#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kh5 s ARG 4 N 0.00 4.31 0.42 5.55 0.52 -1.26 -0.46 118.95 128.02 3kh5 s ARG 4 Ca 0.00 2.18 0.11 0.00 -0.52 0.00 0.00 55.73 57.50 3kh5 s ARG 4 Cb 0.00 -3.18 0.94 0.00 0.52 0.00 0.00 34.95 33.24 3kh5 s ARG 4 CO 0.00 -0.41 1.99 -0.39 0.02 0.00 0.00 175.30 176.51 3kh5 h VAL 5 N 3.85 0.95 -0.34 3.52 -1.51 -1.25 -0.21 116.25 121.26 3kh5 h VAL 5 Ca -0.44 -0.17 0.10 0.00 -1.23 0.00 0.00 66.70 64.96 3kh5 h VAL 5 Cb 1.21 0.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 3kh5 h VAL 5 CO 0.82 0.09 0.31 0.24 -1.23 0.00 0.00 177.57 177.80 3kh5 h MET 6 N 0.50 0.00 -0.00 5.19 2.86 -1.82 0.14 114.93 121.81 3kh5 h MET 6 Ca 0.26 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.84 3kh5 h MET 6 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3kh5 h MET 6 CO -0.08 0.00 -0.30 0.87 1.06 0.00 0.00 176.91 178.47 3kh5 h LYS 7 N 0.00 0.00 0.03 1.72 6.56 -1.40 -2.99 116.57 120.49 3kh5 h LYS 7 Ca 0.16 -0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.42 3kh5 h LYS 7 Cb 0.78 -0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.39 3kh5 h LYS 7 CO -0.00 0.30 -1.94 -0.89 -2.06 0.00 0.00 179.45 174.85 3kh5 n ILE 8 N -4.19 1.60 -1.67 1.86 5.41 -0.23 -4.99 119.36 117.15 3kh5 n ILE 8 Ca -0.02 -0.76 -0.60 0.00 1.00 0.00 0.00 62.75 62.36 3kh5 n ILE 8 Cb 0.34 -1.10 -0.08 0.00 -0.71 0.00 0.00 39.64 38.09 3kh5 n ILE 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kh5 n ALA 9 N -2.73 -1.17 -1.62 -1.39 0.00 0.34 -4.70 120.51 109.24 3kh5 n ALA 9 Ca -0.25 0.47 -0.52 0.00 0.00 0.00 0.00 53.44 53.14 3kh5 n ALA 9 Cb 1.07 -2.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 3kh5 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kh5 n GLN 10 N 3.94 1.50 0.00 0.00 10.64 -1.26 -4.79 117.38 127.42 3kh5 n GLN 10 Ca 0.26 0.51 0.09 0.00 -1.83 0.00 0.00 57.00 56.03 3kh5 n GLN 10 Cb 0.07 -2.43 0.46 0.00 -0.86 0.00 0.00 30.24 27.49 3kh5 n GLN 10 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 3kh5 n ASN 11 N 7.35 0.00 -4.67 2.61 6.94 -1.26 -4.76 115.26 121.47 3kh5 n ASN 11 Ca 0.30 -0.12 -0.30 0.00 -0.02 0.00 0.00 54.58 54.44 3kh5 n ASN 11 Cb 0.22 -0.21 0.16 0.00 -2.36 0.00 0.00 39.78 37.60 3kh5 n ASN 11 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3kh5 s LYS 12 N -2.42 0.81 0.31 -3.83 2.20 -1.26 -5.01 119.74 110.54 3kh5 s LYS 12 Ca 0.19 0.89 -0.29 0.00 -0.36 0.00 0.00 55.97 56.41 3kh5 s LYS 12 Cb 0.12 -1.75 -0.10 0.00 -1.51 0.00 0.00 37.83 34.59 3kh5 s LYS 12 CO 0.25 -2.57 1.27 -1.59 -0.36 0.00 0.00 175.35 172.35 3kh5 s LYS 13 N -4.82 4.41 -0.13 4.03 0.00 -1.26 -5.00 119.74 116.97 3kh5 s LYS 13 Ca 0.65 2.14 -0.23 0.00 0.00 0.00 0.00 55.97 58.53 3kh5 s LYS 13 Cb -0.20 -3.10 -0.03 0.00 0.00 0.00 0.00 37.83 34.50 3kh5 s LYS 13 CO 0.58 -0.13 0.68 0.42 0.00 0.00 0.00 175.35 176.91 3kh5 s ILE 14 N -1.05 5.02 -0.08 3.79 -1.09 -1.26 -5.02 121.20 121.52 3kh5 s ILE 14 Ca 0.49 1.36 -0.30 0.00 -2.23 0.00 0.00 60.65 59.97 3kh5 s ILE 14 Cb -0.38 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.45 3kh5 s ILE 14 CO 0.50 0.18 1.33 -0.69 -1.23 0.00 0.00 174.94 175.02 3kh5 s VAL 15 N 1.36 4.04 0.24 2.92 1.01 -1.26 -5.02 120.40 123.70 3kh5 s VAL 15 Ca 0.34 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.70 3kh5 s VAL 15 Cb -0.17 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 3kh5 s VAL 15 CO 0.14 -0.05 0.01 0.42 0.00 0.00 0.00 175.10 175.61 3kh5 s THR 16 N 2.90 1.04 0.40 3.92 -4.23 -1.26 -4.24 115.64 114.17 3kh5 s THR 16 Ca 0.60 -2.03 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 3kh5 s THR 16 Cb -0.26 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 3kh5 s THR 16 CO 0.21 -0.27 0.06 0.68 -0.54 0.00 0.00 174.62 174.76 3kh5 s VAL 17 N -3.41 1.14 0.29 2.29 -7.23 -0.87 -5.01 120.40 107.59 3kh5 s VAL 17 Ca 0.30 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.55 3kh5 s VAL 17 Cb 0.06 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 3kh5 s VAL 17 CO 0.10 0.00 0.15 -0.31 -0.31 0.00 0.00 175.10 174.73 3kh5 s TYR 18 N -3.09 2.88 0.52 2.82 2.02 -1.26 -1.35 117.35 119.89 3kh5 s TYR 18 Ca 0.26 -0.23 0.19 0.00 -0.37 0.00 0.00 57.07 56.91 3kh5 s TYR 18 Cb 0.06 -1.47 1.32 0.00 -0.40 0.00 0.00 41.96 41.46 3kh5 s TYR 18 CO 0.13 0.45 2.11 -1.35 -1.57 0.00 0.00 175.55 175.32 3kh5 h PRO 19 N 1.56 0.00 -0.01 -1.71 0.11 -1.93 -1.76 132.00 128.26 3kh5 h PRO 19 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kh5 h PRO 19 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kh5 h PRO 19 CO 0.61 0.00 -0.27 0.25 -0.21 0.00 0.00 178.00 178.37 3kh5 n THR 20 N -4.48 0.00 -1.77 -1.15 -2.24 -1.26 -2.06 114.28 101.32 3kh5 n THR 20 Ca 0.00 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3kh5 n THR 20 Cb 0.22 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 69.02 3kh5 n THR 20 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kh5 s THR 21 N -2.45 2.11 0.68 4.28 2.01 -0.66 -4.70 115.64 116.90 3kh5 s THR 21 Ca 0.24 0.08 -0.15 0.00 0.31 0.00 0.00 61.69 62.17 3kh5 s THR 21 Cb 0.19 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.66 3kh5 s THR 21 CO 0.51 0.01 1.14 0.42 -0.69 0.00 0.00 174.62 176.02 3kh5 s THR 22 N 0.70 2.90 0.22 -0.82 -4.23 -1.26 0.57 115.64 113.72 3kh5 s THR 22 Ca 0.70 0.44 -0.08 0.00 -1.18 0.00 0.00 61.69 61.56 3kh5 s THR 22 Cb -0.48 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.57 3kh5 s THR 22 CO 0.38 -0.25 1.71 0.40 -0.54 0.00 0.00 174.62 176.32 3kh5 h ILE 23 N -0.03 0.62 -0.23 2.99 2.04 -0.85 -0.48 117.51 121.57 3kh5 h ILE 23 Ca -0.47 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.34 3kh5 h ILE 23 Cb 1.26 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 3kh5 h ILE 23 CO 0.53 0.05 -0.12 -0.09 0.00 0.00 0.00 178.15 178.52 3kh5 h ARG 24 N 0.29 -0.10 -0.47 2.37 2.43 -1.18 -0.12 114.38 117.60 3kh5 h ARG 24 Ca 0.35 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.46 3kh5 h ARG 24 Cb 0.54 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3kh5 h ARG 24 CO -0.42 -0.07 0.03 -0.22 -1.51 0.00 0.00 179.97 177.78 3kh5 h LYS 25 N -0.10 0.77 -0.62 0.20 1.63 -1.71 -1.77 116.57 114.96 3kh5 h LYS 25 Ca 0.13 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 3kh5 h LYS 25 Cb 0.29 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 3kh5 h LYS 25 CO -0.30 0.76 0.34 0.00 -3.45 0.00 0.00 179.45 176.81 3kh5 h ALA 26 N 1.30 0.80 -0.51 5.00 0.00 -0.62 -0.61 119.26 124.62 3kh5 h ALA 26 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kh5 h ALA 26 Cb 0.41 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3kh5 h ALA 26 CO 0.01 0.32 0.33 -0.07 0.00 0.00 0.00 179.25 179.84 3kh5 h LEU 27 N 0.85 0.59 -0.62 0.00 3.38 -0.58 -0.14 115.31 118.80 3kh5 h LEU 27 Ca 0.22 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3kh5 h LEU 27 Cb 0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3kh5 h LEU 27 CO -0.04 0.44 0.25 0.24 0.09 0.00 0.00 178.44 179.43 3kh5 h MET 28 N 0.69 0.92 -0.34 1.13 2.86 -1.15 0.51 114.93 119.55 3kh5 h MET 28 Ca 0.19 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 3kh5 h MET 28 Cb -0.06 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.41 3kh5 h MET 28 CO -0.04 0.78 0.09 1.15 1.06 0.00 0.00 176.91 179.95 3kh5 h THR 29 N 0.86 0.87 0.41 2.22 2.02 -0.81 0.14 112.91 118.61 3kh5 h THR 29 Ca 0.21 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 3kh5 h THR 29 Cb 0.20 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3kh5 h THR 29 CO -0.02 0.04 -0.32 0.24 0.37 0.00 0.00 175.52 175.83 3kh5 h MET 30 N 0.22 -0.70 -0.67 6.66 2.07 -0.50 -1.75 114.93 120.26 3kh5 h MET 30 Ca 0.16 0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.79 3kh5 h MET 30 Cb 0.16 0.16 -0.03 0.00 -1.87 0.00 0.00 31.60 30.01 3kh5 h MET 30 CO -0.19 -0.46 0.26 -0.91 1.07 0.00 0.00 176.91 176.68 3kh5 h ASN 31 N -0.72 0.92 0.35 1.22 4.21 -0.76 -2.04 115.58 118.75 3kh5 h ASN 31 Ca -0.04 -0.14 -0.02 0.00 1.21 0.00 0.00 56.30 57.32 3kh5 h ASN 31 Cb 0.62 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 3kh5 h ASN 31 CO -0.01 0.83 -0.17 -0.33 -1.29 0.00 0.00 177.43 176.46 3kh5 h GLU 32 N 0.97 -0.45 0.00 0.81 5.08 -0.65 -3.28 114.58 117.06 3kh5 h GLU 32 Ca 0.23 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3kh5 h GLU 32 Cb 0.21 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3kh5 h GLU 32 CO -0.02 -0.17 0.00 0.09 -1.00 0.00 0.00 179.01 177.91 3kh5 n ASN 33 N -5.10 0.00 0.00 1.42 3.02 -0.67 -4.87 115.26 109.07 3kh5 n ASN 33 Ca -0.08 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 3kh5 n ASN 33 Cb 0.25 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 3kh5 n ASN 33 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3kh5 n LYS 34 N -1.38 -0.25 -2.99 3.52 4.81 -0.77 -4.97 118.16 116.12 3kh5 n LYS 34 Ca 0.08 0.06 -0.42 0.00 -0.87 0.00 0.00 58.31 57.17 3kh5 n LYS 34 Cb 0.20 -3.80 -0.05 0.00 0.02 0.00 0.00 35.03 31.40 3kh5 n LYS 34 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3kh5 s TYR 35 N -2.03 3.23 -0.97 5.64 2.02 -1.19 -4.94 117.35 119.10 3kh5 s TYR 35 Ca 0.00 0.80 0.15 0.00 -0.37 0.00 0.00 57.07 57.65 3kh5 s TYR 35 Cb 0.00 -3.11 0.66 0.00 -0.40 0.00 0.00 41.96 39.12 3kh5 s TYR 35 CO 0.00 -0.50 1.55 0.54 -1.57 0.00 0.00 175.55 175.57 3kh5 n ARG 36 N 6.06 3.69 -3.59 -0.62 3.00 -1.26 -4.38 116.66 119.56 3kh5 n ARG 36 Ca 0.02 -2.59 -0.25 0.00 -0.01 0.00 0.00 57.85 55.02 3kh5 n ARG 36 Cb 0.48 -1.92 -0.16 0.00 0.00 0.00 0.00 32.46 30.86 3kh5 n ARG 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3kh5 s ARG 37 N -2.01 0.08 -0.27 5.56 3.52 -1.26 -2.82 118.95 121.75 3kh5 s ARG 37 Ca 0.46 -0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.99 3kh5 s ARG 37 Cb 0.31 -1.71 0.05 0.00 -1.56 0.00 0.00 34.95 32.04 3kh5 s ARG 37 CO 0.20 -0.69 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.41 