#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dr3 s ARG 4 N 0.00 2.68 -0.34 -0.14 1.81 -1.26 -2.23 118.95 119.47 2dr3 s ARG 4 Ca 0.00 -0.80 -0.17 0.00 -1.72 0.00 0.00 55.73 53.04 2dr3 s ARG 4 Cb 0.00 -2.31 -0.01 0.00 -0.45 0.00 0.00 34.95 32.18 2dr3 s ARG 4 CO 0.00 0.43 0.44 0.08 -0.68 0.00 0.00 175.30 175.57 2dr3 s VAL 5 N -0.25 5.09 -0.29 3.52 1.01 0.91 -4.89 120.40 125.51 2dr3 s VAL 5 Ca 0.00 0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.98 2dr3 s VAL 5 Cb -0.13 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2dr3 s VAL 5 CO 0.03 -0.13 0.84 -0.54 0.00 0.00 0.00 175.10 175.30 2dr3 s LYS 6 N 2.21 4.04 0.42 2.72 1.02 -1.26 -1.24 119.74 127.65 2dr3 s LYS 6 Ca 0.16 0.77 0.18 0.00 0.02 0.00 0.00 55.97 57.09 2dr3 s LYS 6 Cb -0.16 -3.70 0.94 0.00 -0.52 0.00 0.00 37.83 34.38 2dr3 s LYS 6 CO 0.12 -0.67 1.89 1.79 -0.92 0.00 0.00 175.35 177.56 2dr3 h THR 7 N 5.57 0.97 0.00 2.17 1.35 -1.91 -3.44 112.91 117.62 2dr3 h THR 7 Ca -0.23 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 2dr3 h THR 7 Cb 1.09 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2dr3 h THR 7 CO 0.90 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 177.06 2dr3 n GLY 8 N -0.42 1.38 3.66 5.82 0.00 -1.26 -4.50 105.19 109.88 2dr3 n GLY 8 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2dr3 n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dr3 s ILE 9 N -3.03 4.52 -0.50 -0.61 1.01 -1.26 -4.92 121.20 116.42 2dr3 s ILE 9 Ca 0.00 1.83 -0.46 0.00 0.00 0.00 0.00 60.65 62.02 2dr3 s ILE 9 Cb 0.00 -4.21 -0.20 0.00 0.01 0.00 0.00 42.46 38.06 2dr3 s ILE 9 CO 0.00 -0.19 1.70 -2.65 0.00 0.00 0.00 174.94 173.80 2dr3 n PRO 10 N 6.48 0.00 0.00 2.79 -0.02 -1.26 -1.23 135.00 141.76 2dr3 n PRO 10 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2dr3 n PRO 10 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2dr3 n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dr3 n GLY 11 N 4.63 2.74 0.07 -1.23 0.00 -1.25 -0.79 105.19 109.36 2dr3 n GLY 11 Ca 0.35 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 2dr3 n GLY 11 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dr3 h VAL 12 N 0.00 1.01 -0.24 1.61 2.07 -1.45 -2.04 116.25 117.20 2dr3 h VAL 12 Ca 0.00 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2dr3 h VAL 12 Cb 0.00 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2dr3 h VAL 12 CO 0.00 0.02 0.01 0.44 0.02 0.00 0.00 177.57 178.06 2dr3 h ASP 13 N 0.11 0.32 -0.36 0.57 3.32 -1.91 -0.23 116.42 118.25 2dr3 h ASP 13 Ca 0.04 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 2dr3 h ASP 13 Cb -0.00 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2dr3 h ASP 13 CO -0.02 0.37 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.26 2dr3 h GLU 14 N 0.35 0.82 0.00 3.56 3.07 -1.86 0.39 114.58 120.91 2dr3 h GLU 14 Ca 0.08 -0.40 -0.01 0.00 -0.50 0.00 0.00 59.36 58.52 2dr3 h GLU 14 Cb 0.22 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2dr3 h GLU 14 CO 0.00 1.04 -0.06 0.82 -1.40 0.00 0.00 179.01 179.41 2dr3 h ILE 15 N 0.61 0.95 -0.59 3.13 2.04 -0.59 0.94 117.51 124.00 2dr3 h ILE 15 Ca 0.07 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2dr3 h ILE 15 Cb 0.85 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2dr3 h ILE 15 CO 0.07 0.06 0.00 0.18 0.00 0.00 0.00 178.15 178.46 2dr3 n LEU 16 N -4.34 3.89 -3.92 1.44 4.77 -0.18 -0.96 117.00 117.70 2dr3 n LEU 16 Ca -0.03 -1.95 -0.26 0.00 -0.03 0.00 0.00 56.01 53.74 2dr3 n LEU 16 Cb 0.14 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 2dr3 n LEU 16 CO 0.34 0.76 -0.21 1.41 -1.33 0.00 0.00 177.39 178.36 2dr3 n HIS 17 N 1.11 -1.68 0.00 -1.77 8.25 0.32 -3.01 115.22 118.45 2dr3 n HIS 17 Ca 0.22 0.72 0.00 0.00 -0.26 0.00 0.00 57.72 58.40 2dr3 n HIS 17 Cb 0.69 -3.75 0.00 0.00 1.12 0.00 0.00 29.99 28.05 2dr3 n HIS 17 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dr3 n GLY 18 N -1.94 3.66 0.00 -1.41 0.00 0.13 -4.97 105.19 100.66 2dr3 n GLY 18 Ca -0.29 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2dr3 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dr3 n GLY 19 N 0.00 0.95 3.68 -0.02 0.00 -1.16 -4.65 105.19 103.98 2dr3 n GLY 19 Ca 0.00 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 2dr3 n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dr3 s ILE 20 N -1.73 4.48 0.21 -0.61 1.01 -0.37 -4.72 121.20 119.47 2dr3 s ILE 20 Ca 0.00 1.79 -0.32 0.00 0.00 0.00 0.00 60.65 62.11 2dr3 s ILE 20 Cb 0.00 -4.15 -0.13 0.00 0.01 0.00 0.00 42.46 38.19 2dr3 s ILE 20 CO 0.00 -0.06 1.56 -2.65 0.00 0.00 0.00 174.94 