#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kh1 s PRO 3 N 0.00 1.32 0.26 0.38 0.02 -1.26 -4.87 135.00 130.84 3kh1 s PRO 3 Ca 0.00 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 62.63 3kh1 s PRO 3 Cb 0.00 -1.75 0.45 0.00 0.02 0.00 0.00 34.50 33.22 3kh1 s PRO 3 CO 0.00 -2.43 1.81 0.35 -0.33 0.00 0.00 177.00 176.40 3kh1 h PHE 4 N -1.42 0.92 0.00 6.54 3.57 -2.09 -0.89 116.94 123.58 3kh1 h PHE 4 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3kh1 h PHE 4 Cb 1.28 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3kh1 h PHE 4 CO 0.49 0.36 0.00 -1.35 -2.23 0.00 0.00 178.31 175.58 3kh1 h PRO 5 N 0.83 0.00 -0.18 6.41 0.11 -2.07 -2.02 132.00 135.08 3kh1 h PRO 5 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3kh1 h PRO 5 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3kh1 h PRO 5 CO -0.26 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 177.92 3kh1 n GLU 6 N -2.46 1.73 -0.19 1.05 -0.58 -0.34 -4.47 120.64 115.38 3kh1 n GLU 6 Ca 0.00 -1.10 -0.08 0.00 -0.42 0.00 0.00 57.16 55.56 3kh1 n GLU 6 Cb 0.16 -1.38 0.02 0.00 -0.57 0.00 0.00 31.44 29.66 3kh1 n GLU 6 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 3kh1 h SER 7 N 2.18 0.74 -0.05 1.62 0.02 -1.40 -1.36 113.55 115.29 3kh1 h SER 7 Ca 0.00 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3kh1 h SER 7 Cb 0.48 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 3kh1 h SER 7 CO 0.00 0.70 0.02 -0.09 -1.14 0.00 0.00 176.83 176.32 3kh1 h ARG 8 N 0.73 0.07 -0.66 3.45 2.43 -1.82 -1.08 114.38 117.49 3kh1 h ARG 8 Ca 0.18 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3kh1 h ARG 8 Cb 0.19 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3kh1 h ARG 8 CO -0.02 0.23 0.12 1.25 -1.51 0.00 0.00 179.97 180.04 3kh1 h LEU 9 N -0.10 1.04 -1.08 3.80 5.85 -1.86 -1.27 115.31 121.69 3kh1 h LEU 9 Ca 0.02 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 3kh1 h LEU 9 Cb 0.18 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3kh1 h LEU 9 CO -0.00 1.03 0.36 0.00 -0.34 0.00 0.00 178.44 179.49 3kh1 h ALA 10 N 1.05 1.29 -0.31 1.25 0.00 -1.00 -2.68 119.26 118.87 3kh1 h ALA 10 Ca 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kh1 h ALA 10 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kh1 h ALA 10 CO 0.01 0.56 0.03 0.00 0.00 0.00 0.00 179.25 179.85 3kh1 h ALA 11 N 1.39 0.41 0.00 0.00 0.00 -0.78 -0.60 119.26 119.69 3kh1 h ALA 11 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kh1 h ALA 11 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kh1 h ALA 11 CO -0.04 0.13 0.00 1.04 0.00 0.00 0.00 179.25 180.38 3kh1 n GLN 12 N -4.60 0.00 0.00 0.00 6.02 -0.52 -2.12 117.38 116.17 3kh1 n GLN 12 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3kh1 n GLN 12 Cb 0.23 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.37 3kh1 n GLN 12 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3kh1 n SER 14 N 0.64 0.00 -0.06 1.08 3.41 -0.23 -1.68 113.62 116.77 3kh1 n SER 14 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3kh1 n SER 14 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3kh1 n SER 14 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3kh1 h PHE 15 N 0.00 0.50 -0.58 7.33 3.57 -1.70 -1.42 116.94 124.65 3kh1 h PHE 15 Ca 0.00 -0.14 0.10 0.00 3.53 0.00 0.00 57.97 61.46 3kh1 h PHE 15 Cb 0.00 -0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.55 3kh1 h PHE 15 CO 0.00 0.77 0.16 0.28 -2.23 0.00 0.00 178.31 177.28 3kh1 h VAL 16 N 0.09 0.70 -0.26 1.41 2.07 -1.61 -1.62 116.25 117.04 3kh1 h VAL 16 Ca 0.03 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 3kh1 h VAL 16 Cb 0.67 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3kh1 h VAL 16 CO 0.04 0.06 -0.09 0.58 0.02 0.00 0.00 177.57 178.18 3kh1 h VAL 17 N 0.30 1.29 -0.90 2.57 2.07 -1.82 -3.25 116.25 116.50 3kh1 h VAL 17 Ca 0.30 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.72 3kh1 h VAL 17 Cb 0.41 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3kh1 h VAL 17 CO -0.35 0.36 0.59 -0.08 0.02 0.00 0.00 177.57 178.11 3kh1 h GLU 18 N 0.27 1.10 0.00 1.57 4.57 -0.71 -2.83 114.58 118.55 3kh1 h GLU 18 Ca 0.06 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3kh1 h GLU 18 Cb 0.57 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3kh1 h GLU 18 CO 0.03 0.73 0.00 0.44 -1.18 0.00 0.00 179.01 179.03 3kh1 n ILE 19 N -4.44 0.23 -0.42 2.32 -5.35 -0.66 -1.73 119.36 109.32 3kh1 n ILE 19 Ca 0.12 0.06 0.34 0.00 -0.27 0.00 0.00 62.75 62.99 3kh1 n ILE 19 Cb 0.09 -0.65 0.63 0.00 -1.74 0.00 0.00 39.64 37.97 3kh1 n ILE 19 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 3kh1 h ASP 20 N 0.00 0.26 0.27 7.28 3.58 -1.61 -1.41 116.42 124.79 3kh1 h ASP 20 Ca 0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 3kh1 h ASP 20 Cb 0.25 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3kh1 h ASP 20 CO 0.00 -0.08 0.00 0.11 -2.88 0.00 0.00 179.24 176.39 3kh1 h LYS 21 N 0.16 0.00 0.00 0.28 1.57 -1.57 -2.08 116.57 114.92 3kh1 h LYS 21 Ca 0.74 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.50 3kh1 h LYS 21 Cb 2.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.64 3kh1 h LYS 21 CO -0.32 0.00 -0.08 1.25 -0.57 0.00 0.00 179.45 179.72 3kh1 h LEU 22 N 0.00 0.00 -2.03 2.94 5.85 -1.50 -2.09 115.31 118.48 3kh1 h LEU 22 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kh1 h LEU 22 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3kh1 h LEU 22 CO 0.00 0.08 0.00 0.11 -0.34 0.00 0.00 178.44 178.29 3kh1 h LYS 23 N 0.00 0.00 -0.02 1.25 1.57 -1.58 -2.49 116.57 115.30 3kh1 h LYS 23 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kh1 h LYS 23 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3kh1 h LYS 23 CO 0.01 0.00 -0.22 0.25 -0.57 0.00 0.00 179.45 178.92 3kh1 n THR 24 N -2.83 0.00 -3.27 -0.16 -2.24 -0.79 -4.71 114.28 100.28 3kh1 n THR 24 Ca -0.01 -0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 61.07 3kh1 n THR 24 Cb 0.14 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.31 3kh1 n THR 24 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kh1 s ILE 25 N -2.27 5.07 -0.12 2.28 -1.09 -0.94 -5.01 121.20 119.11 3kh1 s ILE 25 Ca 0.26 0.52 -0.07 0.00 -2.23 0.00 0.00 60.65 59.12 3kh1 s ILE 25 Cb 0.19 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 3kh1 s ILE 25 CO 0.45 -0.06 0.13 -0.76 -1.23 0.00 0.00 174.94 173.47 3kh1 s LEU 26 N 2.29 4.31 0.58 2.97 1.43 -1.26 -0.49 118.68 128.51 3kh1 s LEU 26 Ca 0.18 0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.76 3kh1 s LEU 26 Cb -0.16 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.08 3kh1 s LEU 26 CO 0.11 0.39 0.80 -0.13 0.23 0.00 0.00 176.35 177.75 3kh1 s ARG 27 N -0.92 2.30 0.15 1.70 0.52 -0.03 -4.65 118.95 118.01 3kh1 s ARG 27 Ca 0.14 -1.24 0.24 0.00 -0.52 0.00 0.00 55.73 54.35 3kh1 s ARG 27 Cb -0.12 -2.55 0.22 0.00 0.52 0.00 0.00 34.95 33.02 3kh1 s ARG 27 CO 0.03 -0.86 1.23 1.96 0.02 0.00 0.00 175.30 177.68 3kh1 h GLN 28 N 0.06 0.00 -6.71 3.54 1.08 -1.98 -3.40 115.11 107.70 3kh1 h GLN 28 Ca -0.36 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.30 3kh1 h GLN 28 Cb 1.28 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 28.79 3kh1 h GLN 28 CO 0.44 0.00 0.88 2.41 -0.95 0.00 0.00 178.83 181.60 3kh1 n THR 29 N -2.31 0.68 -3.56 -0.54 -1.04 -1.26 -4.75 114.28 101.51 3kh1 n THR 29 Ca 0.02 -0.17 -0.32 0.00 -2.04 0.00 0.00 64.05 61.54 3kh1 n THR 29 Cb 0.48 -1.88 -0.05 0.00 -1.82 0.00 0.00 70.33 67.06 3kh1 n THR 29 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3kh1 s LEU 30 N 0.11 4.24 0.83 -4.42 1.43 -1.26 -0.79 118.68 118.82 3kh1 s LEU 30 Ca 0.68 0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 54.39 3kh1 s LEU 30 Cb -0.53 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.27 3kh1 s LEU 30 CO 0.44 0.02 0.52 0.18 0.23 0.00 0.00 176.35 177.73 3kh1 n LEU 31 N 0.09 0.62 0.29 1.79 4.32 -0.40 -4.75 117.00 118.96 3kh1 n LEU 31 Ca -0.02 0.47 0.15 0.00 -0.02 0.00 0.00 56.01 56.60 3kh1 n LEU 31 Cb 0.52 -1.23 0.89 0.00 -1.62 0.00 0.00 43.42 41.98 3kh1 n LEU 31 CO 0.46 -3.25 1.08 0.71 -1.22 0.00 0.00 177.39 175.18 3kh1 h THR 32 N -0.95 0.47 -0.41 -5.08 1.35 -1.91 0.13 112.91 106.51 3kh1 h THR 32 Ca -0.45 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3kh1 h THR 32 Cb 1.31 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 3kh1 h THR 32 CO 0.39 0.04 0.00 -0.90 -0.25 0.00 0.00 175.52 174.80 3kh1 n ASP 33 N -3.68 2.20 -1.31 5.36 5.68 -1.26 -4.23 116.55 119.31 3kh1 n ASP 33 Ca -0.03 -2.00 -0.17 0.00 -0.50 0.00 0.00 54.79 52.09 3kh1 n ASP 33 Cb 0.13 -0.28 -0.07 0.00 -1.14 0.00 0.00 41.12 39.77 3kh1 n ASP 33 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3kh1 n SER 34 N 0.69 -5.38 0.17 -1.12 7.64 0.45 -4.88 113.62 111.19 3kh1 n SER 34 Ca 0.14 0.41 0.03 0.00 1.01 0.00 0.00 58.87 60.46 3kh1 n SER 34 Cb 0.35 -4.47 0.30 0.00 -1.01 0.00 0.00 64.21 59.38 3kh1 n SER 34 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3kh1 h SER 35 N 0.00 0.00 -5.32 6.43 4.64 -1.93 -3.47 113.55 113.91 3kh1 h SER 35 Ca -0.34 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.26 3kh1 h SER 35 Cb 1.25 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.21 3kh1 h SER 35 CO 0.50 0.44 0.77 0.00 -0.87 0.00 0.00 176.83 177.67 3kh1 s ARG 36 N -3.70 0.50 0.50 4.77 1.70 -1.26 -5.05 118.95 116.40 3kh1 s ARG 36 Ca -0.01 -0.26 -0.22 0.00 -0.47 0.00 0.00 55.73 54.78 3kh1 s ARG 36 Cb 0.12 0.18 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 3kh1 s ARG 36 CO 0.71 -0.23 1.21 1.03 -1.08 0.00 0.00 175.30 176.95 3kh1 s ARG 37 N -2.57 3.49 0.32 3.89 0.52 -1.26 -1.28 118.95 122.07 3kh1 s ARG 37 Ca 0.12 1.88 -0.28 0.00 -0.52 0.00 0.00 55.73 56.93 3kh1 s ARG 37 Cb 0.02 -2.29 -0.09 0.00 0.52 0.00 0.00 34.95 33.11 3kh1 s ARG 37 CO -0.03 -0.80 1.12 -2.00 0.02 0.00 0.00 175.30 173.61 3kh1 s GLU 38 N -2.86 4.45 0.43 3.54 2.12 0.03 -4.74 118.70 121.66 3kh1 s GLU 38 Ca 0.68 1.81 0.01 0.00 0.36 0.00 0.00 54.97 57.83 3kh1 s GLU 38 Cb -0.31 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 3kh1 s GLU 38 CO 0.37 0.04 0.63 0.54 -0.54 0.00 0.00 175.26 176.30 3kh1 s ASN 39 N -0.98 5.87 0.26 -1.70 2.20 -1.26 -0.86 114.94 118.47 3kh1 s ASN 39 Ca 0.49 0.20 -0.02 0.00 -0.94 0.00 0.00 52.86 52.59 3kh1 s ASN 39 Cb -0.31 -1.50 0.33 0.00 -2.00 0.00 0.00 41.25 37.77 3kh1 s ASN 39 CO 0.40 -0.64 1.75 0.44 -2.94 0.00 0.00 177.10 176.11 3kh1 h ASP 40 N 0.50 0.76 -0.13 3.54 5.19 -0.89 -1.13 116.42 124.25 3kh1 h ASP 40 Ca -0.46 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 55.74 3kh1 h ASP 40 Cb 1.25 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.56 3kh1 h ASP 40 CO 0.57 0.83 -0.01 0.00 -3.12 0.00 0.00 179.24 177.51 3kh1 h ALA 41 N 1.25 0.18 0.00 3.45 0.00 -1.84 -1.33 119.26 120.97 3kh1 h ALA 41 Ca 0.14 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3kh1 h ALA 41 Cb 0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kh1 h ALA 41 CO 0.02 -0.10 -0.37 1.05 0.00 0.00 0.00 179.25 179.85 3kh1 h GLU 42 N -0.04 0.00 -0.16 0.00 4.11 -1.89 -0.76 114.58 115.85 3kh1 h GLU 42 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 3kh1 h GLU 42 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3kh1 h GLU 42 CO 0.01 0.37 0.05 1.25 0.07 0.00 0.00 179.01 180.75 3kh1 h HIS 43 N 0.00 0.25 -0.68 2.06 2.76 -1.11 -1.77 115.15 116.67 3kh1 h HIS 43 Ca -0.00 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.06 3kh1 h HIS 43 Cb 0.82 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.68 3kh1 h HIS 43 CO 0.00 0.36 0.13 0.77 -1.30 0.00 0.00 177.93 177.89 3kh1 h SER 44 N 0.07 1.07 -0.48 3.26 0.02 -0.89 -1.14 113.55 115.46 3kh1 h SER 44 Ca 0.05 -0.25 0.10 0.00 -0.84 0.00 0.00 61.79 60.84 3kh1 h SER 44 Cb 0.23 -0.28 -0.09 0.00 0.14 0.00 0.00 62.40 62.40 3kh1 h SER 44 CO -0.00 1.05 -0.12 -0.25 -1.14 0.00 0.00 176.83 176.37 3kh1 h TRP 45 N 1.04 -0.25 -0.38 3.45 7.01 -1.00 -1.09 115.95 124.74 3kh1 h TRP 45 Ca 0.21 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.20 3kh1 h TRP 45 Cb 0.42 0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.65 3kh1 h TRP 45 CO 0.03 -0.20 0.04 1.25 -2.79 0.00 0.00 178.44 176.77 3kh1 h HIS 46 N 0.00 0.69 0.02 2.65 2.76 -0.51 -1.53 115.15 119.22 3kh1 h HIS 46 Ca 0.23 -0.11 -0.20 0.00 -2.20 0.00 0.00 60.37 58.09 3kh1 h HIS 46 Cb 0.35 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 3kh1 h HIS 46 CO -0.41 0.70 -0.93 -0.84 -1.30 0.00 0.00 177.93 175.16 3kh1 h ILE 47 N 0.47 1.56 -0.62 6.26 3.07 -1.15 -2.91 117.51 124.19 3kh1 h ILE 47 Ca 0.11 -2.87 -0.04 0.00 1.55 0.00 0.00 64.86 63.60 3kh1 h ILE 47 Cb 0.40 2.61 -0.03 0.00 -0.27 0.00 0.00 36.82 39.53 3kh1 h ILE 47 CO 0.01 0.83 0.21 0.00 -1.05 0.00 0.00 178.15 178.15 3kh1 h ALA 48 N 0.98 1.20 0.00 0.16 0.00 -1.11 -1.12 119.26 119.37 3kh1 h ALA 48 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kh1 h ALA 48 Cb 1.60 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3kh1 h ALA 48 CO 0.13 0.57 0.00 2.41 0.00 0.00 0.00 179.25 182.36 3kh1 n THR 49 N -4.29 0.32 0.00 0.00 -1.04 -0.59 -3.10 114.28 105.59 3kh1 n THR 49 Ca 0.05 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3kh1 n THR 49 Cb 0.20 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 3kh1 n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kh1 n ALA 51 N 1.03 0.00 -0.09 2.41 0.00 -0.43 -1.58 120.51 121.86 3kh1 n ALA 51 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3kh1 n ALA 51 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 3kh1 n ALA 51 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kh1 h PHE 52 N 0.00 0.65 -0.35 0.00 0.04 -1.84 -2.38 116.94 113.05 3kh1 h PHE 52 Ca 0.00 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.54 3kh1 h PHE 52 Cb 0.00 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 3kh1 h PHE 52 CO 0.00 0.83 -0.02 -0.07 -0.60 0.00 0.00 178.31 178.45 3kh1 h LEU 53 N 0.29 0.53 -3.18 1.54 3.38 -1.60 -3.10 115.31 113.17 3kh1 h LEU 53 Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kh1 h LEU 53 Cb 0.68 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3kh1 h LEU 53 CO 0.04 0.62 0.00 0.18 0.09 0.00 0.00 178.44 179.37 3kh1 n LEU 54 N -4.25 4.11 -0.19 1.67 4.77 -1.22 -4.66 117.00 117.23 3kh1 n LEU 54 Ca 0.02 -2.63 0.16 0.00 -0.03 0.00 0.00 56.01 53.52 3kh1 n LEU 54 Cb 0.27 -0.50 0.49 0.00 -2.33 0.00 0.00 43.42 41.35 3kh1 n LEU 54 CO 0.40 0.72 1.21 0.00 -1.33 0.00 0.00 177.39 178.39 3kh1 h ALA 55 N 2.69 2.10 0.00 -1.18 0.00 -1.35 -1.52 119.26 120.00 3kh1 h ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kh1 h ALA 55 Cb 1.