#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqc h ILE 3 N 0.00 1.03 -0.15 5.18 6.09 -2.02 -2.82 117.51 124.82 1kqc h ILE 3 Ca 0.00 -1.85 -0.13 0.00 -1.37 0.00 0.00 64.86 61.51 1kqc h ILE 3 Cb 0.00 2.10 -0.01 0.00 0.47 0.00 0.00 36.82 39.38 1kqc h ILE 3 CO 0.00 0.47 -0.47 0.40 -3.07 0.00 0.00 178.15 175.48 1kqc h ILE 4 N 0.00 1.33 -0.58 2.19 1.08 -2.04 0.61 117.51 120.09 1kqc h ILE 4 Ca -0.00 -1.68 -0.03 0.00 -0.39 0.00 0.00 64.86 62.75 1kqc h ILE 4 Cb 1.06 1.73 -0.03 0.00 -3.07 0.00 0.00 36.82 36.52 1kqc h ILE 4 CO 0.06 0.51 0.23 0.28 -0.69 0.00 0.00 178.15 178.54 1kqc h SER 5 N 0.30 0.80 -0.63 1.72 0.02 -1.94 -0.74 113.55 113.08 1kqc h SER 5 Ca 0.02 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 1kqc h SER 5 Cb 0.95 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1kqc h SER 5 CO 0.08 0.75 0.29 0.58 -1.14 0.00 0.00 176.83 177.39 1kqc h VAL 6 N 0.79 1.22 -0.61 2.27 2.07 -1.21 -0.79 116.25 120.01 1kqc h VAL 6 Ca 0.19 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1kqc h VAL 6 Cb 0.20 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1kqc h VAL 6 CO -0.02 0.26 0.28 0.00 0.02 0.00 0.00 177.57 178.12 1kqc h ALA 7 N 1.13 1.36 0.00 1.67 0.00 -0.40 0.01 119.26 123.02 1kqc h ALA 7 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1kqc h ALA 7 Cb 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1kqc h ALA 7 CO -0.03 0.50 -0.22 1.28 0.00 0.00 0.00 179.25 180.78 1kqc n LEU 8 N -4.35 0.51 -0.04 0.00 4.77 -0.33 -4.17 117.00 113.38 1kqc n LEU 8 Ca 0.05 0.38 -0.02 0.00 -0.03 0.00 0.00 56.01 56.39 1kqc n LEU 8 Cb 0.14 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 1kqc n LEU 8 CO 0.38 -0.05 -0.83 1.17 -1.33 0.00 0.00 177.39 176.73 1kqc n LYS 9 N -1.89 1.51 -1.49 3.23 3.00 -0.34 -4.90 118.16 117.27 1kqc n LYS 9 Ca 0.05 -0.04 -0.34 0.00 -0.00 0.00 0.00 58.31 57.98 1kqc n LYS 9 Cb 0.39 -1.32 0.09 0.00 0.00 0.00 0.00 35.03 34.19 1kqc n LYS 9 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1kqc s ARG 10 N -2.49 2.24 0.18 1.64 1.70 -0.06 -5.03 118.95 117.14 1kqc s ARG 10 Ca -0.06 1.74 -0.17 0.00 -0.47 0.00 0.00 55.73 56.76 1kqc s ARG 10 Cb 0.05 -1.85 0.03 0.00 -0.57 0.00 0.00 34.95 32.61 1kqc s ARG 10 CO 0.52 -1.75 0.50 -3.38 -1.08 0.00 0.00 175.30 170.12 1kqc s HIS 11 N -1.99 -0.14 -0.51 5.89 -3.43 -1.26 -5.01 115.29 108.85 1kqc s HIS 11 Ca 0.74 -0.19 -0.28 0.00 -0.80 0.00 0.00 55.06 54.52 1kqc s HIS 11 Cb -0.29 0.37 0.02 0.00 -1.43 0.00 0.00 32.58 31.25 1kqc s HIS 11 CO 0.44 -0.88 1.33 -1.12 -2.00 0.00 0.00 174.74 172.52 1kqc s SER 12 N -2.86 6.32 0.06 7.38 0.01 -1.26 -4.49 113.70 118.86 1kqc s SER 12 Ca 0.08 0.45 -0.31 0.00 1.31 0.00 0.00 55.95 57.49 1kqc s SER 12 Cb -0.00 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.60 1kqc s SER 12 CO -0.05 -1.52 1.65 -0.89 0.41 0.00 0.00 173.24 172.85 1kqc s THR 13 N 5.44 3.08 -0.57 1.44 2.01 -0.60 -4.81 115.64 121.64 1kqc s THR 13 Ca 0.53 0.50 0.23 0.00 0.31 0.00 0.00 61.69 63.26 1kqc s THR 13 Cb -0.10 -3.32 -0.11 0.00 0.01 0.00 0.00 72.50 68.98 1kqc s THR 13 CO 0.29 -0.01 1.02 0.29 -0.69 0.00 0.00 174.62 175.52 1kqc n LYS 14 N 5.72 0.32 -3.69 4.92 4.76 -1.26 -4.65 118.16 124.28 1kqc n LYS 14 Ca 0.16 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.49 1kqc n LYS 14 Cb 0.41 -1.61 -0.09 0.00 -1.84 0.00 0.00 35.03 31.89 1kqc n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kqc s ALA 15 N -3.22 -1.29 0.10 7.82 0.00 -1.26 -4.80 121.76 119.11 1kqc s ALA 15 Ca 0.03 1.68 0.05 0.00 0.00 0.00 0.00 51.96 53.73 1kqc s ALA 15 Cb 0.14 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1kqc s ALA 15 CO 0.80 -0.28 -0.01 -0.06 0.00 0.00 0.00 175.76 176.21 1kqc s PHE 16 N 1.05 2.95 -0.53 0.00 0.40 -1.26 -1.35 117.98 119.25 1kqc s PHE 16 Ca -0.06 -0.05 -0.21 0.00 -0.60 0.00 0.00 56.93 56.00 1kqc s PHE 16 Cb -0.06 -1.51 0.05 0.00 0.51 0.00 0.00 43.02 42.02 1kqc s PHE 16 CO -0.10 0.48 0.75 0.34 0.70 0.00 0.00 175.22 177.39 1kqc s ASP 17 N -2.38 6.26 0.54 1.36 -1.08 0.05 -4.53 116.67 116.89 1kqc s ASP 17 Ca 0.25 -0.72 0.36 0.00 -0.52 0.00 0.00 52.55 51.93 1kqc s ASP 17 Cb -0.11 -2.34 1.94 0.00 -1.46 0.00 0.00 42.92 40.94 1kqc s ASP 17 CO 0.18 -1.02 2.11 0.00 0.52 0.00 0.00 175.17 176.95 1kqc h ALA 18 N 9.12 1.00 -0.00 3.66 0.00 -1.86 -2.01 119.26 129.16 1kqc h ALA 18 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1kqc h ALA 18 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1kqc h ALA 18 CO 1.01 0.00 -0.22 -1.13 0.00 0.00 0.00 179.25 178.91 1kqc n SER 19 N -2.79 0.61 -4.27 0.00 3.41 -1.26 -4.59 113.62 104.73 1kqc n SER 19 Ca -0.02 -0.52 -0.44 0.00 -0.26 0.00 0.00 58.87 57.64 1kqc n SER 19 Cb 0.07 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1kqc n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1kqc s LYS 20 N -2.63 3.59 0.52 4.33 1.02 -0.76 -5.05 119.74 120.76 1kqc s LYS 20 Ca 0.23 -2.80 -0.15 0.00 0.02 0.00 0.00 55.97 53.27 1kqc s LYS 20 Cb 0.19 -4.31 -0.07 0.00 -0.52 0.00 0.00 37.83 33.12 1kqc s LYS 20 CO 0.54 -1.26 0.97 0.15 -0.92 0.00 0.00 175.35 174.84 1kqc s LYS 21 N -0.48 3.88 0.61 1.68 -0.14 -1.26 -4.27 119.74 119.77 1kqc s LYS 21 Ca 0.23 0.88 -0.14 0.00 -1.36 0.00 0.00 55.97 55.58 1kqc s LYS 21 Cb -0.11 -2.15 -0.03 0.00 -1.68 0.00 0.00 37.83 33.86 1kqc s LYS 21 CO -0.08 -0.30 1.04 -0.51 -0.76 0.00 0.00 175.35 174.74 1kqc s LEU 22 N -4.23 3.37 0.64 3.17 1.43 -1.26 -5.04 118.68 116.75 1kqc s LEU 22 Ca 0.58 1.63 -0.09 0.00 -1.03 0.00 0.00 54.13 55.21 1kqc s LEU 22 Cb -0.10 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.62 1kqc s LEU 22 CO 0.35 -1.06 1.00 0.42 0.23 0.00 0.00 176.35 177.28 1kqc s THR 23 N -2.80 3.76 0.35 5.49 -4.23 -1.26 -4.88 115.64 112.06 1kqc s THR 23 Ca 0.59 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 61.45 1kqc s THR 23 Cb -0.13 -3.53 0.24 0.00 1.34 0.00 0.00 72.50 70.42 1kqc s THR 23 CO 0.44 -0.63 1.99 0.00 -0.54 0.00 0.00 174.62 175.88 1kqc h ALA 24 N -0.39 1.51 -0.22 3.99 0.00 -1.99 -0.66 119.26 121.49 1kqc h ALA 24 Ca -0.45 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1kqc h ALA 24 Cb 1.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1kqc h ALA 24 CO 0.62 0.42 -0.27 1.49 0.00 0.00 0.00 179.25 181.51 1kqc h GLU 25 N 0.81 0.43 -0.04 0.00 4.81 -2.00 -2.22 114.58 116.37 1kqc h GLU 25 Ca 0.21 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 1kqc h GLU 25 Cb -0.03 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1kqc h GLU 25 CO -0.04 0.67 -0.69 0.93 -0.73 0.00 0.00 179.01 179.15 1kqc h GLU 26 N 0.38 0.21 -0.54 1.92 5.08 -1.63 -1.83 114.58 118.17 1kqc h GLU 26 Ca 0.05 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1kqc h GLU 26 Cb 0.68 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1kqc h GLU 26 CO 0.05 0.82 -0.04 0.00 -1.00 0.00 0.00 179.01 178.84 1kqc h ALA 27 N 1.13 0.90 -0.15 3.43 0.00 -0.79 -1.25 119.26 122.54 1kqc h ALA 27 Ca -0.02 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1kqc h ALA 27 Cb 1.