173.79 2dr3 n PRO 21 N 5.59 2.30 -1.64 2.79 -0.02 -1.26 -0.06 135.00 142.70 2dr3 n PRO 21 Ca 0.11 0.83 -0.45 0.00 -2.02 0.00 0.00 63.50 61.97 2dr3 n PRO 21 Cb 0.47 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 2dr3 n PRO 21 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2dr3 n GLU 22 N 2.91 1.74 -0.97 -0.52 2.13 -0.95 -1.94 120.64 123.04 2dr3 n GLU 22 Ca 0.14 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.57 2dr3 n GLU 22 Cb 0.32 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 29.89 2dr3 n GLU 22 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2dr3 n ARG 23 N 1.15 -0.07 -2.66 5.31 1.74 -1.24 -5.01 116.66 115.88 2dr3 n ARG 23 Ca 0.09 0.02 -0.37 0.00 -0.77 0.00 0.00 57.85 56.82 2dr3 n ARG 23 Cb 0.32 -2.88 -0.05 0.00 -1.02 0.00 0.00 32.46 28.82 2dr3 n ARG 23 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2dr3 s ASN 24 N -2.54 7.06 -0.32 0.55 -0.87 -0.82 -4.62 114.94 113.38 2dr3 s ASN 24 Ca 0.00 1.95 -0.09 0.00 -1.57 0.00 0.00 52.86 53.15 2dr3 s ASN 24 Cb 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 2dr3 s ASN 24 CO 0.00 -0.27 0.14 -0.69 -2.57 0.00 0.00 177.10 173.71 2dr3 s VAL 25 N -1.62 4.42 -0.22 1.60 1.01 -1.26 -1.78 120.40 122.54 2dr3 s VAL 25 Ca 0.54 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 2dr3 s VAL 25 Cb -0.21 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2dr3 s VAL 25 CO 0.26 0.02 0.07 -0.69 0.00 0.00 0.00 175.10 174.77 2dr3 s VAL 26 N 1.57 4.62 -0.19 2.92 1.01 0.17 -1.49 120.40 129.01 2dr3 s VAL 26 Ca 0.04 -0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 2dr3 s VAL 26 Cb -0.17 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2dr3 s VAL 26 CO 0.05 0.39 0.80 -0.22 0.00 0.00 0.00 175.10 176.13 2dr3 s LEU 27 N 0.98 4.15 -0.43 3.92 2.96 -0.43 0.15 118.68 129.97 2dr3 s LEU 27 Ca 0.04 1.09 -0.07 0.00 -0.22 0.00 0.00 54.13 54.97 2dr3 s LEU 27 Cb -0.14 -3.17 0.10 0.00 0.50 0.00 0.00 46.19 43.48 2dr3 s LEU 27 CO 0.03 -0.40 0.27 -0.22 -1.32 0.00 0.00 176.35 174.71 2dr3 s LEU 28 N 2.26 5.35 0.01 -0.68 2.96 0.30 -0.52 118.68 128.36 2dr3 s LEU 28 Ca 0.36 -1.78 0.02 0.00 -0.22 0.00 0.00 54.13 52.51 2dr3 s LEU 28 Cb -0.16 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2dr3 s LEU 28 CO 0.11 -0.59 -0.01 -0.55 -1.32 0.00 0.00 176.35 173.99 2dr3 s SER 29 N 2.25 5.04 0.00 3.68 0.15 -0.51 -0.91 113.70 123.39 2dr3 s SER 29 Ca 0.05 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2dr3 s SER 29 Cb -0.24 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 2dr3 s SER 29 CO -0.01 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2dr3 n GLY 30 N 1.29 1.47 1.36 9.45 0.00 -1.14 -0.89 105.19 116.73 2dr3 n GLY 30 Ca -0.14 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 2dr3 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dr3 n GLY 31 N -0.43 -1.70 3.77 -0.02 0.00 -1.25 -1.97 105.19 103.58 2dr3 n GLY 31 Ca 0.00 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 2dr3 n GLY 31 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dr3 s PRO 32 N -4.00 4.28 -0.76 1.61 0.04 -1.26 -3.35 135.00 131.56 2dr3 s PRO 32 Ca 0.27 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2dr3 s PRO 32 Cb -0.01 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.52 2dr3 s PRO 32 CO 0.19 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.40 2dr3 n GLY 33 N 0.76 0.82 0.15 0.56 0.00 -1.26 -4.92 105.19 101.30 2dr3 n GLY 33 Ca 0.01 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.47 2dr3 n GLY 33 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dr3 n THR 34 N -2.97 0.00 -0.19 2.61 -2.24 -1.21 -4.94 114.28 105.34 2dr3 n THR 34 Ca -0.08 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2dr3 n THR 34 Cb 0.29 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2dr3 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dr3 n GLY 35 N 1.35 0.88 0.19 3.38 0.00 -1.26 -4.74 105.19 104.99 2dr3 n GLY 35 Ca 0.12 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2dr3 n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dr3 h LYS 36 N 0.50 0.60 -0.21 1.61 1.57 -1.92 -1.15 116.57 117.58 2dr3 h LYS 36 Ca 0.00 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2dr3 h LYS 36 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2dr3 h LYS 36 CO 0.00 0.66 0.08 1.15 -0.57 0.00 0.00 179.45 180.77 2dr3 h THR 37 N 0.45 1.16 -0.57 -0.16 2.02 -1.98 -1.66 112.91 112.17 2dr3 h THR 37 Ca 0.11 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 2dr3 h THR 37 Cb 0.34 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 