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kh1 h ALA 55 CO 0.21 -0.33 0.00 1.05 0.00 0.00 0.00 179.25 180.18 3kh1 h GLU 56 N 0.44 0.00 -0.01 0.00 4.11 -1.86 -1.77 114.58 115.50 3kh1 h GLU 56 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 3kh1 h GLU 56 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3kh1 h GLU 56 CO -0.14 0.00 -0.15 0.66 0.07 0.00 0.00 179.01 179.46 3kh1 n TYR 57 N -2.75 0.00 -3.01 2.06 4.01 -0.57 -4.93 117.16 111.97 3kh1 n TYR 57 Ca -0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 3kh1 n TYR 57 Cb 0.19 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 39.05 3kh1 n TYR 57 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kh1 s ALA 58 N -2.36 3.22 0.66 -0.72 0.00 -0.67 -4.59 121.76 117.30 3kh1 s ALA 58 Ca 0.30 0.16 -0.18 0.00 0.00 0.00 0.00 51.96 52.24 3kh1 s ALA 58 Cb 0.20 -2.90 -0.00 0.00 0.00 0.00 0.00 23.12 20.41 3kh1 s ALA 58 CO 0.46 0.25 1.28 0.34 0.00 0.00 0.00 175.76 178.09 3kh1 s ASP 59 N -2.27 4.54 0.42 0.00 2.15 -1.26 -4.89 116.67 115.35 3kh1 s ASP 59 Ca 0.57 2.59 0.18 0.00 0.43 0.00 0.00 52.55 56.32 3kh1 s ASP 59 Cb -0.10 -2.62 1.09 0.00 -0.30 0.00 0.00 42.92 40.99 3kh1 s ASP 59 CO 0.16 -2.05 1.84 1.05 -0.17 0.00 0.00 175.17 176.01 3kh1 h GLU 60 N 0.44 0.40 0.00 4.34 4.11 -1.97 -1.30 114.58 120.60 3kh1 h GLU 60 Ca -0.51 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.90 3kh1 h GLU 60 Cb 1.33 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3kh1 h GLU 60 CO 0.53 0.26 0.00 0.00 0.07 0.00 0.00 179.01 179.87 3kh1 n ALA 61 N -2.51 1.97 -1.96 1.06 0.00 -1.26 -4.81 120.51 113.00 3kh1 n ALA 61 Ca 0.20 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 3kh1 n ALA 61 Cb 0.73 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 3kh1 n ALA 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3kh1 s VAL 62 N -3.05 3.56 -0.48 0.00 -7.23 -0.49 -4.86 120.40 107.85 3kh1 s VAL 62 Ca 0.10 1.40 -0.16 0.00 -1.81 0.00 0.00 61.98 61.51 3kh1 s VAL 62 Cb 0.13 -3.89 0.08 0.00 0.56 0.00 0.00 36.38 33.26 3kh1 s VAL 62 CO 0.41 0.26 0.41 -1.10 -0.31 0.00 0.00 175.10 174.77 3kh1 s GLN 63 N -0.69 2.98 0.29 4.82 -0.21 -1.26 -4.97 119.66 120.62 3kh1 s GLN 63 Ca 0.50 -1.37 -0.00 0.00 0.02 0.00 0.00 55.36 54.50 3kh1 s GLN 63 Cb -0.32 -4.15 0.44 0.00 1.00 0.00 0.00 33.01 29.98 3kh1 s GLN 63 CO 0.38 -1.05 1.83 0.97 -2.12 0.00 0.00 175.29 175.30 3kh1 h ILE 64 N 5.77 1.22 -0.43 1.08 6.09 -1.96 -0.50 117.51 128.78 3kh1 h ILE 64 Ca -0.29 -0.81 -0.04 0.00 -1.37 0.00 0.00 64.86 62.35 3kh1 h ILE 64 Cb 1.11 0.73 -0.02 0.00 0.47 0.00 0.00 36.82 39.11 3kh1 h ILE 64 CO 0.89 0.30 0.08 1.23 -3.07 0.00 0.00 178.15 177.58 3kh1 h GLY 65 N 0.94 0.70 1.11 8.18 0.00 -1.97 -0.47 103.07 111.56 3kh1 h GLY 65 Ca 0.16 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 46.93 3kh1 h GLY 65 CO 0.00 0.37 -0.44 -0.09 0.00 0.00 0.00 176.54 176.38 3kh1 h ARG 66 N 0.63 0.87 -0.61 4.80 2.43 -1.76 -0.98 114.38 119.76 3kh1 h ARG 66 Ca 0.14 -0.51 0.07 0.00 -0.81 0.00 0.00 59.98 58.87 3kh1 h ARG 66 Cb 0.28 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 3kh1 h ARG 66 CO 0.00 1.15 0.30 0.28 -1.51 0.00 0.00 179.97 180.19 3kh1 h VAL 67 N 0.66 0.90 -0.10 0.20 2.07 -0.81 -2.72 116.25 116.45 3kh1 h VAL 67 Ca 0.04 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3kh1 h VAL 67 Cb 1.05 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3kh1 h VAL 67 CO 0.10 0.10 0.06 0.00 0.02 0.00 0.00 177.57 177.86 3kh1 h ALA 68 N 1.36 0.13 0.00 1.67 0.00 -0.86 0.15 119.26 121.71 3kh1 h ALA 68 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kh1 h ALA 68 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kh1 h ALA 68 CO -0.22 -0.39 0.00 -2.13 0.00 0.00 0.00 179.25 176.51 3kh1 n ARG 69 N -5.03 0.00 0.00 0.00 0.63 -0.39 -0.89 116.66 110.98 3kh1 n ARG 69 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 3kh1 n ARG 69 Cb 0.03 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 31.73 3kh1 n ARG 69 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3kh1 n LEU 71 N 0.72 0.00 0.13 6.15 4.77 0.04 -1.95 117.00 126.86 3kh1 n LEU 71 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3kh1 n LEU 71 Cb 0.00 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.62 3kh1 n LEU 71 CO 0.00 0.00 1.11 -0.07 -1.33 0.00 0.00 177.39 177.10 3kh1 h LEU 72 N 0.00 0.23 -0.57 2.23 3.38 -1.27 -3.04 115.31 116.27 3kh1 h LEU 72 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kh1 h LEU 72 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kh1 h LEU 72 CO 0.00 0.17 -0.58 2.30 0.09 0.00 0.00 178.44 180.42 3kh1 n ILE 73 N -4.51 0.00 0.28 1.22 -6.64 -0.82 -4.67 119.36 104.22 3kh1 n ILE 73 Ca 0.00 -0.21 0.13 0.00 -1.77 0.00 0.00 62.75 60.90 3kh1 n ILE 73 Cb 0.08 1.14 0.79 0.00 -1.44 0.00 0.00 39.64 40.20 3kh1 n ILE 73 CO 0.00 0.00 0.00 1.12 -1.77 0.00 0.00 176.55 175.90 3kh1 h HIS 74 N 1.27 0.00 -0.38 4.28 2.07 -1.80 -2.21 115.15 118.38 3kh1 h HIS 74 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3kh1 h HIS 74 Cb 0.56 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 3kh1 h HIS 74 CO 0.00 0.06 0.00 -0.25 -3.07 0.00 0.00 177.93 174.67 3kh1 n ASP 75 N -3.87 3.10 -0.29 3.10 8.00 -1.26 -4.62 116.55 120.71 3kh1 n ASP 75 Ca -0.03 -1.92 0.10 0.00 0.71 0.00 0.00 54.79 53.66 3kh1 n ASP 75 Cb 0.15 -0.25 0.34 0.00 -0.02 0.00 0.00 41.12 41.34 3kh1 n ASP 75 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3kh1 h ILE 76 N 3.01 0.87 -0.16 0.53 2.04 -1.70 0.12 117.51 122.21 3kh1 h ILE 76 Ca 0.00 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.64 3kh1 h ILE 76 Cb 0.80 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3kh1 h ILE 76 CO 0.00 0.14 0.19 -0.37 0.00 0.00 0.00 178.15 178.11 3kh1 h VAL 77 N 0.77 0.45 0.00 1.67 -1.51 -1.82 -1.74 116.25 114.07 3kh1 h VAL 77 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.92 3kh1 h VAL 77 Cb 0.64 