 177.68 1kqb s ILE 164 N -1.37 0.73 -0.28 0.56 1.01 0.59 -4.93 121.20 117.50 1kqb s ILE 164 Ca 0.45 -0.18 0.08 0.00 0.00 0.00 0.00 60.65 61.00 1kqb s ILE 164 Cb -0.22 -0.76 -0.10 0.00 0.01 0.00 0.00 42.46 41.39 1kqb s ILE 164 CO 0.28 0.29 0.30 -0.62 0.00 0.00 0.00 174.94 175.19 1kqb n GLU 165 N 4.42 3.28 -1.36 2.79 1.02 -1.26 -1.67 120.64 127.86 1kqb n GLU 165 Ca -0.18 -0.02 -0.38 0.00 -0.02 0.00 0.00 57.16 56.56 1kqb n GLU 165 Cb 0.51 -0.96 -0.02 0.00 -0.02 0.00 0.00 31.44 30.94 1kqb n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kqb n GLY 166 N 1.41 3.92 3.34 0.62 0.00 -1.26 -4.82 105.19 108.40 1kqb n GLY 166 Ca 0.01 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 1kqb n GLY 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kqb s PHE 167 N 3.12 -0.05 -0.50 1.61 -0.71 -1.26 -4.78 117.98 115.40 1kqb s PHE 167 Ca 0.55 -0.30 -0.20 0.00 -1.04 0.00 0.00 56.93 55.95 1kqb s PHE 167 Cb 0.15 0.19 0.05 0.00 -1.21 0.00 0.00 43.02 42.20 1kqb s PHE 167 CO -0.04 -0.72 0.68 0.34 -1.34 0.00 0.00 175.22 174.14 1kqb s ASP 168 N -2.85 6.26 0.36 1.98 -1.08 -0.14 -4.91 116.67 116.29 1kqb s ASP 168 Ca 0.06 -0.72 0.09 0.00 -0.52 0.00 0.00 52.55 51.46 1kqb s ASP 168 Cb 0.02 -2.32 0.69 0.00 -1.46 0.00 0.00 42.92 39.85 1kqb s ASP 168 CO -0.08 -0.93 1.84 0.00 0.52 0.00 0.00 175.17 176.52 1kqb h ALA 169 N 9.03 1.38 -0.26 3.66 0.00 -1.89 -1.84 119.26 129.35 1kqb h ALA 169 Ca -0.27 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1kqb h ALA 169 Cb 1.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1kqb h ALA 169 CO 0.97 0.44 0.14 0.00 0.00 0.00 0.00 179.25 180.80 1kqb h ALA 170 N 1.57 0.33 -0.30 0.00 0.00 -1.93 0.27 119.26 119.20 1kqb h ALA 170 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1kqb h ALA 170 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1kqb h ALA 170 CO 0.04 -0.14 0.10 0.82 0.00 0.00 0.00 179.25 180.07 1kqb h ILE 171 N 0.31 1.20 -0.58 0.00 2.04 -1.89 -1.82 117.51 116.76 1kqb h ILE 171 Ca 0.09 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 1kqb h ILE 171 Cb 0.06 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1kqb h ILE 171 CO -0.01 0.21 0.20 0.25 0.00 0.00 0.00 178.15 178.80 1kqb h LEU 172 N 0.33 0.82 -0.43 1.44 5.85 -1.14 0.03 115.31 122.22 1kqb h LEU 172 Ca 0.10 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1kqb h LEU 172 Cb 0.22 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1kqb h LEU 172 CO -0.00 0.80 0.28 0.44 -0.34 0.00 0.00 178.44 179.61 1kqb h ASP 173 N 0.81 0.48 -0.62 1.25 5.19 -0.35 -2.19 116.42 120.99 1kqb h ASP 173 Ca 0.19 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 1kqb h ASP 173 Cb 0.25 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.62 1kqb h ASP 173 CO -0.01 0.35 0.16 -0.33 -3.12 0.00 0.00 179.24 176.29 1kqb h GLU 174 N 0.57 0.99 -0.77 3.56 5.08 -1.09 0.49 114.58 123.41 1kqb h GLU 174 Ca 0.16 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1kqb h GLU 174 Cb -0.06 