3kh5 s LEU 38 N 2.16 3.52 0.37 -0.88 1.43 0.28 -4.98 118.68 120.58 3kh5 s LEU 38 Ca 0.03 -1.30 -0.28 0.00 -1.03 0.00 0.00 54.13 51.55 3kh5 s LEU 38 Cb -0.16 -1.60 -0.11 0.00 0.03 0.00 0.00 46.19 44.34 3kh5 s LEU 38 CO -0.11 -0.20 1.45 -2.65 0.23 0.00 0.00 176.35 175.07 3kh5 n PRO 39 N 4.51 2.57 -3.81 1.29 -0.02 -1.26 -0.90 135.00 137.39 3kh5 n PRO 39 Ca -0.14 0.90 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 3kh5 n PRO 39 Cb 0.43 -2.61 -0.11 0.00 -0.02 0.00 0.00 33.50 31.19 3kh5 n PRO 39 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kh5 s VAL 40 N -1.08 4.68 0.16 -1.45 1.01 0.68 -2.05 120.40 122.34 3kh5 s VAL 40 Ca 0.54 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.54 3kh5 s VAL 40 Cb -0.49 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3kh5 s VAL 40 CO 0.63 0.36 -0.17 0.68 0.00 0.00 0.00 175.10 176.61 3kh5 s VAL 41 N 1.23 1.67 0.49 2.92 -7.23 -0.46 -0.74 120.40 118.29 3kh5 s VAL 41 Ca 0.05 -1.89 -0.22 0.00 -1.81 0.00 0.00 61.98 58.11 3kh5 s VAL 41 Cb -0.14 -1.78 -0.07 0.00 0.56 0.00 0.00 36.38 34.95 3kh5 s VAL 41 CO 0.04 -0.38 1.16 0.20 -0.31 0.00 0.00 175.10 175.82 3kh5 s ASN 42 N -2.68 5.98 0.14 4.85 0.02 -0.68 -4.12 114.94 118.45 3kh5 s ASN 42 Ca 0.14 2.28 -0.03 0.00 -1.02 0.00 0.00 52.86 54.23 3kh5 s ASN 42 Cb -0.05 -2.60 -0.06 0.00 0.02 0.00 0.00 41.25 38.57 3kh5 s ASN 42 CO 0.06 -1.05 1.33 0.00 0.02 0.00 0.00 177.10 177.46 3kh5 h ALA 43 N 1.73 0.42 0.00 0.60 0.00 -1.95 -2.30 119.26 117.75 3kh5 h ALA 43 Ca -0.50 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.72 3kh5 h ALA 43 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3kh5 h ALA 43 CO 0.59 0.82 0.00 0.41 0.00 0.00 0.00 179.25 181.07 3kh5 n GLY 44 N 0.87 0.41 0.66 0.00 0.00 -1.26 -4.69 105.19 101.19 3kh5 n GLY 44 Ca -0.06 -1.79 0.06 0.00 0.00 0.00 0.00 46.02 44.23 3kh5 n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kh5 n ASN 45 N 0.00 2.88 -1.10 1.61 2.04 -1.25 -4.99 115.26 114.45 3kh5 n ASN 45 Ca 0.00 -1.94 -0.14 0.00 -0.44 0.00 0.00 54.58 52.06 3kh5 n ASN 45 Cb 0.00 -0.22 -0.06 0.00 -2.53 0.00 0.00 39.78 36.97 3kh5 n ASN 45 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 3kh5 n ASN 46 N 0.60 -4.84 -4.74 0.53 5.15 -0.87 -4.82 115.26 106.27 3kh5 n ASN 46 Ca 0.12 0.36 -0.41 0.00 -0.60 0.00 0.00 54.58 54.05 3kh5 n ASN 46 Cb 0.42 -3.61 -0.04 0.00 -0.53 0.00 0.00 39.78 36.02 3kh5 n ASN 46 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kh5 s LYS 47 N -3.19 4.60 -0.20 1.20 1.02 -1.26 -0.98 119.74 120.94 3kh5 s LYS 47 Ca 0.00 1.74 -0.29 0.00 0.02 0.00 0.00 55.97 57.44 3kh5 s LYS 47 Cb 0.00 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 3kh5 s LYS 47 CO 0.00 0.11 1.51 0.08 -0.92 0.00 0.00 175.35 176.12 3kh5 s VAL 48 N -0.46 3.85 -0.29 3.17 1.01 -0.40 -1.68 120.40 125.60 3kh5 s VAL 48 Ca 0.48 0.99 0.03 0.00 0.00 0.00 0.00 61.98 63.48 3kh5 s VAL 48 Cb -0.30 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3kh5 s VAL 48 CO 0.36 -0.26 0.39 1.33 0.00 0.00 0.00 175.10 176.92 3kh5 n VAL 49 N 6.04 0.00 -3.97 2.92 0.24 0.08 -4.98 118.33 118.66 3kh5 n VAL 49 Ca 0.17 -0.47 0.02 0.00 -2.04 0.00 0.00 64.34 62.02 3kh5 n VAL 49 Cb 0.45 1.04 0.01 0.00 -1.47 0.00 0.00 33.84 33.87 3kh5 n VAL 49 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3kh5 s GLY 50 N -0.73 -0.11 -0.10 7.63 0.00 -0.93 -4.62 107.32 108.46 3kh5 s GLY 50 Ca 0.03 0.01 -0.17 0.00 0.00 0.00 0.00 44.72 44.59 3kh5 s GLY 50 CO 0.08 5.13 0.43 -1.50 0.00 0.00 0.00 173.10 177.24 3kh5 s ILE 51 N -2.05 0.02 -0.04 0.90 2.07 -0.47 -0.23 121.20 121.40 3kh5 s ILE 51 Ca 0.28 -0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 3kh5 s ILE 51 Cb -0.01 -0.67 0.03 0.00 0.13 0.00 0.00 42.46 41.95 3kh5 s ILE 51 CO -0.00 -0.09 0.00 -0.51 -1.91 0.00 0.00 174.94 172.44 3kh5 s ILE 52 N -0.45 0.19 0.46 2.00 1.10 -0.07 -1.18 121.20 123.25 3kh5 s ILE 52 Ca -0.06 0.11 0.03 0.00 -0.51 0.00 0.00 60.65 60.22 3kh5 s ILE 52 Cb -0.03 -0.31 -0.02 0.00 0.15 0.00 0.00 42.46 42.25 3kh5 s ILE 52 CO 0.03 0.17 0.05 0.42 -2.11 0.00 0.00 174.94 173.50 3kh5 s THR 53 N 1.23 0.99 0.46 4.00 -4.23 -1.26 -0.55 115.64 116.28 3kh5 s THR 53 Ca -0.07 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.67 3kh5 s THR 53 Cb -0.13 -2.30 0.27 0.00 1.34 0.00 0.00 72.50 71.67 3kh5 s THR 53 CO -0.02 0.00 2.08 0.77 -0.54 0.00 0.00 174.62 176.91 3kh5 h SER 54 N 1.57 0.00 -0.33 3.99 4.64 -1.91 -2.23 113.55 119.27 3kh5 h SER 54 Ca -0.40 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.82 3kh5 h SER 54 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 3kh5 h SER 54 CO 0.68 0.12 -0.12 0.24 -0.87 0.00 0.00 176.83 176.87 3kh5 h MET 55 N 0.00 0.77 -0.43 4.77 2.86 -1.91 -0.02 114.93 120.98 3kh5 h MET 55 Ca -0.00 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.33 3kh5 h MET 55 Cb 0.26 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3kh5 h MET 55 CO 0.02 0.86 0.07 -0.44 1.06 0.00 0.00 176.91 178.48 3kh5 h ASP 56 N 0.70 0.61 -0.35 1.22 3.32 -1.78 -0.60 116.42 119.54 3kh5 h ASP 56 Ca 0.12 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 3kh5 h ASP 56 Cb 0.60 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3kh5 h ASP 56 CO 0.04 0.64 -0.31 0.40 -1.72 0.00 0.00 179.24 178.29 3kh5 h ILE 57 N 0.64 1.28 -0.68 0.35 1.08 -1.31 -1.12 117.51 117.75 3kh5 h ILE 57 Ca 0.14 -1.48 -0.02 0.00 -0.39 0.00 0.00 64.86 63.11 3kh5 h ILE 57 Cb 0.29 1.43 -0.03 0.00 -3.07 0.00 0.00 36.82 35.44 3kh5 h ILE 57 CO 0.00 0.49 0.34 0.58 -0.69 0.00 0.00 178.15 178.87 3kh5 h VAL 58 N 0.63 1.22 0.68 1.67 2.07 -0.70 0.27 116.25 122.08 3kh5 h VAL 58 Ca 0.06 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3kh5 h VAL 58 Cb 0.89 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3kh5 h VAL 58 CO 0.08 0.25 -0.35 -0.78 0.02 0.00 0.00 177.57 176.79 3kh5 h ASP 59 N 0.96 -0.85 -0.92 0.57 1.82 -0.99 -0.97 116.42 116.03 3kh5 h ASP 59 Ca 0.24 0.04 0.20 0.00 -0.39 0.00 0.00 57.03 57.11 3kh5 h ASP 59 Cb 0.08 0.23 -0.11 0.00 0.68 0.00 0.00 39.33 40.21 3kh5 h ASP 59 CO -0.03 -0.58 0.49 0.15 -1.61 0.00 0.00 179.24 177.65 3kh5 h PHE 60 N -0.95 0.84 0.00 0.28 3.57 -0.96 -1.57 116.94 118.15 3kh5 h PHE 60 Ca -0.09 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3kh5 h PHE 60 Cb 0.74 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.25 3kh5 h PHE 60 CO -0.05 0.10 0.00 -1.33 -2.23 0.00 0.00 178.31 174.80 3kh5 n MET 61 N -4.91 0.20 0.00 1.11 2.81 0.06 -3.66 117.12 112.74 3kh5 n MET 61 Ca 0.22 0.44 0.00 0.00 -1.81 0.00 0.00 57.70 56.55 3kh5 n MET 61 Cb 0.59 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3kh5 n MET 61 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kh5 n GLY 62 N -0.07 0.68 0.27 3.03 0.00 -0.66 -4.99 105.19 103.45 3kh5 n GLY 62 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 3kh5 n GLY 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kh5 h GLY 63 N 0.00 0.00 0.00 -0.02 0.00 -0.62 -3.43 103.07 99.00 3kh5 h GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kh5 h GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3kh5 n GLY 64 N -0.64 3.55 0.24 4.60 0.00 -0.82 -4.15 105.19 107.97 3kh5 n GLY 64 Ca -0.02 -0.78 0.10 0.00 0.00 0.00 0.00 46.02 45.32 3kh5 n GLY 64 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3kh5 h SER 65 N 0.00 0.00 0.71 1.61 0.87 -1.91 -2.23 113.55 112.59 3kh5 h SER 65 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3kh5 h SER 65 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3kh5 h SER 65 CO 0.00 0.18 0.00 0.11 -0.53 0.00 0.00 176.83 176.59 3kh5 h LYS 66 N 0.00 0.00 0.00 2.24 1.57 -1.91 -2.68 116.57 115.78 3kh5 h LYS 66 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kh5 h LYS 66 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3kh5 h LYS 66 CO 0.02 0.00 -0.01 -0.92 -0.57 0.00 0.00 179.45 177.98 3kh5 h TYR 67 N 0.00 0.00 0.00 -1.35 3.20 -1.35 -2.54 116.97 114.93 3kh5 h TYR 67 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3kh5 h TYR 67 Cb 0.36 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3kh5 h TYR 67 CO 0.00 0.01 0.00 0.09 -1.64 0.00 0.00 178.16 176.62 3kh5 n ASN 68 N -3.72 0.00 -0.15 -2.11 4.13 -1.01 -1.58 115.26 110.81 3kh5 n ASN 68 Ca -0.03 0.39 -0.10 0.00 1.68 0.00 0.00 54.58 56.52 3kh5 n ASN 68 Cb 0.09 -0.44 -0.01 0.00 -1.54 0.00 0.00 39.78 37.88 3kh5 n ASN 68 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3kh5 h LEU 69 N 0.00 0.76 0.45 3.41 5.85 -1.69 -2.29 115.31 121.80 3kh5 h LEU 69 Ca 0.00 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 3kh5 h LEU 69 Cb 0.24 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3kh5 h LEU 69 CO 0.00 0.87 -0.22 0.40 -0.34 0.00 0.00 178.44 179.15 3kh5 h ILE 70 N 0.62 0.00 -0.50 4.05 2.04 -1.49 -2.88 117.51 119.35 3kh5 h ILE 70 Ca 0.13 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 3kh5 h ILE 70 Cb 0.47 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3kh5 h ILE 70 CO 0.02 0.00 0.08 -0.09 0.00 0.00 0.00 178.15 178.16 3kh5 h ARG 71 N -0.92 0.78 0.00 2.37 2.43 -1.48 0.10 114.38 117.66 3kh5 h ARG 71 Ca -0.06 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 58.91 3kh5 h ARG 71 Cb 0.47 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3kh5 h ARG 71 CO 0.10 0.74 -1.05 0.39 -1.51 0.00 0.00 179.97 178.64 3kh5 n GLU 72 N -4.26 0.53 -0.11 0.20 -0.58 -0.86 -3.56 120.64 111.99 3kh5 n GLU 72 Ca 0.03 0.22 -0.10 0.00 -0.42 0.00 0.00 57.16 56.89 3kh5 n GLU 72 Cb 0.25 -1.44 -0.02 0.00 -0.57 0.00 0.00 31.44 29.65 3kh5 n GLU 72 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3kh5 h LYS 73 N -1.00 0.54 -0.35 3.49 3.64 -1.58 -3.19 116.57 118.12 3kh5 h LYS 73 Ca -0.03 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3kh5 h LYS 73 Cb 1.01 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3kh5 h LYS 73 CO -0.02 0.62 0.00 0.72 -2.27 0.00 