2dr3 h THR 37 CO 0.01 0.16 0.31 0.40 0.37 0.00 0.00 175.52 176.76 2dr3 h ILE 38 N 0.19 1.19 -0.13 3.11 2.04 -1.98 -0.81 117.51 121.12 2dr3 h ILE 38 Ca 0.07 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.46 2dr3 h ILE 38 Cb 0.17 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2dr3 h ILE 38 CO -0.01 0.20 0.05 0.15 0.00 0.00 0.00 178.15 178.55 2dr3 h PHE 39 N 0.77 0.10 -0.25 1.37 3.04 -1.08 0.22 116.94 121.10 2dr3 h PHE 39 Ca 0.20 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 62.05 2dr3 h PHE 39 Cb 0.05 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 2dr3 h PHE 39 CO -0.01 0.05 -0.29 0.66 -2.02 0.00 0.00 178.31 176.70 2dr3 h SER 40 N 0.12 0.51 -0.04 0.41 4.64 -1.14 -1.61 113.55 116.44 2dr3 h SER 40 Ca 0.05 -0.18 -0.18 0.00 -0.47 0.00 0.00 61.79 61.01 2dr3 h SER 40 Cb 0.02 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2dr3 h SER 40 CO -0.05 0.78 -0.61 1.56 -0.87 0.00 0.00 176.83 177.63 2dr3 h GLN 41 N 0.43 0.65 -0.38 4.77 4.20 -0.89 -2.38 115.11 121.50 2dr3 h GLN 41 Ca 0.06 -0.44 -0.05 0.00 0.06 0.00 0.00 58.65 58.27 2dr3 h GLN 41 Cb 0.73 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 2dr3 h GLN 41 CO 0.06 1.06 0.01 0.37 -0.67 0.00 0.00 178.83 179.66 2dr3 h GLN 42 N 0.48 0.60 -0.73 1.46 4.15 -0.78 0.11 115.11 120.40 2dr3 h GLN 42 Ca -0.01 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.22 2dr3 h GLN 42 Cb 1.19 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.77 2dr3 h GLN 42 CO 0.12 0.62 0.24 0.35 -1.93 0.00 0.00 178.83 178.23 2dr3 h PHE 43 N 0.58 1.17 -0.07 3.99 3.57 -1.02 -0.78 116.94 124.37 2dr3 h PHE 43 Ca 0.12 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2dr3 h PHE 43 Cb 0.35 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2dr3 h PHE 43 CO 0.01 0.92 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.78 2dr3 h LEU 44 N 1.08 0.28 -0.01 0.59 3.38 -0.86 -2.86 115.31 116.90 2dr3 h LEU 44 Ca 0.24 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.66 2dr3 h LEU 44 Cb 0.30 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 2dr3 h LEU 44 CO -0.01 0.81 -0.29 -0.25 0.09 0.00 0.00 178.44 178.78 2dr3 h TRP 45 N -0.24 -0.80 -0.35 1.13 2.91 -0.66 -0.46 115.95 117.49 2dr3 h TRP 45 Ca -0.00 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.10 2dr3 h TRP 45 Cb 0.77 0.36 -0.02 0.00 -0.51 0.00 0.00 29.16 29.75 2dr3 h TRP 45 CO 0.12 -0.39 0.24 -0.91 -1.03 0.00 0.00 178.44 176.47 2dr3 h ASN 46 N -0.44 0.20 -0.45 2.65 2.35 -1.23 -1.02 115.58 117.65 2dr3 h ASN 46 Ca 0.07 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 2dr3 h ASN 46 Cb 0.53 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 2dr3 h ASN 46 CO -0.26 0.13 0.05 1.23 -1.65 0.00 0.00 177.43 176.94 2dr3 h GLY 47 N 0.23 0.81 1.05 2.83 0.00 -0.90 -2.56 103.07 104.54 2dr3 h GLY 47 Ca 0.15 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2dr3 h GLY 47 CO -0.03 0.51 0.46 1.41 0.00 0.00 0.00 176.54 178.89 2dr3 h LEU 48 N 0.61 1.11 -2.41 3.11 3.38 0.08 0.79 115.31 121.98 2dr3 h LEU 48 Ca 0.13 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dr3 h LEU 48 Cb 0.41 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2dr3 h LEU 48 CO 0.01 0.91 -0.00 0.11 0.09 0.00 0.00 178.44 179.55 2dr3 h LYS 49 N 1.23 0.00 -0.22 1.13 1.79 -1.03 -2.50 116.57 116.97 2dr3 h LYS 49 Ca 0.30 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.71 2dr3 h LYS 49 Cb 0.06 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 2dr3 h LYS 49 CO -0.05 0.00 -0.07 0.00 -1.08 0.00 0.00 179.45 178.26 2dr3 n MET 50 N -3.11 2.09 -1.04 3.15 0.00 -0.66 -4.97 117.12 112.58 2dr3 n MET 50 Ca -0.02 -2.96 -0.01 0.00 0.00 0.00 0.00 57.70 54.71 2dr3 n MET 50 Cb 0.16 -1.75 -0.00 0.00 0.00 0.00 0.00 33.22 31.63 2dr3 n MET 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2dr3 n GLY 51 N -0.97 0.46 3.24 3.17 0.00 -0.94 -5.04 105.19 105.11 2dr3 n GLY 51 Ca 0.24 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 2dr3 n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dr3 s GLU 52 N -2.11 2.70 0.32 1.61 2.02 0.18 -5.00 118.70 118.43 2dr3 s GLU 52 Ca 0.00 -1.10 -0.29 0.00 0.02 0.00 0.00 54.97 53.60 2dr3 s GLU 52 Cb 0.00 -3.26 -0.12 0.00 0.10 0.00 0.00 34.13 30.84 2dr3 s GLU 52 CO 0.00 -0.55 1.43 -2.30 0.02 0.00 0.00 175.26 173.85 2dr3 n PRO 53 N 4.74 2.37 -4.29 0.39 -0.02 -1.26 -3.36 135.00 133.57 2dr3 n PRO 53 Ca -0.14 0.84 -0.18 0.00 -2.02 0.00 0.00 63.50 62.00 2dr3 n PRO 53 Cb 0.45 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 2dr3 n PRO 53 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2dr3 