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 1kqb h GLU 174 CO -0.04 0.89 0.51 1.49 -1.00 0.00 0.00 179.01 180.86 1kqb h GLU 175 N 0.90 0.97 -0.39 2.33 4.57 -0.64 -2.79 114.58 119.53 1kqb h GLU 175 Ca 0.20 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1kqb h GLU 175 Cb 0.34 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1kqb h GLU 175 CO -0.00 0.64 0.00 1.19 -1.18 0.00 0.00 179.01 179.66 1kqb n PHE 176 N -4.43 0.81 -4.13 0.92 3.72 -0.86 -4.98 117.46 108.51 1kqb n PHE 176 Ca 0.09 -0.63 -0.34 0.00 -0.05 0.00 0.00 57.45 56.53 1kqb n PHE 176 Cb 0.07 -0.15 -0.02 0.00 -0.94 0.00 0.00 39.48 38.45 1kqb n PHE 176 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kqb n GLY 177 N 0.38 -0.43 0.27 1.37 0.00 0.04 -4.87 105.19 101.97 1kqb n GLY 177 Ca 0.17 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 1kqb n GLY 177 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kqb h LEU 178 N -1.66 0.95 -0.32 0.99 3.38 -1.50 -3.14 115.31 114.01 1kqb h LEU 178 Ca -0.59 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.09 1kqb h LEU 178 Cb 1.38 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 1kqb h LEU 178 CO 0.74 1.08 -0.10 0.50 0.09 0.00 0.00 178.44 180.75 1kqb h LYS 179 N 0.81 -0.03 0.00 1.13 3.11 -1.73 0.14 116.57 120.00 1kqb h LYS 179 Ca 0.13 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.95 1kqb h LYS 179 Cb 0.65 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.88 1kqb h LYS 179 CO 0.04 -0.02 -0.12 0.93 -2.81 0.00 0.00 179.45 177.47 1kqb h GLU 180 N -0.03 0.00 -0.00 1.90 3.07 -1.88 -1.32 114.58 116.32 1kqb h GLU 180 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1kqb h GLU 180 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1kqb h GLU 180 CO -0.35 0.12 -0.20 1.63 -1.40 0.00 0.00 179.01 178.82 1kqb n LYS 181 N -4.01 0.30 -0.79 2.33 5.02 -0.12 -4.93 118.16 115.96 1kqb n LYS 181 Ca -0.02 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1kqb n LYS 181 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1kqb n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kqb n GLY 182 N 1.41 1.03 3.24 0.72 0.00 -0.33 -5.05 105.19 106.21 1kqb n GLY 182 Ca 0.10 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1kqb n GLY 182 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kqb s PHE 183 N -2.00 1.21 -0.10 1.61 0.08 -0.27 -1.59 117.98 116.92 1kqb s PHE 183 Ca 0.00 -1.12 -0.09 0.00 0.12 0.00 0.00 56.93 55.84 1kqb s PHE 183 Cb 0.00 -0.69 0.03 0.00 -0.57 0.00 0.00 43.02 41.79 1kqb s PHE 183 CO 0.00 -0.32 0.27 -0.08 -0.10 0.00 0.00 175.22 174.99 1kqb s THR 184 N -3.78 -0.00 0.28 0.64 -1.32 -0.70 -2.90 115.64 107.87 1kqb s THR 184 Ca 0.28 0.01 -0.29 0.00 -1.21 0.00 0.00 61.69 60.48 1kqb s THR 184 Cb 0.07 -0.39 -0.09 0.00 -1.51 0.00 0.00 72.50 70.58 1kqb s THR 184 CO 0.06 0.00 1.01 -0.94 -2.21 0.00 0.00 174.62 172.54 1kqb s SER 185 N 0.24 7.37 0.00 8.08 1.04 -1.26 -1.50 113.70 127.67 1kqb s SER 185 Ca -0.01 2.05 0.00 0.00 0.48 0.00 0.00 55.95 58.48 1kqb s