0.00 179.45 178.50 3kh5 n HIS 74 N -4.61 1.07 -4.18 1.91 8.25 -1.09 -4.96 115.22 111.60 3kh5 n HIS 74 Ca -0.02 -0.78 -0.35 0.00 -0.26 0.00 0.00 57.72 56.32 3kh5 n HIS 74 Cb 0.21 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 3kh5 n HIS 74 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3kh5 n GLU 75 N -0.06 -3.16 -0.65 -0.41 1.02 -0.84 -0.08 120.64 116.45 3kh5 n GLU 75 Ca 0.21 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 3kh5 n GLU 75 Cb 0.86 -4.98 0.00 0.00 -0.02 0.00 0.00 31.44 27.30 3kh5 n GLU 75 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3kh5 n ARG 76 N -4.40 0.00 -2.81 3.49 1.74 0.29 -4.96 116.66 110.02 3kh5 n ARG 76 Ca 0.01 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.66 3kh5 n ARG 76 Cb 0.53 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 3kh5 n ARG 76 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3kh5 s ASN 77 N -2.68 6.35 0.20 0.55 3.84 0.88 -4.83 114.94 119.25 3kh5 s ASN 77 Ca 0.00 -1.30 -0.10 0.00 0.21 0.00 0.00 52.86 51.67 3kh5 s ASN 77 Cb 0.00 -2.45 0.12 0.00 -0.55 0.00 0.00 41.25 38.38 3kh5 s ASN 77 CO 0.00 -1.38 1.77 0.15 -2.79 0.00 0.00 177.10 174.85 3kh5 h PHE 78 N 9.43 1.05 -0.61 0.43 3.57 -1.90 -0.44 116.94 128.47 3kh5 h PHE 78 Ca -0.10 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.27 3kh5 h PHE 78 Cb 1.05 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 3kh5 h PHE 78 CO 1.08 0.79 0.11 -0.07 -2.23 0.00 0.00 178.31 178.00 3kh5 h LEU 79 N 1.01 0.94 -0.28 0.59 4.07 -1.92 -1.33 115.31 118.39 3kh5 h LEU 79 Ca 0.24 -0.20 -0.14 0.00 0.08 0.00 0.00 57.88 57.86 3kh5 h LEU 79 Cb 0.16 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.65 3kh5 h LEU 79 CO -0.03 0.93 -0.38 0.00 -1.08 0.00 0.00 178.44 177.88 3kh5 h ALA 80 N 1.18 0.42 -0.49 1.53 0.00 -1.91 -3.29 119.26 116.70 3kh5 h ALA 80 Ca 0.19 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kh5 h ALA 80 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kh5 h ALA 80 CO 0.01 0.51 0.29 0.00 0.00 0.00 0.00 179.25 180.05 3kh5 h ALA 81 N 0.68 1.58 0.00 0.00 0.00 -0.76 -1.43 119.26 119.34 3kh5 h ALA 81 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kh5 h ALA 81 Cb 0.97 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3kh5 h ALA 81 CO 0.09 0.36 0.00 0.44 0.00 0.00 0.00 179.25 180.14 3kh5 n ILE 82 N -4.43 0.32 1.05 0.00 -5.35 -0.53 -1.80 119.36 108.62 3kh5 n ILE 82 Ca 0.04 0.08 0.14 0.00 -0.27 0.00 0.00 62.75 62.74 3kh5 n ILE 82 Cb 0.08 -0.73 0.55 0.00 -1.74 0.00 0.00 39.64 37.80 3kh5 n ILE 82 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3kh5 n ASN 83 N -1.26 0.13 -4.76 7.28 3.02 -0.54 -0.68 115.26 118.46 3kh5 n ASN 83 Ca 0.11 0.24 -0.38 0.00 -0.03 0.00 0.00 54.58 54.52 3kh5 n ASN 83 Cb 0.16 -0.31 0.02 0.00 -0.61 0.00 0.00 39.78 39.04 3kh5 n ASN 83 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kh5 s GLU 84 N -2.94 3.38 0.48 3.52 0.41 -0.75 -4.74 118.70 118.06 3kh5 s GLU 84 Ca 0.15 2.09 -0.24 0.00 -0.41 0.00 0.00 54.97 56.57 3kh5 s GLU 84 Cb 0.19 -2.34 -0.07 0.00 -1.78 0.00 0.00 34.13 30.13 3kh5 s GLU 84 CO 0.56 -0.95 1.33 -1.25 -0.49 0.00 0.00 175.26 174.46 3kh5 s PRO 85 N -2.80 3.55 0.62 0.39 0.04 -1.26 -0.89 135.00 134.65 3kh5 s PRO 85 Ca 0.68 2.19 0.33 0.00 0.04 0.00 0.00 61.00 64.24 3kh5 s PRO 85 Cb -0.37 -2.48 1.90 0.00 0.04 0.00 0.00 34.50 33.59 3kh5 s PRO 85 CO 0.44 -0.85 2.18 -0.24 0.04 0.00 0.00 177.00 178.58 3kh5 h VAL 86 N 1.94 0.29 -0.06 -0.36 3.04 0.20 -0.97 116.25 120.33 3kh5 h VAL 86 Ca -0.50 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.21 3kh5 h VAL 86 Cb 1.27 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 31.44 3kh5 h VAL 86 CO 0.60 0.00 0.09 0.08 -1.01 0.00 0.00 177.57 177.33 3kh5 h ARG 87 N 0.00 0.00 0.00 4.17 0.11 -1.66 -0.65 114.38 116.35 3kh5 h ARG 87 Ca 0.03 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.07 3kh5 h ARG 87 Cb 0.28 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 3kh5 h ARG 87 CO -0.00 0.00 -0.21 0.93 0.10 0.00 0.00 179.97 180.79 3kh5 h GLU 88 N 0.00 0.00 0.00 0.08 4.39 -1.47 -3.33 114.58 114.25 3kh5 h GLU 88 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3kh5 h GLU 88 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3kh5 h GLU 88 CO -0.00 0.21 0.00 0.44 -1.16 0.00 0.00 179.01 178.50 3kh5 n ILE 89 N -3.77 0.00 -1.94 3.13 -5.35 -0.47 -5.07 119.36 105.88 3kh5 n ILE 89 Ca -0.02 -0.33 -0.33 0.00 -0.27 0.00 0.00 62.75 61.81 3kh5 n ILE 89 Cb 0.32 1.30 0.03 0.00 -1.74 0.00 0.00 39.64 39.55 3kh5 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kh5 s MET 90 N -0.08 3.08 -0.02 6.28 0.23 -0.38 -4.96 119.30 123.46 3kh5 s MET 90 Ca 0.00 1.35 -0.29 0.00 -1.03 0.00 0.00 55.69 55.72 3kh5 s MET 90 Cb 0.00 -1.99 -0.03 0.00 -1.53 0.00 0.00 34.83 31.28 3kh5 s MET 90 CO 0.00 -1.02 0.95 -1.21 -2.03 0.00 0.00 175.02 171.71 3kh5 s GLU 91 N -3.96 4.54 0.51 3.16 0.41 -0.33 -4.90 118.70 118.13 3kh5 s GLU 91 Ca 0.66 1.36 0.08 0.00 -0.41 0.00 0.00 54.97 56.67 3kh5 s GLU 91 Cb -0.19 -3.47 0.08 0.00 -1.78 0.00 0.00 34.13 28.77 3kh5 s GLU 91 CO 0.37 -0.06 0.68 0.39 -0.49 0.00 0.00 175.26 176.15 3kh5 n GLU 92 N 3.98 0.66 -3.48 1.61 1.02 -1.26 -1.37 120.64 121.81 3kh5 n GLU 92 Ca 0.05 -2.82 -0.19 0.00 -0.02 0.00 0.00 57.16 54.19 3kh5 n GLU 92 Cb 0.51 -0.16 0.06 0.00 -0.02 0.00 0.00 31.44 31.83 3kh5 n GLU 92 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3kh5 n ASN 93 N -2.34 -3.68 -4.77 1.62 5.15 -1.26 -4.90 115.26 105.08 3kh5 n ASN 93 Ca 0.13 -0.75 -0.40 0.00 -0.60 0.00 0.00 54.58 52.95 3kh5 n ASN 93 Cb 0.54 -4.65 -0.03 0.00 -0.53 0.00 0.00 39.78 35.11 3kh5 n ASN 93 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kh5 s VAL 94 N -3.47 2.91 -0.40 3.44 1.01 -1.26 -4.98 120.40 117.66 3kh5 s VAL 94 Ca 0.21 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 3kh5 s VAL 94 Cb -0.04 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.79 3kh5 s VAL 94 CO 0.77 0.21 1.08 -0.63 0.00 0.00 0.00 175.10 176.53 3kh5 s ILE 95 N -1.17 4.38 0.37 2.22 1.01 -1.26 -5.03 121.20 121.72 3kh5 s ILE 95 Ca 0.49 1.41 0.08 0.00 0.00 0.00 0.00 60.65 62.62 3kh5 s ILE 95 Cb -0.37 -4.50 -0.07 0.00 0.01 0.00 0.00 42.46 37.53 3kh5 s ILE 95 CO 0.49 -0.74 -0.03 0.42 0.00 0.00 0.00 174.94 175.08 3kh5 s THR 96 N 4.01 1.99 0.04 2.92 -4.23 -1.26 -4.12 115.64 114.99 3kh5 s THR 96 Ca 0.46 -2.08 0.08 0.00 -1.18 0.00 0.00 61.69 58.97 3kh5 s THR 96 Cb -0.10 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 3kh5 s THR 96 CO 0.24 -0.09 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.26 3kh5 s LEU 97 N -3.64 2.44 0.54 4.79 1.43 -0.07 -4.98 118.68 119.19 3kh5 s LEU 97 Ca 0.34 -0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 3kh5 s LEU 97 Cb 0.07 -1.43 -0.06 0.00 0.03 0.00 0.00 46.19 44.81 3kh5 s LEU 97 CO 0.17 0.26 1.07 -0.54 0.23 0.00 0.00 176.35 177.53 3kh5 s LYS 98 N -1.37 3.50 0.24 1.70 -0.14 -1.26 0.11 119.74 122.52 3kh5 s LYS 98 Ca 0.13 1.37 0.19 0.00 -1.36 0.00 0.00 55.97 56.30 3kh5 s LYS 98 Cb -0.10 -2.05 0.92 0.00 -1.68 0.00 0.00 37.83 34.92 3kh5 s LYS 98 CO 0.04 -0.69 1.57 -0.85 -0.76 0.00 0.00 175.35 174.67 3kh5 n GLU 99 N -1.44 0.13 -0.55 1.68 0.28 -0.05 -1.19 120.64 119.49 3kh5 n GLU 99 Ca 0.10 0.53 0.09 0.00 -0.16 0.00 0.00 57.16 57.72 3kh5 n GLU 99 Cb 0.52 -1.84 0.32 0.00 1.43 0.00 0.00 31.44 31.87 3kh5 n GLU 99 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3kh5 n ASN 100 N -2.10 4.46 -4.77 -1.84 6.94 -1.26 -4.62 115.26 112.08 3kh5 n ASN 100 Ca 0.00 -2.48 -0.39 0.00 -0.02 0.00 0.00 54.58 51.70 3kh5 n ASN 100 Cb 0.10 -0.53 -0.02 0.00 -2.36 0.00 0.00 39.78 36.96 3kh5 n ASN 100 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kh5 s ALA 101 N -1.89 3.19 0.47 -2.53 0.00 -0.33 -4.92 121.76 115.74 3kh5 s ALA 101 Ca 0.47 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.46 3kh5 s ALA 101 Cb 0.31 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 20.05 3kh5 s ALA 101 CO 0.21 -0.54 0.66 -0.51 0.00 0.00 0.00 175.76 175.58 3kh5 s ASP 102 N -1.06 5.59 0.32 0.00 1.01 -1.26 -0.88 116.67 120.40 3kh5 s ASP 102 Ca 0.56 -0.06 0.05 0.00 0.71 0.00 0.00 52.55 53.81 3kh5 s ASP 102 Cb -0.32 -1.03 0.69 0.00 1.01 0.00 0.00 42.92 43.27 3kh5 s ASP 102 CO 0.40 -0.85 1.86 -0.29 0.21 0.00 0.00 175.17 176.51 3kh5 h ILE 103 N 0.40 0.90 -0.34 0.77 2.10 -1.06 -2.43 117.51 117.85 3kh5 h ILE 103 Ca -0.43 -0.29 0.04 0.00 1.08 0.00 0.00 64.86 65.26 3kh5 h ILE 103 Cb 1.28 -0.02 -0.04 0.00 -1.09 0.00 0.00 36.82 36.94 3kh5 h ILE 103 CO 0.52 0.15 0.10 0.44 -1.08 0.00 0.00 178.15 178.28 3kh5 h ASP 104 N 0.84 0.08 -0.30 2.19 5.19 -1.96 -0.13 116.42 122.34 3kh5 h ASP 104 Ca 0.46 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.91 3kh5 h ASP 104 Cb 0.57 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 3kh5 h ASP 104 CO -0.22 0.08 0.19 -0.08 -3.12 0.00 0.00 179.24 176.09 3kh5 h GLU 105 N 0.23 0.39 -0.44 3.56 4.81 -1.85 -0.83 114.58 120.45 3kh5 h GLU 105 Ca 0.16 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 3kh5 h GLU 105 Cb 0.15 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3kh5 h GLU 105 CO -0.18 0.27 0.18 0.00 -0.73 0.00 0.00 179.01 178.56 3kh5 h ALA 106 N 1.10 0.54 -0.22 2.92 0.00 -1.14 -0.05 119.26 122.41 3kh5 h ALA 106 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kh5 h ALA 106 Cb -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kh5 h ALA 106 CO -0.02 -0.19 0.14 0.82 0.00 0.00 0.00 179.25 179.99 3kh5 h ILE 107 N 0.37 1.07 -0.57 0.00 2.04 -0.81 -0.47 117.51 119.14 3kh5 h ILE 107 Ca 0.20 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3kh5 h ILE 107 Cb 0.16 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3kh5 h ILE 107 CO -0.18 0.07 0.28 -0.08 0.00 0.00 0.00 178.15 178.24 3kh5 h GLU 108 N 0.28 0.80 -0.02 2.37 4.81 -0.78 -0.59 114.58 121.46 3kh5 h GLU 108 Ca 0.08 