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 3kh1 h VAL 77 CO -0.21 0.00 0.00 -0.33 -1.23 0.00 0.00 177.57 175.80 3kh1 h GLU 78 N 0.00 0.00 -0.78 5.19 5.08 -1.02 -1.00 114.58 122.05 3kh1 h GLU 78 Ca 0.08 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.62 3kh1 h GLU 78 Cb 0.46 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.59 3kh1 h GLU 78 CO -0.00 0.00 0.20 0.82 -1.00 0.00 0.00 179.01 179.02 3kh1 h ILE 79 N 0.00 0.47 0.03 3.13 2.04 -1.45 0.12 117.51 121.84 3kh1 h ILE 79 Ca 0.00 -0.09 -0.37 0.00 1.00 0.00 0.00 64.86 65.40 3kh1 h ILE 79 Cb 0.28 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 3kh1 h ILE 79 CO 0.00 0.05 -2.27 0.47 0.00 0.00 0.00 178.15 176.40 3kh1 n ASP 80 N -5.17 1.39 0.10 1.72 8.00 -0.96 -4.61 116.55 117.03 3kh1 n ASP 80 Ca 0.16 0.03 0.12 0.00 0.71 0.00 0.00 54.79 55.81 3kh1 n ASP 80 Cb 0.51 -0.12 0.18 0.00 -0.02 0.00 0.00 41.12 41.68 3kh1 n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kh1 h ALA 81 N 0.38 0.71 -1.03 2.24 0.00 -1.11 -3.50 119.26 116.95 3kh1 h ALA 81 Ca -0.51 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.52 3kh1 h ALA 81 Cb 2.03 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 3kh1 h ALA 81 CO -0.00 0.00 -0.22 0.41 0.00 0.00 0.00 179.25 179.43 3kh1 n GLY 82 N 1.27 -1.80 3.86 0.00 0.00 0.41 -4.90 105.19 104.03 3kh1 n GLY 82 Ca 0.03 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 3kh1 n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kh1 s ASP 83 N -4.63 6.71 -0.16 1.61 2.15 -1.26 -4.61 116.67 116.48 3kh1 s ASP 83 Ca 0.00 0.92 0.01 0.00 0.43 0.00 0.00 52.55 53.91 3kh1 s ASP 83 Cb 0.00 -2.23 0.02 0.00 -0.30 0.00 0.00 42.92 40.41 3kh1 s ASP 83 CO 0.00 0.11 -0.18 -0.89 -0.17 0.00 0.00 175.17 174.04 3kh1 s THR 84 N -1.48 1.88 0.25 1.71 2.01 -1.26 -5.09 115.64 113.67 3kh1 s THR 84 Ca 0.37 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 3kh1 s THR 84 Cb -0.14 -1.71 -0.10 0.00 0.01 0.00 0.00 72.50 70.56 3kh1 s THR 84 CO 0.19 0.51 1.45 0.12 -0.69 0.00 0.00 174.62 176.20 3kh1 s PHE 85 N 1.25 3.00 0.42 4.92 5.36 -1.26 -4.88 117.98 126.79 3kh1 s PHE 85 Ca 0.02 1.02 0.12 0.00 -0.96 0.00 0.00 56.93 57.14 3kh1 s PHE 85 Cb -0.13 -3.83 0.97 0.00 -0.34 0.00 0.00 43.02 39.69 3kh1 s PHE 85 CO -0.10 -2.70 1.99 0.97 -1.46 0.00 0.00 175.22 173.92 3kh1 h ILE 86 N 3.52 0.94 -0.11 3.12 6.09 -2.05 -0.96 117.51 128.07 3kh1 h ILE 86 Ca -0.46 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.87 3kh1 h ILE 86 Cb 1.22 0.44 0.00 0.00 0.47 0.00 0.00 36.82 38.94 3kh1 h ILE 86 CO 0.77 0.08 0.00 1.41 -3.07 0.00 0.00 178.15 177.35 3kh1 n HIS 87 N -4.47 0.13 -2.85 2.19 8.25 -1.26 -4.76 115.22 112.44 3kh1 n HIS 87 Ca 0.09 -0.06 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 3kh1 n HIS 87 Cb 0.30 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 3kh1 n HIS 87 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kh1 s ASP 88 N -1.75 6.40 0.14 0.41 2.15 -0.37 -4.94 116.67 118.71 3kh1 s ASP 88 Ca 0.35 -1.47 -0.27 0.00 0.43 0.00 0.00 52.55 51.59 3kh1 s ASP 88 Cb 0.19 -2.43 -0.02 0.00 -0.30 0.00 0.00 42.92 40.36 3kh1 s ASP 88 CO 0.29 -1.30 1.60 1.05 -0.17 0.00 0.00 175.17 176.65 3kh1 h GLU 89 N 9.29 -0.40 -6.63 4.34 4.11 -1.86 -3.46 114.58 119.98 3kh1 h GLU 89 Ca -0.05 0.03 -0.58 0.00 0.07 0.00 0.00 59.36 58.83 3kh1 h GLU 89 Cb 1.04 0.09 0.09 0.00 0.50 0.00 0.00 28.75 30.48 3kh1 h GLU 89 CO 1.18 -0.27 0.56 0.00 0.07 0.00 0.00 179.01 180.55 3kh1 n ALA 90 N -2.88 1.10 -0.03 1.06 0.00 -1.26 -5.15 120.51 113.35 3kh1 n ALA 90 Ca -0.03 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3kh1 n ALA 90 Cb 0.34 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.53 3kh1 n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kh1 n ASP 94 N 1.68 0.00 -0.06 0.00 3.85 -1.26 -5.19 116.55 115.57 3kh1 n ASP 94 Ca 0.09 0.00 -0.10 0.00 -0.71 0.00 0.00 54.79 54.07 3kh1 n ASP 94 Cb 0.33 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.07 3kh1 n ASP 94 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 3kh1 h LYS 95 N 0.00 0.30 -0.48 0.11 3.64 -1.99 -0.09 116.57 118.07 3kh1 h LYS 95 Ca 0.00 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3kh1 h LYS 95 Cb 0.00 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 3kh1 h LYS 95 CO 0.00 0.26 0.09 0.93 -2.27 0.00 0.00 179.45 178.46 3kh1 h GLU 96 N 0.26 0.22 -0.38 1.90 4.39 -2.02 -0.35 114.58 118.60 3kh1 h GLU 96 Ca 0.08 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 3kh1 h GLU 96 Cb 0.03 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3kh1 h GLU 96 CO -0.01 0.15 -0.11 1.49 -1.16 0.00 0.00 179.01 179.36 3kh1 h GLU 97 N 0.23 0.74 -0.57 2.33 4.22 -1.84 -0.53 114.58 119.16 3kh1 h GLU 97 Ca 0.24 -0.29 -0.08 0.00 0.08 0.00 0.00 59.36 59.31 3kh1 h GLU 97 Cb 0.32 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3kh1 h GLU 97 CO -0.32 0.89 0.05 0.00 -2.18 0.00 0.00 179.01 177.45 3kh1 h ARG 98 N 0.54 0.95 -0.31 1.92 3.08 -0.75 -1.74 114.38 118.07 3kh1 h ARG 98 Ca 0.09 -0.26 -0.18 0.00 0.07 0.00 0.00 59.98 59.70 3kh1 h ARG 98 Cb 0.63 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 3kh1 h ARG 98 CO 0.04 0.91 -0.52 0.93 -1.07 0.00 0.00 179.97 180.26 3kh1 h GLU 99 N 0.89 0.90 -0.25 0.04 5.08 -0.97 -0.55 114.58 119.71 3kh1 h GLU 99 Ca 0.17 -0.55 0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3kh1 h GLU 99 Cb 0.46 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3kh1 h GLU 99 CO 0.02 1.19 0.13 -0.09 -1.00 0.00 0.00 179.01 179.26 3kh1 h ARG 100 N 0.69 0.27 -0.76 2.33 2.43 -0.94 0.46 114.38 118.85 3kh1 h ARG 100 Ca 0.02 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3kh1 h ARG 100 Cb 1.13 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 3kh1 h ARG 100 CO 0.12 0.18 0.29 0.87 -1.51 0.00 0.00 179.97 179.91 3kh1 h LYS 101 N 0.28 1.15 -0.20 0.20 1.57 -1.27 -2.18 116.57 116.12 3kh1 h LYS 101 Ca 0.10 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3kh1 h LYS 101 Cb 0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3kh1 h LYS 101 CO -0.06 0.94 0.12 0.00 -0.57 0.00 0.00 179.45 179.89 3kh1 h ALA 102 N 1.19 0.25 -0.46 3.86 0.00 -0.66 -2.37 119.26 121.07 3kh1 h ALA 102 Ca 0.25 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3kh1 h ALA 102 Cb 0.24 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3kh1 h ALA 102 CO -0.02 -0.24 0.14 0.00 0.00 0.00 0.00 179.25 179.14 3kh1 h ALA 103 N 1.03 0.54 -0.78 0.00 0.00 -0.73 0.79 119.26 120.11 3kh1 h ALA 103 Ca 0.07 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3kh1 h ALA 103 Cb 0.02 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3kh1 h ALA 103 CO -0.01 -0.25 0.49 0.00 0.00 0.00 0.00 179.25 179.47 3kh1 h ALA 104 N 1.32 1.04 -0.03 0.00 0.00 -1.15 -0.88 119.26 119.57 3kh1 h ALA 104 Ca 0.22 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3kh1 h ALA 