SER 185 Cb -0.03 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1kqb s SER 185 CO -0.00 -0.05 0.00 0.18 0.98 0.00 0.00 173.24 174.34 1kqb n LEU 186 N 1.07 0.89 -3.89 2.42 4.77 -0.05 -4.85 117.00 117.36 1kqb n LEU 186 Ca -0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1kqb n LEU 186 Cb 0.47 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1kqb n LEU 186 CO 0.50 0.09 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.59 1kqb s VAL 187 N -1.93 0.06 -0.14 4.08 1.01 -1.17 -4.80 120.40 117.52 1kqb s VAL 187 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1kqb s VAL 187 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.29 1kqb s VAL 187 CO 0.00 -0.02 -0.08 -0.69 0.00 0.00 0.00 175.10 174.31 1kqb s VAL 188 N -0.11 3.48 -0.37 2.92 1.01 -0.67 -0.19 120.40 126.46 1kqb s VAL 188 Ca -0.01 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1kqb s VAL 188 Cb -0.01 -2.49 0.11 0.00 0.00 0.00 0.00 36.38 34.00 1kqb s VAL 188 CO -0.00 0.52 0.14 -0.69 0.00 0.00 0.00 175.10 175.07 1kqb s VAL 189 N 0.27 1.52 0.28 2.92 1.01 0.15 -0.30 120.40 126.25 1kqb s VAL 189 Ca -0.06 -2.13 -0.29 0.00 0.00 0.00 0.00 61.98 59.49 1kqb s VAL 189 Cb -0.15 -2.11 -0.10 0.00 0.00 0.00 0.00 36.38 34.03 1kqb s VAL 189 CO 0.04 -0.73 1.18 -2.84 0.00 0.00 0.00 175.10 172.75 1kqb s PRO 190 N 0.91 4.54 -0.01 2.72 0.02 -1.20 -1.42 135.00 140.56 1kqb s PRO 190 Ca 0.13 1.94 0.04 0.00 0.02 0.00 0.00 61.00 63.13 1kqb s PRO 190 Cb -0.21 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 1kqb s PRO 190 CO -0.11 0.05 -0.12 0.08 -0.33 0.00 0.00 177.00 176.56 1kqb s VAL 191 N -1.02 0.99 0.00 3.83 1.01 0.20 -2.43 120.40 122.97 1kqb s VAL 191 Ca 0.47 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1kqb s VAL 191 Cb -0.34 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1kqb s VAL 191 CO 0.44 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1kqb n GLY 192 N 2.74 -0.66 2.96 4.51 0.00 0.57 -1.33 105.19 113.98 1kqb n GLY 192 Ca -0.14 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1kqb n GLY 192 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kqb s HIS 193 N -1.18 0.95 0.49 1.61 3.76 -1.26 0.17 115.29 119.83 1kqb s HIS 193 Ca 0.00 -0.28 -0.21 0.00 -0.15 0.00 0.00 55.06 54.42 1kqb s HIS 193 Cb 0.00 -0.75 -0.08 0.00 1.11 0.00 0.00 32.58 32.87 1kqb s HIS 193 CO 0.00 -0.18 1.07 -3.38 -0.85 0.00 0.00 174.74 171.40 1kqb s HIS 194 N 0.61 2.94 0.52 1.40 -3.43 -1.26 -0.85 115.29 115.22 1kqb s HIS 194 Ca -0.10 1.57 -0.02 0.00 -0.80 0.00 0.00 55.06 55.72 1kqb s HIS 194 Cb -0.13 -3.14 0.01 0.00 -1.43 0.00 0.00 32.58 27.89 1kqb s HIS 194 CO 0.01 -1.01 0.77 -1.54 -2.00 0.00 0.00 174.74 170.97 1kqb s SER 195 N -1.87 5.65 0.11 7.38 1.04 -0.28 -4.50 113.70 121.23 1kqb s SER 195 Ca 0.67 0.39 0.14 0.00 0.48 0.00 0.00 55.95 57.63 1kqb s SER 195 Cb -0.19 -1.49 0.63 0.00 0.10 0.00 0.00 66.02 65.07 1kqb s SER 195 CO 0.23 -0.90 1.43 0.55 0.98 0.00 0.00 173.24 175.53 1kqb n VAL 196 N -2.30 1.22 0.93 