#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cd6 s HIS 2 N 0.00 3.01 -0.37 1.12 3.76 0.13 -4.27 115.29 118.67 3cd6 s HIS 2 Ca 0.00 -0.04 -0.05 0.00 -0.15 0.00 0.00 55.06 54.82 3cd6 s HIS 2 Cb 0.00 -1.50 0.08 0.00 1.11 0.00 0.00 32.58 32.27 3cd6 s HIS 2 CO 0.00 0.50 0.15 0.00 -0.85 0.00 0.00 174.74 174.55 3cd6 s ALA 3 N -1.52 3.09 0.11 -1.40 0.00 -0.05 -0.31 121.76 121.68 3cd6 s ALA 3 Ca 0.28 -2.13 -0.24 0.00 0.00 0.00 0.00 51.96 49.87 3cd6 s ALA 3 Cb -0.11 -2.34 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 3cd6 s ALA 3 CO 0.20 -1.57 0.72 -0.51 0.00 0.00 0.00 175.76 174.60 3cd6 s LEU 4 N 1.28 4.54 -0.07 0.00 1.43 -0.35 -3.49 118.68 122.02 3cd6 s LEU 4 Ca 0.02 1.49 -0.02 0.00 -1.03 0.00 0.00 54.13 54.60 3cd6 s LEU 4 Cb -0.22 -3.17 0.03 0.00 0.03 0.00 0.00 46.19 42.86 3cd6 s LEU 4 CO -0.01 0.17 0.01 -0.69 0.23 0.00 0.00 176.35 176.07 3cd6 s VAL 5 N -0.84 0.30 -0.06 -1.59 1.01 -0.37 -1.69 120.40 117.17 3cd6 s VAL 5 Ca 0.35 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 3cd6 s VAL 5 Cb -0.21 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 3cd6 s VAL 5 CO 0.23 0.23 1.27 -1.58 0.00 0.00 0.00 175.10 175.25 3cd6 s GLN 6 N 2.00 4.31 -0.01 2.72 0.74 -1.00 -0.86 119.66 127.57 3cd6 s GLN 6 Ca 0.05 1.76 0.07 0.00 0.05 0.00 0.00 55.36 57.29 3cd6 s GLN 6 Cb -0.12 -3.60 -0.11 0.00 1.10 0.00 0.00 33.01 30.28 3cd6 s GLN 6 CO -0.05 -0.53 0.19 1.28 -0.55 0.00 0.00 175.29 175.63 3cd6 n LEU 7 N 5.49 0.06 -4.40 3.68 4.77 -0.35 -0.88 117.00 125.37 3cd6 n LEU 7 Ca 0.12 -0.09 -0.32 0.00 -0.03 0.00 0.00 56.01 55.69 3cd6 n LEU 7 Cb 0.45 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.40 3cd6 n LEU 7 CO 0.56 0.02 -0.50 -0.13 -1.33 0.00 0.00 177.39 176.01 3cd6 s ARG 8 N -2.36 2.44 1.34 3.23 0.52 -1.03 -4.90 118.95 118.19 3cd6 s ARG 8 Ca -0.02 -0.78 -0.22 0.00 -0.52 0.00 0.00 55.73 54.19 3cd6 s ARG 8 Cb 0.05 -2.27 0.34 0.00 0.52 0.00 0.00 34.95 33.59 3cd6 s ARG 8 CO 0.31 0.56 0.93 0.41 0.02 0.00 0.00 175.30 177.53 3cd6 n GLY 9 N 2.47 -3.49 0.12 -3.53 0.00 -1.26 -4.91 105.19 94.58 3cd6 n GLY 9 Ca -0.17 -1.37 0.01 0.00 0.00 0.00 0.00 46.02 44.49 3cd6 n GLY 9 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3cd6 h GLU 10 N 0.00 0.00 -6.41 1.61 4.11 -1.97 -3.43 114.58 108.49 3cd6 h GLU 10 Ca -0.39 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.50 3cd6 h GLU 10 Cb 1.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.53 3cd6 h GLU 10 CO 0.24 0.43 0.97 0.08 0.07 0.00 0.00 179.01 180.81 3cd6 s VAL 11 N -2.95 3.24 0.00 -1.06 1.01 -1.26 -1.92 120.40 117.47 3cd6 s VAL 11 Ca 0.01 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3cd6 s VAL 11 Cb 0.08 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3cd6 s VAL 11 CO 0.77 -0.01 0.00 0.59 0.00 0.00 0.00 175.10 176.46 3cd6 n ASN 12 N 5.72 0.00 -4.75 3.32 3.02 -1.26 -5.01 115.26 116.30 3cd6 n ASN 12 Ca 0.15 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.30 3cd6 n ASN 12 Cb 0.41 -0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 3cd6 n ASN 12 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3cd6 s MET 13 N -0.09 4.66 0.48 3.52 1.75 -0.81 -4.97 119.30 123.84 3cd6 s MET 13 Ca 0.00 1.75 -0.23 0.00 -1.25 0.00 0.00 55.69 55.96 3cd6 s MET 13 Cb 0.00 -3.21 -0.08 0.00 2.84 0.00 0.00 34.83 34.38 3cd6 s MET 13 CO 0.00 0.23 1.27 0.72 -0.65 0.00 0.00 175.02 176.59 3cd6 n HIS 14 N 1.42 2.06 -0.21 4.11 8.25 -1.26 -4.85 115.22 124.74 3cd6 n HIS 14 Ca -0.01 0.47 -0.08 0.00 -0.26 0.00 0.00 57.72 57.84 3cd6 n HIS 14 Cb 0.45 -2.35 0.02 0.00 1.12 0.00 0.00 29.99 29.24 3cd6 n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3cd6 h THR 15 N 1.71 1.25 0.00 1.59 2.02 -1.96 -1.37 112.91 116.14 3cd6 h THR 15 Ca -0.49 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 3cd6 h THR 15 Cb 1.30 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3cd6 h THR 15 CO 0.58 0.33 -0.06 -2.24 0.37 0.00 0.00 175.52 174.50 3cd6 h ASP 16 N 0.85 0.00 0.15 4.18 2.03 -1.99 -0.71 116.42 120.93 3cd6 h ASP 16 Ca 0.19 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.20 3cd6 h ASP 16 Cb 0.33 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.84 3cd6 h ASP 16 CO -0.00 0.06 -1.38 0.40 -1.03 0.00 0.00 179.24 177.28 3cd6 h ILE 17 N 0.00 1.13 -0.43 4.15 2.04 -1.86 -3.14 117.51 119.39 3cd6 h ILE 17 Ca -0.00 -2.49 -0.05 0.00 1.00 0.00 0.00 64.86 63.32 3cd6 h ILE 17 Cb 0.41 2.86 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 3cd6 h ILE 17 CO 0.01 0.75 0.04 -0.61 0.00 0.00 0.00 178.15 178.35 3cd6 h GLN 18 N -0.17 0.67 -0.32 2.37 4.15 -0.80 -2.22 115.11 118.80 3cd6 h GLN 18 Ca -0.28 -0.15 -0.12 0.00 0.77 0.00 0.00 58.65 58.87 3cd6 h GLN 18 Cb 1.86 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 29.44 3cd6 h GLN 18 CO 0.13 0.66 -0.30 -0.44 -1.93 0.00 0.00 178.83 176.95 3cd6 h ASP 19 N 0.65 0.69 -0.56 -0.69 3.32 -1.26 -2.33 116.42 116.23 3cd6 h ASP 19 Ca 0.14 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 3cd6 h ASP 19 Cb 0.34 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3cd6 h ASP 19 CO 0.01 0.95 0.10 0.74 -1.72 0.00 0.00 179.24 179.31 3cd6 h THR 20 N 0.57 1.25 -0.01 0.35 2.02 -1.39 -1.00 112.91 114.71 3cd6 h THR 20 Ca 0.07 -0.96 -0.06 0.00 0.77 0.00 0.00 66.41 66.24 3cd6 h THR 20 Cb 0.80 