104 Cb 0.24 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3kh1 h ALA 104 CO -0.24 0.27 -0.34 -0.09 0.00 0.00 0.00 179.25 178.85 3kh1 h ARG 105 N 0.93 0.27 0.18 0.00 2.43 -0.99 -2.39 114.38 114.82 3kh1 h ARG 105 Ca 0.32 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3kh1 h ARG 105 Cb 0.07 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3kh1 h ARG 105 CO -0.13 0.94 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.11 3kh1 h LEU 106 N -0.30 -0.21 -2.28 3.80 3.38 -0.79 -3.09 115.31 115.82 3kh1 h LEU 106 Ca -0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3kh1 h LEU 106 Cb 1.04 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3kh1 h LEU 106 CO 0.07 0.31 -0.04 -0.26 0.09 0.00 0.00 178.44 178.60 3kh1 h PHE 107 N -1.03 0.00 0.00 1.13 0.04 -1.35 -2.12 116.94 113.61 3kh1 h PHE 107 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3kh1 h PHE 107 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 3kh1 h PHE 107 CO 0.03 0.04 0.00 0.78 -0.60 0.00 0.00 178.31 178.56 3kh1 h GLY 108 N 0.26 0.00 2.00 -1.45 0.00 -1.40 -0.99 103.07 101.49 3kh1 h GLY 108 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3kh1 h GLY 108 CO 0.01 0.00 -0.26 1.41 0.00 0.00 0.00 176.54 177.69 3kh1 h LEU 109 N 0.00 0.00-10.34 3.11 3.38 -1.30 -3.45 115.31 106.71 3kh1 h LEU 109 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3kh1 h LEU 109 Cb 0.29 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.16 3kh1 h LEU 109 CO 0.00 0.26 0.33 -0.76 0.09 0.00 0.00 178.44 178.36 3kh1 s LEU 110 N -8.27 2.87 0.70 1.67 1.43 -0.37 -4.52 118.68 112.18 3kh1 s LEU 110 Ca -0.03 1.63 -0.16 0.00 -1.03 0.00 0.00 54.13 54.53 3kh1 s LEU 110 Cb 0.15 -4.33 -0.01 0.00 0.03 0.00 0.00 46.19 42.03 3kh1 s LEU 110 CO 0.70 -1.94 0.91 -2.65 0.23 0.00 0.00 176.35 173.59 3kh1 n PRO 111 N -3.45 0.54 -0.33 1.29 -0.02 -1.26 -4.50 135.00 127.27 3kh1 n PRO 111 Ca 0.08 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 3kh1 n PRO 111 Cb 0.54 -2.16 0.30 0.00 -0.02 0.00 0.00 33.50 32.16 3kh1 n PRO 111 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kh1 h PRO 112 N -0.15 0.66 -0.44 0.52 0.11 -1.94 0.16 132.00 130.93 3kh1 h PRO 112 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3kh1 h PRO 112 Cb 1.34 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3kh1 h PRO 112 CO 0.47 0.44 0.23 0.38 -0.21 0.00 0.00 178.00 179.31 3kh1 h ASP 113 N 0.68 0.55 0.72 -2.05 2.03 -2.00 -2.05 116.42 114.30 3kh1 h ASP 113 Ca 0.56 -0.10 -0.20 0.00 -0.73 0.00 0.00 57.03 56.56 3kh1 h ASP 113 Cb 0.88 -0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 39.23 3kh1 h ASP 113 CO -0.40 0.49 -0.91 1.56 -1.03 0.00 0.00 179.24 178.95 3kh1 h GLN 114 N 0.57 0.11 -0.39 4.15 4.20 -1.69 -0.97 115.11 121.09 3kh1 h GLN 114 Ca 0.15 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.77 3kh1 h GLN 114 Cb 0.07 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 3kh1 h GLN 114 CO -0.02 0.94 0.12 0.00 -0.67 0.00 0.00 178.83 179.20 3kh1 h ALA 115 N 1.01 0.45 -0.36 3.87 0.00 -0.56 0.18 119.26 123.83 3kh1 h ALA 115 Ca -0.04 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3kh1 h ALA 115 Cb 1.57 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3kh1 h ALA 115 CO 0.13 -0.28 -0.14 0.00 0.00 0.00 0.00 179.25 178.96 3kh1 h ALA 116 N 1.27 0.51 0.01 0.00 0.00 -1.29 -2.07 119.26 117.68 3kh1 h ALA 116 Ca 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kh1 h ALA 116 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kh1 h ALA 116 CO -0.20 0.41 -0.01 1.49 0.00 0.00 0.00 179.25 180.94 3kh1 h GLU 117 N 0.53 -0.01 -0.10 0.00 4.81 -0.69 -1.61 114.58 117.50 3kh1 h GLU 117 Ca 0.08 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.11 3kh1 h GLU 117 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3kh1 h GLU 117 CO 0.05 0.01 -0.78 1.88 -0.73 0.00 0.00 179.01 179.43 3kh1 h TYR 118 N -0.04 0.80 -0.83 0.92 -1.99 -0.71 -0.96 116.97 114.17 3kh1 h TYR 118 Ca -0.00 -0.36 -0.02 0.00 2.00 0.00 0.00 58.73 60.35 3kh1 h TYR 118 Cb 0.03 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 38.60 3kh1 h TYR 118 CO -0.07 1.16 0.44 0.66 -0.00 0.00 0.00 178.16 180.35 3kh1 h SER 119 N 0.39 1.04 -0.60 3.88 4.64 -1.37 -1.54 113.55 120.00 3kh1 h SER 119 Ca -0.05 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 3kh1 h SER 119 Cb 1.39 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 3kh1 h SER 119 CO 0.15 0.85 0.13 0.00 -0.87 0.00 0.00 176.83 177.09 3kh1 h ALA 120 N 1.23 1.05 -0.52 5.18 0.00 -1.09 -0.79 119.26 124.32 3kh1 h ALA 120 Ca 0.29 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3kh1 h ALA 120 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3kh1 h ALA 120 CO -0.04 0.62 -0.03 1.25 0.00 0.00 0.00 179.25 181.05 3kh1 h LEU 121 N 0.95 0.93 -0.53 0.00 5.85 -0.82 0.72 115.31 122.40 3kh1 h LEU 121 Ca 0.20 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3kh1 h LEU 121 Cb 0.36 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3kh1 h LEU 121 CO 0.00 1.02 0.27 -0.25 -0.34 0.00 0.00 178.44 179.15 3kh1 h TRP 122 N 0.81 0.75 -0.16 1.25 7.01 -1.07 -1.37 115.95 123.17 3kh1 h TRP 122 Ca 0.14 -0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.04 3kh1 h TRP 122 Cb 0.56 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 3kh1 h TRP 122 CO 0.04 0.57 -0.23 1.96 -2.79 0.00 0.00 178.44 177.99 3kh1 h GLN 123 N 0.72 0.29 -0.43 2.65 1.08 -0.76 -0.88 115.11 117.77 3kh1 h GLN 123 Ca 0.19 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 3kh1 h GLN 123 Cb 0.08 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 3kh1 h GLN 123 CO -0.03 0.51 0.13 1.49 -0.95 0.00 0.00 178.83 179.98 3kh1 h GLU 124 N 0.26 0.67 -0.20 1.46 4.81 -0.63 -0.69 114.58 120.26 3kh1 h GLU 124 Ca 0.04 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3kh1 h GLU 124 Cb 0.56 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 3kh1 h GLU 124 CO 0.04 0.66 -0.02 -0.92 -0.73 0.00 0.00 179.01 178.03 3kh1 h TYR 125 N 0.55 -0.05 -0.42 0.92 3.20 -0.71 -2.30 116.97 118.17 3kh1 h TYR 125 Ca 0.14 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 3kh1 h TYR 125 Cb 0.27 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3kh1 h TYR 125 CO 0.01 -0.05 0.11 0.93 -1.64 0.00 0.00 178.16 177.52 3kh1 h GLU 126 N 0.03 0.62 0.00 1.82 4.39 -0.87 -2.72 114.58 117.86 3kh1 h GLU 126 Ca 0.09 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 3kh1 h GLU 126 Cb 0.13 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3kh1 h GLU 126 CO -0.18 0.56 -0.33 0.00 -1.16 0.00 0.00 179.01 177.90 3kh1 h ALA 127 N 1.52 0.95 -6.55 3.43 0.00 -0.74 -3.47 119.26 114.39 3kh1 h ALA 127 Ca 0.14 -0.30 -0.52 0.00 0.00 0.00 0.00 54.91 54.24 3kh1 h ALA 127 Cb 0.21 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.83 3kh1 h ALA 127 CO -0.01 0.41 -0.83 