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1kqc h ALA 27 CO 0.11 0.64 -0.57 0.93 0.00 0.00 0.00 179.25 180.36 1kqc h GLU 28 N 0.88 0.46 -0.44 0.00 4.39 -1.31 -2.81 114.58 115.74 1kqc h GLU 28 Ca 0.15 -0.30 -0.14 0.00 0.34 0.00 0.00 59.36 59.41 1kqc h GLU 28 Cb 0.57 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1kqc h GLU 28 CO 0.03 0.90 -0.29 0.87 -1.16 0.00 0.00 179.01 179.37 1kqc h LYS 29 N 0.35 0.96 0.00 2.33 1.57 -1.00 -1.50 116.57 119.27 1kqc h LYS 29 Ca 0.00 -0.45 -0.08 0.00 -1.87 0.00 0.00 60.65 58.25 1kqc h LYS 29 Cb 1.10 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1kqc h LYS 29 CO 0.10 1.11 -0.39 -0.84 -0.57 0.00 0.00 179.45 178.86 1kqc h ILE 30 N 0.81 1.17 -0.13 1.86 3.07 -1.24 -1.65 117.51 121.40 1kqc h ILE 30 Ca 0.09 -1.39 -0.16 0.00 1.55 0.00 0.00 64.86 64.95 1kqc h ILE 30 Cb 0.87 1.77 -0.01 0.00 -0.27 0.00 0.00 36.82 39.19 1kqc h ILE 30 CO 0.08 0.38 -0.60 0.11 -1.05 0.00 0.00 178.15 177.08 1kqc h LYS 31 N 0.00 0.44 -0.61 0.16 1.57 -1.24 -2.63 116.57 114.25 1kqc h LYS 31 Ca -0.00 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.41 1kqc h LYS 31 Cb 0.74 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1kqc h LYS 31 CO 0.05 0.90 0.11 1.15 -0.57 0.00 0.00 179.45 181.10 1kqc h THR 32 N 0.33 1.25 -0.50 -0.16 2.02 -0.65 -1.39 112.91 113.80 1kqc h THR 32 Ca -0.00 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1kqc h THR 32 Cb 1.13 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1kqc h THR 32 CO 0.10 0.36 0.26 -0.07 0.37 0.00 0.00 175.52 176.54 1kqc h LEU 33 N 0.93 0.65 -0.24 2.58 3.38 -1.16 -0.46 115.31 120.99 1kqc h LEU 33 Ca 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1kqc h LEU 33 Cb 0.39 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1kqc h LEU 33 CO 0.01 0.58 0.12 -0.07 0.09 0.00 0.00 178.44 179.17 1kqc h LEU 34 N 0.67 0.30 -0.62 1.67 3.38 -1.17 -3.03 115.31 116.50 1kqc h LEU 34 Ca 0.18 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1kqc h LEU 34 Cb 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1kqc h LEU 34 CO -0.02 0.31 0.20 -0.61 0.09 0.00 0.00 178.44 178.41 1kqc h GLN 35 N 0.26 0.96 -0.43 1.13 4.15 -1.03 -3.24 115.11 116.90 1kqc h GLN 35 Ca 0.08 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1kqc h GLN 35 Cb 0.09 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1kqc h GLN 35 CO -0.01 0.84 0.00 0.66 -1.93 0.00 0.00 178.83 178.39 1kqc n TYR 36 N -4.39 0.59 -1.98 3.99 4.02 -0.20 -4.93 117.16 114.25 1kqc n TYR 36 Ca 0.04 -0.29 -0.38 0.00 -0.01 0.00 0.00 57.90 57.27 1kqc n TYR 36 Cb 0.21 -0.01 0.02 0.00 -0.02 0.00 0.00 39.34 39.54 1kqc n TYR 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1kqc s SER 37 N -0.98 5.56 0.86 7.72 0.15 -1.15 -5.00 113.70 120.86 1kqc s SER 37 Ca 0.28 2.55 -0.13 0.00 0.70 0.00 0.00 55.95 59.36 1kqc s SER 37 Cb 0.15 -2.62 0.12 0.00 -1.71 0.00 0.00 66.02 61.96 1kqc s SER 37 CO 0.19 -1.36 1.19 -2.16 1.20 0.00 0.00 173.24 172.30 1kqc s PRO 38 N -2.90 1.51 -0.10 5.44 0.04 -1.26 -5.00 135.00 132.73 1kqc s PRO 38 Ca 0.70 0.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.51 1kqc s PRO 38 Cb -0.35 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.40 1kqc s PRO 38 CO 0.41 -1.90 0.90 -1.54 0.04 0.00 0.00 177.00 174.91 1kqc s SER 39 N -4.49 -0.43 0.09 6.66 1.04 -1.26 -4.74 113.70 110.56 1kqc s SER 39 Ca 0.64 0.38 -0.34 0.00 0.48 0.00 0.00 55.95 57.11 1kqc s SER 39 Cb -0.11 0.37 -0.14 0.00 0.10 0.00 0.00 66.02 66.25 1kqc s SER 39 CO 0.51 -0.47 1.64 -0.24 0.98 0.00 0.00 173.24 175.66 1kqc n SER 40 N 0.55 3.07 -1.08 7.02 2.88 -1.26 -0.23 113.62 124.57 1kqc n SER 40 Ca -0.12 1.06 -0.13 0.00 -1.33 0.00 0.00 58.87 58.35 1kqc n SER 40 Cb 0.59 -1.39 -0.06 0.00 -0.75 0.00 0.00 64.21 62.60 1kqc n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1kqc n THR 41 N 3.79 0.00 -2.84 2.46 -2.24 -1.26 -1.16 114.28 113.03 1kqc n THR 41 Ca 0.19 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.75 1kqc n THR 41 Cb 0.28 -1.53 0.02 0.00 -2.10 0.00 0.00 70.33 67.00 1kqc n THR 41 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1kqc n ASN 42 N -0.99 -5.71 0.28 3.42 5.15 0.67 -4.87 115.26 113.22 1kqc n ASN 42 Ca -0.13 -0.19 0.14 0.00 -0.60 0.00 0.00 54.58 53.80 1kqc n ASN 42 Cb 0.57 -4.67 0.80 0.00 -0.53 0.00 0.00 39.78 35.95 1kqc n ASN 42 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1kqc h SER 43 N -0.88 0.00 -6.96 1.20 4.64 -1.29 -3.47 113.55 106.79 1kqc h SER 43 Ca -0.50 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.30 1kqc h SER 43 Cb 1.35 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.37 1kqc h SER 43 CO 0.56 0.07 -0.85 0.00 -0.87 0.00 0.00 176.83 175.74 1kqc n GLN 44 N -3.72 -0.51 -1.01 4.77 6.02 -1.26 -4.74 117.38 116.92 1kqc n GLN 44 Ca -0.02 -0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 1kqc n GLN 44 Cb 0.18 -2.28 -0.16 0.00 1.02 0.00 0.00 30.24 29.00 1kqc n GLN 44 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1kqc n PRO 45 N -4.35 2.00 -4.21 -1.09 -0.04 -1.26 -4.88 135.00 121.16 1kqc n PRO 45 Ca -0.15 -1.04 -0.12 0.00 -0.04 0.00 0.00 63.50 62.15 1kqc n PRO 45 Cb 0.51 -1.99 -0.10 0.00 -0.04 0.00 0.00 33.50 31.89 1kqc n PRO 45 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1kqc s TRP 46 N 0.86 1.17 -0.07 0.54 -2.14 -1.26 -1.42 118.94 116.62 1kqc s TRP 46 Ca 0.65 -1.29 -0.13 0.00 2.66 0.00 0.00 56.10 58.00 1kqc s TRP 46 Cb 0.32 -0.61 0.03 0.00 -3.10 0.00 0.00 33.47 30.10 1kqc s TRP 46 CO -0.01 -0.53 0.32 -1.58 -2.66 0.00 0.00 176.95 172.49 1kqc s HIS 47 N -4.03 -0.27 -0.04 1.66 2.46 -0.53 -4.89 115.29 109.64 1kqc s HIS 47 Ca 0.34 0.58 0.04 0.00 0.47 0.00 0.00 55.06 56.49 1kqc s HIS 47 Cb 0.07 0.11 -0.00 0.00 -0.13 0.00 0.00 32.58 32.63 1kqc s HIS 47 CO 0.09 -0.28 -0.16 -0.06 -2.47 0.00 0.00 174.74 171.87 1kqc s PHE 48 N -0.57 1.59 -0.23 3.88 0.08 -1.26 -0.83 117.98 120.63 1kqc s PHE 48 Ca -0.07 -0.46 -0.08 0.00 0.12 0.00 0.00 56.93 56.44 1kqc s PHE 48 Cb -0.04 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1kqc s PHE 48 CO 0.02 -0.17 0.09 0.42 -0.10 0.00 0.00 175.22 175.48 1kqc s ILE 49 N 0.12 4.65 -0.41 0.64 1.01 -0.84 -4.93 121.20 121.43 1kqc s ILE 49 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 1kqc s ILE 49 Cb -0.11 -3.15 0.11 0.00 0.01 0.00 0.00 42.46 39.32 1kqc s ILE 49 CO 0.02 0.37 0.19 -0.69 0.00 0.00 0.00 174.94 174.83 1kqc s VAL 50 N 1.19 3.09 -0.27 2.92 1.01 -1.26 -0.18 120.40 126.91 1kqc s VAL 50 Ca 0.05 -2.22 -0.18 0.00 0.00 0.00 0.00 61.98 59.63 1kqc s VAL 50 Cb -0.14 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1kqc s VAL 50 CO 0.04 -0.69 0.51 0.00 0.00 0.00 0.00 175.10 174.96 1kqc s ALA 51 N 0.96 3.58 0.00 5.51 0.00 -0.09 -4.90 121.76 126.83 1kqc s ALA 51 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1kqc s ALA 51 Cb -0.22 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1kqc s ALA 51 CO -0.05 -0.76 0.00 -1.13 0.00 0.00 0.00 175.76 173.82 1kqc n SER 52 N 5.54 3.34 -4.88 0.00 3.41 -1.26 -1.12 113.62 118.66 1kqc n SER 52 Ca -0.04 -0.09 -0.30 0.00 -0.26 0.00 0.00 58.87 58.18 1kqc n SER 52 Cb 0.50 0.85 -0.00 0.00 -0.26 0.00 0.00 64.21 65.29 1kqc n SER 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1kqc s THR 53 N -1.51 4.76 0.16 6.66 -4.23 -1.26 -4.89 115.64 115.32 1kqc s THR 53 Ca 0.00 0.68 -0.15 0.00 -1.18 0.00 0.00 61.69 61.04 1kqc s THR 53 Cb 0.00 -3.84 0.03 0.00 1.34 0.00 0.00 72.50 70.03 1kqc s THR 53 CO 0.00 -0.95 1.78 -0.33 -0.54 0.00 0.00 174.62 174.59 1kqc h GLU 54 N 0.14 0.62 -0.75 3.99 4.39 -1.96 -1.79 114.58 119.21 1kqc h GLU 54 Ca -0.45 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.14 1kqc h GLU 54 Cb 1.19 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 1kqc h GLU 54 CO 0.62 0.46 0.30 0.93 -1.16 0.00 0.00 179.01 180.16 1kqc h GLU 55 N 0.60 1.11 -0.17 2.33 5.08 -1.99 -0.76 114.58 120.78 1kqc h GLU 55 Ca 0.16 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1kqc h GLU 55 Cb 0.00 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1kqc h GLU 55 CO -0.03 0.90 0.09 0.78 -1.00 0.00 0.00 179.01 179.75 1kqc h GLY 56 N 1.12 0.26 1.53 -3.84 0.00 -1.86 -0.85 103.07 99.43 1kqc h GLY 56 Ca 