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3cd6 h THR 20 CO 0.07 0.35 -0.27 -0.07 0.37 0.00 0.00 175.52 175.97 3cd6 h LEU 21 N 0.81 0.01 -0.12 2.58 3.38 -1.19 -0.64 115.31 120.14 3cd6 h LEU 21 Ca 0.17 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3cd6 h LEU 21 Cb 0.40 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3cd6 h LEU 21 CO 0.01 0.28 -0.42 -0.33 0.09 0.00 0.00 178.44 178.06 3cd6 h GLU 22 N 0.01 0.00 0.00 1.13 5.08 -0.87 -0.08 114.58 119.86 3cd6 h GLU 22 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3cd6 h GLU 22 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3cd6 h GLU 22 CO 0.03 0.42 -0.62 0.52 -1.00 0.00 0.00 179.01 178.37 3cd6 h MET 23 N 0.00 0.00 -0.83 2.33 2.86 -0.11 -2.70 114.93 116.49 3cd6 h MET 23 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 3cd6 h MET 23 Cb 1.28 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.88 3cd6 h MET 23 CO 0.06 0.62 0.13 1.28 1.06 0.00 0.00 176.91 180.05 3cd6 n LEU 24 N -3.32 4.32 -1.93 1.22 4.77 -0.35 -4.89 117.00 116.82 3cd6 n LEU 24 Ca 0.01 -2.23 -0.17 0.00 -0.03 0.00 0.00 56.01 53.60 3cd6 n LEU 24 Cb 0.75 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3cd6 n LEU 24 CO 0.42 0.59 -0.19 0.59 -1.33 0.00 0.00 177.39 177.47 3cd6 n ASN 25 N 0.10 -4.66 -4.11 -1.43 3.02 -1.02 -4.79 115.26 102.38 3cd6 n ASN 25 Ca 0.23 0.26 -0.33 0.00 -0.03 0.00 0.00 54.58 54.71 3cd6 n ASN 25 Cb 0.95 -4.07 -0.14 0.00 -0.61 0.00 0.00 39.78 35.91 3cd6 n ASN 25 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3cd6 s ILE 26 N -2.62 2.59 -0.32 2.41 2.07 -0.05 -4.64 121.20 120.65 3cd6 s ILE 26 Ca 0.00 -1.69 0.18 0.00 -1.41 0.00 0.00 60.65 57.73 3cd6 s ILE 26 Cb 0.00 -2.59 -0.24 0.00 0.13 0.00 0.00 42.46 39.75 3cd6 s ILE 26 CO 0.00 -0.20 0.52 1.41 -1.91 0.00 0.00 174.94 174.76 3cd6 n HIS 27 N 4.49 0.00 -4.45 3.50 8.25 -1.26 -3.66 115.22 122.08 3cd6 n HIS 27 Ca -0.10 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.14 3cd6 n HIS 27 Cb 0.42 -0.26 -0.10 0.00 1.12 0.00 0.00 29.99 31.17 3cd6 n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3cd6 s HIS 28 N -3.02 1.93 0.51 4.41 3.76 -1.26 -5.06 115.29 116.56 3cd6 s HIS 28 Ca -0.02 -0.99 -0.20 0.00 -0.15 0.00 0.00 55.06 53.70 3cd6 s HIS 28 Cb 0.12 -1.26 -0.07 0.00 1.11 0.00 0.00 32.58 32.47 3cd6 s HIS 28 CO 0.73 -0.03 1.09 0.08 -0.85 0.00 0.00 174.74 175.76 3cd6 s VAL 29 N -3.30 3.47 0.00 -0.90 1.01 -1.26 -3.15 120.40 116.26 3cd6 s VAL 29 Ca 0.35 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3cd6 s VAL 29 Cb 0.08 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3cd6 s VAL 29 CO 0.15 -0.18 0.00 0.59 0.00 0.00 0.00 175.10 175.66 3cd6 n ASN 30 N -1.06 -0.95 -4.85 3.32 3.02 -0.06 -4.97 115.26 109.72 3cd6 n ASN 30 Ca 0.10 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.33 3cd6 n ASN 30 Cb 0.51 -1.37 -0.05 0.00 -0.61 0.00 0.00 39.78 38.26 3cd6 n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3cd6 s HIS 31 N -2.33 3.40 0.02 3.10 3.76 -1.19 -2.38 115.29 119.67 3cd6 s HIS 31 Ca 0.00 1.35 0.01 0.00 -0.15 0.00 0.00 55.06 56.27 3cd6 s HIS 31 Cb 0.00 -2.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.01 3cd6 s HIS 31 CO 0.00 -0.14 -0.04 0.00 -0.85 0.00 0.00 174.74 173.72 3cd6 s THR 33 N -0.81 1.22 -0.44 0.00 -1.32 -0.68 0.24 115.64 113.85 3cd6 s THR 33 Ca -0.07 -2.08 -0.06 0.00 -1.21 0.00 0.00 61.69 58.27 3cd6 s THR 33 Cb -0.06 -1.87 0.11 0.00 -1.51 0.00 0.00 72.50 69.17 3cd6 s THR 33 CO -0.00 -0.73 0.27 -0.76 -2.21 0.00 0.00 174.62 171.19 3cd6 s LEU 34 N -3.18 5.46 -0.21 9.08 1.43 -1.26 -1.21 118.68 128.78 3cd6 s LEU 34 Ca 0.17 -1.96 -0.10 0.00 -1.03 0.00 0.00 54.13 51.22 3cd6 s LEU 34 Cb 0.02 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 3cd6 s LEU 34 CO 0.01 -0.62 0.13 0.54 0.23 0.00 0.00 176.35 176.64 3cd6 s VAL 35 N 1.26 5.22 0.73 -1.59 0.11 0.58 -4.95 120.40 121.76 3cd6 s VAL 35 Ca 0.07 0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 59.12 3cd6 s VAL 35 Cb -0.24 -3.40 0.04 0.00 -1.53 0.00 0.00 36.38 31.24 3cd6 s VAL 35 CO -0.02 0.40 1.11 -2.84 -3.33 0.00 0.00 175.10 170.42 3cd6 s PRO 36 N 0.70 2.40 -1.12 1.54 0.02 -1.26 0.22 135.00 137.49 3cd6 s PRO 36 Ca 0.07 1.33 -0.12 0.00 0.02 0.00 0.00 61.00 62.30 3cd6 s PRO 36 Cb -0.12 -1.90 0.22 0.00 0.02 0.00 0.00 34.50 32.71 3cd6 s PRO 36 CO 0.01 -1.56 1.23 -1.21 -0.33 0.00 0.00 177.00 175.14 3cd6 s GLU 37 N -4.47 4.09 0.45 5.54 2.02 -1.26 -4.73 118.70 120.34 3cd6 s GLU 37 Ca 0.65 -2.83 0.05 0.00 0.02 0.00 0.00 54.97 52.87 3cd6 s GLU 37 Cb -0.20 -4.78 -0.05 0.00 0.10 0.00 0.00 34.13 29.20 3cd6 s GLU 37 CO 0.49 -1.49 0.06 0.99 0.02 0.00 0.00 175.26 175.33 3cd6 s THR 38 N 0.23 1.81 0.07 3.63 2.01 -1.26 -4.94 115.64 117.20 3cd6 s THR 38 Ca 0.35 -1.91 -0.22 0.00 0.31 0.00 0.00 61.69 60.21 3cd6 s THR 38 Cb -0.07 -2.73 -0.13 0.00 0.01 0.00 0.00 72.50 69.59 3cd6 s THR 38 CO -0.05 0.00 1.62 0.44 -0.69 0.00 0.00 174.62 175.94 3cd6 h ASP 39 N 1.54 0.12 -0.77 3.53 5.19 -1.99 -1.29 116.42 122.74 3cd6 h ASP 39 Ca -0.43 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 55.83 3cd6 h ASP 39 Cb 1.27 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.71 3cd6 h ASP 39 CO 0.76 0.23 0.46 0.00 -3.12 0.00 0.00 179.24 177.57 3cd6 h ALA 40 N 0.89 0.98 0.00 3.45 0.00 -1.98 -2.51 119.26 120.09 3cd6 