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kh5 h GLU 108 Cb -0.01 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 3kh5 h GLU 108 CO -0.02 0.62 0.01 1.15 -0.73 0.00 0.00 179.01 180.04 3kh5 h THR 109 N 0.80 1.15 -0.87 0.32 2.02 -0.58 -0.85 112.91 114.90 3kh5 h THR 109 Ca 0.20 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3kh5 h THR 109 Cb 0.07 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 3kh5 h THR 109 CO -0.03 0.12 0.48 -0.26 0.37 0.00 0.00 175.52 176.20 3kh5 h PHE 110 N -0.16 1.20 0.00 3.16 0.04 -0.78 -0.71 116.94 119.68 3kh5 h PHE 110 Ca 0.01 -0.03 -0.19 0.00 2.80 0.00 0.00 57.97 60.56 3kh5 h PHE 110 Cb 0.19 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 3kh5 h PHE 110 CO -0.01 0.83 -0.85 -0.07 -0.60 0.00 0.00 178.31 177.61 3kh5 h LEU 111 N 1.22 0.18 0.00 1.54 4.07 -1.03 -3.29 115.31 118.00 3kh5 h LEU 111 Ca 0.31 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.13 3kh5 h LEU 111 Cb 0.03 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.71 3kh5 h LEU 111 CO -0.05 0.94 -1.41 0.35 -1.08 0.00 0.00 178.44 177.20 3kh5 n THR 112 N -3.64 0.00 -0.44 0.22 -2.24 -0.33 -4.57 114.28 103.28 3kh5 n THR 112 Ca -0.03 -0.25 0.08 0.00 -2.27 0.00 0.00 64.05 61.58 3kh5 n THR 112 Cb 0.79 0.32 0.24 0.00 -2.10 0.00 0.00 70.33 69.58 3kh5 n THR 112 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kh5 n LYS 113 N -1.82 3.04 -4.03 -0.78 4.76 -0.28 -5.00 118.16 114.05 3kh5 n LYS 113 Ca -0.02 -2.45 -0.29 0.00 -2.87 0.00 0.00 58.31 52.69 3kh5 n LYS 113 Cb 0.28 -1.54 -0.02 0.00 -1.84 0.00 0.00 35.03 31.91 3kh5 n LYS 113 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kh5 n ASN 114 N 0.60 -1.38 -4.25 4.39 5.15 -1.24 -4.98 115.26 113.55 3kh5 n ASN 114 Ca 0.18 -1.00 -0.22 0.00 -0.60 0.00 0.00 54.58 52.94 3kh5 n ASN 114 Cb 0.63 -3.01 -0.12 0.00 -0.53 0.00 0.00 39.78 36.75 3kh5 n ASN 114 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3kh5 s VAL 115 N -3.74 1.51 -1.07 3.44 -7.23 -1.25 -5.05 120.40 107.00 3kh5 s VAL 115 Ca 0.24 -1.49 0.13 0.00 -1.81 0.00 0.00 61.98 59.05 3kh5 s VAL 115 Cb -0.13 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 3kh5 s VAL 115 CO 0.90 -0.14 0.69 0.61 -0.31 0.00 0.00 175.10 176.85 3kh5 n GLY 116 N 1.09 -0.11 3.55 2.32 0.00 -1.26 -4.44 105.19 106.34 3kh5 n GLY 116 Ca -0.20 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 3kh5 n GLY 116 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kh5 s GLY 117 N -1.67 -0.53 -0.05 -0.02 0.00 -1.26 -1.02 107.32 102.77 3kh5 s GLY 117 Ca 0.10 1.63 -0.02 0.00 0.00 0.00 0.00 44.72 46.43 3kh5 s GLY 117 CO 0.34 1.33 0.10 0.00 0.00 0.00 0.00 173.10 174.87 3kh5 s ALA 118 N -0.32 -0.11 0.38 3.20 0.00 0.28 -4.99 121.76 120.21 3kh5 s ALA 118 Ca -0.05 0.51 -0.28 0.00 0.00 0.00 0.00 51.96 52.15 3kh5 s ALA 118 Cb -0.03 -0.40 -0.11 0.00 0.00 0.00 0.00 23.12 22.58 3kh5 s ALA 118 CO 0.05 -0.17 1.46 -2.30 0.00 0.00 0.00 175.76 174.80 3kh5 n PRO 119 N 4.29 2.56 -3.71 0.00 -0.02 -1.26 -1.91 135.00 134.95 3kh5 n PRO 119 Ca -0.25 0.90 -0.36 0.00 -2.02 0.00 0.00 63.50 61.76 3kh5 n PRO 119 Cb 0.51 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.27 3kh5 n PRO 119 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kh5 s ILE 120 N -1.13 5.22 0.23 4.25 1.01 -0.27 -0.90 121.20 129.62 3kh5 s ILE 120 Ca 0.54 0.13 0.10 0.00 0.00 0.00 0.00 60.65 61.43 3kh5 s ILE 120 Cb -0.48 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 3kh5 s ILE 120 CO 0.63 0.36 -0.18 0.68 0.00 0.00 0.00 174.94 176.42 3kh5 s VAL 121 N 1.00 2.12 0.00 2.92 -7.23 0.12 -0.30 120.40 119.03 3kh5 s VAL 121 Ca 0.07 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 3kh5 s VAL 121 Cb -0.13 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.69 3kh5 s VAL 121 CO 0.04 -0.41 0.00 -0.46 -0.31 0.00 0.00 175.10 173.96 3kh5 n ASN 122 N -0.28 0.00 0.28 4.85 0.23 -0.77 -0.87 115.26 118.69 3kh5 n ASN 122 Ca -0.08 -0.77 0.18 0.00 -0.53 0.00 0.00 54.58 53.37 3kh5 n ASN 122 Cb 0.59 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 39.02 3kh5 n ASN 122 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kh5 h ASP 123 N 0.00 0.00 -0.31 0.53 3.32 -2.00 -1.84 116.42 116.12 3kh5 h ASP 123 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kh5 h ASP 123 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kh5 h ASP 123 CO 0.00 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.90 3kh5 n GLU 124 N -3.04 1.98 -1.32 3.56 -0.58 -1.26 -4.92 120.64 115.07 3kh5 n GLU 124 Ca 0.00 -1.50 -0.11 0.00 -0.42 0.00 0.00 57.16 55.13 3kh5 n GLU 124 Cb 0.28 -1.40 -0.05 0.00 -0.57 0.00 0.00 31.44 29.70 3kh5 n GLU 124 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3kh5 n ASN 125 N 0.72 -4.55 -4.76 1.62 5.15 -0.69 -4.89 115.26 107.86 3kh5 n ASN 125 Ca 0.16 0.27 -0.40 0.00 -0.60 0.00 0.00 54.58 54.02 3kh5 n ASN 125 Cb 0.40 -3.02 -0.05 0.00 -0.53 0.00 0.00 39.78 36.57 3kh5 n ASN 125 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3kh5 s GLN 126 N -2.84 4.70 0.06 1.20 -0.21 -1.26 -1.28 119.66 120.03 3kh5 s GLN 126 Ca 0.00 1.64 -0.31 0.00 0.02 0.00 0.00 55.36 56.72 3kh5 s GLN 126 Cb 0.00 -3.18 -0.07 0.00 1.00 0.00 0.00 33.01 30.76 3kh5 s GLN 126 CO 0.00 0.32 1.52 -1.17 -2.12 0.00 0.00 175.29 173.84 3kh5 s LEU 127 N -1.42 4.35 -0.17 2.90 2.96 -0.15 -1.86 118.68 125.29 3kh5 s LEU 127 Ca 0.44 2.34 -0.10 0.00 -0.22 0.00 0.00 54.13 56.59 3kh5 s LEU 127 Cb -0.28 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.76 3kh5 s LEU 127 CO 0.36 -0.79 -0.24 -0.38 -1.32 0.00 0.00 176.35 173.98 3kh5 n ILE 128 N 4.54 1.12 -1.75 6.68 2.08 0.59 -4.92 119.36 127.70 3kh5 n ILE 128 Ca 0.14 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.28 3kh5 n ILE 128 Cb 0.42 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.48 3kh5 n ILE 128 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 3kh5 n SER 129 N -3.91 0.00 -3.64 4.38 2.88 -0.95 -4.93 113.62 107.44 3kh5 n SER 129 Ca -0.32 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.08 3kh5 n SER 129 Cb 0.68 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.07 3kh5 n SER 129 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3kh5 s LEU 130 N 0.00 -0.60 -0.00 2.46 2.96 -1.26 -1.11 118.68 121.12 3kh5 s LEU 130 Ca 0.00 1.33 0.06 0.00 -0.22 0.00 0.00 54.13 55.30 3kh5 s LEU 130 Cb 0.00 2.35 -0.02 0.00 0.50 0.00 0.00 46.19 49.02 3kh5 s LEU 130 CO 0.00 -0.26 -0.20 -0.51 -1.32 0.00 0.00 176.35 174.06 3kh5 s ILE 131 N 0.27 1.58 0.36 6.68 1.10 -0.80 -4.10 121.20 126.28 3kh5 s ILE 131 Ca -0.01 -0.92 0.05 0.00 -0.51 0.00 0.00 60.65 59.26 3kh5 s ILE 131 Cb -0.04 -1.33 -0.07 0.00 0.15 0.00 0.00 42.46 41.17 3kh5 s ILE 131 CO 0.01 0.39 0.04 0.42 -2.11 0.00 0.00 174.94 173.70 3kh5 s THR 132 N -0.53 1.45 0.25 4.00 -4.23 -1.26 -0.55 115.64 114.76 3kh5 s THR 132 Ca 0.08 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.53 3kh5 s THR 132 Cb -0.08 -2.84 0.25 0.00 1.34 0.00 0.00 72.50 71.17 3kh5 s THR 132 CO -0.00 0.00 1.91 -0.33 -0.54 0.00 0.00 174.62 175.66 3kh5 h GLU 133 N 1.97 1.25 -0.65 3.99 5.08 -1.45 -2.59 114.58 122.18 3kh5 h GLU 133 Ca -0.42 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3kh5 h GLU 133 Cb 1.24 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 3kh5 h GLU 133 CO 0.73 0.83 0.41 -0.09 -1.00 0.00 0.00 179.01 179.89 3kh5 h ARG 134 N 1.28 0.79 -0.82 2.33 2.43 -1.95 -0.63 114.38 117.81 3kh5 h ARG 134 Ca 0.38 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.59 3kh5 h ARG 134 Cb -0.07 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.23 3kh5 h ARG 134 CO -0.10 0.52 0.48 -0.44 -1.51 0.00 0.00 179.97 178.92 3kh5 h ASP 135 N 0.82 0.70 -0.07 -3.80 3.32 -1.87 0.67 116.42 116.18 3kh5 h ASP 135 Ca 0.25 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 3kh5 h ASP 135 Cb -0.01 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3kh5 h ASP 135 CO -0.09 0.41 -0.22 0.58 -1.72 0.00 0.00 179.24 178.20 3kh5 h VAL 136 N 0.82 1.42 -0.82 -1.35 2.07 -1.27 -2.07 116.25 115.04 3kh5 h VAL 136 Ca 0.39 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.33 3kh5 h VAL 136 Cb 0.32 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 3kh5 h VAL 136 CO -0.23 0.45 0.54 0.40 0.02 0.00 0.00 177.57 178.75 3kh5 h ILE 137 N -0.21 1.20 -0.75 4.57 2.04 -0.89 -0.43 117.51 123.04 3kh5 h ILE 137 Ca -0.01 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3kh5 h ILE 137 Cb 0.84 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3kh5 h ILE 137 CO 0.05 0.20 0.49 -0.09 0.00 0.00 0.00 178.15 178.80 3kh5 h ARG 138 N 1.10 0.96 -0.05 2.37 2.43 -0.89 0.11 114.38 120.41 3kh5 h ARG 138 Ca 0.31 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 3kh5 h ARG 138 Cb -0.11 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.21 3kh5 h ARG 138 CO -0.07 0.64 -0.44 0.00 -1.51 0.00 0.00 179.97 178.59 3kh5 h ALA 139 N 1.29 1.18 -0.24 2.80 0.00 -0.65 -3.29 119.26 120.36 3kh5 h ALA 139 Ca 0.28 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kh5 h ALA 139 Cb -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kh5 h ALA 139 CO -0.07 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.04 3kh5 n LEU 140 N -4.01 2.67 -0.21 0.00 4.77 -0.24 -4.71 117.00 115.27 3kh5 n LEU 140 Ca -0.02 -1.54 -0.00 0.00 -0.03 0.00 0.00 56.01 54.42 3kh5 n LEU 140 Cb 0.48 -0.15 0.11 0.00 -2.33 0.00 0.00 43.42 41.52 3kh5 n LEU 140 CO 0.41 0.60 1.00 0.25 -1.33 0.00 0.00 177.39 178.33 3kh5 h LEU 141 N 2.56 0.28 -0.82 2.23 5.85 -0.87 0.95 115.31 125.49 3kh5 h LEU 141 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3kh5 h LEU 141 Cb 0.68 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3kh5 h LEU 141 CO 0.00 0.17 0.00 -0.90 -0.34 0.00 0.00 178.44 177.37 3kh5 n ASP 142 N -4.96 0.59 -0.21 1.25 5.68 -1.26 -2.42 116.55 115.22 3kh5 n ASP 142 Ca 0.09 0.68 0.13 0.00 -0.50 0.00 0.00 54.79 