s GLY 54 N 0.02 1.24 -0.06 -1.23 0.00 -0.51 -1.30 107.32 105.47 2dr3 s GLY 54 Ca 0.59 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.83 2dr3 s GLY 54 CO 0.57 -1.57 -0.06 -0.42 0.00 0.00 0.00 173.10 171.63 2dr3 s ILE 55 N -2.67 0.70 -0.28 0.90 1.01 -0.32 -2.01 121.20 118.53 2dr3 s ILE 55 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.58 2dr3 s ILE 55 Cb -0.02 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.75 2dr3 s ILE 55 CO 0.04 0.28 0.02 -0.47 0.00 0.00 0.00 174.94 174.81 2dr3 s TYR 56 N 1.11 3.13 -0.41 3.97 6.14 -0.65 -0.68 117.35 129.96 2dr3 s TYR 56 Ca -0.08 -1.29 -0.18 0.00 0.64 0.00 0.00 57.07 56.16 2dr3 s TYR 56 Cb -0.14 -2.17 0.02 0.00 0.42 0.00 0.00 41.96 40.08 2dr3 s TYR 56 CO -0.01 -0.66 0.50 0.08 0.64 0.00 0.00 175.55 176.10 2dr3 s VAL 57 N 1.41 5.01 -0.21 3.14 1.01 0.49 -1.47 120.40 129.78 2dr3 s VAL 57 Ca 0.01 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 2dr3 s VAL 57 Cb -0.17 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2dr3 s VAL 57 CO -0.00 -0.41 0.38 0.00 0.00 0.00 0.00 175.10 175.06 2dr3 s ALA 58 N 2.36 3.56 0.00 5.51 0.00 -0.48 -2.07 121.76 130.65 2dr3 s ALA 58 Ca 0.16 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2dr3 s ALA 58 Cb -0.16 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.35 2dr3 s ALA 58 CO 0.15 -0.30 0.00 1.28 0.00 0.00 0.00 175.76 176.89 2dr3 n LEU 59 N 4.48 0.00 -0.05 0.00 4.32 -0.50 -0.82 117.00 124.43 2dr3 n LEU 59 Ca -0.09 -0.38 -0.01 0.00 -0.02 0.00 0.00 56.01 55.52 2dr3 n LEU 59 Cb 0.51 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.19 2dr3 n LEU 59 CO 0.39 0.00 -0.86 -0.62 -1.22 0.00 0.00 177.39 175.08 2dr3 n GLU 60 N -0.79 1.11 -3.95 3.23 -0.58 -1.18 -4.61 120.64 113.87 2dr3 n GLU 60 Ca 0.00 -0.07 -0.08 0.00 -0.42 0.00 0.00 57.16 56.59 2dr3 n GLU 60 Cb 0.00 -1.38 -0.09 0.00 -0.57 0.00 0.00 31.44 29.40 2dr3 n GLU 60 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2dr3 s GLU 61 N -2.68 0.67 0.26 3.49 0.41 -1.26 -5.10 118.70 114.49 2dr3 s GLU 61 Ca -0.07 -0.96 -0.30 0.00 -0.41 0.00 0.00 54.97 53.24 2dr3 s GLU 61 Cb 0.07 0.26 -0.09 0.00 -1.78 0.00 0.00 34.13 32.59 2dr3 s GLU 61 CO 0.64 -0.17 1.07 -1.58 -0.49 0.00 0.00 175.26 174.72 2dr3 s HIS 62 N -3.39 3.66 0.44 1.61 5.65 -1.26 -4.74 115.29 117.26 2dr3 s HIS 62 Ca 0.02 1.73 0.28 0.00 0.25 0.00 0.00 55.06 57.34 2dr3 s HIS 62 Cb 0.03 -3.22 1.35 0.00 -1.18 0.00 0.00 32.58 29.56 2dr3 s HIS 62 CO -0.08 -0.36 1.67 -1.35 -0.65 0.00 0.00 174.74 173.97 2dr3 h PRO 63 N 4.03 0.16 -0.05 2.88 0.11 -1.92 0.29 132.00 137.50 2dr3 h PRO 63 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2dr3 h PRO 63 Cb 1.21 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2dr3 h PRO 63 CO 0.68 0.11 0.03 0.28 -0.21 0.00 0.00 178.00 178.88 2dr3 h VAL 64 N 0.16 1.08 -0.51 3.15 2.07 -2.00 -0.73 116.25 119.48 2dr3 h VAL 64 Ca 0.75 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.97 2dr3 h VAL 64 Cb 2.29 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 33.20 2dr3 h VAL 64 CO -0.35 0.07 0.07 1.56 0.02 0.00 0.00 177.57 178.93 2dr3 h GLN 65 N -0.02 0.80 -0.09 1.57 7.50 -1.35 -2.33 115.11 121.19 2dr3 h GLN 65 Ca 0.02 -0.19 0.00 0.00 0.50 0.00 0.00 58.65 58.98 2dr3 h GLN 65 Cb 0.09 -0.11 -0.00 0.00 0.05 0.00 0.00 27.48 27.51 2dr3 h GLN 65 CO -0.00 0.76 0.06 0.28 -1.50 0.00 0.00 178.83 178.43 2dr3 h VAL 66 N 0.76 1.04 -0.43 -0.54 2.07 -1.03 0.80 116.25 118.93 2dr3 h VAL 66 Ca 0.16 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.67 2dr3 h VAL 66 Cb 0.36 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 2dr3 h VAL 66 CO 0.01 0.04 0.02 0.03 0.02 0.00 0.00 177.57 177.68 2dr3 h ARG 67 N 0.11 0.12 0.16 1.57 3.08 -0.89 -0.15 114.38 118.38 2dr3 h ARG 67 Ca 0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2dr3 h ARG 67 Cb 0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2dr3 h ARG 67 CO -0.01 0.08 -0.28 1.96 -1.07 0.00 0.00 179.97 180.65 2dr3 h GLN 68 N 0.13 -0.45 -0.88 0.04 1.08 -0.89 -1.44 115.11 112.70 2dr3 h GLN 68 Ca 0.21 0.03 0.24 0.00 -1.45 0.00 0.00 58.65 57.68 2dr3 h GLN 68 Cb 0.30 0.10 -0.15 0.00 -0.05 0.00 0.00 27.48 27.69 2dr3 h GLN 68 CO -0.34 -0.30 0.20 -0.91 -0.95 0.00 0.00 178.83 176.53 2dr3 h ASN 69 N -0.47 -0.07 0.35 1.46 2.35 -0.38 0.38 115.58 119.19 2dr3 h ASN 69 Ca -0.02 0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 2dr3 h ASN 69 Cb 0.44 0.30 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 2dr3 h ASN 69 CO -0.10 -0.18 -0.38 0.24 -1.65 0.00 0.00 177.43 175.35 2dr3 h MET 