h ALA 40 Ca 0.03 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3cd6 h ALA 40 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3cd6 h ALA 40 CO -0.00 0.45 -0.68 1.88 0.00 0.00 0.00 179.25 180.89 3cd6 h TYR 41 N 1.05 0.00 -0.17 0.00 0.99 -1.85 -3.13 116.97 113.86 3cd6 h TYR 41 Ca 0.28 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.87 3cd6 h TYR 41 Cb -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.68 3cd6 h TYR 41 CO -0.01 0.68 -0.47 -0.09 -0.00 0.00 0.00 178.16 178.27 3cd6 h ARG 42 N 0.00 0.43 -0.10 4.88 2.43 -0.87 -2.45 114.38 118.69 3cd6 h ARG 42 Ca -0.01 -0.24 -0.12 0.00 -0.81 0.00 0.00 59.98 58.81 3cd6 h ARG 42 Cb 1.25 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3cd6 h ARG 42 CO 0.09 0.81 -0.46 0.78 -1.51 0.00 0.00 179.97 179.68 3cd6 h GLY 43 N 1.17 0.27 0.97 2.80 0.00 -1.45 -2.80 103.07 104.04 3cd6 h GLY 43 Ca 0.02 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 3cd6 h GLY 43 CO 0.08 0.25 -0.38 -0.33 0.00 0.00 0.00 176.54 176.17 3cd6 h MET 44 N 0.20 0.67 0.00 4.80 2.86 -1.45 -3.02 114.93 118.99 3cd6 h MET 44 Ca 0.01 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 3cd6 h MET 44 Cb 0.90 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 3cd6 h MET 44 CO 0.07 1.03 -0.07 -0.39 1.06 0.00 0.00 176.91 178.61 3cd6 h VAL 45 N 0.39 0.15 -0.00 -2.22 -1.51 -1.42 -2.77 116.25 108.86 3cd6 h VAL 45 Ca 0.02 -0.88 -0.18 0.00 -1.23 0.00 0.00 66.70 64.43 3cd6 h VAL 45 Cb 0.97 1.77 -0.02 0.00 -2.13 0.00 0.00 31.29 31.88 3cd6 h VAL 45 CO 0.09 0.07 -0.82 0.00 -1.23 0.00 0.00 177.57 175.67 3cd6 h ALA 46 N 1.93 0.62 0.00 5.19 0.00 -1.47 -0.90 119.26 124.62 3cd6 h ALA 46 Ca -0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 3cd6 h ALA 46 Cb 0.76 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3cd6 h ALA 46 CO 0.01 0.93 -0.70 -0.22 0.00 0.00 0.00 179.25 179.27 3cd6 h LYS 47 N 0.07 0.00 -0.00 0.00 3.64 -1.39 -3.20 116.57 115.69 3cd6 h LYS 47 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3cd6 h LYS 47 Cb 1.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3cd6 h LYS 47 CO 0.12 0.70 -0.74 0.28 -2.27 0.00 0.00 179.45 177.54 3cd6 n VAL 48 N -3.44 0.00 -0.23 2.00 0.31 -1.06 -4.66 118.33 111.24 3cd6 n VAL 48 Ca 0.00 -0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 3cd6 n VAL 48 Cb 0.76 0.62 0.19 0.00 -0.91 0.00 0.00 33.84 34.50 3cd6 n VAL 48 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3cd6 n ASN 49 N -1.48 -0.08 -0.02 4.52 2.85 -0.35 -1.39 115.26 119.30 3cd6 n ASN 49 Ca 0.05 1.12 0.15 0.00 -0.11 0.00 0.00 54.58 55.79 3cd6 n ASN 49 Cb 0.33 -0.41 0.80 0.00 1.24 0.00 0.00 39.78 41.74 3cd6 n ASN 49 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3cd6 n ASP 50 N -4.88 0.07 0.00 1.20 8.00 -1.26 -2.62 116.55 117.06 3cd6 n ASP 50 Ca 0.15 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.19 3cd6 n ASP 50 Cb 0.50 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 3cd6 n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3cd6 n PHE 51 N -1.14 0.00 -4.63 1.24 3.01 -0.49 -4.91 117.46 110.54 3cd6 n PHE 51 Ca 0.17 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.34 3cd6 n PHE 51 Cb 0.21 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.59 3cd6 n PHE 51 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3cd6 s VAL 52 N -0.13 1.69 -0.17 -4.37 0.11 -1.10 -1.21 120.40 115.22 3cd6 s VAL 52 Ca 0.00 -1.97 -0.04 0.00 -2.93 0.00 0.00 61.98 57.04 3cd6 s VAL 52 Cb 0.00 -2.67 0.06 0.00 -1.53 0.00 0.00 36.38 32.24 3cd6 s VAL 52 CO 0.00 0.00 0.07 0.00 -3.33 0.00 0.00 175.10 171.84 3cd6 s ALA 53 N -2.77 0.61 0.37 1.54 0.00 -0.04 -1.31 121.76 120.16 3cd6 s ALA 53 Ca 0.24 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 51.84 3cd6 s ALA 53 Cb 0.06 -1.06 -0.07 0.00 0.00 0.00 0.00 23.12 22.05 3cd6 s ALA 53 CO 0.13 -1.14 0.04 -0.59 0.00 0.00 0.00 175.76 174.19 3cd6 s PHE 54 N 2.05 2.19 0.00 0.00 -0.12 -0.91 -1.24 117.98 119.96 3cd6 s PHE 54 Ca 0.01 -0.85 0.00 0.00 -0.05 0.00 0.00 56.93 56.05 3cd6 s PHE 54 Cb -0.16 -1.50 0.00 0.00 -0.63 0.00 0.00 43.02 40.73 3cd6 s PHE 54 CO -0.08 0.19 0.00 0.41 -0.05 0.00 0.00 175.22 175.69 3cd6 n GLY 55 N -0.83 3.37 3.67 1.99 0.00 -1.23 -0.51 105.19 111.65 3cd6 n GLY 55 Ca -0.04 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 3cd6 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cd6 s GLU 56 N -2.25 4.30 0.49 1.61 2.12 -1.26 -0.87 118.70 122.84 3cd6 s GLU 56 Ca 0.00 1.42 -0.06 0.00 0.36 0.00 0.00 54.97 56.69 3cd6 s GLU 56 Cb 0.00 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 3cd6 s GLU 56 CO 0.00 -0.56 0.81 -1.25 -0.54 0.00 0.00 175.26 173.72 3cd6 s PRO 57 N 2.93 3.55 0.48 4.30 0.04 -1.26 -4.32 135.00 140.71 3cd6 s PRO 57 Ca 0.47 0.25 -0.19 0.00 0.04 0.00 0.00 61.00 61.58 3cd6 s PRO 57 Cb -0.17 -2.35 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 3cd6 s PRO 57 CO 0.11 -0.24 0.97 -1.54 0.04 0.00 0.00 177.00 176.34 3cd6 s SER 58 N -4.10 6.73 0.31 6.66 1.04 -1.26 -4.89 113.70 118.20 3cd6 s SER 58 Ca 0.48 1.65 0.06 0.00 0.48 0.00 0.00 55.95 58.62 3cd6 s SER 58 Cb -0.10 -2.53 0.74 0.00 0.10 0.00 0.00 66.02 64.23 3cd6 s SER 58 CO 0.46 -0.51 1.80 -0.61 0.98 0.00 0.00 173.24 175.35 3cd6 h GLN 59 N 1.39 0.75 -0.42 4.02 5.75 -1.97 -0.79 115.11 123.83 3cd6 h