2.89 0.00 0.00 0.00 179.25 181.72 3kh1 n ARG 128 N -3.41 -3.85 -0.13 0.00 1.85 -0.90 -4.87 116.66 105.35 3kh1 n ARG 128 Ca 0.00 0.44 -0.24 0.00 -1.00 0.00 0.00 57.85 57.05 3kh1 n ARG 128 Cb 0.52 -5.06 -0.10 0.00 -1.05 0.00 0.00 32.46 26.77 3kh1 n ARG 128 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3kh1 n GLU 129 N -4.46 0.57 -1.59 2.89 1.02 -1.26 -4.62 120.64 113.18 3kh1 n GLU 129 Ca -0.04 0.21 -0.30 0.00 -0.02 0.00 0.00 57.16 57.01 3kh1 n GLU 129 Cb 0.55 -1.44 0.09 0.00 -0.02 0.00 0.00 31.44 30.63 3kh1 n GLU 129 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3kh1 s THR 130 N -2.48 2.94 0.14 2.62 -4.23 -1.26 -4.79 115.64 108.58 3kh1 s THR 130 Ca -0.35 0.30 -0.18 0.00 -1.18 0.00 0.00 61.69 60.28 3kh1 s THR 130 Cb 0.12 -3.08 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 3kh1 s THR 130 CO 0.49 -0.40 1.75 0.00 -0.54 0.00 0.00 174.62 175.92 3kh1 h ALA 131 N -1.10 0.30 -0.51 3.99 0.00 -1.96 -0.67 119.26 119.32 3kh1 h ALA 131 Ca -0.47 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.48 3kh1 h ALA 131 Cb 1.28 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3kh1 h ALA 131 CO 0.60 -0.32 0.33 -0.44 0.00 0.00 0.00 179.25 179.42 3kh1 h ASP 132 N 0.20 0.57 -0.40 0.00 3.32 -1.92 -2.29 116.42 115.91 3kh1 h ASP 132 Ca 0.12 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3kh1 h ASP 132 Cb 0.10 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3kh1 h ASP 132 CO -0.13 0.41 -0.02 0.00 -1.72 0.00 0.00 179.24 177.77 3kh1 h ALA 133 N 1.19 1.07 -0.63 3.45 0.00 -1.78 -0.81 119.26 121.75 3kh1 h ALA 133 Ca 0.19 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3kh1 h ALA 133 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3kh1 h ALA 133 CO -0.05 0.58 0.06 0.00 0.00 0.00 0.00 179.25 179.84 3kh1 h ARG 134 N 0.74 1.08 -0.26 0.00 3.08 -0.93 0.40 114.38 118.49 3kh1 h ARG 134 Ca 0.14 -0.31 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 3kh1 h ARG 134 Cb 0.48 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3kh1 h ARG 134 CO 0.02 1.02 -0.36 0.35 -1.07 0.00 0.00 179.97 179.94 3kh1 h PHE 135 N 0.99 0.85 -0.30 3.04 3.57 -1.24 -0.98 116.94 122.87 3kh1 h PHE 135 Ca 0.19 -0.28 0.04 0.00 3.53 0.00 0.00 57.97 61.45 3kh1 h PHE 135 Cb 0.50 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 3kh1 h PHE 135 CO 0.04 1.04 0.07 0.00 -2.23 0.00 0.00 178.31 177.23 3kh1 h ALA 136 N 0.66 0.32 -0.55 2.41 0.00 -1.04 -2.08 119.26 118.99 3kh1 h ALA 136 Ca 0.03 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3kh1 h ALA 136 Cb 0.94 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3kh1 h ALA 136 CO 0.08 -0.34 0.02 0.22 0.00 0.00 0.00 179.25 179.24 3kh1 h ASP 137 N 0.18 0.89 -0.72 0.00 3.58 -0.84 -1.52 116.42 117.99 3kh1 h ASP 137 Ca 0.14 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.35 3kh1 h ASP 137 Cb 0.14 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 3kh1 h ASP 137 CO -0.17 0.93 0.38 0.00 -2.88 0.00 0.00 179.24 177.49 3kh1 h ALA 138 N 1.16 0.92 -0.46 -0.78 0.00 -0.84 -0.38 119.26 118.88 3kh1 h ALA 138 Ca 0.16 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3kh1 h ALA 138 Cb 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kh1 h ALA 138 CO 0.02 0.45 -0.15 -0.07 0.00 0.00 0.00 179.25 179.50 3kh1 h LEU 139 N 0.99 0.93 -1.34 0.00 3.38 -1.08 -0.45 115.31 117.73 3kh1 h LEU 139 Ca 0.25 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3kh1 h LEU 139 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3kh1 h LEU 139 CO -0.04 1.10 -0.03 -0.78 0.09 0.00 0.00 178.44 178.78 3kh1 h ASP 140 N 0.76 0.37 1.15 -0.43 3.58 -0.96 -2.29 116.42 118.60 3kh1 h ASP 140 Ca 0.11 -0.07 -0.16 0.00 0.42 0.00 0.00 57.03 57.34 3kh1 h ASP 140 Cb 0.71 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 3kh1 h ASP 140 CO 0.05 0.46 -0.88 0.03 -2.88 0.00 0.00 179.24 176.02 3kh1 h ARG 141 N 0.39 0.00 -0.20 0.28 2.47 -0.80 -3.34 114.38 113.17 3kh1 h ARG 141 Ca 0.08 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.67 3kh1 h ARG 141 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 3kh1 h ARG 141 CO 0.01 0.61 -0.39 1.25 0.56 0.00 0.00 179.97 182.01 3kh1 h LEU 142 N 0.00 0.69 -0.76 3.04 5.85 -0.70 -3.35 115.31 120.07 3kh1 h LEU 142 Ca -0.05 -0.55 0.06 0.00 0.84 0.00 0.00 57.88 58.18 3kh1 h LEU 142 Cb 1.58 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.35 3kh1 h LEU 142 CO 0.08 1.11 0.45 -0.61 -0.34 0.00 0.00 178.44 179.13 3kh1 h GLN 143 N 0.29 0.79 -0.02 1.25 -0.00 -1.55 -1.34 115.11 114.53 3kh1 h GLN 143 Ca 0.01 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.56 3kh1 h GLN 143 Cb 0.99 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 28.29 3kh1 h GLN 143 CO 0.09 0.52 -0.23 -1.35 0.00 0.00 0.00 178.83 177.86 3kh1 h PRO 144 N 0.81 0.04 -0.44 -2.39 0.11 -1.74 -1.25 132.00 127.14 3kh1 h PRO 144 Ca 0.34 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.42 3kh1 h PRO 144 Cb 0.20 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 3kh1 h PRO 144 CO -0.18 0.27 0.19 -0.07 -0.21 0.00 0.00 178.00 177.99 3kh1 h LEU 145 N 0.03 0.58 -0.57 2.35 3.38 -1.40 -0.00 115.31 119.68 3kh1 h LEU 145 Ca 0.00 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3kh1 h LEU 145 Cb 0.43 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3kh1 h LEU 145 CO 0.03 0.57 0.24 -0.07 0.09 0.00 0.00 178.44 179.30 3kh1 h LEU 146 N 0.56 0.27 -0.38 1.67 3.38 -0.74 -0.95 115.31 119.12 3kh1 h LEU 146 Ca 0.15 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 58.00 3kh1 h LEU 146 Cb 0.16 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kh1 h LEU 146 CO -0.02 0.18 -0.51 0.45 0.09 0.00 0.00 178.44 178.63 3kh1 h HIS 147 N 0.44 1.00 -0.31 1.13 3.86 -1.01 -2.15 115.15 118.12 3kh1 h HIS 147 Ca 0.28 -0.34 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 3kh1 h HIS 147 Cb 0.29 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 3kh1 h HIS 147 CO -0.14 1.15 -0.03 -0.91 0.86 0.00 0.00 177.93 178.86 3kh1 h ASN 148 N 0.63 0.46 -0.30 2.45 2.35 -0.75 -0.39 115.58 120.04 3kh1 h ASN 148 Ca 0.02 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3kh1 h ASN 148 Cb 1.10 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 3kh1 h ASN 148 CO 0.11 0.55 -0.02 0.15 -1.65 0.00 0.00 177.43 176.57 3kh1 h PHE 149 N 0.47 0.59 -0.36 1.19 3.57 -0.94 0.23 116.94 121.68 3kh1 h PHE 149 Ca 0.10 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3kh1 h PHE 149 Cb 0.35 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3kh1 h PHE 149 CO 0.01 0.69 0.05 0.93 -2.23 0.00 0.00 178.31 177.76 3kh1 h GLU 150 N 0.32 0.54 -0.56 1.11 4.39 -0.78 -2.65 114.58 116.94 3kh1 h GLU 150 Ca 0.08 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3kh1 h GLU 150 Cb 0.46 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3kh1 h GLU 150 CO 0.02 0.52 0.00 0.25 -1.16 0.00 0.00 179.01 178.64 3kh1 n THR 151 N -4.32 0.94 -3.63 1.13 -2.24 -0.21 -4.89 114.28 101.06 3kh1 n THR 151 Ca 0.02 -0.75 -0.24 0.00 -2.27 0.00 0.00 64.05 60.81 3kh1 n THR 151 Cb 0.21 0.22 0.07 0.00 -2.10 0.00 0.00 70.33 68.73 3kh1 n THR 151 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kh1 n GLU 152 N 0.92 -7.08 -2.54 -0.78 1.02 -0.84 -2.36 120.64 108.99 3kh1 n GLU 152 Ca 0.18 0.78 -0.05 0.00 -0.02 0.00 0.00 57.16 58.05 3kh1 n GLU 152 Cb 0.53 -5.77 0.01 0.00 -0.02 0.00 0.00 31.44 26.20 3kh1 n GLU 152 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kh1 n GLY 153 N -1.75 0.50 0.28 0.62 0.00 0.74 -4.68 105.19 100.90 3kh1 n GLY 153 Ca -0.07 -0.54 0.18 0.00 0.00 0.00 0.00 46.02 45.59 3kh1 n GLY 153 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kh1 h GLY 154 N -0.41 0.00 0.00 -0.02 0.00 -1.63 -1.49 103.07 99.52 3kh1 h GLY 154 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.96 3kh1 h GLY 154 CO 0.12 0.00 -1.96 2.41 0.00 0.00 0.00 176.54 177.11 3kh1 n THR 155 N -3.01 0.96 0.12 4.70 -1.04 -1.26 -4.62 114.28 110.14 3kh1 n THR 155 Ca -0.00 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.05 61.50 3kh1 n THR 155 Cb 0.24 -1.08 -0.06 0.00 -1.82 0.00 0.00 70.33 67.62 3kh1 n THR 155 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 3kh1 h TRP 156 N 0.00 -0.63 -0.23 -1.42 6.55 -1.84 -2.91 115.95 115.48 3kh1 h TRP 156 Ca -0.38 0.01 -0.08 0.00 0.95 0.00 0.00 58.89 59.40 3kh1 h TRP 156 Cb 1.59 0.26 -0.00 0.00 -0.86 0.00 0.00 29.16 30.15 3kh1 h TRP 156 CO 0.02 -0.34 -0.16 0.87 -1.05 0.00 0.00 178.44 177.78 3kh1 h LYS 157 N -0.45 0.51 0.00 0.49 1.57 -1.46 -0.42 116.57 116.81 3kh1 h LYS 157 Ca 0.02 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3kh1 h LYS 157 Cb 0.46 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3kh1 h LYS 157 CO -0.12 0.81 -0.11 -1.35 -0.57 0.00 0.00 179.45 178.10 3kh1 h PRO 158 N 0.21 0.00 -0.28 3.15 0.11 -1.76 -2.14 132.00 131.29 3kh1 h PRO 158 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3kh1 h PRO 158 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3kh1 h PRO 158 CO 0.04 0.11 0.00 0.72 -0.21 0.00 0.00 178.00 178.67 3kh1 n HIS 159 N -3.63 0.35 -2.21 0.65 8.25 -1.10 -4.96 115.22 112.58 3kh1 n HIS 159 Ca -0.02 -0.18 -0.12 0.00 -0.26 0.00 0.00 57.72 57.15 3kh1 n HIS 159 Cb 0.24 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.34 3kh1 n HIS 159 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kh1 n GLY 160 N 1.38 -0.10 3.74 -1.41 0.00 -0.61 -4.98 105.19 103.22 3kh1 n GLY 160 Ca 0.18 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3kh1 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kh1 s VAL 161 N -2.60 4.05 0.37 1.61 1.01 -0.27 -5.04 120.40 119.53 3kh1 s VAL 161 Ca 0.00 1.86 0.08 0.00 0.00 0.00 0.00 61.98 63.92 3kh1 s VAL 161 Cb 0.00 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 3kh1 s VAL 161 CO 0.00 0.36 0.07 0.42 0.00 0.00 0.00 175.10 175.95 3kh1 s THR 162 N -0.55 2.52 0.26 3.92 -4.23 -1.26 -3.82 115.64 112.48 3kh1 s THR 162 Ca 0.46 -1.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.06 3kh1 s THR 162 Cb -0.27 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 70.94 3kh1 s THR 162 CO 0.33 -0.13 1.85 -0.09 -0.54 0.00 0.00 174.62 176.05 3kh1 h ARG 163 N 1.68 0.98 -0.98 3.99 2.43 -0.73 -1.97 114.38 119.78 3kh1 h ARG 163 Ca -0.43 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 58.75 3kh1 h ARG 163 Cb 1.25 -0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.51 3kh1 h ARG 163 CO 0.69 0.65 0.63 0.00 -1.51 0.00 0.00 179.97 180.42 3kh1 h ALA 164 N 1.47 1.37 -0.48 2.80 0.00 -1.84 0.16 119.26 122.74 3kh1 h ALA 164 Ca 0.43 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 3kh1 h ALA 164 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kh1 h ALA 164 CO -0.21 0.39 -0.15 0.87 0.00 0.00 0.00 179.25 180.14 3kh1 h LYS 165 N 1.12 0.94 -0.41 0.00 1.57 -1.78 -2.75 116.57 115.27 3kh1 h LYS 165 Ca 0.43 -0.38 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3kh1 h LYS 165 Cb 0.21 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3kh1 h LYS 165 CO -0.19 1.04 -0.18 0.28 -0.57 0.00 0.00 179.45 179.84 3kh1 h VAL 166 N 0.79 1.27 0.00 0.50 2.07 -0.89 -2.79 116.25 117.20 3kh1 h VAL 166 Ca 0.12 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 3kh1 h VAL 166 Cb 0.71 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3kh1 h VAL 166 CO 0.05 0.43 -0.09 0.44 0.02 0.00 0.00 177.57 178.43 3kh1 h ASP 167 N 0.69 0.00 0.49 0.57 3.32 -0.52 -0.05 116.42 120.92 3kh1 h ASP 167 Ca 0.10 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3kh1 h ASP 167 Cb 0.68 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3kh1 h ASP 167 CO 0.05 0.09 -0.28 0.11 -1.72 0.00 0.00 179.24 177.49 3kh1 h LYS 168 N 0.00 0.00 0.00 3.56 6.56 -1.20 -3.24 116.57 122.25 3kh1 h LYS 168 Ca -0.00 0.00 -0.24 0.00 -1.06 0.00 0.00 60.65 59.35 3kh1 h LYS 168 Cb 0.19 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.81 3kh1 h LYS 168 CO 0.01 0.28 -1.55 -0.07 -2.06 0.00 0.00 179.45 176.05 3kh1 h LEU 169 N 0.00 0.00 -1.64 2.94 3.38 -1.09 -3.40 115.31 115.50 3kh1 h LEU 169 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3kh1 h LEU 169 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3kh1 h LEU 169 CO 0.04 0.82 0.30 -0.07 0.09 0.00 0.00 178.44 179.61 3kh1 h LEU 170 N 0.00 0.41 -2.41 1.67 3.38 -1.43 -1.15 115.31 115.78 3kh1 h LEU 170 Ca -0.22 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3kh1 h LEU 170 Cb 1.82 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 3kh1 h LEU 170 CO 0.07 0.28 -0.03 -0.65 0.09 0.00 0.00 178.44 178.20 3kh1 h PRO 171 N 0.47 0.00 -0.14 1.13 0.11 -1.77 -0.93 132.00 130.86 3kh1 h PRO 171 Ca 0.18 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.19 3kh1 h PRO 171 Cb 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3kh1 h PRO 171 CO -0.04 0.03 -0.36 0.00 -0.21 0.00 0.00 178.00 177.41 3kh1 h ARG 172 N 0.00 0.30 -0.06 1.05 3.08 -1.50 0.43 114.38 117.69 3kh1 h ARG 172 Ca -0.00 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3kh1 h ARG 172 Cb 0.17 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3kh1 h ARG 172 CO 0.00 0.63 -0.06 0.82 -1.07 0.00 0.00 179.97 180.29 3kh1 h ILE 173 N 0.26 1.38 -0.91 2.04 2.04 -1.28 -3.23 117.51 117.81 3kh1 h ILE 173 Ca 0.03 -1.23 0.11 0.00 1.00 0.00 0.00 64.86 64.77 3kh1 h ILE 173 Cb 0.76 2.07 -0.07 0.00 -0.74 0.00 0.00 36.82 38.84 3kh1 h ILE 173 CO 0.06 0.34 0.58 -0.08 0.00 0.00 0.00 178.15 179.05 3kh1 h GLU 174 N -0.30 0.83 0.00 2.37 4.57 -1.20 -0.73 114.58 120.11 3kh1 h GLU 174 Ca 0.01 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3kh1 h GLU 174 Cb 0.58 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3kh1 h GLU 174 CO 0.02 0.55 -0.08 0.00 -1.18 0.00 0.00 179.01 