70 N 0.17 0.05 -0.51 0.81 2.86 -0.79 -2.88 114.93 114.64 2dr3 h MET 70 Ca 0.55 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 58.08 2dr3 h MET 70 Cb 1.11 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 2dr3 h MET 70 CO -0.69 0.43 -0.03 0.00 1.06 0.00 0.00 176.91 177.69 2dr3 h ALA 71 N 1.57 0.98 0.00 6.32 0.00 0.84 -1.17 119.26 127.79 2dr3 h ALA 71 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2dr3 h ALA 71 Cb 0.70 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2dr3 h ALA 71 CO 0.05 0.62 0.00 1.96 0.00 0.00 0.00 179.25 181.88 2dr3 h GLN 72 N 0.82 0.00 -0.38 0.00 7.50 -1.20 -0.02 115.11 121.82 2dr3 h GLN 72 Ca 0.15 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.30 2dr3 h GLN 72 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.06 2dr3 h GLN 72 CO 0.03 0.00 0.00 1.19 -1.50 0.00 0.00 178.83 178.55 2dr3 n PHE 73 N -2.70 0.49 -0.78 2.96 3.72 -0.97 -4.92 117.46 115.26 2dr3 n PHE 73 Ca -0.02 -0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 2dr3 n PHE 73 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 2dr3 n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dr3 n GLY 74 N 1.49 0.72 2.90 1.37 0.00 -0.02 -4.68 105.19 106.97 2dr3 n GLY 74 Ca 0.19 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 2dr3 n GLY 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dr3 s TRP 75 N -2.00 3.48 -0.44 1.61 0.51 -0.48 -5.00 118.94 116.62 2dr3 s TRP 75 Ca 0.00 -3.30 -0.25 0.00 -2.12 0.00 0.00 56.10 50.42 2dr3 s TRP 75 Cb 0.00 -2.71 0.02 0.00 -0.81 0.00 0.00 33.47 29.97 2dr3 s TRP 75 CO 0.00 -0.58 0.91 0.34 -0.51 0.00 0.00 176.95 177.11 2dr3 s ASP 76 N -1.24 6.53 0.14 2.95 2.15 -1.26 -3.39 116.67 122.55 2dr3 s ASP 76 Ca 0.24 0.20 0.25 0.00 0.43 0.00 0.00 52.55 53.67 2dr3 s ASP 76 Cb -0.08 -2.45 0.60 0.00 -0.30 0.00 0.00 42.92 40.69 2dr3 s ASP 76 CO -0.14 -0.99 1.55 1.33 -0.17 0.00 0.00 175.17 176.75 2dr3 n VAL 77 N 6.29 0.42 -0.10 1.11 0.24 -1.26 -4.41 118.33 120.62 2dr3 n VAL 77 Ca 0.06 -0.25 -0.06 0.00 -2.04 0.00 0.00 64.34 62.05 2dr3 n VAL 77 Cb 0.48 -0.32 0.01 0.00 -1.47 0.00 0.00 33.84 32.54 2dr3 n VAL 77 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2dr3 h LYS 78 N 0.00 -0.03 -0.43 7.34 3.64 -1.97 0.20 116.57 125.31 2dr3 h LYS 78 Ca 0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 2dr3 h LYS 78 Cb 0.72 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.45 2dr3 h LYS 78 CO 0.00 -0.02 -0.18 -1.35 -2.27 0.00 0.00 179.45 175.63 2dr3 h PRO 79 N -0.04 -0.09 -0.12 1.90 0.11 -2.01 -1.80 132.00 129.96 2dr3 h PRO 79 Ca 0.17 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 2dr3 h PRO 79 Cb 0.30 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2dr3 h PRO 79 CO -0.39 -0.06 -0.22 1.88 -0.21 0.00 0.00 178.00 179.00 2dr3 h TYR 80 N -0.09 0.21 -0.36 0.65 -1.99 -1.27 -2.61 116.97 111.51 2dr3 h TYR 80 Ca 0.21 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.86 2dr3 h TYR 80 Cb 0.41 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.07 2dr3 h TYR 80 CO -0.44 0.41 0.04 0.93 -0.00 0.00 0.00 178.16 179.11 2dr3 h GLU 81 N 0.18 0.54 0.00 4.88 5.08 0.13 -0.29 114.58 125.09 2dr3 h GLU 81 Ca 0.03 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 2dr3 h GLU 81 Cb 0.50 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2dr3 h GLU 81 CO 0.03 0.53 -0.66 1.05 -1.00 0.00 0.00 179.01 178.97 2dr3 h GLU 82 N 0.52 0.00 -0.23 2.33 4.11 -1.07 -3.17 114.58 117.07 2dr3 h GLU 82 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 2dr3 h GLU 82 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2dr3 h GLU 82 CO 0.00 0.60 0.00 1.63 0.07 0.00 0.00 179.01 181.31 2dr3 n LYS 83 N -3.24 1.65 -2.61 1.06 4.76 -0.96 -4.91 118.16 113.91 2dr3 n LYS 83 Ca 0.01 -1.00 -0.14 0.00 -2.87 0.00 0.00 58.31 54.31 2dr3 n LYS 83 Cb 0.79 -1.29 0.02 0.00 -1.84 0.00 0.00 35.03 32.70 2dr3 n LYS 83 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dr3 n GLY 84 N 1.01 -0.11 0.00 0.72 0.00 -0.97 -4.92 105.19 100.92 2dr3 n GLY 84 Ca 0.12 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 45.95 2dr3 n GLY 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dr3 n MET 85 N -2.69 2.05 -3.97 1.61 2.81 -0.16 -4.53 117.12 112.24 2dr3 n MET 85 Ca -0.10 -0.04 -0.09 0.00 -1.81 0.00 0.00 57.70 55.66 2dr3 n MET 85 Cb 0.59 -1.08 -0.10 0.00 -0.71 0.00 0.00 33.22 31.91 2dr3 n MET 85 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 2dr3 s PHE 86 N -2.27 0.25 -0.21 2.03 5.36 -1.14 -1.43 117.98 120.58 2dr3 s PHE 86 Ca -0.00 -0.55 -0.19 0.00 -0.96 0.00 0.00 56.93 55.23 