0.25 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 1kqc h GLY 56 CO -0.02 0.11 -0.26 0.50 0.00 0.00 0.00 176.54 176.87 1kqc h LYS 57 N 0.17 0.55 -0.42 4.80 1.57 -1.17 -1.99 116.57 120.08 1kqc h LYS 57 Ca 0.06 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1kqc h LYS 57 Cb 0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1kqc h LYS 57 CO -0.01 0.76 0.01 0.00 -0.57 0.00 0.00 179.45 179.64 1kqc h ALA 58 N 1.24 1.24 -0.56 3.86 0.00 -0.90 0.21 119.26 124.35 1kqc h ALA 58 Ca 0.07 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1kqc h ALA 58 Cb 0.71 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1kqc h ALA 58 CO 0.05 0.51 -0.02 0.00 0.00 0.00 0.00 179.25 179.79 1kqc h ARG 59 N 0.63 1.00 -0.43 0.00 3.08 -0.66 -2.36 114.38 115.64 1kqc h ARG 59 Ca 0.13 -0.33 -0.14 0.00 0.07 0.00 0.00 59.98 59.70 1kqc h ARG 59 Cb 0.38 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1kqc h ARG 59 CO 0.01 1.01 -0.30 0.28 -1.07 0.00 0.00 179.97 179.90 1kqc h VAL 60 N 0.88 1.27 0.00 2.04 2.07 -0.85 -2.89 116.25 118.77 1kqc h VAL 60 Ca 0.15 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1kqc h VAL 60 Cb 0.57 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1kqc h VAL 60 CO 0.03 0.50 0.01 0.00 0.02 0.00 0.00 177.57 178.13 1kqc h ALA 61 N 0.81 1.01 0.00 1.67 0.00 -0.28 -0.79 119.26 121.68 1kqc h ALA 61 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1kqc h ALA 61 Cb 0.89 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1kqc h ALA 61 CO 0.08 -0.01 -0.04 0.87 0.00 0.00 0.00 179.25 180.15 1kqc h LYS 62 N 0.00 0.00 0.00 0.00 1.57 -1.21 -1.39 116.57 115.55 1kqc h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kqc h LYS 62 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1kqc h LYS 62 CO 0.00 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 179.58 1kqc h SER 63 N 0.00 0.00 -0.53 0.86 4.64 -1.33 -3.29 113.55 113.90 1kqc h SER 63 Ca -0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 1kqc h SER 63 Cb 0.11 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.09 1kqc h SER 63 CO 0.00 0.00 0.41 0.00 -0.87 0.00 0.00 176.83 176.37 1kqc n ALA 64 N -1.92 6.52 -2.06 5.18 0.00 -0.52 -0.98 120.51 126.73 1kqc n ALA 64 Ca 0.03 -2.61 -0.29 0.00 0.00 0.00 0.00 53.44 50.56 1kqc n ALA 64 Cb 0.36 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1kqc n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kqc s ALA 65 N -0.23 3.24 0.00 0.00 0.00 -1.24 -2.74 121.76 120.79 1kqc s ALA 65 Ca 0.63 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1kqc s ALA 65 Cb 0.33 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1kqc s ALA 65 CO -0.11 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1kqc n GLY 66 N -2.39 1.96 0.22 0.00 0.00 -1.26 -0.88 105.19 102.84 1kqc n GLY 66 Ca 0.03 0.50 -0.00 0.00 0.00 0.00 0.00 46.02 46.55 1kqc n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kqc h THR 67 N 0.00 0.67 0.00 2.61 2.02 -1.99 -2.04 112.91 114.18 1kqc h THR 67 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1kqc h THR 67 Cb 0.00 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1kqc h THR 67 CO 0.00 0.05 0.00 -1.22 0.37 0.00 0.00 175.52 174.72 1kqc n TYR 68 N -5.13 0.00 0.31 3.16 4.01 -0.06 -3.83 117.16 115.63 1kqc n TYR 68 Ca 0.08 0.00 0.21 0.00 -0.16 0.00 0.00 57.90 58.02 1kqc n TYR 68 Cb 0.29 -0.00 1.08 0.00 -0.31 0.00 0.00 39.34 40.40 1kqc n TYR 68 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1kqc h VAL 69 N 0.00 0.00 0.00 -0.72 3.04 -1.17 -0.84 116.25 116.57 1kqc h VAL 69 Ca 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1kqc h VAL 69 Cb 0.01 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1kqc h VAL 69 CO 0.00 0.00 0.00 2.22 -1.01 0.00 0.00 177.57 178.78 1kqc n PHE 70 N -2.96 0.00 0.48 3.17 1.16 -1.25 -1.75 117.46 116.31 1kqc n PHE 70 Ca -0.02 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.61 1kqc n PHE 70 Cb 0.09 -0.49 0.01 0.00 -1.61 0.00 0.00 39.48 37.48 1kqc n PHE 70 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1kqc n ASN 71 N -1.49 1.42 -0.03 5.98 3.02 -0.32 -4.71 115.26 119.13 1kqc n ASN 71 Ca 0.03 -1.21 -0.09 0.00 -0.03 0.00 0.00 54.58 53.27 1kqc n ASN 71 Cb 0.12 0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 1kqc n ASN 71 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1kqc h GLU 72 N 1.44 0.02 -0.70 3.52 4.81 -1.40 -2.77 114.58 119.50 1kqc h GLU 72 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1kqc h GLU 72 Cb 0.39 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1kqc h GLU 72 CO 0.00 0.01 0.43 0.00 -0.73 0.00 0.00 179.01 178.72 1kqc h ARG 73 N 0.02 0.94 -0.86 1.92 3.08 -1.84 -2.17 114.38 115.47 1kqc h ARG 73 Ca 0.08 -0.08 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1kqc h ARG 73 Cb 0.11 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 29.90 1kqc h ARG 73 CO -0.16 0.66 0.52 0.87 -1.07 0.00 0.00 179.97 180.79 1kqc h LYS 74 N 0.96 0.89 -0.11 0.04 1.57 -1.80 0.64 116.57 118.76 1kqc h LYS 74 Ca 0.25 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 1kqc h LYS 74 Cb -0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1kqc h LYS 74 CO -0.05 0.59 -0.59 0.52 -0.57 0.00 0.00 179.45 179.35 1kqc h MET 75 N 0.92 0.37 0.18 3.15 2.86 -1.29 -2.86 114.93 118.27 1kqc h MET 75 Ca 0.39 -0.25 -0.31 0.00 -2.06 0.00 0.00 59.70 57.48 1kqc h MET 75 Cb 0.25 0.03 0.03 0.00 0.06 0.00 0.00 31.60 31.98 1kqc h MET 75 CO -0.20 0.85 -1.31 -0.07 1.06 0.00 0.00 176.91 177.24 1kqc h LEU 76 N 0.28 0.84 0.00 1.22 3.38 -0.94 -3.38 115.31 116.71 1kqc h LEU 76 Ca -0.00 -0.87 -0.09 0.00 0.09 0.00 0.00 57.88 57.01 1kqc h LEU 76 Cb 1.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1kqc h LEU 76 CO 0.10 1.64 -0.61 0.44 0.09 0.00 0.00 178.44 180.10 1kqc h ASP 77 N 0.17 0.00 -4.18 -0.43 3.32 -0.97 -3.47 116.42 110.85 1kqc h ASP 77 Ca -0.21 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.32 1kqc h ASP 77 Cb 2.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 41.67 1kqc h ASP 77 CO 0.25 0.38 0.38 0.00 -1.72 0.00 0.00 179.24 178.54 1kqc s ALA 78 N -3.03 2.36 0.04 3.45 0.00 -1.08 -3.31 121.76 120.19 1kqc s ALA 78 Ca 0.03 0.69 -0.27 0.00 0.00 0.00 0.00 51.96 52.41 1kqc s ALA 78 Cb 0.07 -3.38 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 1kqc s ALA 78 CO 0.75 -1.45 1.43 1.03 0.00 0.00 0.00 175.76 177.51 1kqc h SER 79 N -0.00 -0.41 -4.30 0.00 0.87 -1.64 -3.45 113.55 104.63 1kqc h SER 79 Ca -0.47 -0.10 -0.53 0.00 -1.23 0.00 0.00 61.79 59.46 1kqc h SER 79 Cb 1.27 0.10 -0.26 0.00 -0.44 0.00 0.00 62.40 63.07 1kqc h SER 79 CO 0.53 -0.14 -0.82 -1.00 -0.53 0.00 0.00 176.83 174.86 1kqc s HIS 80 N -5.30 1.58 -0.14 2.24 3.76 -0.50 -4.52 115.29 112.41 1kqc s HIS 80 Ca -0.15 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 1kqc s HIS 80 Cb 0.03 -0.96 0.02 0.00 1.11 0.00 0.00 32.58 32.79 1kqc s HIS 80 CO 0.59 0.05 -0.11 0.08 -0.85 0.00 0.00 174.74 174.49 1kqc s VAL 81 N -0.72 1.36 -0.22 -0.90 1.01 -0.27 0.14 120.40 120.79 1kqc s VAL 81 Ca 0.06 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1kqc s VAL 81 Cb -0.08 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1kqc s VAL 81 CO 0.01 0.41 0.11 -0.69 0.00 0.00 0.00 175.10 174.94 1kqc s VAL 82 N 1.57 5.01 -0.36 2.92 1.01 -0.49 -0.91 120.40 129.16 1kqc s VAL 82 Ca 0.05 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 1kqc s VAL 82 Cb -0.13 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.96 1kqc s VAL 82 CO -0.10 0.39 0.18 -0.69 0.00 0.00 0.00 175.10 174.88 1kqc s VAL 83 N 0.88 4.50 -0.30 2.92 1.01 0.75 -0.09 120.40 130.08 1kqc s VAL 83 Ca 0.06 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 1kqc s VAL 83 Cb -0.13 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1kqc s VAL 83 CO 0.03 -0.16 0.98 -0.36 0.00 0.00 0.00 175.10 175.59 1kqc s PHE 84 N 1.55 3.20 0.09 5.22 0.40 0.16 -1.98 117.98 126.63 1kqc s PHE 84 Ca 0.02 1.14 0.09 0.00 -0.60 0.00 0.00 56.93 57.58 1kqc s PHE 84 Cb -0.19 -3.47 -0.04 0.00 0.51 0.00 0.00 43.02 39.84 1kqc s PHE 84 CO 0.06 -0.65 -0.22 0.00 0.70 0.00 0.00 175.22 175.11 1kqc s ALA 86 N -1.01 3.01 0.66 0.00 0.00 -0.69 -1.46 121.76 122.27 1kqc s ALA 86 Ca 0.15 -1.26 -0.17 0.00 0.00 0.00 0.00 51.96 50.68 1kqc s ALA 86 Cb -0.10 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 1kqc s ALA 86 CO 0.06 0.63 1.21 0.15 0.00 0.00 0.00 175.76 177.81 1kqc s LYS 87 N -2.32 2.59 0.08 0.00 1.02 -0.50 -1.72 119.74 118.90 1kqc s LYS 87 Ca 0.23 1.80 0.25 0.00 0.02 0.00 0.00 55.97 58.27 1kqc s LYS 87 Cb -0.11 -1.88 0.46 0.00 -0.52 0.00 0.00 37.83 35.78 1kqc s LYS 87 CO 0.15 -1.50 1.40 0.25 -0.92 0.00 0.00 175.35 174.73 1kqc n THR 88 N -2.11 0.24 -3.63 2.17 -2.24 -0.78 -4.80 114.28 103.13 1kqc n THR 88 Ca 0.14 -0.18 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 1kqc n THR 88 Cb 0.50 -0.06 -0.07 0.00 -2.10 0.00 0.00 70.33 68.60 1kqc n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kqc s ALA 89 N -3.11 -1.87 -0.58 6.98 0.00 -1.26 -4.72 121.76 117.20 1kqc s ALA 89 Ca 0.08 2.05 -0.23 0.00 0.00 0.00 0.00 51.96 53.87 1kqc s ALA 89 Cb 0.15 -1.31 0.05 0.00 0.00 0.00 0.00 23.12 22.01 1kqc s ALA 89 CO 0.70 -0.32 0.90 1.41 0.00 0.00 0.00 175.76 178.45 1kqc s MET 90 N 0.56 3.23 0.27 0.00 1.75 -1.26 -5.03 119.30 118.82 1kqc s MET 90 Ca -0.01 -0.54 -0.05 0.00 -1.25 0.00 0.00 55.69 53.84 1kqc s MET 90 Cb -0.05 -4.12 -0.05 0.00 2.84 0.00 0.00 34.83 33.45 1kqc s MET 90 CO -0.04 -1.55 0.53 0.16 -0.65 0.00 0.00 175.02 173.46 1kqc s ASP 91 N 3.09 6.45 0.32 1.11 -4.77 -1.26 -5.00 116.67 116.62 1kqc s ASP 91 Ca 0.25 0.69 -0.00 0.00 -3.30 0.00 0.00 52.55 50.19 1kqc s ASP 91 Cb -0.15 -2.13 0.52 0.00 -1.09 0.00 0.00 42.92 40.07 1kqc s ASP 91 CO 0.15 -0.16 1.98 0.44 0.70 0.00 0.00 175.17 178.29 1kqc h ASP 92 N 1.84 0.86 -0.99 2.11 3.32 -1.99 -2.39 116.42 119.18 1kqc h ASP 92 Ca -0.48 -0.02 0.14 0.00 0.02 0.00 0.00 57.03 56.69 1kqc h ASP 92 Cb 1.19 -0.21 -0.09 0.00 0.22 0.00 0.00 39.33 40.44 1kqc h ASP 92 CO 0.67 0.62 0.62 0.00 -1.72 0.00 0.00 179.24 179.43 1kqc h ALA 93 N 1.53 1.60 -0.18 3.45 0.00 -1.99 0.13 119.26 123.81 1kqc h ALA 93 Ca 0.28 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1kqc h ALA 93 Cb -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1kqc h ALA 93 CO -0.06 0.12 -0.35 2.35 0.00 0.00 0.00 179.25 181.31 1kqc h TRP 94 N 0.90 0.69 -0.51 0.00 2.91 -1.84 -1.96 115.95 116.15 1kqc h TRP 94 Ca 0.51 -0.25 0.00 0.00 1.13 0.00 0.00 58.89 60.28 1kqc h TRP 94 Cb 0.61 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.10 1kqc h TRP 94 CO -0.00 0.99 0.33 -0.07 -1.03 0.00 0.00 178.44 178.66 1kqc h LEU 95 N 0.20 0.58 -0.42 0.65 3.38 -1.14 -1.01 115.31 117.55 1kqc h LEU 95 Ca 0.01 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1kqc h LEU 95 Cb 0.95 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1kqc h LEU 95 CO 0.08 0.42 -0.03 -0.08 0.09 0.00 0.00 178.44 178.93 1kqc h GLU 96 N 0.69 0.76 -0.52 1.13 4.57 -0.66 -2.79 114.58 117.76 1kqc h GLU 96 Ca 0.18 -0.26 0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1kqc h GLU 96 Cb -0.07 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 1kqc h GLU 96 CO -0.04 0.85 0.28 0.00 -1.18 0.00 0.00 179.01 178.92 1kqc h ARG 97 N 0.59 0.53 0.09 1.92 2.47 -0.43 -1.18 114.38 118.37 1kqc h ARG 97 Ca 0.12 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1kqc h ARG 97 Cb 0.52 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 1kqc h ARG 97 CO 0.03 0.35 -0.11 0.28 0.56 0.00 0.00 179.97 181.08 1kqc h VAL 98 N 0.54 0.75 -0.40 2.04 2.07 -1.13 -0.68 116.25 119.44 1kqc h VAL 98 Ca 0.22 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.66 1kqc h VAL 98 Cb 0.10 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1kqc h VAL 98 CO -0.14 0.00 -0.10 1.62 0.02 0.00 0.00 177.57 178.97 1kqc h VAL 99 N -0.23 1.25 -0.02 2.57 3.04 -1.34 -1.27 116.25 120.26 1kqc h VAL 99 Ca 0.01 -1.11 -0.10 0.00 -1.01 0.00 0.00 66.70 64.49 1kqc h VAL 99 Cb 0.23 1.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 1kqc h VAL 99 CO -0.04 0.38 -0.46 0.44 -1.01 0.00 0.00 177.57 176.87 1kqc h ASP 100 N 0.63 0.04 -0.23 3.17 3.32 -1.01 -1.67 116.42 120.67 1kqc h ASP 100 Ca 0.11 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 1kqc h ASP 100 Cb 0.55 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1kqc h ASP 100 CO 0.03 0.50 -0.48 -0.61 -1.72 0.00 0.00 179.24 176.96 1kqc h GLN 101 N 0.03 0.73 -0.38 3.56 5.75 -0.70 -1.86 115.11 122.23 1kqc h GLN 101 Ca -0.00 -0.48 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 1kqc h GLN 101 Cb 0.83 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.43 1kqc h GLN 101 CO 0.06 1.10 0.18 0.93 -2.65 0.00 0.00 178.83 178.45 1kqc h GLU 102 N 0.45 0.53 -0.17 1.69 5.08 -0.94 -0.54 114.58 120.68 1kqc h GLU 102 Ca 0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1kqc h GLU 102 Cb 1.09 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1kqc h GLU 102 CO 0.11 0.42 -0.11 1.49 -1.00 0.00 0.00 179.01 179.92 1kqc h GLU 103 N 0.54 0.37 0.00 2.33 4.81 -1.14 -1.84 114.58 119.65 1kqc h GLU 103 Ca 0.14 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1kqc h GLU 103 Cb 0.07 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1kqc h GLU 103 CO -0.02 0.71 -0.09 0.00 -0.73 0.00 0.00 179.01 178.88 1kqc h ALA 104 N 0.66 1.81 -0.06 2.92 0.00 -0.83 -1.10 119.26 122.65 1kqc h ALA 104 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1kqc h ALA 104 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1kqc h ALA 104 CO 0.03 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.14 1kqc n ASP 105 N -4.37 0.84 -0.86 0.00 8.00 -0.26 -4.94 116.55 114.96 1kqc n ASP 105 Ca -0.03 -1.49 -0.05 0.00 0.71 0.00 0.00 54.79 53.93 1kqc n ASP 105 Cb 0.17 -0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1kqc n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kqc n GLY 106 N 1.00 0.32 0.09 0.44 0.00 -0.42 -4.96 105.19 101.66 1kqc n GLY 106 Ca 0.17 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.73 1kqc n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kqc n ARG 107 N -1.55 0.32 -4.73 1.61 1.74 -0.71 -4.84 116.66 108.50 1kqc n ARG 107 Ca -0.04 -0.18 -0.33 0.00 -0.77 0.00 0.00 57.85 56.53 1kqc n ARG 107 Cb 0.53 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.32 1kqc n ARG 107 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1kqc s PHE 108 N -2.81 2.71 0.07 -1.55 0.08 -1.26 -5.00 117.98 110.22 1kqc s PHE 108 Ca 0.16 -1.11 0.09 0.00 0.12 0.00 0.00 56.93 56.19 1kqc s PHE 108 Cb 0.18 -1.83 -0.20 0.00 -0.57 0.00 0.00 43.02 40.61 1kqc s PHE 108 CO 0.63 -0.49 1.16 -0.91 -0.10 0.00 0.00 175.22 175.51 1kqc h ASN 109 N 7.15 0.00 -4.84 1.36 4.21 -1.97 -3.48 115.58 118.01 1kqc h ASN 109 Ca -0.29 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 56.96 1kqc h ASN 109 Cb 1.20 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 38.25 1kqc h ASN 109 CO 0.54 0.97 -0.65 0.42 -1.29 0.00 0.00 177.43 177.42 1kqc s THR 110 N -2.70 0.45 0.29 2.81 -4.23 -1.26 -5.04 115.64 105.96 1kqc s THR 110 Ca -0.00 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1kqc s THR 110 Cb 0.09 -2.18 0.10 