5.02 3.14 -1.26 -1.44 118.33 123.63 1kqb n VAL 196 Ca 0.03 0.38 0.08 0.00 -2.96 0.00 0.00 64.34 61.88 1kqb n VAL 196 Cb 0.58 -1.28 0.24 0.00 -1.06 0.00 0.00 33.84 32.33 1kqb n VAL 196 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1kqb n GLU 197 N -1.79 1.85 -2.57 1.45 -0.58 -1.26 -4.74 120.64 113.00 1kqb n GLU 197 Ca 0.02 -1.30 -0.41 0.00 -0.42 0.00 0.00 57.16 55.05 1kqb n GLU 197 Cb 0.12 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 1kqb n GLU 197 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1kqb s ASP 198 N -1.22 6.24 0.56 1.62 2.15 -0.52 -4.79 116.67 120.72 1kqb s ASP 198 Ca 0.28 -0.72 0.25 0.00 0.43 0.00 0.00 52.55 52.79 1kqb s ASP 198 Cb 0.15 -2.56 1.59 0.00 -0.30 0.00 0.00 42.92 41.81 1kqb s ASP 198 CO 0.21 -1.74 2.19 2.19 -0.17 0.00 0.00 175.17 177.85 1kqb h PHE 199 N 9.95 0.00 0.00 -5.34 -0.00 -1.89 -1.94 116.94 117.72 1kqb h PHE 199 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.81 1kqb h PHE 199 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.99 1kqb h PHE 199 CO 1.16 0.00 0.00 -1.71 -0.00 0.00 0.00 178.31 177.76 1kqb n ASN 200 N -4.11 0.11 0.24 -0.68 5.15 -1.26 -3.53 115.26 111.17 1kqb n ASN 200 Ca -0.02 0.51 0.11 0.00 -0.60 0.00 0.00 54.58 54.58 1kqb n ASN 200 Cb 0.14 -0.54 0.56 0.00 -0.53 0.00 0.00 39.78 39.41 1kqb n ASN 200 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kqb h ALA 201 N 2.91 1.12 -0.01 5.20 0.00 -1.66 -3.21 119.26 123.61 1kqb h ALA 201 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1kqb h ALA 201 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1kqb h ALA 201 CO 0.00 0.24 -0.03 0.25 0.00 0.00 0.00 179.25 179.70 1kqb n THR 202 N -3.49 0.00 -2.66 0.00 -2.24 -1.23 -5.01 114.28 99.65 1kqb n THR 202 Ca -0.01 -0.48 -0.38 0.00 -2.27 0.00 0.00 64.05 60.91 1kqb n THR 202 Cb 0.36 1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 69.64 1kqb n THR 202 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kqb s LEU 203 N -0.74 4.43 0.44 3.22 1.43 -1.21 -5.00 118.68 121.25 1kqb s LEU 203 Ca 0.06 2.00 -0.25 0.00 -1.03 0.00 0.00 54.13 54.91 1kqb s LEU 203 Cb 0.05 -3.86 -0.08 0.00 0.03 0.00 0.00 46.19 42.33 1kqb s LEU 203 CO 0.09 -0.10 1.36 -2.84 0.23 0.00 0.00 176.35 175.09 1kqb s PRO 204 N -1.78 3.79 0.31 1.29 0.02 -1.26 -4.96 135.00 132.40 1kqb s PRO 204 Ca 0.48 2.27 -0.28 0.00 0.02 0.00 0.00 61.00 63.49 1kqb s PRO 204 Cb -0.24 -2.67 -0.09 0.00 0.02 0.00 0.00 34.50 31.51 1kqb s PRO 204 CO 0.30 -0.68 1.06 0.15 -0.33 0.00 0.00 177.00 177.51 1kqb s LYS 205 N -2.39 4.53 -0.08 5.54 1.02 -1.26 -5.04 119.74 122.07 1kqb s LYS 205 Ca 0.60 1.67 0.03 0.00 0.02 0.00 0.00 55.97 58.29 1kqb s LYS 205 Cb -0.40 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1kqb s LYS 205 CO 0.52 0.15 -0.15 0.45 -0.92 0.00 0.00 175.35 175.39 1kqb s SER 206 N -1.12 2.16 0.01 2.83 0.15 -1.26 -5.12 113.70 111.34 1kqb s SER 206 Ca 0.48 -0.37 -0.09 0.00 0.70 0.00 0.00 55.95 56.66 1kqb s SER 206 Cb -0.28 -0.99 0.01 0.00 -1.71 0.00 