2dr3 s PHE 86 Cb 0.06 -0.19 0.05 0.00 -0.34 0.00 0.00 43.02 42.61 2dr3 s PHE 86 CO 0.38 -0.27 0.56 0.00 -1.46 0.00 0.00 175.22 174.43 2dr3 s ALA 87 N -2.07 -1.38 -0.12 11.12 0.00 -0.85 -4.21 121.76 124.26 2dr3 s ALA 87 Ca -0.10 1.56 -0.05 0.00 0.00 0.00 0.00 51.96 53.37 2dr3 s ALA 87 Cb -0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 2dr3 s ALA 87 CO -0.03 -0.26 0.06 -1.64 0.00 0.00 0.00 175.76 173.89 2dr3 s MET 88 N 0.28 3.33 -0.22 0.00 -1.94 -1.26 -1.64 119.30 117.85 2dr3 s MET 88 Ca -0.00 -0.29 -0.03 0.00 -1.71 0.00 0.00 55.69 53.66 2dr3 s MET 88 Cb -0.04 -3.02 -0.00 0.00 2.01 0.00 0.00 34.83 33.78 2dr3 s MET 88 CO 0.01 0.66 -0.07 0.08 -0.01 0.00 0.00 175.02 175.69 2dr3 s VAL 89 N -0.72 3.13 -0.65 -6.03 1.01 -0.54 -4.38 120.40 112.22 2dr3 s VAL 89 Ca 0.12 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 2dr3 s VAL 89 Cb -0.12 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.88 2dr3 s VAL 89 CO 0.03 0.43 1.16 -0.62 0.00 0.00 0.00 175.10 176.09 2dr3 s ASP 90 N 1.44 6.28 -0.13 3.32 3.68 -0.13 -1.39 116.67 129.75 2dr3 s ASP 90 Ca 0.05 -0.33 0.15 0.00 2.13 0.00 0.00 52.55 54.56 2dr3 s ASP 90 Cb -0.14 -2.52 0.31 0.00 -1.45 0.00 0.00 42.92 39.12 2dr3 s ASP 90 CO -0.05 -1.58 1.16 0.00 0.13 0.00 0.00 175.17 174.83 2dr3 n ALA 91 N 8.55 2.69 -0.06 3.66 0.00 -0.00 -0.32 120.51 135.04 2dr3 n ALA 91 Ca 0.04 -2.62 -0.07 0.00 0.00 0.00 0.00 53.44 50.79 2dr3 n ALA 91 Cb 0.48 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 2dr3 n ALA 91 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dr3 n PHE 92 N -1.00 0.00 -0.32 0.00 7.35 -0.66 -4.36 117.46 118.47 2dr3 n PHE 92 Ca 0.14 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 57.02 2dr3 n PHE 92 Cb 0.71 -0.37 0.38 0.00 0.35 0.00 0.00 39.48 40.55 2dr3 n PHE 92 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 2dr3 h THR 93 N -0.73 0.16 -0.77 -2.13 1.35 -1.88 0.78 112.91 109.69 2dr3 h THR 93 Ca 0.00 -0.04 0.16 0.00 -0.55 0.00 0.00 66.41 65.98 2dr3 h THR 93 Cb 0.73 0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 67.13 2dr3 h THR 93 CO 0.00 0.02 0.52 0.00 -0.25 0.00 0.00 175.52 175.81 2dr3 h ALA 94 N 1.90 2.20 0.00 6.62 0.00 -1.81 -0.63 119.26 127.53 2dr3 h ALA 94 Ca 0.66 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.46 2dr3 h ALA 94 Cb 1.48 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2dr3 h ALA 94 CO -0.75 -0.41 -0.50 0.78 0.00 0.00 0.00 179.25 178.37 2dr3 h GLY 95 N 0.36 0.00 0.00 0.00 0.00 0.34 -3.37 103.07 100.41 2dr3 h GLY 95 Ca 0.38 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.48 2dr3 h GLY 95 CO -0.11 0.00 -1.51 0.29 0.00 0.00 0.00 176.54 175.20 2dr3 n ILE 96 N -3.75 1.51 0.00 2.60 -5.35 -0.43 -5.07 119.36 108.87 2dr3 n ILE 96 Ca -0.01 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2dr3 n ILE 96 Cb 0.55 -2.10 0.00 0.00 -1.74 0.00 0.00 39.64 36.35 2dr3 n ILE 96 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dr3 n GLY 97 N 1.41 2.49 3.53 3.28 0.00 -0.38 -5.14 105.19 110.39 2dr3 n GLY 97 Ca -0.32 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 2dr3 n GLY 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dr3 n LYS 98 N 0.00 0.71 -0.18 1.61 4.81 -1.26 -4.90 118.16 118.96 2dr3 n LYS 98 Ca 0.00 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 2dr3 n LYS 98 Cb 0.00 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.16 2dr3 n LYS 98 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dr3 n SER 99 N 0.05 0.00 -2.63 3.14 2.88 -1.26 -4.57 113.62 111.23 2dr3 n SER 99 Ca 0.12 -1.26 -0.26 0.00 -1.33 0.00 0.00 58.87 56.14 2dr3 n SER 99 Cb 0.46 -0.05 -0.08 0.00 -0.75 0.00 0.00 64.21 63.79 2dr3 n SER 99 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dr3 n LYS 100 N 0.00 2.85 -3.58 -1.46 4.81 -1.26 -4.84 118.16 114.68 2dr3 n LYS 100 Ca 0.00 -2.03 -0.08 0.00 -0.87 0.00 0.00 58.31 55.33 2dr3 n LYS 100 Cb 0.55 -2.29 -0.02 0.00 0.02 0.00 0.00 35.03 33.30 2dr3 n LYS 100 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2dr3 s GLU 101 N 0.02 1.18 -0.18 1.64 2.12 -1.26 -5.14 118.70 117.08 2dr3 s GLU 101 Ca 0.63 -0.53 -0.09 0.00 0.36 0.00 0.00 54.97 55.34 2dr3 s GLU 101 Cb 0.29 0.48 -0.05 0.00 0.26 0.00 0.00 34.13 35.12 2dr3 s GLU 101 CO -0.10 -0.53 0.13 -0.47 -0.54 0.00 0.00 175.26 173.75 2dr3 s TYR 102 N -3.47 3.44 -0.18 5.30 6.14 -1.26 -5.06 117.35 122.25 2dr3 s TYR 102 Ca 0.06 0.35 -0.10 0.00 0.64 0.00 0.00 57.07 58.02 2dr3 s TYR 102 Cb -0.02 -2.10 0.06 0.00 0.42 0.00 0.00 41.96 40.32 2dr3 s TYR 102 CO -0.06 0.38 0.44 -2.00 0.64 0.00 0.00 175.55 