GLN 59 Ca -0.48 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 57.89 3cd6 h GLN 59 Cb 1.19 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 3cd6 h GLN 59 CO 0.61 0.50 -0.08 1.49 -2.65 0.00 0.00 178.83 178.69 3cd6 h GLU 60 N 0.77 0.80 -0.28 1.69 4.81 -1.99 -2.16 114.58 118.23 3cd6 h GLU 60 Ca 0.55 -0.30 -0.17 0.00 -0.13 0.00 0.00 59.36 59.31 3cd6 h GLU 60 Cb 0.85 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3cd6 h GLU 60 CO -0.33 0.92 -0.51 1.15 -0.73 0.00 0.00 179.01 179.51 3cd6 h THR 61 N 0.63 1.28 -0.35 0.32 2.02 -1.74 -2.32 112.91 112.76 3cd6 h THR 61 Ca 0.11 -1.69 -0.04 0.00 0.77 0.00 0.00 66.41 65.55 3cd6 h THR 61 Cb 0.61 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 3cd6 h THR 61 CO 0.04 0.55 0.03 0.25 0.37 0.00 0.00 175.52 176.76 3cd6 h LEU 62 N 0.60 0.49 -0.75 2.58 5.85 -1.15 -1.45 115.31 121.48 3cd6 h LEU 62 Ca 0.02 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 3cd6 h LEU 62 Cb 1.11 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3cd6 h LEU 62 CO 0.11 0.54 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.28 3cd6 h GLU 63 N 0.51 0.81 -0.30 1.25 5.08 -1.22 -0.33 114.58 120.38 3cd6 h GLU 63 Ca 0.11 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 3cd6 h GLU 63 Cb 0.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3cd6 h GLU 63 CO 0.00 0.90 -0.20 1.15 -1.00 0.00 0.00 179.01 179.87 3cd6 h THR 64 N 0.72 1.30 -0.42 1.13 2.02 -0.82 -2.47 112.91 114.37 3cd6 h THR 64 Ca 0.11 -1.33 -0.08 0.00 0.77 0.00 0.00 66.41 65.88 3cd6 h THR 64 Cb 0.64 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3cd6 h THR 64 CO 0.04 0.43 -0.05 0.58 0.37 0.00 0.00 175.52 176.89 3cd6 h VAL 65 N 0.42 1.27 -0.12 3.16 2.07 -1.11 -2.48 116.25 119.46 3cd6 h VAL 65 Ca 0.06 -1.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.36 3cd6 h VAL 65 Cb 0.74 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3cd6 h VAL 65 CO 0.05 0.38 -0.37 -0.07 0.02 0.00 0.00 177.57 177.59 3cd6 h LEU 66 N 0.61 0.26 -0.51 2.57 3.38 -1.07 0.29 115.31 120.84 3cd6 h LEU 66 Ca 0.11 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3cd6 h LEU 66 Cb 0.56 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3cd6 h LEU 66 CO 0.03 0.61 -0.35 0.00 0.09 0.00 0.00 178.44 178.82 3cd6 h ALA 67 N 1.40 0.69 0.02 1.53 0.00 -1.29 -2.85 119.26 118.76 3cd6 h ALA 67 Ca 0.02 -0.44 -0.36 0.00 0.00 0.00 0.00 54.91 54.14 3cd6 h ALA 67 Cb 0.75 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3cd6 h ALA 67 CO 0.06 0.67 -2.24 -2.37 0.00 0.00 0.00 179.25 175.37 3cd6 n THR 68 N -4.06 1.54 0.41 0.00 5.66 -0.95 -4.60 114.28 112.29 3cd6 n THR 68 Ca -0.01 -0.71 0.04 0.00 -3.05 0.00 0.00 64.05 60.32 3cd6 n THR 68 Cb 0.52 -1.13 -0.04 0.00 -1.55 0.00 0.00 70.33 68.13 3cd6 n THR 68 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3cd6 n ARG 69 N -3.11 3.66 -2.54 1.09 5.12 0.10 -5.02 116.66 115.96 3cd6 n ARG 69 Ca -0.35 -0.13 -0.36 0.00 -1.93 0.00 0.00 57.85 55.08 3cd6 n ARG 69 Cb 1.06 -0.95 -0.04 0.00 -1.16 0.00 0.00 32.46 31.38 3cd6 n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3cd6 s ALA 70 N -1.71 3.07 0.14 7.54 0.00 -1.08 -4.00 121.76 125.72 3cd6 s ALA 70 Ca 0.04 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.74 3cd6 s ALA 70 Cb 0.07 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 3cd6 s ALA 70 CO 0.33 -0.23 -0.08 -1.21 0.00 0.00 0.00 175.76 174.57 3cd6 s GLU 71 N -2.55 1.01 1.11 0.00 2.02 -1.26 -4.27 118.70 114.76 3cd6 s GLU 71 Ca 0.59 -1.43 -0.17 0.00 0.02 0.00 0.00 54.97 53.97 3cd6 s GLU 71 Cb -0.22 -0.50 0.25 0.00 0.10 0.00 0.00 34.13 33.76 3cd6 s GLU 71 CO 0.27 0.04 1.16 -2.14 0.02 0.00 0.00 175.26 174.61 3cd6 s PRO 72 N -3.78 -0.47 0.30 0.39 0.02 -1.26 -1.18 135.00 129.02 3cd6 s PRO 72 Ca 0.16 -0.07 0.03 0.00 0.02 0.00 0.00 61.00 61.14 3cd6 s PRO 72 Cb 0.03 -1.68 0.49 0.00 0.02 0.00 0.00 34.50 33.36 3cd6 s PRO 72 CO -0.00 -3.21 1.78 1.25 -0.33 0.00 0.00 177.00 176.48 3cd6 h LEU 73 N -2.22 0.47 -7.35 -5.54 5.85 -1.57 -3.09 115.31 101.86 3cd6 h LEU 73 Ca -0.46 -0.13 -0.27 0.00 0.84 0.00 0.00 57.88 57.85 3cd6 h LEU 73 Cb 1.29 -0.13 -0.34 0.00 0.37 0.00 0.00 40.66 41.85 3cd6 h LEU 73 CO 0.39 0.66 -0.63 -1.61 -0.34 0.00 0.00 178.44 176.91 3cd6 s GLU 74 N -4.66 0.05 0.00 1.25 2.02 -1.26 -4.79 118.70 111.31 3cd6 s GLU 74 Ca -0.07 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.38 3cd6 s GLU 74 Cb 0.14 -0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.13 3cd6 s GLU 74 CO 0.78 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.23 3cd6 n GLY 75 N 4.78 3.20 0.71 -1.39 0.00 -1.26 -4.90 105.19 106.33 3cd6 n GLY 75 Ca -0.15 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.08 3cd6 n GLY 75 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cd6 n ASP 76 N 0.00 2.46 -4.73 1.61 -0.08 -1.26 -4.40 116.55 110.15 3cd6 n ASP 76 Ca 0.00 -1.73 -0.42 0.00 -1.51 0.00 0.00 54.79 51.13 3cd6 n ASP 76 Cb 0.00 0.21 -0.01 0.00 2.34 0.00 0.00 41.12 43.66 3cd6 n ASP 76 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3cd6 n ALA 77 N 0.68 2.07 -2.03 -1.67 0.00 -1.26 -4.98 120.51 113.32 3cd6 n ALA 77 Ca 0.11 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.51 3cd6 n ALA 77 Cb 0.51 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 3cd6 