178.31 3kh1 h ALA 175 N 1.56 1.47 0.00 2.92 0.00 -0.93 -2.91 119.26 121.38 3kh1 h ALA 175 Ca 0.44 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.95 3kh1 h ALA 175 Cb 0.51 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3kh1 h ALA 175 CO -0.20 0.10 -2.01 0.41 0.00 0.00 0.00 179.25 177.55 3kh1 n GLY 176 N -1.01 -0.97 3.49 0.00 0.00 -0.40 -4.83 105.19 101.46 3kh1 n GLY 176 Ca -0.02 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.84 3kh1 n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kh1 s SER 177 N -5.89 -1.03 0.27 1.61 0.15 -0.52 -4.41 113.70 103.89 3kh1 s SER 177 Ca -0.08 1.22 -0.04 0.00 0.70 0.00 0.00 55.95 57.75 3kh1 s SER 177 Cb 0.07 2.09 0.33 0.00 -1.71 0.00 0.00 66.02 66.81 3kh1 s SER 177 CO 0.82 -0.20 1.92 0.11 1.20 0.00 0.00 173.24 177.10 3kh1 h LYS 178 N 7.89 1.19 -0.32 5.44 1.57 -1.82 0.31 116.57 130.83 3kh1 h LYS 178 Ca -0.18 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 3kh1 h LYS 178 Cb 1.12 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 3kh1 h LYS 178 CO 0.11 0.82 0.03 -0.09 -0.57 0.00 0.00 179.45 179.76 3kh1 h ARG 179 N 1.22 0.54 -0.20 3.15 9.65 -1.92 -0.75 114.38 126.06 3kh1 h ARG 179 Ca 0.32 -0.16 -0.11 0.00 -1.10 0.00 0.00 59.98 58.93 3kh1 h ARG 179 Cb -0.08 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 3kh1 h ARG 179 CO -0.06 0.65 -0.35 -0.07 2.80 0.00 0.00 179.97 182.94 3kh1 h LEU 180 N 0.36 0.44 -0.60 3.80 3.38 -1.86 -1.50 115.31 119.33 3kh1 h LEU 180 Ca 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3kh1 h LEU 180 Cb 0.38 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3kh1 h LEU 180 CO 0.01 0.76 0.32 1.23 0.09 0.00 0.00 178.44 180.85 3kh1 h GLY 181 N 1.09 0.91 1.02 0.83 0.00 -0.69 -0.23 103.07 106.01 3kh1 h GLY 181 Ca 0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3kh1 h GLY 181 CO 0.06 0.40 0.42 0.00 0.00 0.00 0.00 176.54 177.42 3kh1 h ALA 182 N 1.15 1.04 -0.08 3.60 0.00 -0.97 -0.41 119.26 123.60 3kh1 h ALA 182 Ca 0.21 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kh1 h ALA 182 Cb 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kh1 h ALA 182 CO -0.03 0.58 0.02 -0.92 0.00 0.00 0.00 179.25 178.90 3kh1 h TYR 183 N 1.14 0.04 -0.39 0.00 5.03 -0.99 -1.54 116.97 120.26 3kh1 h TYR 183 Ca 0.28 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.60 3kh1 h TYR 183 Cb 0.07 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 3kh1 h TYR 183 CO 0.01 0.02 0.25 0.00 -1.32 0.00 0.00 178.16 177.12 3kh1 h ALA 184 N 1.05 0.49 -0.84 1.82 0.00 -0.76 0.21 119.26 121.23 3kh1 h ALA 184 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kh1 h ALA 184 Cb 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3kh1 h ALA 184 CO -0.04 -0.06 0.56 0.00 0.00 0.00 0.00 179.25 179.71 3kh1 h ARG 185 N 0.51 1.09 -0.45 0.00 3.08 -0.93 -0.82 114.38 116.86 3kh1 h ARG 185 Ca 0.14 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 3kh1 h ARG 185 Cb -0.05 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.74 3kh1 h ARG 185 CO -0.04 0.72 -0.09 0.00 -1.07 0.00 0.00 179.97 179.49 3kh1 h ALA 186 N 1.32 0.98 -0.39 0.04 0.00 -0.82 -0.11 119.26 120.28 3kh1 h ALA 186 Ca 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3kh1 h ALA 186 Cb -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kh1 h ALA 186 CO -0.08 0.61 0.16 1.25 0.00 0.00 0.00 179.25 181.19 3kh1 h LEU 187 N 0.74 0.54 -0.58 0.00 5.85 -0.64 -1.64 115.31 119.58 3kh1 h LEU 187 Ca 0.13 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 3kh1 h LEU 187 Cb 0.58 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3kh1 h LEU 187 CO 0.04 0.56 -0.27 0.58 -0.34 0.00 0.00 178.44 179.01 3kh1 h VAL 188 N 0.49 1.27 -0.49 1.05 2.07 -0.94 0.17 116.25 119.88 3kh1 h VAL 188 Ca 0.13 -1.41 0.07 0.00 0.82 0.00 0.00 66.70 66.31 3kh1 h VAL 188 Cb 0.19 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 3kh1 h VAL 188 CO -0.01 0.47 0.14 0.44 0.02 0.00 0.00 177.57 178.64 3kh1 h ASP 189 N 0.72 0.11 -0.54 0.57 3.32 -0.81 -0.94 116.42 118.86 3kh1 h ASP 189 Ca 0.09 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 3kh1 h ASP 189 Cb 0.81 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3kh1 h ASP 189 CO 0.07 0.09 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.56 3kh1 h GLU 190 N 0.30 0.98 -1.00 3.56 4.57 -0.98 -2.11 114.58 119.89 3kh1 h GLU 190 Ca 0.24 -0.33 0.11 0.00 -1.18 0.00 0.00 59.36 58.19 3kh1 h GLU 190 Cb 0.28 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.71 3kh1 h GLU 190 CO -0.27 1.00 0.63 0.00 -1.18 0.00 0.00 179.01 179.20 3kh1 h ALA 191 N 0.94 1.48 -0.28 2.92 0.00 -0.30 -0.67 119.26 123.35 3kh1 h ALA 191 Ca 0.15 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3kh1 h ALA 191 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kh1 h ALA 191 CO 0.04 0.28 -0.07 0.28 0.00 0.00 0.00 179.25 179.77 3kh1 h VAL 192 N 1.04 1.28 -0.72 0.00 2.07 -0.93 -0.08 116.25 118.92 3kh1 h VAL 192 Ca 0.48 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.96 3kh1 h VAL 192 Cb 0.40 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 3kh1 h VAL 192 CO -0.24 0.35 0.47 0.03 0.02 0.00 0.00 177.57 178.20 3kh1 h ARG 193 N 0.30 0.69 -0.00 1.57 3.08 -0.75 -1.92 114.38 117.35 3kh1 h ARG 193 Ca 0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3kh1 h ARG 193 Cb 0.56 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3kh1 h ARG 193 CO 0.03 0.46 -0.11 0.54 -1.07 0.00 0.00 179.97 179.82 3kh1 n ARG 194 N -4.48 0.78 -1.02 0.04 1.74 -0.32 -4.93 116.66 108.47 3kh1 n ARG 194 Ca 0.11 -0.29 -0.01 0.00 -0.77 0.00 0.00 57.85 56.89 3kh1 n ARG 194 Cb 0.25 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.19 3kh1 n ARG 194 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kh1 n GLY 195 N 1.26 0.46 0.20 -0.13 0.00 -0.72 -4.94 105.19 101.32 3kh1 n GLY 195 Ca 0.15 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.43 3kh1 n GLY 195 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kh1 h TYR 196 N 0.00 0.00 -3.26 1.61 0.05 -1.27 -3.44 116.97 110.66 3kh1 h TYR 196 Ca -0.02 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.44 3kh1 h TYR 196 Cb 0.06 0.00 -0.37 0.00 1.01 0.00 0.00 36.73 37.43 3kh1 h TYR 196 CO 0.03 0.23 -0.70 -1.17 -1.05 0.00 0.00 178.16 175.50 3kh1 s LEU 197 N -6.45 0.24 0.34 3.88 2.96 -1.23 -4.16 118.68 114.27 3kh1 s LEU 197 Ca 0.04 0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 53.83 3kh1 s LEU 197 Cb 0.08 0.04 -0.11 0.00 0.50 0.00 0.00 46.19 46.69 3kh1 s LEU 197 CO 0.67 -0.22 1.52 0.00 -1.32 0.00 0.00 176.35 177.00 3kh1 n ALA 198 N 5.07 2.37 1.16 5.97 0.00 -1.25 -4.36 120.51 129.48 3kh1 n ALA 198 Ca -0.09 0.36 0.09 0.00 0.00 0.00 0.00 53.44 53.80 3kh1 n ALA 198 Cb 0.50 -2.43 0.55 0.00 0.00 0.00 0.00 19.45 18.07 3kh1 n ALA 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15