174.96 2dr3 s GLU 103 N 0.03 0.43 0.02 4.97 2.56 -1.26 -5.09 118.70 120.36 2dr3 s GLU 103 Ca 0.09 0.83 -0.04 0.00 0.00 0.00 0.00 54.97 55.86 2dr3 s GLU 103 Cb -0.11 -0.00 -0.01 0.00 2.00 0.00 0.00 34.13 36.00 2dr3 s GLU 103 CO -0.00 -0.16 1.07 0.87 -0.56 0.00 0.00 175.26 176.48 2dr3 h LYS 104 N 7.07 -0.05 -5.17 4.30 6.56 -1.97 -3.38 116.57 123.93 2dr3 h LYS 104 Ca -0.36 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 58.61 2dr3 h LYS 104 Cb 1.19 0.01 -0.14 0.00 -0.57 0.00 0.00 32.23 32.72 2dr3 h LYS 104 CO 0.28 -0.03 -0.27 0.71 -2.06 0.00 0.00 179.45 178.08 2dr3 s TYR 105 N -3.32 3.27 -0.13 -1.35 2.02 -1.26 -5.06 117.35 111.52 2dr3 s TYR 105 Ca -0.02 0.41 -0.08 0.00 -0.37 0.00 0.00 57.07 57.01 2dr3 s TYR 105 Cb 0.01 -2.53 0.05 0.00 -0.40 0.00 0.00 41.96 39.09 2dr3 s TYR 105 CO 0.07 -0.17 0.32 -1.50 -1.57 0.00 0.00 175.55 172.70 2dr3 s ILE 106 N 1.86 -0.03 -0.38 2.71 2.07 -1.26 -0.95 121.20 125.22 2dr3 s ILE 106 Ca 0.14 0.10 -0.15 0.00 -1.41 0.00 0.00 60.65 59.34 2dr3 s ILE 106 Cb -0.15 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 41.97 2dr3 s ILE 106 CO 0.09 0.04 0.31 -0.69 -1.91 0.00 0.00 174.94 172.79 2dr3 s VAL 107 N 1.08 5.23 0.14 4.00 1.01 0.57 -4.96 120.40 127.47 2dr3 s VAL 107 Ca -0.07 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 2dr3 s VAL 107 Cb -0.08 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 2dr3 s VAL 107 CO -0.08 -0.21 1.40 0.45 0.00 0.00 0.00 175.10 176.67 2dr3 h HIS 108 N 8.58 0.93 -3.33 5.22 -0.00 -1.97 -3.39 115.15 121.19 2dr3 h HIS 108 Ca -0.29 -0.37 -0.46 0.00 -0.00 0.00 0.00 60.37 59.26 2dr3 h HIS 108 Cb 1.13 -0.16 -0.36 0.00 -0.00 0.00 0.00 27.41 28.02 2dr3 h HIS 108 CO 0.61 1.17 -0.78 0.34 -0.00 0.00 0.00 177.93 179.27 2dr3 s ASP 109 N -7.00 1.54 0.00 2.45 2.15 -1.26 -4.68 116.67 109.87 2dr3 s ASP 109 Ca -0.09 -0.19 0.26 0.00 0.43 0.00 0.00 52.55 52.96 2dr3 s ASP 109 Cb 0.10 -0.60 0.61 0.00 -0.30 0.00 0.00 42.92 42.73 2dr3 s ASP 109 CO 0.88 -0.09 1.48 0.18 -0.17 0.00 0.00 175.17 177.44 2dr3 n LEU 110 N 4.51 1.34 0.17 -1.34 4.77 -1.26 -4.10 117.00 121.09 2dr3 n LEU 110 Ca -0.17 -0.41 0.12 0.00 -0.03 0.00 0.00 56.01 55.52 2dr3 n LEU 110 Cb 0.51 -0.08 0.59 0.00 -2.33 0.00 0.00 43.42 42.11 2dr3 n LEU 110 CO 0.19 0.25 0.87 0.74 -1.33 0.00 0.00 177.39 178.10 2dr3 h THR 111 N 1.69 0.00 -3.91 -5.08 2.02 -1.97 -3.41 112.91 102.25 2dr3 h THR 111 Ca 0.00 -0.11 -0.32 0.00 0.77 0.00 0.00 66.41 66.75 2dr3 h THR 111 Cb 0.57 0.74 -0.28 0.00 -1.74 0.00 0.00 68.15 67.44 2dr3 h THR 111 CO 0.00 0.00 -0.75 1.51 0.37 0.00 0.00 175.52 176.65 2dr3 s ASP 112 N -4.25 0.62 0.00 4.18 -4.77 -1.26 -5.01 116.67 106.18 2dr3 s ASP 112 Ca 0.00 -0.14 0.29 0.00 -3.30 0.00 0.00 52.55 49.40 2dr3 s ASP 112 Cb 0.08 -0.05 1.55 0.00 -1.09 0.00 0.00 42.92 43.40 2dr3 s ASP 112 CO 0.30 0.03 2.03 0.00 0.70 0.00 0.00 175.17 178.24 2dr3 n ILE 113 N 2.80 0.04 0.19 2.11 0.13 -1.26 -3.88 119.36 119.50 2dr3 n ILE 113 Ca -0.14 0.01 -0.14 0.00 -1.10 0.00 0.00 62.75 61.38 2dr3 n ILE 113 Cb 0.58 -0.54 -0.08 0.00 -0.84 0.00 0.00 39.64 38.76 2dr3 n ILE 113 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 2dr3 h ARG 114 N 0.00 -0.47 -0.51 9.51 3.08 -1.95 -2.02 114.38 122.01 2dr3 h ARG 114 Ca 0.00 0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 2dr3 h ARG 114 Cb 0.19 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2dr3 h ARG 114 CO 0.00 -0.18 -0.14 1.49 -1.07 0.00 0.00 179.97 180.07 2dr3 h GLU 115 N -0.74 1.00 -0.48 0.04 4.81 -1.88 -2.29 114.58 115.04 2dr3 h GLU 115 Ca -0.05 -0.39 0.10 0.00 -0.13 0.00 0.00 59.36 58.89 2dr3 h GLU 115 Cb 0.51 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.75 2dr3 h GLU 115 CO 0.08 1.07 -0.08 0.35 -0.73 0.00 0.00 179.01 179.70 2dr3 h PHE 116 N 0.87 -0.18 -0.28 0.92 3.04 -1.69 0.87 116.94 120.50 2dr3 h PHE 116 Ca 0.13 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 62.05 2dr3 h PHE 116 Cb 0.71 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 2dr3 h PHE 116 CO 0.05 -0.18 -0.11 0.82 -2.02 0.00 0.00 178.31 176.87 2dr3 h ILE 117 N 0.04 1.22 0.67 1.41 2.04 -1.20 -2.08 117.51 119.61 2dr3 h ILE 117 Ca 0.24 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 2dr3 h ILE 117 Cb 0.36 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2dr3 h ILE 117 CO -0.47 0.31 -0.37 -0.33 0.00 0.00 0.00 178.15 177.29 2dr3 h GLU 118 N 0.43 -0.94 -0.49 2.37 5.08 -0.29 0.71 114.58 121.46 2dr3 h GLU 118 Ca 0.08 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2dr3 h GLU 118 Cb 0.46 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2dr3 