n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cd6 s ASP 78 N 0.18 7.06 -0.63 0.00 -0.00 -1.26 -4.42 116.67 117.61 3cd6 s ASP 78 Ca 0.61 2.27 -0.17 0.00 -0.00 0.00 0.00 52.55 55.26 3cd6 s ASP 78 Cb -0.53 -2.61 0.14 0.00 -0.00 0.00 0.00 42.92 39.92 3cd6 s ASP 78 CO 0.55 -0.39 0.65 -0.69 -0.00 0.00 0.00 175.17 175.28 3cd6 s VAL 79 N -0.08 5.11 0.53 -1.27 1.01 -1.26 -4.76 120.40 119.68 3cd6 s VAL 79 Ca 0.53 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3cd6 s VAL 79 Cb -0.33 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.61 3cd6 s VAL 79 CO 0.37 -1.02 0.03 -0.90 0.00 0.00 0.00 175.10 173.58 3cd6 n ASP 80 N 5.50 3.42 -0.32 3.32 5.68 -1.26 -4.39 116.55 128.49 3cd6 n ASP 80 Ca -0.06 -3.29 0.07 0.00 -0.50 0.00 0.00 54.79 51.01 3cd6 n ASP 80 Cb 0.42 0.34 0.22 0.00 -1.14 0.00 0.00 41.12 40.97 3cd6 n ASP 80 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3cd6 h ASP 81 N 1.23 0.74 -0.37 -1.12 3.32 -1.94 -1.14 116.42 117.14 3cd6 h ASP 81 Ca -0.43 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.62 3cd6 h ASP 81 Cb 1.32 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 3cd6 h ASP 81 CO 0.72 0.37 0.04 -0.08 -1.72 0.00 0.00 179.24 178.57 3cd6 h GLU 82 N 0.82 0.71 -0.07 3.56 4.81 -1.97 0.50 114.58 122.95 3cd6 h GLU 82 Ca 0.47 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 3cd6 h GLU 82 Cb 0.54 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3cd6 h GLU 82 CO -0.30 0.70 -0.10 2.35 -0.73 0.00 0.00 179.01 180.93 3cd6 h TRP 83 N 0.68 0.23 -0.08 0.92 7.01 -1.56 -3.10 115.95 120.06 3cd6 h TRP 83 Ca 0.14 -0.08 0.02 0.00 2.11 0.00 0.00 58.89 61.09 3cd6 h TRP 83 Cb 0.37 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 3cd6 h TRP 83 CO 0.02 0.68 -0.06 0.28 -2.79 0.00 0.00 178.44 176.57 3cd6 h VAL 84 N -0.28 0.82 -0.86 2.65 2.07 -0.94 -2.79 116.25 116.92 3cd6 h VAL 84 Ca 0.01 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.74 3cd6 h VAL 84 Cb 0.66 0.82 -0.13 0.00 -1.52 0.00 0.00 31.29 31.12 3cd6 h VAL 84 CO 0.02 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.91 3cd6 h ALA 85 N 0.99 1.29 0.00 1.67 0.00 -0.92 -1.67 119.26 120.62 3cd6 h ALA 85 Ca 0.05 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3cd6 h ALA 85 Cb 0.15 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3cd6 h ALA 85 CO -0.12 -0.39 -0.01 0.93 0.00 0.00 0.00 179.25 179.66 3cd6 h GLU 86 N 0.30 0.00 0.00 0.00 5.08 -1.45 -3.41 114.58 115.10 3cd6 h GLU 86 Ca 0.53 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.73 3cd6 h GLU 86 Cb 1.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3cd6 h GLU 86 CO -0.57 0.16 -0.78 0.45 -1.00 0.00 0.00 179.01 177.26 3cd6 h HIS 87 N -1.00 0.00 -2.73 4.33 3.86 -1.48 -3.47 115.15 114.66 3cd6 h HIS 87 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3cd6 h HIS 87 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 3cd6 h HIS 87 CO 0.04 0.78 0.00 2.41 0.86 0.00 0.00 177.93 182.02 3cd6 n THR 88 N -3.45 0.00 -0.05 2.45 -1.04 -0.63 -4.93 114.28 106.63 3cd6 n THR 88 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 3cd6 n THR 88 Cb 0.80 -1.46 0.14 0.00 -1.82 0.00 0.00 70.33 67.99 3cd6 n THR 88 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3cd6 n ASP 89 N -1.93 2.77 -4.84 8.00 9.92 -1.26 -4.95 116.55 124.26 3cd6 n ASP 89 Ca 0.00 -1.90 -0.27 0.00 -0.53 0.00 0.00 54.79 52.10 3cd6 n ASP 89 Cb 0.00 -0.19 -0.03 0.00 -0.64 0.00 0.00 41.12 40.25 3cd6 n ASP 89 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3cd6 s TYR 90 N -0.99 1.96 -0.20 1.24 1.51 -1.26 -5.09 117.35 114.52 3cd6 s TYR 90 Ca 0.22 -0.78 -0.11 0.00 -1.01 0.00 0.00 57.07 55.40 3cd6 s TYR 90 Cb 0.12 -1.90 -0.20 0.00 -0.11 0.00 0.00 41.96 39.87 3cd6 s TYR 90 CO 0.16 -0.19 0.09 -0.25 -1.11 0.00 0.00 175.55 174.24 3cd6 n ASP 91 N -1.56 2.00 -1.28 2.29 8.00 -1.26 -4.18 116.55 120.56 3cd6 n ASP 91 Ca -0.04 0.23 -0.02 0.00 0.71 0.00 0.00 54.79 55.66 3cd6 n ASP 91 Cb 0.65 -0.80 -0.01 0.00 -0.02 0.00 0.00 41.12 40.94 3cd6 n ASP 91 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3cd6 n ASP 92 N -3.84 -0.14 0.02 -2.24 5.75 -1.26 -3.91 116.55 110.92 3cd6 n ASP 92 Ca -0.39 -1.27 0.01 0.00 -0.01 0.00 0.00 54.79 53.13 3cd6 n ASP 92 Cb 0.91 0.29 0.32 0.00 -1.03 0.00 0.00 41.12 41.61 3cd6 n ASP 92 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3cd6 h ILE 93 N 1.14 1.18 -0.85 2.12 2.04 -1.87 -2.91 117.51 118.36 3cd6 h ILE 93 Ca -0.03 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 3cd6 h ILE 93 Cb 0.16 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3cd6 h ILE 93 CO 0.05 0.25 0.42 0.28 0.00 0.00 0.00 178.15 179.15 3cd6 h SER 94 N 0.46 1.11 -0.06 1.72 0.02 -1.96 0.74 113.55 115.58 3cd6 h SER 94 Ca 0.10 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 3cd6 h SER 94 Cb 0.30 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3cd6 h SER 94 CO 0.01 0.92 -0.15 1.23 -1.14 0.00 0.00 176.83 177.70 3cd6 h GLY 95 N 1.21 0.44 0.47 -3.77 0.00 -1.91 -0.02 103.07 99.48 3cd6 h GLY 95 Ca 0.29 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 3cd6 h GLY 95 CO -0.04 0.28 -0.23 -2.00 0.00 0.00 0.00 176.54 174.55 3cd6 h LEU 96 N 0.38 0.22 -1.45 3.11 5.85 -1.39 -2.73 115.31 119.29 3cd6 h LEU 96 Ca 0.07 -0.75 0.05 0.00 0.84 0.00 0.00 57.88 58.09 3cd6 h LEU 96 Cb 0.49 