0.00 1.34 0.00 0.00 72.50 71.85 1kqc s THR 110 CO 0.82 -0.39 1.76 -0.65 -0.54 0.00 0.00 174.62 175.62 1kqc h PRO 111 N 2.71 0.55 -0.85 3.99 0.11 -2.00 -2.63 132.00 133.87 1kqc h PRO 111 Ca -0.36 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 1kqc h PRO 111 Cb 1.21 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1kqc h PRO 111 CO 0.61 0.68 0.49 0.93 -0.21 0.00 0.00 178.00 180.50 1kqc h GLU 112 N 0.50 1.17 -0.85 1.05 3.07 -1.98 -0.11 114.58 117.44 1kqc h GLU 112 Ca 0.09 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1kqc h GLU 112 Cb 0.55 -0.24 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 1kqc h GLU 112 CO 0.03 0.84 0.51 0.00 -1.40 0.00 0.00 179.01 178.99 1kqc h ALA 113 N 1.36 1.08 -0.26 3.43 0.00 -1.88 0.14 119.26 123.13 1kqc h ALA 113 Ca 0.30 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1kqc h ALA 113 Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1kqc h ALA 113 CO -0.05 0.54 -0.02 -0.22 0.00 0.00 0.00 179.25 179.50 1kqc h LYS 114 N 1.16 0.46 -0.77 0.00 3.64 -1.17 -1.70 116.57 118.20 1kqc h LYS 114 Ca 0.30 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1kqc h LYS 114 Cb -0.05 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1kqc h LYS 114 CO -0.06 0.65 0.44 0.00 -2.27 0.00 0.00 179.45 178.21 1kqc h ALA 115 N 0.80 1.32 -0.58 5.00 0.00 -0.61 -0.17 119.26 125.02 1kqc h ALA 115 Ca 0.07 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1kqc h ALA 115 Cb 0.45 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1kqc h ALA 115 CO 0.02 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 1kqc h ALA 116 N 1.41 0.78 -0.60 0.00 0.00 -0.59 -0.68 119.26 119.58 1kqc h ALA 116 Ca 0.28 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1kqc h ALA 116 Cb -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1kqc h ALA 116 CO -0.05 0.65 -0.01 -0.97 0.00 0.00 0.00 179.25 178.87 1kqc h ASN 117 N 0.94 1.06 -0.16 0.00 -0.73 -0.71 -1.25 115.58 114.72 1kqc h ASN 117 Ca 0.16 -0.31 -0.02 0.00 1.87 0.00 0.00 56.30 58.00 1kqc h ASN 117 Cb 0.60 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 1kqc h ASN 117 CO 0.04 1.11 0.03 -0.74 -0.37 0.00 0.00 177.43 177.50 1kqc h HIS 118 N 0.97 0.28 -0.70 0.67 2.76 -0.83 -1.82 115.15 116.49 1kqc h HIS 118 Ca 0.17 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1kqc h HIS 118 Cb 0.58 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 1kqc h HIS 118 CO 0.04 0.42 0.41 -0.22 -1.30 0.00 0.00 177.93 177.28 1kqc h LYS 119 N 0.06 0.95 -0.31 5.26 3.64 -1.02 -0.95 116.57 124.20 1kqc h LYS 119 Ca 0.05 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1kqc h LYS 119 Cb 0.28 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1kqc h LYS 119 CO 0.00 0.68 0.18 0.78 -2.27 0.00 0.00 179.45 178.83 1kqc h GLY 120 N 0.95 0.46 1.01 5.01 0.00 -1.13 -1.10 103.07 108.28 1kqc h GLY 120 Ca 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1kqc h GLY 120 CO -0.05 0.19 0.43 -0.09 0.00 0.00 0.00 176.54 177.02 1kqc h ARG 121 N 0.40 1.07 -0.58 4.80 2.43 -1.03 -2.17 114.38 119.29 1kqc h ARG 121 Ca 0.11 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1kqc h ARG 121 Cb 0.03 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 1kqc h ARG 121 CO -0.02 0.79 0.23 1.15 -1.51 0.00 0.00 179.97 180.60 1kqc h THR 122 N 1.06 1.21 -0.40 0.20 2.02 -0.89 -0.26 112.91 115.85 1kqc h THR 122 Ca 0.27 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1kqc h THR 122 Cb 0.02 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1kqc h THR 122 CO -0.04 0.27 0.21 0.22 0.37 0.00 0.00 175.52 176.54 1kqc h TYR 123 N 0.84 0.56 -0.07 3.16 5.03 -0.59 -0.18 116.97 125.72 1kqc h TYR 123 Ca 0.20 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 1kqc h TYR 123 Cb 0.18 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 1kqc h TYR 123 CO 0.01 0.44 -0.04 0.74 -1.32 0.00 0.00 178.16 178.00 1kqc h PHE 124 N 0.52 0.17 0.06 -3.82 0.04 -1.13 -2.32 116.94 110.46 1kqc h PHE 124 Ca 0.14 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.89 1kqc h PHE 124 Cb 0.07 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.14 1kqc h PHE 124 CO -0.02 0.53 -0.38 0.00 -0.60 0.00 0.00 178.31 177.84 1kqc h ALA 125 N 0.61 -0.62 -0.86 2.45 0.00 -0.96 -1.31 119.26 118.57 1kqc h ALA 125 Ca 0.01 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.04 1kqc h ALA 125 Cb 0.49 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1kqc h ALA 125 CO 0.01 -0.92 0.56 -0.44 0.00 0.00 0.00 179.25 178.47 1kqc h ASP 126 N -0.57 0.50 0.00 0.00 3.32 -1.06 0.38 116.42 118.99 1kqc h ASP 126 Ca 0.04 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1kqc h ASP 126 Cb 0.63 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1kqc h ASP 126 CO -0.26 0.24 0.01 -0.03 -1.72 0.00 0.00 179.24 177.48 1kqc h MET 127 N 0.52 0.00 0.00 3.56 4.05 -0.65 -1.70 114.93 120.71 1kqc h MET 127 Ca 0.44 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.86 1kqc h MET 127 Cb 0.91 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.71 1kqc h MET 127 CO -0.18 0.00 -0.12 0.72 0.23 0.00 0.00 176.91 177.56 1kqc n HIS 128 N -2.35 0.00 0.00 1.39 8.25 0.11 -4.01 115.22 118.62 1kqc n HIS 128 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1kqc n HIS 128 Cb 0.04 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1kqc n HIS 128 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1kqc n ARG 129 N -1.06 0.00 -0.13 -0.41 1.74 -0.13 0.45 116.66 117.12 1kqc n ARG 129 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 1kqc n ARG 129 Cb 0.00 -0.13 0.02 0.00 -1.02 0.00 0.00 32.46 31.33 1kqc n ARG 129 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1kqc h VAL 130 N 0.00 0.99 0.00 1.55 2.07 -1.77 -3.18 116.25 115.92 1kqc h VAL 130 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1kqc h VAL 130 Cb 0.00 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1kqc h VAL 130 CO 0.00 0.08 0.00 0.47 0.02 0.00 0.00 177.57 178.14 1kqc n ASP 131 N -4.91 0.00 0.30 0.57 8.00 -1.09 -4.47 116.55 114.95 1kqc n ASP 131 Ca 0.02 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.60 1kqc n ASP 131 Cb 0.09 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.55 1kqc n ASP 131 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1kqc h LEU 132 N 0.00 0.00 0.12 0.64 3.38 -1.81 -3.44 115.31 114.20 1kqc h LEU 132 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1kqc h LEU 132 Cb 0.00 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.82 1kqc h LEU 132 CO 0.00 0.00 -0.50 0.29 0.09 0.00 0.00 178.44 178.32 1kqc n LYS 133 N -2.72 -4.70 -0.61 1.13 4.76 -1.17 -4.90 118.16 109.94 1kqc n LYS 133 Ca 0.01 0.69 0.02 0.00 -2.87 0.00 0.00 58.31 56.16 1kqc n LYS 133 Cb 0.77 -5.16 0.20 0.00 -1.84 0.00 0.00 35.03 29.00 1kqc n LYS 133 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1kqc n ASP 134 N -1.74 2.25 0.20 4.39 5.75 -0.08 -4.64 116.55 122.68 1kqc n ASP 134 Ca -0.06 -3.70 0.04 0.00 -0.01 0.00 0.00 54.79 51.07 1kqc n ASP 134 Cb 0.58 -0.56 0.41 0.00 -1.03 0.00 0.00 41.12 40.51 1kqc n ASP 134 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1kqc h ASP 135 N 0.94 0.00 -0.42 -1.12 2.03 -0.33 0.27 116.42 117.79 1kqc h ASP 135 Ca 0.09 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.38 1kqc h ASP 135 Cb 1.30 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.78 1kqc h ASP 135 CO 0.18 0.33 0.23 -2.24 -1.03 0.00 0.00 179.24 176.71 1kqc h ASP 136 N 0.00 0.52 -0.18 4.15 -0.00 -1.83 0.12 116.42 119.19 1kqc h ASP 136 Ca -0.00 -0.08 -0.17 0.00 -0.00 0.00 0.00 57.03 56.77 1kqc h ASP 136 Cb 0.60 -0.13 0.01 0.00 -0.00 0.00 0.00 39.33 39.81 1kqc h ASP 136 CO 0.04 0.45 -0.57 1.56 -0.00 0.00 0.00 179.24 180.72 1kqc h GLN 137 N 0.54 0.71 -0.52 4.15 1.08 -1.74 -0.74 115.11 118.59 1kqc h GLN 137 Ca 0.15 -0.52 0.02 0.00 -1.45 0.00 0.00 58.65 56.85 1kqc h GLN 137 Cb 0.04 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1kqc h GLN 137 CO -0.02 1.14 0.32 2.35 -0.95 0.00 0.00 178.83 181.66 1kqc h TRP 138 N 0.41 0.60 -0.32 2.96 7.01 -0.33 0.04 115.95 126.32 1kqc h TRP 138 Ca -0.02 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 1kqc h TRP 138 Cb 1.19 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 28.05 1kqc h TRP 138 CO 0.09 0.34 -0.13 0.52 -2.79 0.00 0.00 178.44 176.47 1kqc h MET 139 N 0.63 0.66 -0.63 2.65 2.86 -0.73 -2.76 114.93 117.62 1kqc h MET 139 Ca 0.21 -0.28 0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1kqc h MET 139 Cb 0.01 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 1kqc h MET 139 CO -0.09 0.86 0.42 0.00 1.06 0.00 0.00 176.91 179.17 1kqc h ALA 140 N 0.78 1.79 -0.36 6.32 0.00 -0.74 -0.61 119.26 126.43 1kqc h ALA 140 Ca 0.08 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1kqc h ALA 140 Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1kqc h ALA 140 CO 0.04 0.11 -0.09 0.87 0.00 0.00 0.00 179.25 180.18 1kqc h LYS 141 N 0.63 0.62 -0.17 0.00 1.57 -0.71 -1.39 116.57 117.11 1kqc h LYS 141 Ca 0.27 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 1kqc h LYS 141 Cb 0.28 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1kqc h LYS 141 CO -0.08 0.70 -0.38 1.96 -0.57 0.00 0.00 179.45 181.08 1kqc h GLN 142 N 0.57 0.38 -0.51 3.15 1.08 -0.91 -2.02 115.11 116.85 1kqc h GLN 142 Ca 0.11 -0.18 -0.11 0.00 -1.45 0.00 0.00 58.65 57.02 1kqc h GLN 142 Cb 0.50 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1kqc h GLN 142 CO 0.03 0.71 -0.12 0.28 -0.95 0.00 0.00 178.83 178.78 1kqc h VAL 143 N 0.32 1.27 -0.54 -0.54 2.07 -0.79 -1.76 116.25 116.28 1kqc h VAL 143 Ca 0.03 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 1kqc h VAL 143 Cb 0.82 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1kqc h VAL 143 CO 0.07 0.44 0.10 1.88 0.02 0.00 0.00 177.57 180.08 1kqc h TYR 144 N 0.85 0.88 -0.78 1.57 -1.99 -1.01 -0.60 116.97 115.88 1kqc h TYR 144 Ca 0.13 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1kqc h TYR 144 Cb 0.68 -0.25 -0.04 0.00 2.00 0.00 0.00 36.73 39.12 1kqc h TYR 144 CO 0.05 0.75 0.46 1.25 -0.00 0.00 0.00 178.16 180.67 1kqc h LEU 145 N 0.81 0.95 -0.64 3.88 6.46 -1.09 -0.26 115.31 125.42 1kqc h LEU 145 Ca 0.17 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1kqc h LEU 145 Cb 0.34 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 1kqc h LEU 145 CO 0.00 0.74 0.42 -1.13 -0.62 0.00 0.00 178.44 177.85 1kqc h ASN 146 N 1.07 0.73 -0.56 1.25 -0.73 -0.49 -1.08 115.58 115.77 1kqc h ASN 146 Ca 0.28 -0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.47 1kqc h ASN 146 Cb -0.03 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.34 1kqc h ASN 146 CO -0.05 0.53 0.32 0.58 -0.37 0.00 0.00 177.43 178.43 1kqc h VAL 147 N 0.86 1.01 -0.62 2.57 2.07 0.05 0.11 116.25 122.30 1kqc h VAL 147 Ca 0.24 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1kqc h VAL 147 Cb -0.09 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1kqc h VAL 147 CO -0.06 0.11 0.37 1.23 0.02 0.00 0.00 177.57 179.25 1kqc h GLY 148 N 0.62 0.91 0.97 2.17 0.00 -0.38 0.27 103.07 107.62 1kqc h GLY 148 Ca 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1kqc h GLY 148 CO -0.13 0.37 0.20 -0.57 0.00 0.00 0.00 176.54 176.41 1kqc h ASN 149 N 0.85 0.45 -0.08 0.19 -1.24 -0.74 -2.96 115.58 112.05 1kqc h ASN 149 Ca 0.22 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1kqc h ASN 149 Cb -0.02 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 1kqc h ASN 149 CO -0.04 0.40 0.04 0.15 -1.29 0.00 0.00 177.43 176.70 1kqc h PHE 150 N 0.47 0.08 -0.80 0.67 3.57 -0.26 -0.68 116.94 119.99 1kqc h PHE 150 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1kqc h PHE 150 Cb 0.05 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1kqc h PHE 150 CO -0.03 0.05 0.50 -0.07 -2.23 0.00 0.00 178.31 176.54 1kqc h LEU 151 N 0.09 0.93 -0.20 0.59 3.38 -0.93 0.40 115.31 119.57 1kqc h LEU 151 Ca 0.03 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 1kqc h LEU 151 Cb -0.00 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.52 1kqc h LEU 151 CO -0.02 0.70 -0.83 0.25 0.09 0.00 0.00 178.44 178.63 1kqc h LEU 152 N 1.09 0.76 -0.09 1.67 5.85 -1.40 -2.57 115.31 120.62 1kqc h LEU 152 Ca 0.29 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1kqc h LEU 152 Cb -0.09 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.71 1kqc h LEU 152 CO -0.06 1.31 0.06 1.23 -0.34 0.00 0.00 178.44 180.64 1kqc h GLY 153 N 0.83 0.13 1.83 3.75 0.00 -0.40 -0.21 103.07 108.99 1kqc h GLY 153 Ca -0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 1kqc h GLY 153 CO 0.16 0.05 -0.37 -0.39 0.00 0.00 0.00 176.54 175.99 1kqc h VAL 154 N 0.10 1.29 -0.71 4.60 -1.51 -1.01 -2.24 116.25 116.76 1kqc h VAL 154 Ca 0.03 -1.39 -0.02 0.00 -1.23 0.00 0.00 66.70 64.10 1kqc h VAL 154 Cb 0.02 1.62 -0.03 0.00 -2.13 0.00 0.00 31.29 30.78 1kqc h VAL 154 CO -0.01 0.41 0.38 1.23 -1.23 0.00 0.00 177.57 178.35 1kqc h GLY 155 N 1.15 1.07 2.00 5.19 0.00 -1.03 -0.73 103.07 110.71 1kqc h GLY 155 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1kqc h GLY 155 CO 0.06 0.47 0.00 0.00 0.00 0.00 0.00 176.54 177.07 1kqc h ALA 156 N 1.19 1.00 -0.01 3.60 0.00 -0.49 -0.50 119.26 124.05 1kqc h ALA 156 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1kqc h ALA 156 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1kqc h ALA 156 CO -0.04 0.00 -0.11 -1.33 0.00 0.00 0.00 179.25 177.78 1kqc n MET 157 N -2.71 1.32 -1.02 0.00 2.81 -0.42 -4.92 117.12 112.18 1kqc n MET 157 Ca 0.00 -0.77 -0.01 0.00 -1.81 0.00 0.00 57.70 55.12 1kqc n MET 157 Cb 0.22 -1.48 -0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1kqc n MET 157 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kqc n GLY 158 N 1.24 0.45 3.94 3.03 0.00 -0.19 -5.04 105.19 108.62 1kqc n GLY 158 Ca 0.16 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 1kqc n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kqc s LEU 159 N -0.16 4.30 0.12 0.99 1.43 -0.42 -5.02 118.68 119.92 1kqc s LEU 159 Ca 0.00 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 1kqc s LEU 159 Cb 0.00 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 1kqc s LEU 159 CO 0.00 0.04 0.21 -1.81 0.23 0.00 0.00 176.35 175.02 1kqc s ASP 160 N -3.32 6.10 0.30 2.29 1.01 0.76 -4.03 116.67 119.77 1kqc s ASP 160 Ca 0.34 0.12 -0.20 0.00 0.71 0.00 0.00 52.55 53.53 1kqc s ASP 160 Cb -0.11 -1.79 0.03 0.00 1.01 0.00 0.00 42.92 42.06 1kqc s ASP 160 CO 0.28 0.10 0.72 0.00 0.21 0.00 0.00 175.17 176.49 1kqc s ALA 161 N -1.63 -1.09 -0.24 5.23 0.00 -1.26 -0.84 121.76 121.93 1kqc s ALA 161 Ca 0.33 -0.42 -0.09 0.00 0.00 0.00 0.00 51.96 51.79 1kqc s ALA 161 Cb -0.12 0.83 0.10 0.00 0.00 0.00 0.00 23.12 23.94 1kqc s ALA 161 CO 0.27 -1.02 0.53 0.54 0.00 0.00 0.00 175.76 176.07 1kqc s VAL 162 N -3.63 -0.72 0.23 0.00 0.11 -1.11 -1.55 120.40 113.73 1kqc s VAL 162 Ca 0.12 0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.96 1kqc s VAL 162 Cb -0.06 -0.82 -0.09 0.00 -1.53 0.00 0.00 36.38 33.89 1kqc s VAL 162 CO 0.08 0.04 1.04 -2.16 -3.33 0.00 0.00 175.10 170.77 1kqc s PRO 163 N 2.61 4.70 -0.09 1.54 0.04 -1.26 -3.37 135.00 139.16 1kqc s PRO 163 Ca -0.04 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1kqc