55.18 3kh5 n ASP 142 Cb 0.26 -0.79 0.43 0.00 -1.14 0.00 0.00 41.12 39.88 3kh5 n ASP 142 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3kh5 n LYS 143 N -2.19 0.79 -2.70 0.11 4.76 0.32 -4.81 118.16 114.45 3kh5 n LYS 143 Ca 0.01 -0.43 -0.42 0.00 -2.87 0.00 0.00 58.31 54.60 3kh5 n LYS 143 Cb 0.18 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 3kh5 n LYS 143 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kh5 s ILE 144 N -2.50 4.77 0.24 -0.18 1.01 -1.01 -5.00 121.20 118.53 3kh5 s ILE 144 Ca 0.25 2.01 -0.31 0.00 0.00 0.00 0.00 60.65 62.61 3kh5 s ILE 144 Cb 0.19 -4.30 -0.13 0.00 0.01 0.00 0.00 42.46 38.23 3kh5 s ILE 144 CO 0.51 -0.03 1.46 -0.67 0.00 0.00 0.00 174.94 176.22 3kh5 n ASP 145 N 5.26 3.01 0.21 3.58 4.64 -1.26 -4.89 116.55 127.10 3kh5 n ASP 145 Ca 0.09 1.14 0.15 0.00 -1.38 0.00 0.00 54.79 54.79 3kh5 n ASP 145 Cb 0.48 -1.46 0.60 0.00 -1.04 0.00 0.00 41.12 39.70 3kh5 n ASP 145 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 3kh5 h GLU 146 N 4.51 0.00 0.00 -0.67 5.08 -1.95 -2.89 114.58 118.66 3kh5 h GLU 146 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3kh5 h GLU 146 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3kh5 h GLU 146 CO 0.78 0.00 -0.98 0.09 -1.00 0.00 0.00 179.01 177.90 3kh5 n ASN 147 N -2.70 0.75 -4.67 1.42 3.02 -1.26 -4.83 115.26 106.99 3kh5 n ASN 147 Ca 0.01 -0.62 -0.45 0.00 -0.03 0.00 0.00 54.58 53.49 3kh5 n ASN 147 Cb 0.27 0.88 -0.03 0.00 -0.61 0.00 0.00 39.78 40.29 3kh5 n ASN 147 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3kh5 n GLU 148 N -1.65 2.06 -4.10 3.52 0.00 -1.09 -4.93 120.64 114.45 3kh5 n GLU 148 Ca 0.03 0.74 -0.23 0.00 0.00 0.00 0.00 57.16 57.70 3kh5 n GLU 148 Cb 0.37 -2.43 -0.04 0.00 0.00 0.00 0.00 31.44 29.33 3kh5 n GLU 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3kh5 s VAL 149 N 0.30 4.51 -0.55 6.31 0.11 -1.26 -0.94 120.40 128.87 3kh5 s VAL 149 Ca 0.72 -1.31 0.24 0.00 -2.93 0.00 0.00 61.98 58.71 3kh5 s VAL 149 Cb -0.67 -3.41 0.31 0.00 -1.53 0.00 0.00 36.38 31.09 3kh5 s VAL 149 CO 0.45 -0.30 1.67 0.16 -3.33 0.00 0.00 175.10 173.75 3kh5 h ILE 150 N 1.59 0.00 -0.80 7.04 3.07 -1.57 -3.41 117.51 123.44 3kh5 h ILE 150 Ca -0.49 -0.79 0.18 0.00 1.55 0.00 0.00 64.86 65.31 3kh5 h ILE 150 Cb 1.23 1.78 -0.14 0.00 -0.27 0.00 0.00 36.82 39.42 3kh5 h ILE 150 CO 0.61 0.00 -0.05 0.44 -1.05 0.00 0.00 178.15 178.10 3kh5 h ASP 151 N 0.00 -0.48 0.71 2.16 5.19 -1.94 0.13 116.42 122.19 3kh5 h ASP 151 Ca 0.00 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 3kh5 h ASP 151 Cb 0.90 0.40 0.00 0.00 0.18 0.00 0.00 39.33 40.81 3kh5 h ASP 151 CO 0.00 -0.22 0.00 0.47 -3.12 0.00 0.00 179.24 176.37 3kh5 n ASP 152 N -5.41 0.58 -0.00 6.45 8.00 -1.26 -3.12 116.55 121.78 3kh5 n ASP 152 Ca 0.14 0.64 0.09 0.00 0.71 0.00 0.00 54.79 56.37 3kh5 n ASP 152 Cb 0.49 -0.76 -0.11 0.00 -0.02 0.00 0.00 41.12 40.71 3kh5 n ASP 152 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kh5 n TYR 153 N -2.13 0.00 -2.36 1.24 4.01 0.44 -4.97 117.16 113.38 3kh5 n TYR 153 Ca 0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.35 3kh5 n TYR 153 Cb 0.23 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 3kh5 n TYR 153 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3kh5 s ILE 154 N -2.85 3.61 -0.30 -0.72 1.01 -1.12 -4.83 121.20 116.00 3kh5 s ILE 154 Ca 0.07 1.31 -0.26 0.00 0.00 0.00 0.00 60.65 61.76 3kh5 s ILE 154 Cb 0.15 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.79 3kh5 s ILE 154 CO 0.80 0.19 0.93 -0.89 0.00 0.00 0.00 174.94 175.97 3kh5 s THR 155 N 0.18 4.66 -0.03 2.92 2.01 -0.08 -4.92 115.64 120.39 3kh5 s THR 155 Ca 0.54 1.50 -0.18 0.00 0.31 0.00 0.00 61.69 63.87 3kh5 s THR 155 Cb -0.33 -4.28 -0.32 0.00 0.01 0.00 0.00 72.50 67.58 3kh5 s THR 155 CO 0.35 -0.34 0.86 -0.09 -0.69 0.00 0.00 174.62 174.72 3kh5 h ARG 156 N 8.04 0.39 -5.81 4.92 1.12 -1.85 -1.45 114.38 119.73 3kh5 h ARG 156 Ca -0.22 -0.67 -0.61 0.00 -1.11 0.00 0.00 59.98 57.37 3kh5 h ARG 156 Cb 1.08 0.25 -0.12 0.00 -0.01 0.00 0.00 29.97 31.16 3kh5 h ARG 156 CO 0.96 1.32 0.63 -0.51 -3.11 0.00 0.00 179.97 179.26 3kh5 s ASP 157 N -7.24 6.27 -0.19 -3.80 1.01 -1.26 -4.45 116.67 107.01 3kh5 s ASP 157 Ca -0.13 -0.55 -0.12 0.00 0.71 0.00 0.00 52.55 52.46 3kh5 s ASP 157 Cb 0.03 -2.45 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 3kh5 s ASP 157 CO 0.87 -1.38 0.21 -0.69 0.21 0.00 0.00 175.17 174.39 3kh5 s VAL 158 N 4.23 5.35 0.02 -1.27 1.01 -1.26 -5.02 120.40 123.47 3kh5 s VAL 158 Ca 0.29 0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.41 3kh5 s VAL 158 Cb -0.13 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 3kh5 s VAL 158 CO 0.16 0.40 0.65 -0.63 0.00 0.00 0.00 175.10 175.68 3kh5 s ILE 159 N 0.55 4.82 0.04 2.22 -1.09 -1.26 -5.06 121.20 121.42 3kh5 s ILE 159 Ca 0.12 1.37 -0.00 0.00 -2.23 0.00 0.00 60.65 59.91 3kh5 s ILE 159 Cb -0.12 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.74 3kh5 s ILE 159 CO 0.02 0.42 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.42 3kh5 s VAL 160 N -0.25 0.22 0.41 2.92 1.01 -1.26 -4.31 120.40 119.13 3kh5 s VAL 160 Ca 0.33 -1.30 0.07 0.00 0.00 0.00 0.00 61.98 61.08 3kh5 s VAL 160 Cb -0.19 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 3kh5 s VAL 160 CO 0.19 -0.69 0.21 0.00 0.00 0.00 0.00 175.10 174.82 3kh5 s ALA 161 N -2.45 3.66 0.24 5.51 0.00 -0.22 -4.98 121.76 123.51 3kh5 s ALA 161 Ca -0.06 -2.06 0.10 0.00 0.00 0.00 0.00 51.96 49.95 3kh5 s ALA 161 Cb -0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 3kh5 s ALA 161 CO -0.04 -0.17 -0.18 0.95 0.00 0.00 0.00 175.76 176.32 3kh5 s THR 162 N -2.57 2.16 0.56 0.00 -4.23 -1.26 -1.11 115.64 109.18 3kh5 s THR 162 Ca 0.42 -2.29 0.25 0.00 -1.18 0.00 0.00 61.69 58.89 3kh5 s THR 162 Cb 0.02 -2.17 0.35 0.00 1.34 0.00 0.00 72.50 72.04 3kh5 s THR 162 CO 0.23 -0.45 2.10 -0.65 -0.54 0.00 0.00 174.62 175.31 3kh5 h PRO 163 N 2.48 0.00 -0.00 3.99 0.11 -1.94 -2.43 132.00 134.21 3kh5 h PRO 163 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kh5 h PRO 163 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kh5 h PRO 163 CO 0.60 0.00 -0.62 0.41 -0.21 0.00 0.00 178.00 178.17 3kh5 n GLY 164 N -1.48 -1.14 3.77 -0.55 0.00 -1.26 -0.93 105.19 103.60 3kh5 n GLY 164 Ca 0.02 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 3kh5 n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kh5 s GLU 165 N -2.97 4.21 0.47 1.61 2.02 -0.92 -4.73 118.70 118.39 3kh5 s GLU 165 Ca 0.11 2.43 -0.20 0.00 0.02 0.00 0.00 54.97 57.32 3kh5 s GLU 165 Cb 0.17 -3.02 -0.09 0.00 0.10 0.00 0.00 34.13 31.30 3kh5 s GLU 165 CO 0.74 -0.40 1.02 1.03 0.02 0.00 0.00 175.26 177.66 3kh5 s ARG 166 N -1.81 3.89 0.28 1.61 0.52 -1.26 -1.59 118.95 120.59 3kh5 s ARG 166 Ca 0.52 1.31 0.00 0.00 -0.52 0.00 0.00 55.73 57.04 3kh5 s ARG 166 Cb -0.44 -2.11 0.52 0.00 0.52 0.00 0.00 34.95 33.44 3kh5 s ARG 166 CO 0.58 -0.35 1.84 1.25 0.02 0.00 0.00 175.30 178.63 3kh5 h LEU 167 N 1.63 0.92 -1.52 2.53 6.46 -0.22 -1.68 115.31 123.42 3kh5 h LEU 167 Ca -0.49 0.04 0.11 0.00 -0.12 0.00 0.00 57.88 57.42 3kh5 h LEU 167 Cb 1.21 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.95 3kh5 h LEU 167 CO 0.59 0.50 0.47 0.07 -0.62 0.00 0.00 178.44 179.46 3kh5 h LYS 168 N 1.00 0.51 0.16 1.25 2.10 -1.33 0.49 116.57 120.75 3kh5 h LYS 168 Ca 0.48 -0.03 -0.35 0.00 -2.00 0.00 0.00 60.65 58.75 3kh5 h LYS 168 Cb 0.44 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 3kh5 h LYS 168 CO -0.25 0.34 -1.77 -0.44 -2.00 0.00 0.00 179.45 175.32 3kh5 h ASP 169 N 0.52 0.54 -0.81 7.07 3.32 -1.62 -3.12 116.42 122.32 3kh5 h ASP 169 Ca 0.33 -0.86 -0.01 0.00 0.02 0.00 0.00 57.03 56.51 3kh5 h ASP 169 Cb 0.60 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 3kh5 h ASP 169 CO -0.11 1.73 0.46 0.58 -1.72 0.00 0.00 179.24 180.19 3kh5 h VAL 170 N 0.09 1.23 -0.78 -1.35 2.07 -1.25 -2.00 116.25 114.27 3kh5 h VAL 170 Ca -0.34 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 66.65 3kh5 h VAL 170 Cb 2.08 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 3kh5 h VAL 170 CO 0.16 0.26 0.50 0.00 0.02 0.00 0.00 177.57 178.50 3kh5 h ALA 171 N 1.38 1.03 -0.17 1.67 0.00 -0.98 0.15 119.26 122.33 3kh5 h ALA 171 Ca 0.29 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3kh5 h ALA 171 Cb -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3kh5 h ALA 171 CO -0.05 0.31 0.05 0.00 0.00 0.00 0.00 179.25 179.56 3kh5 h ARG 172 N 0.98 0.12 -0.59 0.00 2.47 -1.43 -1.41 114.38 114.51 3kh5 h ARG 172 Ca 0.31 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 59.07 3kh5 h ARG 172 Cb 0.01 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.25 3kh5 h ARG 172 CO -0.11 0.08 0.34 1.15 0.56 0.00 0.00 179.97 181.99 3kh5 h THR 173 N 0.12 1.01 0.08 2.04 2.02 -0.61 0.35 112.91 117.93 3kh5 h THR 173 Ca 0.08 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 3kh5 h THR 173 Cb 0.06 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3kh5 h THR 173 CO -0.09 0.12 -0.04 0.24 0.37 0.00 0.00 175.52 176.12 3kh5 h MET 174 N 0.66 -0.11 -0.20 6.66 2.86 -0.82 -2.71 114.93 121.26 3kh5 h MET 174 Ca 0.25 0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.78 3kh5 h MET 174 Cb 0.09 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 3kh5 h MET 174 CO -0.14 0.06 -0.34 0.28 1.06 0.00 0.00 176.91 177.83 3kh5 h VAL 175 N -0.25 1.33 -0.71 -2.22 2.07 -1.00 0.34 116.25 115.81 3kh5 h VAL 175 Ca -0.01 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 3kh5 h VAL 175 Cb 0.21 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 3kh5 h VAL 175 CO 0.02 0.48 0.35 0.03 0.02 0.00 0.00 177.57 178.46 3kh5 h ARG 176 N 0.27 1.01 0.00 1.57 2.47 -1.02 -3.02 114.38 115.66 3kh5 h ARG 176 Ca 0.02 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3kh5 h ARG 176 Cb 0.93 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.06 3kh5 