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3cd6 h LEU 96 CO 0.03 0.94 0.43 0.00 -0.34 0.00 0.00 178.44 179.50 3cd6 h ALA 97 N 0.28 1.74 -0.21 1.25 0.00 -0.64 -0.76 119.26 120.93 3cd6 h ALA 97 Ca -0.03 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 3cd6 h ALA 97 Cb 0.97 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.59 3cd6 h ALA 97 CO 0.05 0.17 -0.69 0.35 0.00 0.00 0.00 179.25 179.13 3cd6 h PHE 98 N 0.68 1.10 -0.19 0.00 3.57 -1.04 -2.73 116.94 118.33 3cd6 h PHE 98 Ca 0.27 -0.45 -0.12 0.00 3.53 0.00 0.00 57.97 61.21 3cd6 h PHE 98 Cb 0.22 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3cd6 h PHE 98 CO -0.00 1.28 -0.38 0.00 -2.23 0.00 0.00 178.31 176.98 3cd6 h ALA 99 N 0.60 0.99 -0.21 2.41 0.00 -0.99 -1.39 119.26 120.68 3cd6 h ALA 99 Ca -0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3cd6 h ALA 99 Cb 1.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3cd6 h ALA 99 CO 0.15 0.61 -0.08 -0.07 0.00 0.00 0.00 179.25 179.86 3cd6 h LEU 100 N 0.35 0.43 -0.94 0.00 3.38 -1.18 0.87 115.31 118.22 3cd6 h LEU 100 Ca 0.03 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 3cd6 h LEU 100 Cb 0.83 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3cd6 h LEU 100 CO 0.07 0.72 -0.49 -0.07 0.09 0.00 0.00 178.44 178.76 3cd6 h LEU 101 N 0.12 0.10 -0.30 1.67 3.38 -1.43 -2.45 115.31 116.41 3cd6 h LEU 101 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cd6 h LEU 101 Cb 0.55 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3cd6 h LEU 101 CO 0.03 0.58 -0.11 -1.54 0.09 0.00 0.00 178.44 177.48 3cd6 n SER 102 N -3.96 0.58 -3.45 -0.43 3.41 -0.53 -4.33 113.62 104.91 3cd6 n SER 102 Ca -0.02 -0.69 -0.19 0.00 -0.26 0.00 0.00 58.87 57.71 3cd6 n SER 102 Cb 0.52 -0.04 0.09 0.00 -0.26 0.00 0.00 64.21 64.51 3cd6 n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3cd6 n GLU 103 N -0.85 -6.93 -0.01 4.33 1.02 -0.85 -4.95 120.64 112.40 3cd6 n GLU 103 Ca 0.15 0.84 0.09 0.00 -0.02 0.00 0.00 57.16 58.21 3cd6 n GLU 103 Cb 0.28 -5.85 -0.16 0.00 -0.02 0.00 0.00 31.44 25.69 3cd6 n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3cd6 n GLU 104 N -4.33 0.66 -3.89 3.49 4.07 0.24 -5.03 120.64 115.85 3cd6 n GLU 104 Ca -0.21 -0.15 -0.10 0.00 -0.06 0.00 0.00 57.16 56.64 3cd6 n GLU 104 Cb 0.64 -1.54 -0.00 0.00 -0.06 0.00 0.00 31.44 30.47 3cd6 n GLU 104 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 3cd6 s THR 105 N -3.39 0.00 0.26 6.31 -1.32 -1.21 -5.05 115.64 111.25 3cd6 s THR 105 Ca -0.08 -1.16 0.04 0.00 -1.21 0.00 0.00 61.69 59.28 3cd6 s THR 105 Cb 0.13 -2.61 -0.06 0.00 -1.51 0.00 0.00 72.50 68.45 3cd6 s THR 105 CO 0.89 0.00 0.02 0.42 -2.21 0.00 0.00 174.62 173.74 3cd6 s THR 106 N -2.91 1.07 0.24 5.08 -4.23 -1.26 -4.50 115.64 109.13 3cd6 s THR 106 Ca 0.18 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.62 3cd6 s THR 106 Cb -0.04 -2.50 0.12 0.00 1.34 0.00 0.00 72.50 71.42 3cd6 s THR 106 CO 0.12 -0.20 1.75 -0.07 -0.54 0.00 0.00 174.62 175.69 3cd6 h LEU 107 N 2.35 0.90 -0.30 4.79 3.38 -1.92 -2.77 115.31 121.74 3cd6 h LEU 107 Ca -0.39 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.32 3cd6 h LEU 107 Cb 1.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3cd6 h LEU 107 CO 0.66 0.90 -0.05 -0.09 0.09 0.00 0.00 178.44 179.95 3cd6 h ARG 108 N 0.90 0.56 -0.02 1.13 2.43 -1.86 0.33 114.38 117.85 3cd6 h ARG 108 Ca 0.18 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3cd6 h ARG 108 Cb 0.39 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3cd6 h ARG 108 CO 0.01 0.74 0.02 1.49 -1.51 0.00 0.00 179.97 180.72 3cd6 h GLU 109 N 0.34 0.00 -0.63 0.20 4.81 -1.84 -0.26 114.58 117.20 3cd6 h GLU 109 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3cd6 h GLU 109 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3cd6 h GLU 109 CO 0.03 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.35 3cd6 n GLN 110 N -3.99 2.69 -0.93 1.92 1.13 -1.05 -4.97 117.38 112.18 3cd6 n GLN 110 Ca -0.02 -2.52 0.00 0.00 -1.94 0.00 0.00 57.00 52.51 3cd6 n GLN 110 Cb 0.11 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 28.94 3cd6 n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3cd6 n GLY 111 N 1.49 0.43 3.68 1.08 0.00 -0.11 -4.62 105.19 107.15 3cd6 n GLY 111 Ca 0.22 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 3cd6 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cd6 s LEU 112 N 0.00 3.35 0.21 0.99 1.02 0.11 -1.75 118.68 122.62 3cd6 s LEU 112 Ca 0.00 -0.42 -0.31 0.00 0.02 0.00 0.00 54.13 53.42 3cd6 s LEU 112 Cb 0.00 -1.97 -0.10 0.00 0.02 0.00 0.00 46.19 44.14 3cd6 s LEU 112 CO 0.00 0.06 1.54 -0.55 0.02 0.00 0.00 176.35 177.42 3cd6 s SER 113 N -3.17 6.57 0.00 2.29 0.15 -0.32 -3.19 113.70 116.03 3cd6 s SER 113 Ca 0.29 2.68 0.04 0.00 0.70 0.00 0.00 55.95 59.66 3cd6 s SER 113 Cb -0.09 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 61.80 3cd6 s SER 113 CO 0.20 -0.80 1.12 -2.65 1.20 0.00 0.00 173.24 172.30 3cd6 n PRO 114 N 3.28 0.01 -4.58 5.44 -0.02 -1.26 -4.61 135.00 133.25 3cd6 n PRO 114 Ca 0.11 0.41 -0.34 0.00 -2.02 0.00 0.00 63.50 61.66 3cd6 n PRO 114 Cb 0.39 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.25 3cd6 n PRO 114 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3cd6 s THR 115 N -2.96 3.75 -0.40 3.45 2.01 -1.26 -4.38 115.64 115.85 