s PRO 163 Cb -0.11 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.20 1kqc s PRO 163 CO -0.16 0.27 -0.08 0.42 0.04 0.00 0.00 177.00 177.49 1kqc s ILE 164 N -0.89 0.99 -0.40 0.56 1.01 0.75 -4.93 121.20 118.29 1kqc s ILE 164 Ca 0.45 -0.31 0.12 0.00 0.00 0.00 0.00 60.65 60.91 1kqc s ILE 164 Cb -0.29 -0.99 -0.15 0.00 0.01 0.00 0.00 42.46 41.04 1kqc s ILE 164 CO 0.36 0.35 0.44 -0.62 0.00 0.00 0.00 174.94 175.47 1kqc n GLU 165 N 4.60 2.20 -1.65 2.79 1.02 -1.26 -1.75 120.64 126.59 1kqc n GLU 165 Ca -0.16 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.53 1kqc n GLU 165 Cb 0.50 -1.14 -0.01 0.00 -0.02 0.00 0.00 31.44 30.78 1kqc n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kqc n GLY 166 N 1.44 4.32 3.35 0.62 0.00 -1.26 -4.83 105.19 108.83 1kqc n GLY 166 Ca 0.01 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 1kqc n GLY 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kqc s PHE 167 N 3.15 -0.31 -0.60 1.61 -0.71 -1.26 -4.76 117.98 115.10 1kqc s PHE 167 Ca 0.50 0.11 -0.21 0.00 -1.04 0.00 0.00 56.93 56.29 1kqc s PHE 167 Cb 0.14 0.32 0.07 0.00 -1.21 0.00 0.00 43.02 42.35 1kqc s PHE 167 CO -0.08 -0.70 0.84 0.34 -1.34 0.00 0.00 175.22 174.28 1kqc s ASP 168 N -2.54 6.21 0.45 1.98 -1.08 -0.15 -4.91 116.67 116.62 1kqc s ASP 168 Ca 0.00 -1.00 0.18 0.00 -0.52 0.00 0.00 52.55 51.21 1kqc s ASP 168 Cb 0.01 -2.37 1.05 0.00 -1.46 0.00 0.00 42.92 40.15 1kqc s ASP 168 CO -0.09 -1.23 1.96 0.00 0.52 0.00 0.00 175.17 176.33 1kqc h ALA 169 N 9.33 1.45 -0.30 3.66 0.00 -1.88 -1.49 119.26 130.02 1kqc h ALA 169 Ca -0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1kqc h ALA 169 Cb 1.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1kqc h ALA 169 CO 1.11 0.28 0.08 0.00 0.00 0.00 0.00 179.25 180.72 1kqc h ALA 170 N 1.78 0.40 -0.42 0.00 0.00 -1.93 0.30 119.26 119.39 1kqc h ALA 170 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1kqc h ALA 170 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1kqc h ALA 170 CO 0.03 0.05 0.11 0.82 0.00 0.00 0.00 179.25 180.26 1kqc h ILE 171 N 0.33 1.23 -0.67 0.00 2.04 -1.85 -2.16 117.51 116.43 1kqc h ILE 171 Ca 0.10 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1kqc h ILE 171 Cb 0.28 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1kqc h ILE 171 CO 0.00 0.27 0.20 0.25 0.00 0.00 0.00 178.15 178.87 1kqc h LEU 172 N 0.53 0.98 -0.49 1.44 5.85 -1.06 -1.25 115.31 121.31 1kqc h LEU 172 Ca 0.13 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1kqc h LEU 172 Cb 0.30 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1kqc h LEU 172 CO -0.00 0.93 0.25 0.44 -0.34 0.00 0.00 178.44 179.72 1kqc h ASP 173 N 0.97 0.63 -0.35 1.25 5.19 -0.27 -2.56 116.42 121.29 1kqc h ASP 173 Ca 0.21 -0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 56.40 1kqc h ASP 173 Cb 0.31 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 1kqc h ASP 173 CO -0.01 0.57 -0.18 -0.33 -3.12 0.00 0.00 179.24 176.18 1kqc h GLU 174 N 0.65 0.82 -0.22 3.56 5.08 -1.22 0.95 114.58 124.20 1kqc h GLU 174 Ca 0.17 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1kqc h GLU 174 Cb 0.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1kqc h GLU 174 CO -0.02 0.94 -0.02 1.49 -1.00 0.00 0.00 179.01 180.39 1kqc h GLU 175 N 0.73 0.33 -0.24 2.33 4.57 -1.03 -2.89 114.58 118.38 1kqc h GLU 175 Ca 0.11 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1kqc h GLU 175 Cb 0.70 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1kqc h GLU 175 CO 0.05 0.38 0.00 1.19 -1.18 0.00 0.00 179.01 179.45 1kqc n PHE 176 N -4.33 0.55 -4.29 0.92 3.72 -0.98 -4.99 117.46 108.05 1kqc n PHE 176 Ca 0.00 -0.70 -0.37 0.00 -0.05 0.00 0.00 57.45 56.33 1kqc n PHE 176 Cb 0.21 -0.16 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 1kqc n PHE 176 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kqc n GLY 177 N -0.21 -0.40 0.22 1.37 0.00 0.19 -4.85 105.19 101.52 1kqc n GLY 177 Ca 0.15 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.25 1kqc n GLY 177 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kqc h LEU 178 N -1.38 0.43 0.06 0.99 3.38 -1.43 -3.15 115.31 114.21 1kqc h LEU 178 Ca -0.60 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.23 1kqc h LEU 178 Cb 1.39 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 1kqc h LEU 178 CO 0.80 0.73 -0.47 0.11 0.09 0.00 0.00 178.44 179.70 1kqc h LYS 179 N 0.36 -0.64 0.00 1.13 1.79 -1.73 0.11 116.57 117.59 1kqc h LYS 179 Ca 0.05 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1kqc h LYS 179 Cb 0.74 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1kqc h LYS 179 CO 0.06 -0.42 -0.08 0.93 -1.08 0.00 0.00 179.45 178.86 1kqc h GLU 180 N -0.66 0.00 -0.00 3.15 3.07 -1.89 -0.29 114.58 117.96 1kqc h GLU 180 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1kqc h GLU 180 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1kqc h GLU 180 CO -0.30 0.08 -0.14 1.63 -1.40 0.00 0.00 179.01 178.88 1kqc n LYS 181 N -3.56 0.23 -1.66 2.33 5.02 -0.46 -4.93 118.16 115.13 1kqc n LYS 181 Ca -0.02 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1kqc n LYS 181 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1kqc n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kqc n GLY 182 N 1.42 0.73 3.15 0.72 0.00 -0.09 -5.04 105.19 106.07 1kqc n GLY 182 Ca 0.09 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 1kqc n GLY 182 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kqc s PHE 183 N -2.11 0.81 -0.09 1.61 0.08 0.20 -1.86 117.98 116.62 1kqc s PHE 183 Ca 0.00 -1.11 -0.06 0.00 0.12 0.00 0.00 56.93 55.88 1kqc s PHE 183 Cb 0.00 -0.49 0.03 0.00 -0.57 0.00 0.00 43.02 41.99 1kqc s PHE 183 CO 0.00 -0.38 0.22 -0.08 -0.10 0.00 0.00 175.22 174.88 1kqc s THR 184 N -3.89 -0.02 0.26 0.64 -1.32 -0.70 -3.20 115.64 107.42 1kqc s THR 184 Ca 0.17 0.08 -0.29 0.00 -1.21 0.00 0.00 61.69 60.43 1kqc s THR 184 Cb 0.07 -0.33 -0.09 0.00 -1.51 0.00 0.00 72.50 70.64 1kqc s THR 184 CO -0.03 0.03 1.16 -0.94 -2.21 0.00 0.00 174.62 172.64 1kqc s SER 185 N 0.68 7.13 -0.01 8.08 1.04 -1.26 -1.70 113.70 127.66 1kqc s SER 185 Ca -0.05 2.34 -0.00 0.00 0.48 0.00 0.00 55.95 58.72 1kqc s SER 185 Cb -0.06 -2.63 -0.00 0.00 0.10 0.00 0.00 66.02 63.43 1kqc s SER 185 CO -0.04 -0.28 -0.01 0.18 0.98 0.00 0.00 173.24 174.08 1kqc n LEU 186 N 1.46 0.53 -3.85 2.42 4.77 0.02 -4.84 117.00 117.52 1kqc n LEU 186 Ca 0.01 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 1kqc n LEU 186 Cb 0.44 -0.02 -0.15 0.00 -2.33 0.00 0.00 43.42 41.36 1kqc n LEU 186 CO 0.55 0.09 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.65 1kqc s VAL 187 N -2.01 0.12 -0.17 4.08 1.01 -1.16 -4.79 120.40 117.48 1kqc s VAL 187 Ca -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 1kqc s VAL 187 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 1kqc s VAL 187 CO 0.01 0.09 0.03 -0.69 0.00 0.00 0.00 175.10 174.54 1kqc s VAL 188 N 0.56 4.49 -0.36 2.92 1.01 -0.71 -0.66 120.40 127.65 1kqc s VAL 188 Ca -0.05 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1kqc s VAL 188 Cb -0.08 -3.01 0.11 0.00 0.00 0.00 0.00 36.38 33.40 1kqc s VAL 188 CO -0.01 0.47 0.13 -0.69 0.00 0.00 0.00 175.10 175.00 1kqc s VAL 189 N 0.35 1.44 0.32 2.92 1.01 0.87 -0.18 120.40 127.13 1kqc s VAL 189 Ca 0.01 -2.02 -0.28 0.00 0.00 0.00 0.00 61.98 59.69 1kqc s VAL 189 Cb -0.13 -2.06 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 1kqc s VAL 189 CO 0.01 -0.72 1.13 -2.84 0.00 0.00 0.00 175.10 172.68 1kqc s PRO 190 N 1.03 4.45 0.01 2.72 0.02 -1.22 -1.39 135.00 140.62 1kqc s PRO 190 Ca 0.12 1.82 