h ARG 176 CO 0.08 0.78 -0.75 0.09 0.56 0.00 0.00 179.97 180.73 3kh5 n ASN 177 N -4.33 0.62 -1.78 7.04 3.02 -1.02 -4.97 115.26 113.83 3kh5 n ASN 177 Ca 0.07 -0.15 -0.13 0.00 -0.03 0.00 0.00 54.58 54.33 3kh5 n ASN 177 Cb 0.13 0.45 0.01 0.00 -0.61 0.00 0.00 39.78 39.76 3kh5 n ASN 177 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kh5 n GLY 178 N 1.40 -0.09 3.25 7.41 0.00 0.01 -5.03 105.19 112.14 3kh5 n GLY 178 Ca 0.03 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3kh5 n GLY 178 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kh5 s PHE 179 N -2.83 2.91 0.22 1.61 0.08 -0.59 -5.00 117.98 114.39 3kh5 s PHE 179 Ca 0.13 -1.15 0.16 0.00 0.12 0.00 0.00 56.93 56.18 3kh5 s PHE 179 Cb -0.06 -2.05 0.59 0.00 -0.57 0.00 0.00 43.02 40.93 3kh5 s PHE 179 CO 0.16 -0.63 1.70 0.00 -0.10 0.00 0.00 175.22 176.35 3kh5 h ARG 180 N 8.06 0.00 -4.81 0.44 3.08 -1.96 -3.41 114.38 115.78 3kh5 h ARG 180 Ca -0.42 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.03 3kh5 h ARG 180 Cb 1.15 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.86 3kh5 h ARG 180 CO 0.61 0.45 -0.84 -0.98 -1.07 0.00 0.00 179.97 178.14 3kh5 s ARG 181 N -3.66 2.31 -0.14 0.04 3.03 -1.26 -1.17 118.95 118.10 3kh5 s ARG 181 Ca -0.01 -0.60 0.02 0.00 2.03 0.00 0.00 55.73 57.17 3kh5 s ARG 181 Cb 0.12 -1.93 0.00 0.00 -1.03 0.00 0.00 34.95 32.11 3kh5 s ARG 181 CO 0.71 -0.03 -0.19 -0.51 -1.13 0.00 0.00 175.30 174.15 3kh5 s LEU 182 N 0.90 2.28 0.41 -1.89 1.43 -0.18 -5.01 118.68 116.61 3kh5 s LEU 182 Ca -0.08 -0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 52.23 3kh5 s LEU 182 Cb -0.15 -1.50 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 3kh5 s LEU 182 CO -0.00 0.10 1.32 -2.84 0.23 0.00 0.00 176.35 175.15 3kh5 s PRO 183 N 0.73 3.95 -0.24 1.29 0.02 -1.26 -1.59 135.00 137.90 3kh5 s PRO 183 Ca -0.08 2.20 -0.10 0.00 0.02 0.00 0.00 61.00 63.03 3kh5 s PRO 183 Cb -0.16 -2.76 -0.05 0.00 0.02 0.00 0.00 34.50 31.55 3kh5 s PRO 183 CO 0.01 -0.52 0.16 0.08 -0.33 0.00 0.00 177.00 176.39 3kh5 s VAL 184 N -1.25 5.36 -0.03 3.83 1.01 0.40 -1.06 120.40 128.66 3kh5 s VAL 184 Ca 0.57 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.77 3kh5 s VAL 184 Cb -0.39 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3kh5 s VAL 184 CO 0.50 0.35 -0.16 -0.69 0.00 0.00 0.00 175.10 175.10 3kh5 s VAL 185 N 1.02 1.34 -0.06 2.92 1.01 -0.27 -0.39 120.40 125.97 3kh5 s VAL 185 Ca 0.08 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 3kh5 s VAL 185 Cb -0.13 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.14 3kh5 s VAL 185 CO 0.04 0.39 0.01 -0.55 0.00 0.00 0.00 175.10 174.99 3kh5 s SER 186 N -0.15 1.35 -1.34 3.32 0.15 0.12 -4.40 113.70 112.74 3kh5 s SER 186 Ca 0.01 -0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 3kh5 s SER 186 Cb -0.09 -0.34 0.01 0.00 -1.71 0.00 0.00 66.02 63.88 3kh5 s SER 186 CO 0.01 -0.20 0.69 -0.62 1.20 0.00 0.00 173.24 174.32 3kh5 n GLU 187 N 5.06 -4.75 -0.38 5.44 -0.58 -1.26 -1.90 120.64 122.26 3kh5 n GLU 187 Ca -0.08 0.59 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 3kh5 n GLU 187 Cb 0.50 -5.12 0.00 0.00 -0.57 0.00 0.00 31.44 26.25 3kh5 n GLU 187 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kh5 n GLY 188 N -1.63 1.09 3.76 0.62 0.00 -1.26 -4.99 105.19 102.77 3kh5 n GLY 188 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 3kh5 n GLY 188 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kh5 s ARG 189 N -0.23 3.20 0.07 1.61 3.00 -0.80 -3.71 118.95 122.10 3kh5 s ARG 189 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 55.73 55.13 3kh5 s ARG 189 Cb 0.00 -2.97 -0.08 0.00 0.00 0.00 0.00 34.95 31.90 3kh5 s ARG 189 CO 0.00 0.72 1.56 -1.17 0.00 0.00 0.00 175.30 176.42 3kh5 s LEU 190 N -0.91 4.36 0.00 2.53 2.96 -0.04 -0.71 118.68 126.87 3kh5 s LEU 190 Ca 0.14 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 3kh5 s LEU 190 Cb -0.12 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3kh5 s LEU 190 CO 0.03 -0.82 0.16 1.33 -1.32 0.00 0.00 176.35 175.73 3kh5 n VAL 191 N 4.54 0.00 -1.52 1.68 0.24 0.48 -4.92 118.33 118.82 3kh5 n VAL 191 Ca 0.15 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3kh5 n VAL 191 Cb 0.41 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 3kh5 n VAL 191 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kh5 n GLY 192 N 0.38 -1.45 2.96 7.63 0.00 -1.11 -4.55 105.19 109.06 3kh5 n GLY 192 Ca 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 3kh5 n GLY 192 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kh5 s ILE 193 N -2.46 0.06 -0.02 -0.61 2.07 0.18 -0.45 121.20 119.97 3kh5 s ILE 193 Ca 0.00 -0.53 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 3kh5 s ILE 193 Cb 0.00 -0.20 0.01 0.00 0.13 0.00 0.00 42.46 42.40 3kh5 s ILE 193 CO 0.00 -0.29 -0.06 -0.51 -1.91 0.00 0.00 174.94 172.17 3kh5 s ILE 194 N -0.87 0.54 0.27 2.00 1.10 -0.62 -1.49 121.20 122.13 3kh5 s ILE 194 Ca -0.10 -0.21 0.05 0.00 -0.51 0.00 0.00 60.65 59.88 3kh5 s ILE 194 Cb -0.06 -0.50 -0.06 0.00 0.15 0.00 0.00 42.46 41.99 3kh5 s ILE 194 CO -0.00 0.19 -0.01 0.42 -2.11 0.00 0.00 174.94 173.42 3kh5 s THR 195 N 0.34 1.28 0.53 4.00 -4.23 -1.26 -1.02 115.64 115.29 3kh5 s THR 195 Ca -0.04 -2.06 0.20 0.00 -1.18 0.00 0.00 61.69 58.61 3kh5 s THR 195 Cb -0.08 -2.48 0.31 0.00 1.34 0.00 0.00 72.50 71.59 3kh5 s THR 195 CO -0.00 -0.25 2.12 0.77 -0.54 0.00 0.00 174.62 176.72 3kh5 h SER 196 N 2.33 0.00 -0.81 3.99 4.64 -1.49 -2.09 113.55 120.11 3kh5 h SER 196 Ca -0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 3kh5 h SER 196 Cb 1.23 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 3kh5 h SER 196 CO 0.67 0.00 0.48 0.74 -0.87 0.00 0.00 176.83 177.85 3kh5 h THR 197 N 0.00 1.23 -0.79 2.95 2.02 -1.91 -2.13 112.91 114.28 3kh5 h THR 197 Ca 0.06 -0.51 0.07 0.00 0.77 0.00 0.00 66.41 66.80 3kh5 h THR 197 Cb 0.25 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 66.71 3kh5 h THR 197 CO -0.00 0.24 0.52 0.44 0.37 0.00 0.00 175.52 177.09 3kh5 h ASP 198 N 1.11 0.73 -0.24 4.18 3.32 -1.78 -0.41 116.42 123.33 3kh5 h ASP 198 Ca 0.29 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.21 3kh5 h ASP 198 Cb -0.03 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3kh5 h ASP 198 CO -0.05 0.47 -0.34 -0.26 -1.72 0.00 0.00 179.24 177.33 3kh5 h PHE 199 N 0.83 0.90 -0.40 4.55 0.04 -1.40 -1.47 116.94 119.99 3kh5 h PHE 199 Ca 0.34 -0.25 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 3kh5 h PHE 199 Cb 0.27 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3kh5 h PHE 199 CO -0.00 1.00 -0.02 0.82 -0.60 0.00 0.00 178.31 179.51 3kh5 h ILE 200 N 0.64 1.26 -0.66 -0.55 1.08 -1.05 -2.88 117.51 115.35 3kh5 h ILE 200 Ca 0.06 -1.05 -0.03 0.00 -0.39 0.00 0.00 64.86 63.45 3kh5 h ILE 200 Cb 0.88 1.14 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 3kh5 h ILE 200 CO 0.08 0.36 0.27 0.11 -0.69 0.00 0.00 178.15 178.28 3kh5 h LYS 201 N 0.55 0.97 -0.80 2.37 1.57 -1.01 -1.98 116.57 118.24 3kh5 h LYS 201 Ca 0.11 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3kh5 h LYS 201 Cb 0.51 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 3kh5 h LYS 201 CO 0.02 0.78 0.52 1.25 -0.57 0.00 0.00 179.45 181.46 3kh5 h LEU 202 N 0.95 0.89 -0.90 2.94 5.85 -1.21 -2.86 115.31 120.97 3kh5 h LEU 202 Ca 0.23 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3kh5 h LEU 202 Cb 0.17 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3kh5 h LEU 202 CO -0.02 0.63 0.53 -0.07 -0.34 0.00 0.00 178.44 179.18 3kh5 h LEU 203 N 1.05 1.09 -2.61 2.25 3.38 -1.15 -2.47 115.31 116.85 3kh5 h LEU 203 Ca 0.30 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 3kh5 h LEU 203 Cb -0.07 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.31 3kh5 h LEU 203 CO -0.08 0.85 0.20 0.61 0.09 0.00 0.00 178.44 180.11 3kh5 n GLY 204 N -1.21 2.78 3.96 0.83 0.00 -0.96 -4.49 105.19 106.10 3kh5 n GLY 204 Ca 0.10 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 3kh5 n GLY 204 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kh5 s SER 205 N 0.00 6.14 0.08 1.61 1.04 -0.93 -5.01 113.70 116.63 3kh5 s SER 205 Ca 0.22 0.19 -0.23 0.00 0.48 0.00 0.00 55.95 56.61 3kh5 s SER 205 Cb 0.18 -1.72 -0.15 0.00 0.10 0.00 0.00 66.02 64.44 3kh5 s SER 205 CO 0.05 -0.35 1.67 0.44 0.98 0.00 0.00 173.24 176.03 3kh5 h ASP 206 N 0.81 0.04 -1.00 7.02 3.32 -1.91 -2.32 116.42 122.38 3kh5 h ASP 206 Ca -0.49 -0.08 0.22 0.00 0.02 0.00 0.00 57.03 56.71 3kh5 h ASP 206 Cb 1.24 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.67 3kh5 h ASP 206 CO 0.59 0.11 0.62 -0.25 -1.72 0.00 0.00 179.24 178.58 3kh5 h TRP 207 N -0.03 0.95 0.02 4.55 7.01 -1.95 -1.84 115.95 124.67 3kh5 h TRP 207 Ca 0.01 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 3kh5 h TRP 207 Cb 0.07 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 3kh5 h TRP 207 CO -0.05 0.15 -0.01 0.00 -2.79 0.00 0.00 178.44 175.73 3kh5 h ALA 208 N 1.67 -0.03 -0.26 2.65 0.00 -1.72 -3.15 119.26 118.42 3kh5 h ALA 208 Ca 0.60 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3kh5 h ALA 208 Cb 1.