0.00 66.02 63.04 1kqb s SER 206 CO 0.36 0.06 0.19 -0.13 1.20 0.00 0.00 173.24 174.92 1kqb s ARG 207 N 0.62 0.57 0.72 5.44 1.81 -1.26 -5.15 118.95 121.70 1kqb s ARG 207 Ca -0.15 -0.41 -0.14 0.00 -1.72 0.00 0.00 55.73 53.31 1kqb s ARG 207 Cb -0.16 0.24 0.03 0.00 -0.45 0.00 0.00 34.95 34.61 1kqb s ARG 207 CO 0.05 -0.15 1.16 -0.51 -0.68 0.00 0.00 175.30 175.17 1kqb s LEU 208 N -1.53 3.29 0.61 2.53 1.43 -1.26 -4.97 118.68 118.79 1kqb s LEU 208 Ca -0.12 2.19 -0.18 0.00 -1.03 0.00 0.00 54.13 54.99 1kqb s LEU 208 Cb -0.06 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.57 1kqb s LEU 208 CO 0.01 -2.09 1.19 -2.16 0.23 0.00 0.00 176.35 173.53 1kqb s PRO 209 N -4.07 2.88 0.42 1.29 0.04 -1.26 -4.86 135.00 129.43 1kqb s PRO 209 Ca 0.71 1.75 0.08 0.00 0.04 0.00 0.00 61.00 63.57 1kqb s PRO 209 Cb -0.25 -1.93 0.88 0.00 0.04 0.00 0.00 34.50 33.25 1kqb s PRO 209 CO 0.45 -1.26 2.06 -0.07 0.04 0.00 0.00 177.00 178.22 1kqb h LEU 210 N 0.67 0.45 -2.58 -3.56 3.38 -1.96 -1.09 115.31 110.62 1kqb h LEU 210 Ca -0.50 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1kqb h LEU 210 Cb 1.29 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1kqb h LEU 210 CO 0.54 0.32 0.00 0.77 0.09 0.00 0.00 178.44 180.17 1kqb h SER 211 N 0.53 0.00 0.06 -0.43 4.64 -1.92 0.14 113.55 116.57 1kqb h SER 211 Ca 0.15 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.14 1kqb h SER 211 Cb -0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1kqb h SER 211 CO -0.03 0.00 -1.88 0.41 -0.87 0.00 0.00 176.83 174.45 1kqb n THR 212 N -3.69 1.65 0.63 2.95 -1.04 -0.45 -4.56 114.28 109.78 1kqb n THR 212 Ca -0.03 -0.43 0.12 0.00 -2.04 0.00 0.00 64.05 61.67 1kqb n THR 212 Cb 0.08 -1.80 0.18 0.00 -1.82 0.00 0.00 70.33 66.96 1kqb n THR 212 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1kqb n ILE 213 N -3.81 0.29 -5.28 12.58 -5.35 -0.96 -4.90 119.36 111.92 1kqb n ILE 213 Ca -0.36 -0.23 -0.31 0.00 -0.27 0.00 0.00 62.75 61.58 1kqb n ILE 213 Cb 0.92 -0.06 -0.16 0.00 -1.74 0.00 0.00 39.64 38.59 1kqb n ILE 213 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1kqb s VAL 214 N -3.15 2.07 -0.15 7.28 1.01 0.45 -5.07 120.40 122.84 1kqb s VAL 214 Ca 0.07 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1kqb s VAL 214 Cb 0.14 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1kqb s VAL 214 CO 0.72 0.58 -0.21 -0.89 0.00 0.00 0.00 175.10 175.30 1kqb s THR 215 N -0.40 2.01 -0.14 3.92 2.01 -1.26 -4.69 115.64 117.09 1kqb s THR 215 Ca 0.04 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 1kqb s THR 215 Cb -0.12 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1kqb s THR 215 CO 0.01 0.54 0.10 -1.61 -0.69 0.00 0.00 174.62 172.97 1kqb s GLU 216 N 1.02 3.64 0.00 4.92 2.02 -1.26 -5.24 118.70 123.79 1kqb s GLU 216 Ca -0.02 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1kqb s GLU 216 Cb -0.14 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.90 1kqb s GLU 216 CO -0.06 0.57 0.04 0.00 0.02 0.00 0.00 175.26 175.83