0.04 0.00 0.02 0.00 0.00 61.00 63.01 1kqc s PRO 190 Cb -0.20 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 1kqc s PRO 190 CO -0.13 0.03 -0.12 0.08 -0.33 0.00 0.00 177.00 176.53 1kqc s VAL 191 N -1.26 0.94 0.00 3.83 1.01 0.36 -2.76 120.40 122.52 1kqc s VAL 191 Ca 0.49 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1kqc s VAL 191 Cb -0.31 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1kqc s VAL 191 CO 0.40 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1kqc n GLY 192 N 2.45 -0.54 2.93 4.51 0.00 -0.02 -1.41 105.19 113.12 1kqc n GLY 192 Ca -0.16 0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1kqc n GLY 192 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kqc s HIS 193 N -0.03 0.83 0.82 1.61 3.76 -1.26 -0.17 115.29 120.84 1kqc s HIS 193 Ca 0.00 -0.23 -0.11 0.00 -0.15 0.00 0.00 55.06 54.57 1kqc s HIS 193 Cb 0.00 -0.67 0.08 0.00 1.11 0.00 0.00 32.58 33.10 1kqc s HIS 193 CO 0.00 -0.16 1.10 -3.38 -0.85 0.00 0.00 174.74 171.45 1kqc s HIS 194 N 0.64 2.36 0.42 1.40 -0.00 -1.26 -0.77 115.29 118.07 1kqc s HIS 194 Ca -0.09 1.56 0.04 0.00 -0.00 0.00 0.00 55.06 56.56 1kqc s HIS 194 Cb -0.12 -3.11 0.04 0.00 -0.00 0.00 0.00 32.58 29.38 1kqc s HIS 194 CO 0.01 -2.07 0.31 -1.13 -0.00 0.00 0.00 174.74 171.86 1kqc n SER 195 N -3.71 2.32 0.00 7.38 3.41 -0.45 -4.22 113.62 118.35 1kqc n SER 195 Ca 0.09 -2.43 0.08 0.00 -0.26 0.00 0.00 58.87 56.35 1kqc n SER 195 Cb 0.53 -0.03 0.37 0.00 -0.26 0.00 0.00 64.21 64.82 1kqc n SER 195 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1kqc n VAL 196 N -1.48 0.78 1.29 -3.33 0.24 -1.26 -2.13 118.33 112.44 1kqc n VAL 196 Ca -0.01 0.20 0.13 0.00 -2.04 0.00 0.00 64.34 62.61 1kqc n VAL 196 Cb 0.47 -0.91 0.39 0.00 -1.47 0.00 0.00 33.84 32.33 1kqc n VAL 196 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1kqc n GLU 197 N -1.45 1.08 -2.54 7.34 4.07 -1.26 -4.69 120.64 123.18 1kqc n GLU 197 Ca 0.05 -0.65 -0.41 0.00 -0.06 0.00 0.00 57.16 56.09 1kqc n GLU 197 Cb 0.18 -1.49 -0.02 0.00 -0.06 0.00 0.00 31.44 30.05 1kqc n GLU 197 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1kqc s ASP 198 N -2.37 6.53 0.53 4.31 2.15 -0.91 -4.59 116.67 122.33 1kqc s ASP 198 Ca 0.27 -1.70 0.35 0.00 0.43 0.00 0.00 52.55 51.91 1kqc s ASP 198 Cb 0.20 -2.57 1.75 0.00 -0.30 0.00 0.00 42.92 41.99 1kqc s ASP 198 CO 0.47 -1.47 2.07 2.19 -0.17 0.00 0.00 175.17 178.26 1kqc h PHE 199 N 9.24 0.00 -0.00 -5.34 -0.00 -1.89 -2.29 116.94 116.67 1kqc h PHE 199 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.23 1kqc h PHE 199 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.92 1kqc h PHE 199 CO 1.32 0.00 -0.09 -1.71 -0.00 0.00 0.00 178.31 177.83 1kqc n ASN 200 N -2.85 0.36 0.22 -0.68 5.15 -1.26 -3.60 115.26 112.60 1kqc n ASN 200 Ca -0.01 -0.50 0.10 0.00 -0.60 0.00 0.00 54.58 53.57 1kqc n ASN 200 Cb 0.15 -0.11 0.36 0.00 -0.53 0.00 0.00 39.78 39.65 1kqc n ASN 200 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kqc h ALA 201 N 3.59 0.95 0.00 5.20 0.00 -1.74 -3.27 119.26 123.98 1kqc h ALA 201 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1kqc h ALA 201 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1kqc h ALA 201 CO 0.00 0.23 -1.02 0.25 0.00 0.00 0.00 179.25 178.71 1kqc n THR 202 N -3.23 0.00 -2.61 0.00 -2.24 -1.24 -4.99 114.28 99.97 1kqc n THR 202 Ca 0.01 -0.19 -0.37 0.00 -2.27 0.00 0.00 64.05 61.24 1kqc n THR 202 Cb 0.49 0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 1kqc n THR 202 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kqc s LEU 203 N -3.12 4.21 0.51 3.22 1.43 -1.24 -5.02 118.68 118.68 1kqc s LEU 203 Ca 0.03 1.99 -0.20 0.00 -1.03 0.00 0.00 54.13 54.92 1kqc s LEU 203 Cb 0.12 -4.11 -0.07 0.00 0.03 0.00 0.00 46.19 42.15 1kqc s LEU 203 CO 0.66 -0.35 1.09 -2.16 0.23 0.00 0.00 176.35 175.82 1kqc s PRO 204 N -2.33 3.59 0.53 1.29 0.04 -1.26 -5.00 135.00 131.86 1kqc s PRO 204 Ca 0.55 1.50 -0.19 0.00 0.04 0.00 0.00 61.00 62.90 1kqc s PRO 204 Cb -0.21 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 1kqc s PRO 204 CO 0.27 -0.63 1.07 0.15 0.04 0.00 0.00 177.00 177.89 1kqc s LYS 205 N -3.22 3.55 -0.05 4.56 1.02 -1.26 -5.05 119.74 119.28 1kqc s LYS 205 Ca 0.70 1.39 0.00 0.00 0.02 0.00 0.00 55.97 58.09 1kqc s LYS 205 Cb -0.21 -2.05 0.02 0.00 -0.52 0.00 0.00 37.83 35.08 1kqc s LYS 205 CO 0.24 -0.65 -0.03 0.45 -0.92 0.00 0.00 175.35 174.44 1kqc s SER 206 N -2.12 1.01 0.02 2.83 0.15 -1.26 -5.14 113.70 109.20 1kqc s SER 206 Ca 0.68 -0.11 -0.07 0.00 0.70 0.00 0.00 55.95 57.15 1kqc s SER 206 Cb -0.18 -0.42 -0.00 0.00 -1.71 0.00 0.00 66.02 63.71 1kqc s SER 206 CO 0.26 -0.09 0.14 -0.13 1.20 0.00 0.00 173.24 174.62 1kqc s ARG 207 N 1.14 0.55 0.69 5.44 1.81 -1.26 -5.15 118.95 122.17 1kqc s ARG 207 Ca -0.08 -0.52 -0.15 0.00 -1.72 0.00 0.00 55.73 53.26 1kqc s ARG 207 Cb -0.14 0.23 0.02 0.00 -0.45 0.00 0.00 34.95 34.61 1kqc s ARG 207 CO -0.01 -0.14 1.16 -0.51 -0.68 0.00 0.00 175.30 175.11 1kqc s LEU 208 N -1.70 3.37 0.57 2.53 1.43 -1.26 -4.97 118.68 118.65 1kqc s LEU 208 Ca -0.11 2.18 -0.20 0.00 -1.03 0.00 0.00 54.13 54.97 1kqc s LEU 208 Cb -0.05 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.56 1kqc s LEU 208 CO -0.01 -1.92 1.25 -2.16 0.23 0.00 0.00 176.35 173.74 1kqc s PRO 209 N -3.97 3.10 0.40 1.29 0.04 -1.26 -4.84 135.00 129.75 1kqc s PRO 209 Ca 0.71 1.95 0.09 0.00 0.04 0.00 0.00 61.00 63.78 1kqc s PRO 209 Cb -0.25 -2.08 0.86 0.00 0.04 0.00 0.00 34.50 33.07 1kqc s PRO 209 CO 0.43 -1.14 1.99 -0.07 0.04 0.00 0.00 177.00 178.25 1kqc h LEU 210 N 1.19 0.53 -2.49 -3.56 3.38 -1.95 -0.19 115.31 112.21 1kqc h LEU 210 Ca -0.50 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1kqc h LEU 210 Cb 1.29 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1kqc h LEU 210 CO 0.56 0.35 0.14 0.77 0.09 0.00 0.00 178.44 180.35 1kqc h SER 211 N 0.60 0.00 0.01 -0.43 4.64 -1.91 0.31 113.55 116.78 1kqc h SER 211 Ca 0.26 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 61.20 1kqc h SER 211 Cb 0.26 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 1kqc h SER 211 CO -0.08 0.00 -2.18 0.41 -0.87 0.00 0.00 176.83 174.11 1kqc n THR 212 N -3.26 1.55 0.17 2.95 -1.04 -0.12 -4.65 114.28 109.87 1kqc n THR 212 Ca -0.02 -0.37 0.12 0.00 -2.04 0.00 0.00 64.05 61.74 1kqc n THR 212 Cb 0.22 -1.80 0.09 0.00 -1.82 0.00 0.00 70.33 67.02 1kqc n THR 212 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 1kqc h ILE 213 N -0.67 0.02 -3.98 12.58 3.07 -1.20 -3.46 117.51 123.87 1kqc h ILE 213 Ca -0.57 -1.03 -0.69 0.00 1.55 0.00 0.00 64.86 64.13 1kqc h ILE 213 Cb 1.65 1.80 -0.28 0.00 -0.27 0.00 0.00 36.82 39.72 1kqc h ILE 213 CO -0.25 0.01 -0.84 -0.69 -1.05 0.00 0.00 178.15 175.33 1kqc s VAL 214 N -3.27 2.49 -0.19 0.16 1.01 0.08 -5.07 120.40 115.60 1kqc s VAL 214 Ca 0.04 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1kqc s VAL 214 Cb 0.07 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.54 1kqc s VAL 214 CO 0.72 0.57 -0.17 -0.89 0.00 0.00 0.00 175.10 175.34 1kqc s THR 215 N -0.29 1.98 -0.12 3.92 2.01 -1.26 -4.68 115.64 117.19 1kqc s THR 215 Ca 0.01 -1.04 -0.11 0.00 0.31 0.00 0.00 61.69 60.86 1kqc s THR 215 Cb -0.13 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1kqc s THR 215 CO 0.03 0.39 0.24 -1.61 -0.69 0.00 0.00 174.62 172.97 1kqc s GLU 216 N 1.29 3.91 0.00 4.92 2.02 -1.26 -5.25 118.70 124.33 1kqc s GLU 216 Ca 0.02 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.04 1kqc s GLU 216 Cb -0.15 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1kqc s GLU 216 CO -0.11 0.51 0.05 0.00 0.02 0.00 0.00 175.26 175.74