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kh5 h ALA 208 CO -0.39 -0.14 0.09 0.35 0.00 0.00 0.00 179.25 179.17 3kh5 h PHE 209 N -0.79 0.35 -0.27 0.00 3.57 -1.15 -0.97 116.94 117.68 3kh5 h PHE 209 Ca -0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3kh5 h PHE 209 Cb 0.71 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 3kh5 h PHE 209 CO 0.18 0.29 -0.08 -0.97 -2.23 0.00 0.00 178.31 175.50 3kh5 h ASN 210 N 0.36 -0.28 -0.46 0.41 -1.24 -1.44 -2.75 115.58 110.18 3kh5 h ASN 210 Ca 0.09 0.09 -0.05 0.00 0.71 0.00 0.00 56.30 57.14 3kh5 h ASN 210 Cb 0.09 0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 3kh5 h ASN 210 CO -0.01 -0.10 0.11 0.45 -1.29 0.00 0.00 177.43 176.59 3kh5 h HIS 211 N -0.01 0.78 -0.96 0.67 3.86 -1.17 -3.20 115.15 115.11 3kh5 h HIS 211 Ca 0.13 -0.09 0.08 0.00 -1.16 0.00 0.00 60.37 59.33 3kh5 h HIS 211 Cb 0.22 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 28.40 3kh5 h HIS 211 CO -0.28 0.71 0.62 0.52 0.86 0.00 0.00 177.93 180.36 3kh5 h MET 212 N 0.61 1.03 -0.56 2.45 2.86 -1.19 0.98 114.93 121.11 3kh5 h MET 212 Ca 0.14 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3kh5 h MET 212 Cb 0.33 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3kh5 h MET 212 CO 0.00 0.68 0.25 1.96 1.06 0.00 0.00 176.91 180.86 3kh5 h GLN 213 N 1.06 0.82 -0.17 1.72 1.08 -1.48 -1.45 115.11 116.70 3kh5 h GLN 213 Ca 0.43 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 3kh5 h GLN 213 Cb 0.27 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3kh5 h GLN 213 CO -0.18 0.69 0.00 0.25 -0.95 0.00 0.00 178.83 178.64 3kh5 n THR 214 N -4.53 0.20 -1.59 -0.54 -2.24 -0.97 -5.02 114.28 99.59 3kh5 n THR 214 Ca 0.03 -0.44 -0.57 0.00 -2.27 0.00 0.00 64.05 60.80 3kh5 n THR 214 Cb 0.14 0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 69.00 3kh5 n THR 214 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kh5 n GLY 215 N 1.26 0.24 4.13 3.38 0.00 0.33 -4.82 105.19 109.72 3kh5 n GLY 215 Ca 0.17 0.79 -0.32 0.00 0.00 0.00 0.00 46.02 46.66 3kh5 n GLY 215 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kh5 n ASN 216 N 2.72 -1.86 0.13 1.61 5.15 -1.26 -5.01 115.26 116.73 3kh5 n ASN 216 Ca 0.21 -1.03 0.11 0.00 -0.60 0.00 0.00 54.58 53.28 3kh5 n ASN 216 Cb 0.12 -2.77 0.49 0.00 -0.53 0.00 0.00 39.78 37.08 3kh5 n ASN 216 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3kh5 n VAL 217 N -4.41 0.86 0.20 3.44 0.24 -1.26 -3.86 118.33 113.54 3kh5 n VAL 217 Ca -0.10 0.27 0.05 0.00 -2.04 0.00 0.00 64.34 62.52 3kh5 n VAL 217 Cb 0.58 -1.20 0.47 0.00 -1.47 0.00 0.00 33.84 32.22 3kh5 n VAL 217 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3kh5 h ARG 218 N 0.00 0.05 0.00 7.34 2.43 -1.94 -2.22 114.38 120.05 3kh5 h ARG 218 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kh5 h ARG 218 Cb 0.33 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3kh5 h ARG 218 CO 0.00 0.23 0.00 1.49 -1.51 0.00 0.00 179.97 180.18 3kh5 h GLU 219 N 0.05 0.00 0.36 0.20 4.57 -1.98 -2.04 114.58 115.74 3kh5 h GLU 219 Ca 0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3kh5 h GLU 219 Cb 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3kh5 h GLU 219 CO 0.02 0.00 -0.17 0.82 -1.18 0.00 0.00 179.01 178.50 3kh5 h ILE 220 N 0.00 0.66 0.00 2.32 2.04 -1.68 -3.01 117.51 117.84 3kh5 h ILE 220 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3kh5 h ILE 220 Cb 0.40 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3kh5 h ILE 220 CO 0.00 0.04 0.00 0.35 0.00 0.00 0.00 178.15 178.54 3kh5 n THR 221 N -5.25 0.01 0.78 -0.27 -2.24 -0.99 -3.01 114.28 103.31 3kh5 n THR 221 Ca -0.10 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 3kh5 n THR 221 Cb 0.24 -0.51 0.34 0.00 -2.10 0.00 0.00 70.33 68.30 3kh5 n THR 221 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kh5 n ASN 222 N -1.49 0.52 -4.70 3.42 3.02 -0.80 -0.94 115.26 114.29 3kh5 n ASN 222 Ca 0.07 0.23 -0.43 0.00 -0.03 0.00 0.00 54.58 54.42 3kh5 n ASN 222 Cb 0.33 -0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.31 3kh5 n ASN 222 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kh5 n VAL 223 N -1.87 1.96 -3.64 2.41 0.31 -1.14 -4.52 118.33 111.84 3kh5 n VAL 223 Ca 0.05 -0.49 -0.30 0.00 -0.01 0.00 0.00 64.34 63.59 3kh5 n VAL 223 Cb 0.39 -1.57 -0.04 0.00 -0.91 0.00 0.00 33.84 31.71 3kh5 n VAL 223 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3kh5 s ARG 224 N -1.83 3.59 0.30 5.55 0.52 -1.26 -0.12 118.95 125.70 3kh5 s ARG 224 Ca 0.56 -0.14 0.05 0.00 -0.52 0.00 0.00 55.73 55.67 3kh5 s ARG 224 Cb -0.57 -2.82 0.70 0.00 0.52 0.00 0.00 34.95 32.78 3kh5 s ARG 224 CO 0.62 0.42 1.79 0.52 0.02 0.00 0.00 175.30 178.66 3kh5 h MET 225 N 2.46 0.78 -0.75 3.54 2.86 -1.15 -0.75 114.93 121.92 3kh5 h MET 225 Ca -0.47 -0.05 0.21 0.00 -2.06 0.00 0.00 59.70 57.33 3kh5 h MET 225 Cb 1.17 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.62 3kh5 h MET 225 CO 0.71 0.52 0.53 1.05 1.06 0.00 0.00 176.91 180.78 3kh5 h GLU 226 N 0.81 0.06 -0.00 1.72 4.11 -1.32 0.48 114.58 120.43 3kh5 h GLU 226 Ca 0.56 -0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.84 3kh5 h GLU 226 Cb 0.82 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3kh5 h GLU 226 CO -0.36 0.04 -0.71 0.93 0.07 0.00 0.00 179.01 178.98 3kh5 h GLU 227 N 0.06 0.03 0.00 1.06 4.39 -1.41 -3.38 114.58 115.32 3kh5 h GLU 227 Ca 0.36 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3kh5 h GLU 227 Cb 1.35 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 3kh5 h GLU 227 CO -0.03 0.72 -0.24 0.44 -1.16 0.00 0.00 179.01 178.75 3kh5 n ILE 228 N -3.71 0.00 -1.19 3.13 -5.35 -0.46 -5.07 119.36 106.71 3kh5 n ILE 228 Ca -0.01 -0.28 -0.32 0.00 -0.27 0.00 0.00 62.75 61.87 3kh5 n ILE 228 Cb 0.69 0.82 0.11 0.00 -1.74 0.00 0.00 39.64 39.52 3kh5 n ILE 228 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kh5 s MET 229 N -1.03 1.90 -0.35 6.28 0.23 0.16 -4.99 119.30 121.49 3kh5 s MET 229 Ca 0.00 1.47 -0.21 0.00 -1.03 0.00 0.00 55.69 55.92 3kh5 s MET 229 Cb 0.00 -1.83 0.00 0.00 -1.53 0.00 0.00 34.83 31.47 3kh5 s MET 229 CO 0.00 -1.96 0.67 0.21 -2.03 0.00 0.00 175.02 171.91 3kh5 s LYS 230 N -4.45 3.71 0.14 3.16 2.47 -0.55 -4.94 119.74 119.28 3kh5 s LYS 230 Ca 0.67 0.14 0.04 0.00 -1.56 0.00 0.00 55.97 55.25 3kh5 s LYS 230 Cb -0.22 -3.80 -0.10 0.00 -1.46 0.00 0.00 37.83 32.24 3kh5 s LYS 230 CO 0.52 -0.75 1.32 0.00 0.16 0.00 0.00 175.35 176.60 3kh5 h ARG 231 N 8.44 0.12 -4.43 4.03 3.08 -1.86 0.54 114.38 124.29 3kh5 h ARG 231 Ca -0.26 -0.16 -0.73 0.00 0.07 0.00 0.00 59.98 58.91 3kh5 h ARG 231 Cb 1.11 0.05 -0.23 0.00 0.08 0.00 0.00 29.97 30.98 3kh5 h ARG 231 CO 0.85 0.99 -0.41 -0.51 -1.07 0.00 0.00 179.97 179.82 3kh5 s ASP 232 N -6.88 6.03 -0.09 7.04 1.01 -1.26 -4.16 116.67 118.36 3kh5 s ASP 232 Ca -0.01 -1.13 -0.02 0.00 0.71 0.00 0.00 52.55 52.09 3kh5 s ASP 232 Cb 0.10 -2.14 -0.03 0.00 1.01 0.00 0.00 42.92 41.86 3kh5 s ASP 232 CO 0.83 -0.53 0.01 -0.69 0.21 0.00 0.00 175.17 175.00 3kh5 s VAL 233 N 1.63 4.35 -0.25 -1.27 1.01 -1.26 -4.99 120.40 119.62 3kh5 s VAL 233 Ca 0.04 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 3kh5 s VAL 233 Cb -0.21 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.33 3kh5 s VAL 233 CO 0.08 0.60 0.99 -0.63 0.00 0.00 0.00 175.10 176.13 3kh5 s ILE 234 N -0.80 4.70 0.31 2.22 1.01 -1.26 -5.04 121.20 122.35 3kh5 s ILE 234 Ca 0.12 1.86 0.10 0.00 0.00 0.00 0.00 60.65 62.73 3kh5 s ILE 234 Cb -0.11 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 3kh5 s ILE 234 CO 0.02 -0.20 -0.09 0.42 0.00 0.00 0.00 174.94 175.10 3kh5 s THR 235 N 3.17 2.58 0.43 2.92 -4.23 -1.26 -4.18 115.64 115.07 3kh5 s THR 235 Ca 0.42 -2.17 0.07 0.00 -1.18 0.00 0.00 61.69 58.82 3kh5 s THR 235 Cb -0.15 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 3kh5 s THR 235 CO 0.08 -0.29 0.20 0.00 -0.54 0.00 0.00 174.62 174.07 3kh5 s ALA 236 N -2.52 3.72 0.03 3.99 0.00 -0.08 -4.95 121.76 121.95 3kh5 s ALA 236 Ca 0.32 -1.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.30 3kh5 s ALA 236 Cb -0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3kh5 s ALA 236 CO 0.17 -0.19 0.09 -1.59 0.00 0.00 0.00 175.76 174.24 3kh5 s LYS 237 N -3.95 0.53 0.26 0.00 -2.85 -1.26 -1.12 119.74 111.35 3kh5 s LYS 237 Ca 0.39 -0.67 -0.30 0.00 -1.00 0.00 0.00 55.97 54.39 3kh5 s LYS 237 Cb 0.03 0.21 -0.14 0.00 -2.06 0.00 0.00 37.83 35.87 3kh5 s LYS 237 CO 0.22 -0.13 1.26 0.39 0.10 0.00 0.00 175.35 177.19 3kh5 n GLU 238 N 1.00 1.77 0.00 1.78 1.02 -1.26 -1.81 120.64 123.14 3kh5 n GLU 238 Ca -0.20 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 3kh5 n GLU 238 Cb 0.57 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 3kh5 n GLU 238 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kh5 n GLY 239 N 1.63 3.35 3.75 0.62 0.00 -1.26 -5.07 105.19 108.22 3kh5 n GLY 239 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3kh5 n GLY 239 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kh5 s ASP 240 N -0.89 5.29 0.24 1.61 1.01 -0.75 -4.81 116.67 118.37 3kh5 s ASP 240 Ca 0.00 2.54 -0.30 0.00 0.71 0.00 0.00 52.55 55.50 3kh5 s ASP 240 Cb 0.00 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 3kh5 s ASP 240 CO 0.00 -1.53 1.05 -0.54 0.21 0.00 0.00 175.17 174.35 3kh5 s LYS 241 N -3.09 4.70 0.23 8.23 -0.14 -1.26 -1.52 119.74 126.90 3kh5 s LYS 241 Ca 0.74 1.68 -0.07 0.00 -1.36 0.00 0.00 55.97 56.96 3kh5 s LYS 241 Cb -0.35 -3.24 0.22 0.00 -1.68 0.00 0.00 37.83 32.78 3kh5 s LYS 241 CO 0.39 0.28 1.90 1.25 -0.76 0.00 0.00 175.35 178.41 3kh5 h LEU 242 N 4.23 1.07 -0.77 3.17 5.85 -1.28 -2.26 115.31 125.32 3kh5 h LEU 242 Ca -0.46 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.16 3kh5 h LEU 242 Cb 1.21 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3kh5 h LEU 242 CO 0.68 0.80 0.21 0.50 -0.34 0.00 0.00 178.44 180.29 3kh5 h LYS 243 N 1.25 1.13 -0.03 1.25 3.64 -1.82 0.91 116.57 122.90 3kh5 h LYS 243 Ca 0.33 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3kh5 h LYS 243 Cb -0.11 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.55 3kh5 h LYS 243 CO -0.07 0.97 0.02 -0.22 -2.27 0.00 0.00 179.45 177.88 3kh5 h LYS 244 N 1.08 0.04 0.09 1.90 3.64 -1.84 -1.06 116.57 120.41 3kh5 h LYS 244 Ca 0.23 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3kh5 h LYS 244 Cb 0.33 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3kh5 h LYS 244 CO -0.00 0.09 -0.04 0.82 -2.27 0.00 0.00 179.45 178.05 3kh5 h ILE 245 N -0.03 0.92 -0.88 2.00 1.08 -1.21 -1.23 117.51 118.16 3kh5 h ILE 245 Ca 0.01 -0.01 0.14 0.00 -0.39 0.00 0.00 64.86 64.61 3kh5 h ILE 245 Cb 0.07 0.92 -0.09 0.00 -3.07 0.00 0.00 36.82 