3cd6 s THR 115 Ca 0.02 -0.45 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 3cd6 s THR 115 Cb 0.03 -2.55 0.08 0.00 0.01 0.00 0.00 72.50 70.07 3cd6 s THR 115 CO 0.08 0.58 0.21 -0.76 -0.69 0.00 0.00 174.62 174.03 3cd6 s LEU 116 N -0.58 4.98 -0.90 4.42 1.43 0.14 -4.64 118.68 123.54 3cd6 s LEU 116 Ca 0.09 -1.59 -0.23 0.00 -1.03 0.00 0.00 54.13 51.36 3cd6 s LEU 116 Cb -0.12 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.26 3cd6 s LEU 116 CO 0.02 -0.50 1.30 -0.13 0.23 0.00 0.00 176.35 177.28 3cd6 s ARG 117 N 1.33 3.45 0.87 1.70 0.52 -1.26 -0.71 118.95 124.85 3cd6 s ARG 117 Ca 0.03 -0.99 -0.12 0.00 -0.52 0.00 0.00 55.73 54.13 3cd6 s ARG 117 Cb -0.22 -4.88 0.11 0.00 0.52 0.00 0.00 34.95 30.47 3cd6 s ARG 117 CO 0.00 -2.08 1.14 -0.51 0.02 0.00 0.00 175.30 173.87 3cd6 s LEU 118 N 4.68 2.22 0.25 2.53 1.43 -1.00 -4.93 118.68 123.85 3cd6 s LEU 118 Ca 0.39 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 3cd6 s LEU 118 Cb -0.04 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 3cd6 s LEU 118 CO -0.02 -2.30 0.42 -2.28 0.23 0.00 0.00 176.35 172.40 3cd6 s HIS 119 N -3.33 3.48 0.61 0.29 5.65 -0.99 -4.79 115.29 116.21 3cd6 s HIS 119 Ca 0.63 0.24 -0.19 0.00 0.25 0.00 0.00 55.06 55.99 3cd6 s HIS 119 Cb -0.14 -1.78 -0.02 0.00 -1.18 0.00 0.00 32.58 29.46 3cd6 s HIS 119 CO 0.52 0.33 1.28 -2.14 -0.65 0.00 0.00 174.74 174.09 3cd6 s PRO 120 N -3.74 2.78 0.10 2.88 0.02 -1.26 -4.54 135.00 131.24 3cd6 s PRO 120 Ca 0.37 2.03 -0.31 0.00 0.02 0.00 0.00 61.00 63.11 3cd6 s PRO 120 Cb -0.10 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.38 3cd6 s PRO 120 CO 0.31 -1.41 1.85 -1.25 -0.33 0.00 0.00 177.00 176.17 3cd6 s PRO 121 N -3.27 4.14 -0.16 5.54 0.04 -1.26 -4.57 135.00 135.45 3cd6 s PRO 121 Ca 0.79 2.59 -0.29 0.00 0.04 0.00 0.00 61.00 64.13 3cd6 s PRO 121 Cb -0.36 -3.70 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 3cd6 s PRO 121 CO 0.39 -0.86 1.45 1.03 0.04 0.00 0.00 177.00 179.05 3cd6 s ARG 122 N 3.07 4.09 0.00 4.56 0.52 -0.13 -1.57 118.95 129.50 3cd6 s ARG 122 Ca 0.82 1.77 0.00 0.00 -0.52 0.00 0.00 55.73 57.80 3cd6 s ARG 122 Cb -0.45 -3.90 0.00 0.00 0.52 0.00 0.00 34.95 31.12 3cd6 s ARG 122 CO 0.37 -0.91 0.00 0.41 0.02 0.00 0.00 175.30 175.19 3cd6 n GLY 123 N 4.05 0.67 0.93 -3.53 0.00 -1.26 -4.91 105.19 101.14 3cd6 n GLY 123 Ca 0.16 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3cd6 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd6 n GLY 124 N -2.63 -2.97 2.38 -0.02 0.00 -0.61 -5.01 105.19 96.33 3cd6 n GLY 124 Ca 0.00 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 3cd6 n GLY 124 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3cd6 n HIS 125 N -3.55 -3.12 1.19 1.61 1.44 -1.26 -4.94 115.22 106.59 3cd6 n HIS 125 Ca -0.05 -1.07 0.03 0.00 -2.01 0.00 0.00 57.72 54.61 3cd6 n HIS 125 Cb 0.44 -0.45 0.09 0.00 0.12 0.00 0.00 29.99 30.19 3cd6 n HIS 125 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3cd6 n ASP 126 N -2.95 1.29 0.00 4.39 8.00 -1.26 -4.98 116.55 121.04 3cd6 n ASP 126 Ca 0.10 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.54 3cd6 n ASP 126 Cb 0.36 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3cd6 n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cd6 n GLY 127 N 0.63 2.34 1.38 0.44 0.00 -1.26 -4.07 105.19 104.65 3cd6 n GLY 127 Ca 0.06 -1.63 0.10 0.00 0.00 0.00 0.00 46.02 44.56 3cd6 n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cd6 n VAL 128 N 1.65 1.47 0.47 1.61 0.24 -1.26 -0.88 118.33 121.63 3cd6 n VAL 128 Ca 0.00 -1.13 0.08 0.00 -2.04 0.00 0.00 64.34 61.24 3cd6 n VAL 128 Cb 0.00 0.29 -0.10 0.00 -1.47 0.00 0.00 33.84 32.56 3cd6 n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3cd6 n LYS 129 N 1.19 1.34 -4.22 7.34 5.02 -1.26 -4.96 118.16 122.61 3cd6 n LYS 129 Ca 0.24 -0.05 -0.17 0.00 -2.02 0.00 0.00 58.31 56.30 3cd6 n LYS 129 Cb 0.75 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 34.35 3cd6 n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cd6 s HIS 130 N -2.71 1.31 0.86 2.13 3.76 -1.26 -5.09 115.29 114.28 3cd6 s HIS 130 Ca 0.02 -0.57 -0.14 0.00 -0.15 0.00 0.00 55.06 54.22 3cd6 s HIS 130 Cb 0.11 -0.69 0.20 0.00 1.11 0.00 0.00 32.58 33.31 3cd6 s HIS 130 CO 0.65 0.10 1.17 -0.35 -0.85 0.00 0.00 174.74 175.47 3cd6 n PRO 131 N 0.59 -1.08 -0.20 8.40 -0.04 -1.26 -2.83 135.00 138.57 3cd6 n PRO 131 Ca -0.16 -1.89 -0.07 0.00 -0.04 0.00 0.00 63.50 61.33 3cd6 n PRO 131 Cb 0.57 -1.18 0.02 0.00 -0.04 0.00 0.00 33.50 32.87 3cd6 n PRO 131 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3cd6 h VAL 132 N -1.61 1.21 0.00 0.52 2.07 -1.46 0.42 116.25 117.41 3cd6 h VAL 132 Ca -0.38 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3cd6 h VAL 132 Cb 1.07 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3cd6 h VAL 132 CO 0.28 0.25 0.00 0.11 0.02 0.00 0.00 177.57 178.22 3cd6 h LYS 133 N 0.77 0.00 -0.47 1.57 1.57 -1.89 -0.65 116.57 117.47 3cd6 h LYS 133 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3cd6 h LYS 133 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3cd6 h LYS 133 CO -0.02 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.25 3cd6 n GLU 134 N -2.64 2.59 -0.44 3.15 1.02 -1.03 -4.96 120.64 118.34 3cd6 n GLU 134 Ca -0.01 -2.25 0.00 0.00 -0.02 0.00 0.00 57.16 54.88 3cd6 