34.65 3kh5 h ILE 245 CO -0.00 0.00 0.49 0.00 -0.69 0.00 0.00 178.15 177.95 3kh5 h ALA 246 N 0.79 1.33 -0.47 1.87 0.00 -0.80 -1.86 119.26 120.12 3kh5 h ALA 246 Ca -0.01 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3kh5 h ALA 246 Cb 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kh5 h ALA 246 CO 0.02 -0.00 0.02 1.49 0.00 0.00 0.00 179.25 180.78 3kh5 h GLU 247 N 0.73 0.81 -0.54 0.00 4.81 -0.85 -2.39 114.58 117.15 3kh5 h GLU 247 Ca 0.46 -0.25 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 3kh5 h GLU 247 Cb 0.59 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 3kh5 h GLU 247 CO -0.32 0.85 0.26 0.82 -0.73 0.00 0.00 179.01 179.89 3kh5 h ILE 248 N 0.67 0.93 0.11 2.32 2.04 -0.58 -1.47 117.51 121.53 3kh5 h ILE 248 Ca 0.14 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3kh5 h ILE 248 Cb 0.47 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3kh5 h ILE 248 CO 0.02 0.09 -0.06 0.24 0.00 0.00 0.00 178.15 178.44 3kh5 h MET 249 N 0.50 -0.16 -0.01 2.37 2.86 -1.21 -2.69 114.93 116.58 3kh5 h MET 249 Ca 0.24 0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.76 3kh5 h MET 249 Cb 0.18 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3kh5 h MET 249 CO -0.18 -0.11 -0.61 0.28 1.06 0.00 0.00 176.91 177.35 3kh5 h VAL 250 N -0.17 1.43 -0.01 -2.22 2.07 -1.31 -0.29 116.25 115.76 3kh5 h VAL 250 Ca -0.01 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.43 3kh5 h VAL 250 Cb 0.14 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3kh5 h VAL 250 CO 0.01 0.60 -0.22 0.35 0.02 0.00 0.00 177.57 178.33 3kh5 n THR 251 N -3.82 0.00 -0.13 2.57 -2.24 -0.56 -3.99 114.28 106.10 3kh5 n THR 251 Ca -0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3kh5 n THR 251 Cb 0.61 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 3kh5 n THR 251 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kh5 n ASN 252 N -0.89 1.09 -3.99 3.42 3.02 -1.02 -5.01 115.26 111.88 3kh5 n ASN 252 Ca 0.12 -1.23 -0.26 0.00 -0.03 0.00 0.00 54.58 53.18 3kh5 n ASN 252 Cb 0.32 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 3kh5 n ASN 252 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kh5 n ASP 253 N -0.11 -0.48 -4.42 6.41 8.00 -0.21 -4.98 116.55 120.76 3kh5 n ASP 253 Ca 0.00 -1.02 -0.31 0.00 0.71 0.00 0.00 54.79 54.17 3kh5 n ASP 253 Cb 0.10 -2.96 -0.14 0.00 -0.02 0.00 0.00 41.12 38.11 3kh5 n ASP 253 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kh5 s ILE 254 N -3.93 2.61 -0.44 0.53 1.01 -0.68 -5.05 121.20 115.26 3kh5 s ILE 254 Ca 0.06 -1.12 0.12 0.00 0.00 0.00 0.00 60.65 59.71 3kh5 s ILE 254 Cb -0.03 -2.04 -0.14 0.00 0.01 0.00 0.00 42.46 40.25 3kh5 s ILE 254 CO 0.90 0.43 0.45 0.61 0.00 0.00 0.00 174.94 177.33 3kh5 n GLY 255 N 1.87 -0.23 3.15 6.18 0.00 -1.26 -4.51 105.19 110.39 3kh5 n GLY 255 Ca -0.16 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 3kh5 n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kh5 s ALA 256 N -2.30 -0.76 -0.14 4.61 0.00 -1.26 -1.43 121.76 120.48 3kh5 s ALA 256 Ca 0.02 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.15 3kh5 s ALA 256 Cb 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3kh5 s ALA 256 CO 0.50 -0.21 -0.20 -0.51 0.00 0.00 0.00 175.76 175.34 3kh5 s LEU 257 N 1.09 2.24 0.33 0.00 1.02 -0.46 -4.99 118.68 117.91 3kh5 s LEU 257 Ca -0.08 -0.55 -0.29 0.00 0.02 0.00 0.00 54.13 53.24 3kh5 s LEU 257 Cb -0.08 -1.48 -0.11 0.00 0.02 0.00 0.00 46.19 44.54 3kh5 s LEU 257 CO -0.08 0.09 1.44 -2.84 0.02 0.00 0.00 176.35 174.98 3kh5 s PRO 258 N 0.75 4.20 -0.25 1.29 0.02 -1.26 -1.51 135.00 138.25 3kh5 s PRO 258 Ca -0.08 2.43 -0.13 0.00 0.02 0.00 0.00 61.00 63.24 3kh5 s PRO 258 Cb -0.16 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 3kh5 s PRO 258 CO -0.00 -0.43 0.28 0.08 -0.33 0.00 0.00 177.00 176.60 3kh5 s VAL 259 N -0.81 5.26 0.22 3.83 1.01 0.21 -0.90 120.40 129.22 3kh5 s VAL 259 Ca 0.54 0.41 0.07 0.00 0.00 0.00 0.00 61.98 63.00 3kh5 s VAL 259 Cb -0.44 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3kh5 s VAL 259 CO 0.55 0.25 -0.11 0.68 0.00 0.00 0.00 175.10 176.48 3kh5 s VAL 260 N 1.52 1.59 1.01 2.92 -7.23 -0.28 0.09 120.40 120.02 3kh5 s VAL 260 Ca 0.12 -2.16 -0.13 0.00 -1.81 0.00 0.00 61.98 58.00 3kh5 s VAL 260 Cb -0.15 -2.13 0.19 0.00 0.56 0.00 0.00 36.38 34.85 3kh5 s VAL 260 CO 0.08 -0.53 1.11 -1.81 -0.31 0.00 0.00 175.10 173.64 3kh5 s ASP 261 N -3.33 2.57 0.49 4.85 -0.00 0.61 -4.52 116.67 117.35 3kh5 s ASP 261 Ca 0.24 1.03 0.27 0.00 -0.00 0.00 0.00 52.55 54.10 3kh5 s ASP 261 Cb 0.01 -1.62 1.24 0.00 -0.00 0.00 0.00 42.92 42.55 3kh5 s ASP 261 CO 0.07 -3.15 1.96 -0.08 -0.00 0.00 0.00 175.17 173.97 3kh5 h GLU 262 N -1.91 0.00 -0.17 8.23 4.57 -1.99 -2.16 114.58 121.16 3kh5 h GLU 262 Ca -0.53 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3kh5 h GLU 262 Cb 1.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 3kh5 h GLU 262 CO 0.56 0.15 0.00 0.09 -1.18 0.00 0.00 179.01 178.63 3kh5 n ASN 263 N -3.42 1.86 -0.36 1.04 4.13 -1.26 -4.94 115.26 112.31 3kh5 n ASN 263 Ca -0.01 -1.72 -0.05 0.00 1.68 0.00 0.00 54.58 54.49 3kh5 n ASN 263 Cb 0.33 -0.10 -0.02 0.00 -1.54 0.00 0.00 39.78 38.45 3kh5 n ASN 263 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3kh5 n LEU 264 N 0.45 -0.32 -4.77 3.41 4.77 -0.81 -4.90 117.00 114.83 3kh5 n LEU 264 Ca 0.17 0.12 -0.38 0.00 -0.03 0.00 0.00 56.01 55.88 3kh5 n LEU 264 Cb 0.37 -1.09 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 3kh5 n LEU 264 CO 0.14 -0.27 0.78 -0.13 -1.33 0.00 0.00 177.39 176.58 3kh5 s ARG 265 N -2.25 4.33 -0.15 3.23 0.52 -1.26 -0.86 118.95 122.52 3kh5 s ARG 265 Ca 0.00 1.71 -0.27 0.00 -0.52 0.00 0.00 55.73 56.64 3kh5 s ARG 265 Cb 0.00 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 3kh5 s ARG 265 CO 0.00 -0.04 0.92 0.42 0.02 0.00 0.00 175.30 176.62 3kh5 s ILE 266 N -1.40 4.83 -0.75 1.52 -1.09 -1.24 -0.28 121.20 122.79 3kh5 s ILE 266 Ca 0.52 1.83 0.18 0.00 -2.23 0.00 0.00 60.65 60.95 3kh5 s ILE 266 Cb -0.28 -4.22 -0.21 0.00 -1.58 0.00 0.00 42.46 36.16 3kh5 s ILE 266 CO 0.36 0.00 0.73 0.29 -1.23 0.00 0.00 174.94 175.09 3kh5 n LYS 267 N 5.22 0.86 -3.83 2.79 4.76 0.11 -4.96 118.16 123.11 3kh5 n LYS 267 Ca 0.07 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3kh5 n LYS 267 Cb 0.49 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 3kh5 n LYS 267 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kh5 n GLY 268 N 1.43 -0.86 3.23 0.72 0.00 -1.16 -4.64 105.19 103.92 3kh5 n GLY 268 Ca 0.02 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 3kh5 n GLY 268 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kh5 s ILE 269 N -2.98 0.05 -0.02 -0.61 2.07 -0.55 -0.62 121.20 118.54 3kh5 s ILE 269 Ca 0.00 -0.41 0.02 0.00 -1.41 0.00 0.00 60.65 58.85 3kh5 s ILE 269 Cb 0.00 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 42.01 3kh5 s ILE 269 CO 0.00 -0.23 -0.08 -0.51 -1.91 0.00 0.00 174.94 172.21 3kh5 s ILE 270 N -1.09 0.72 0.38 2.00 2.07 -0.57 -0.90 121.20 123.81 3kh5 s ILE 270 Ca -0.12 -0.34 0.04 0.00 -1.41 0.00 0.00 60.65 58.82 3kh5 s ILE 270 Cb -0.05 -0.64 -0.04 0.00 0.13 0.00 0.00 42.46 41.86 3kh5 s ILE 270 CO 0.04 0.23 0.08 0.42 -1.91 0.00 0.00 174.94 173.79 3kh5 s THR 271 N 0.13 0.97 0.37 4.00 -4.23 -1.26 -1.36 115.64 114.25 3kh5 s THR 271 Ca -0.02 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.58 3kh5 s THR 271 Cb -0.07 -2.57 0.32 0.00 1.34 0.00 0.00 72.50 71.52 3kh5 s THR 271 CO 0.00 0.00 1.91 -0.33 -0.54 0.00 0.00 174.62 175.66 3kh5 h GLU 272 N 1.91 0.65 -0.74 3.99 5.08 -1.60 -0.98 114.58 122.89 3kh5 h GLU 272 Ca -0.39 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 3kh5 h GLU 272 Cb 1.26 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 3kh5 h GLU 272 CO 0.65 0.43 0.25 -0.22 -1.00 0.00 0.00 179.01 179.12 3kh5 h LYS 273 N 0.67 1.15 -0.67 2.33 3.64 -1.96 -2.10 116.57 119.62 3kh5 h LYS 273 Ca 0.38 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3kh5 h LYS 273 Cb 0.56 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3kh5 h LYS 273 CO -0.15 0.96 0.27 -0.44 -2.27 0.00 0.00 179.45 177.82 3kh5 h ASP 274 N 1.10 0.93 -0.67 4.20 3.32 -1.54 -2.66 116.42 121.10 3kh5 h ASP 274 Ca 0.24 -0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.18 3kh5 h ASP 274 Cb 0.28 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 3kh5 h ASP 274 CO -0.01 0.84 0.37 0.58 -1.72 0.00 0.00 179.24 179.30 3kh5 h VAL 275 N 0.95 0.97 0.00 -1.35 2.07 -1.04 -1.92 116.25 115.92 3kh5 h VAL 275 Ca 0.22 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3kh5 h VAL 275 Cb 0.21 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3kh5 h VAL 275 CO -0.02 0.12 0.00 0.18 0.02 0.00 0.00 177.57 177.88 3kh5 n LEU 276 N -4.79 0.53 0.20 2.57 4.77 -0.81 -1.72 117.00 117.75 3kh5 n LEU 276 Ca 0.08 0.67 0.14 0.00 -0.03 0.00 0.00 56.01 56.88 3kh5 n LEU 276 Cb 0.17 -0.66 0.63 0.00 -2.33 0.00 0.00 43.42 41.24 3kh5 n LEU 276 CO 0.29 -0.67 0.93 0.11 -1.33 0.00 0.00 177.39 176.72 3kh5 h LYS 277 N 0.00 0.00 -0.89 3.23 1.57 -1.21 -1.86 116.57 117.41 3kh5 h LYS 277 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3kh5 h LYS 277 Cb 0.20 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 3kh5 h LYS 277 CO 0.00 0.00 0.58 -0.92 -0.57 0.00 0.00 179.45 178.54 3kh5 h TYR 278 N 0.00 1.01 -0.64 -1.35 3.20 -1.48 -2.75 116.97 114.96 3kh5 h TYR 278 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3kh5 h TYR 278 Cb 0.34 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3kh5 h TYR 278 CO 0.00 0.52 0.00 1.19 -1.64 0.00 0.00 178.16 178.23 3kh5 n PHE 279 N -4.50 1.14 1.53 -3.82 3.72 -0.70 -5.17 117.46 109.67 3kh5 n PHE 279 Ca 0.14 -0.50 0.12 0.00 -0.05 0.00 0.00 57.45 57.16 3kh5 n PHE 279 Cb 0.22 -0.11 0.73 0.00 -0.94 0.00 0.00 39.48 39.37 3kh5 n PHE 279 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71