n GLU 134 Cb 0.13 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3cd6 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cd6 n GLY 135 N 1.09 0.76 1.20 0.62 0.00 -0.25 -4.87 105.19 103.73 3cd6 n GLY 135 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 3cd6 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd6 n GLY 136 N -2.28 1.34 0.62 -0.02 0.00 0.15 -4.72 105.19 100.29 3cd6 n GLY 136 Ca 0.00 -2.07 0.06 0.00 0.00 0.00 0.00 46.02 44.01 3cd6 n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3cd6 n GLN 137 N -1.48 2.41 -3.47 1.61 -0.06 -0.06 -3.49 117.38 112.84 3cd6 n GLN 137 Ca 0.05 -1.89 -0.31 0.00 -2.00 0.00 0.00 57.00 52.85 3cd6 n GLN 137 Cb 0.18 -1.27 -0.04 0.00 -4.06 0.00 0.00 30.24 25.05 3cd6 n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3cd6 s LEU 138 N -0.99 4.16 0.00 1.69 1.43 -1.13 -4.55 118.68 119.30 3cd6 s LEU 138 Ca 0.22 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 3cd6 s LEU 138 Cb 0.12 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.82 3cd6 s LEU 138 CO 0.16 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.28 3cd6 n GLY 139 N -0.33 -1.64 3.73 -3.19 0.00 -0.42 -2.11 105.19 101.23 3cd6 n GLY 139 Ca -0.01 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 3cd6 n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cd6 s LYS 140 N 0.00 4.45 0.39 1.61 2.20 -1.26 -2.13 119.74 125.00 3cd6 s LYS 140 Ca 0.00 1.91 0.08 0.00 -0.36 0.00 0.00 55.97 57.60 3cd6 s LYS 140 Cb 0.00 -3.25 -0.06 0.00 -1.51 0.00 0.00 37.83 33.01 3cd6 s LYS 140 CO 0.00 -0.17 0.06 -1.01 -0.36 0.00 0.00 175.35 173.87 3cd6 s HIS 141 N 0.22 2.55 0.86 4.03 3.76 0.33 -4.72 115.29 122.32 3cd6 s HIS 141 Ca 0.55 -0.57 -0.13 0.00 -0.15 0.00 0.00 55.06 54.76 3cd6 s HIS 141 Cb -0.33 -1.74 0.11 0.00 1.11 0.00 0.00 32.58 31.73 3cd6 s HIS 141 CO 0.35 0.38 1.19 -0.51 -0.85 0.00 0.00 174.74 175.30 3cd6 s ASP 142 N -3.77 4.05 0.32 1.40 1.01 -1.26 -4.61 116.67 113.81 3cd6 s ASP 142 Ca 0.37 0.74 0.09 0.00 0.71 0.00 0.00 52.55 54.46 3cd6 s ASP 142 Cb 0.05 -1.18 0.53 0.00 1.01 0.00 0.00 42.92 43.33 3cd6 s ASP 142 CO 0.20 -2.19 1.74 0.74 0.21 0.00 0.00 175.17 175.86 3cd6 h THR 143 N -1.25 1.30 0.06 -1.27 2.02 -1.98 -1.42 112.91 110.37 3cd6 h THR 143 Ca -0.47 -1.47 -0.24 0.00 0.77 0.00 0.00 66.41 65.01 3cd6 h THR 143 Cb 1.32 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 3cd6 h THR 143 CO 0.61 0.43 -1.07 -0.08 0.37 0.00 0.00 175.52 175.78 3cd6 h GLU 144 N 0.13 0.22 -0.53 6.66 4.81 -1.93 -2.68 114.58 121.27 3cd6 h GLU 144 Ca 0.01 -0.32 -0.12 0.00 -0.13 0.00 0.00 59.36 58.81 3cd6 h GLU 144 Cb 0.78 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 3cd6 h GLU 144 CO 0.06 1.10 -0.13 0.78 -0.73 0.00 0.00 179.01 180.10 3cd6 h GLY 145 N 1.85 1.10 1.88 1.92 0.00 -1.81 -2.10 103.07 105.91 3cd6 h GLY 145 Ca -0.08 -0.90 -0.20 0.00 0.00 0.00 0.00 47.33 46.15 3cd6 h GLY 145 CO 0.17 0.82 -0.91 1.19 0.00 0.00 0.00 176.54 177.81 3cd6 h ILE 146 N 0.90 1.57 -0.23 2.60 -0.00 -1.35 -3.08 117.51 117.91 3cd6 h ILE 146 Ca 0.14 -2.86 -0.04 0.00 -0.00 0.00 0.00 64.86 62.10 3cd6 h ILE 146 Cb 0.69 2.59 -0.01 0.00 -0.00 0.00 0.00 36.82 40.09 3cd6 h ILE 146 CO 0.05 0.82 -0.00 0.44 -0.00 0.00 0.00 178.15 179.46 3cd6 h ASP 147 N 0.05 0.39 -0.13 2.19 3.32 -1.36 0.34 116.42 121.22 3cd6 h ASP 147 Ca -0.03 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 3cd6 h ASP 147 Cb 1.57 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.01 3cd6 h ASP 147 CO 0.13 0.61 0.08 0.44 -1.72 0.00 0.00 179.24 178.77 3cd6 h ASP 148 N 0.17 0.17 0.09 6.45 3.32 -1.42 0.14 116.42 125.33 3cd6 h ASP 148 Ca 0.06 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3cd6 h ASP 148 Cb 0.41 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3cd6 h ASP 148 CO 0.01 0.15 -0.04 0.25 -1.72 0.00 0.00 179.24 177.89 3cd6 h LEU 149 N 0.20 -0.10 -1.74 1.55 5.85 -1.40 -2.76 115.31 116.92 3cd6 h LEU 149 Ca 0.05 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 3cd6 h LEU 149 Cb 0.02 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3cd6 h LEU 149 CO -0.01 0.54 0.07 -0.07 -0.34 0.00 0.00 178.44 178.63 3cd6 h LEU 150 N -0.97 0.21 -0.30 2.25 3.38 -0.63 -1.69 115.31 117.57 3cd6 h LEU 150 Ca -0.01 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 3cd6 h LEU 150 Cb 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3cd6 h LEU 150 CO 0.02 0.19 -0.76 -0.33 0.09 0.00 0.00 178.44 177.66 3cd6 h GLU 151 N 0.24 0.57 0.00 1.13 5.08 -0.85 -2.52 114.58 118.22 3cd6 h GLU 151 Ca 0.06 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3cd6 h GLU 151 Cb 0.06 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3cd6 h GLU 151 CO -0.01 1.09 0.00 0.00 -1.00 0.00 0.00 179.01 179.10 3cd6 n ALA 152 N -2.55 1.78 -0.98 3.43 0.00 -0.71 -2.47 120.51 118.99 3cd6 n ALA 152 Ca -0.06 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3cd6 n ALA 152 Cb 0.73 -1.40 0.24 0.00 0.00 0.00 0.00 19.45 19.01 3cd6 n ALA 152 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3cd6 n MET 153 N -2.23 2.65 0.00 0.00 2.81 -0.73 -0.96 117.12 118.66 3cd6 n MET 153 Ca 0.03 -2.77 0.03 0.00 -1.81 0.00 0.00 57.70 53.17 3cd6 n MET 153 Cb 0.27 -1.77 0.19 0.00 -0.71 0.00 0.00 33.22 31.19 3cd6 n MET 153 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37