h GLU 118 CO 0.03 -0.62 0.27 0.28 -1.00 0.00 0.00 179.01 177.96 2dr3 h VAL 119 N -0.97 1.15 -0.35 3.13 2.07 -1.21 -0.76 116.25 119.31 2dr3 h VAL 119 Ca -0.09 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 2dr3 h VAL 119 Cb 0.77 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2dr3 h VAL 119 CO 0.11 0.16 -0.02 0.25 0.02 0.00 0.00 177.57 178.10 2dr3 h LEU 120 N 0.67 0.63 -0.62 2.57 5.85 -1.11 -0.71 115.31 122.59 2dr3 h LEU 120 Ca 0.17 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2dr3 h LEU 120 Cb 0.01 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2dr3 h LEU 120 CO -0.03 0.80 0.30 0.03 -0.34 0.00 0.00 178.44 179.19 2dr3 h ARG 121 N 0.45 0.89 -0.59 1.25 3.08 -0.33 -0.37 114.38 118.75 2dr3 h ARG 121 Ca 0.10 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2dr3 h ARG 121 Cb 0.48 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 2dr3 h ARG 121 CO 0.02 0.71 0.28 0.37 -1.07 0.00 0.00 179.97 180.29 2dr3 h GLN 122 N 0.84 0.86 -0.36 0.04 5.75 -0.98 0.66 115.11 121.93 2dr3 h GLN 122 Ca 0.21 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 2dr3 h GLN 122 Cb 0.12 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 2dr3 h GLN 122 CO -0.03 0.69 0.06 0.00 -2.65 0.00 0.00 178.83 176.91 2dr3 h ALA 123 N 1.12 0.48 -0.46 3.38 0.00 -0.86 0.69 119.26 123.60 2dr3 h ALA 123 Ca 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2dr3 h ALA 123 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2dr3 h ALA 123 CO -0.03 0.18 0.13 0.82 0.00 0.00 0.00 179.25 180.36 2dr3 h ILE 124 N 0.43 1.20 0.64 0.00 2.04 -0.82 -2.48 117.51 118.51 2dr3 h ILE 124 Ca 0.11 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 2dr3 h ILE 124 Cb 0.35 0.70 0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2dr3 h ILE 124 CO 0.01 0.25 -0.31 -0.09 0.00 0.00 0.00 178.15 178.01 2dr3 h ARG 125 N 0.67 -0.82 -0.63 2.37 9.65 -0.41 0.26 114.38 125.47 2dr3 h ARG 125 Ca 0.16 0.06 0.12 0.00 -1.10 0.00 0.00 59.98 59.21 2dr3 h ARG 125 Cb 0.22 0.19 -0.09 0.00 -1.39 0.00 0.00 29.97 28.90 2dr3 h ARG 125 CO -0.01 -0.51 0.16 -0.44 2.80 0.00 0.00 179.97 181.98 2dr3 h ASP 126 N -1.07 0.05 -0.16 -3.80 3.45 -0.70 -2.93 116.42 111.26 2dr3 h ASP 126 Ca -0.09 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.49 2dr3 h ASP 126 Cb 0.70 0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.61 2dr3 h ASP 126 CO 0.14 0.03 0.00 2.30 -1.57 0.00 0.00 179.24 180.14 2dr3 n ILE 127 N -5.11 0.27 -3.51 0.35 -5.35 -0.95 -4.98 119.36 100.09 2dr3 n ILE 127 Ca 0.10 -0.64 -0.18 0.00 -0.27 0.00 0.00 62.75 61.76 2dr3 n ILE 127 Cb 0.34 1.12 0.07 0.00 -1.74 0.00 0.00 39.64 39.43 2dr3 n ILE 127 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2dr3 n ASN 128 N 0.98 -1.82 -4.61 7.28 5.15 0.04 -4.75 115.26 117.52 2dr3 n ASN 128 Ca 0.12 -0.68 -0.46 0.00 -0.60 0.00 0.00 54.58 52.96 2dr3 n ASN 128 Cb 0.45 -4.80 -0.02 0.00 -0.53 0.00 0.00 39.78 34.88 2dr3 n ASN 128 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dr3 n ALA 129 N -4.16 0.02 -0.01 5.20 0.00 -0.93 -4.60 120.51 116.03 2dr3 n ALA 129 Ca -0.29 0.42 -0.00 0.00 0.00 0.00 0.00 53.44 53.56 2dr3 n ALA 129 Cb 0.67 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 2dr3 n ALA 129 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dr3 n LYS 130 N 1.32 2.37 -4.73 0.00 5.02 -0.42 -4.51 118.16 117.21 2dr3 n LYS 130 Ca 0.11 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.15 2dr3 n LYS 130 Cb 0.30 -1.08 -0.16 0.00 -0.02 0.00 0.00 35.03 34.07 2dr3 n LYS 130 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2dr3 s ARG 131 N -2.12 1.48 -0.00 1.97 0.52 -0.95 -1.06 118.95 118.78 2dr3 s ARG 131 Ca -0.01 -0.54 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 2dr3 s ARG 131 Cb 0.01 -1.34 -0.00 0.00 0.52 0.00 0.00 34.95 34.14 2dr3 s ARG 131 CO 0.13 0.25 -0.03 0.08 0.02 0.00 0.00 175.30 175.74 2dr3 s VAL 132 N -0.06 0.26 -0.07 3.52 1.01 -0.80 -1.18 120.40 123.09 2dr3 s VAL 132 Ca -0.01 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2dr3 s VAL 132 Cb -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.06 2dr3 s VAL 132 CO 0.01 0.08 -0.17 -0.69 0.00 0.00 0.00 175.10 174.33 2dr3 s VAL 133 N -0.03 1.48 -0.27 2.92 1.01 0.14 -1.22 120.40 124.44 2dr3 s VAL 133 Ca 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2dr3 s VAL 133 Cb -0.02 -1.30 0.06 0.00 0.00 0.00 0.00 36.38 35.11 2dr3 s VAL 133 CO -0.00 0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 174.76 2dr3 s VAL 134 N 0.39 2.41 -0.32 2.92 1.01 -0.48 -0.38 120.40 125.95 2dr3 s VAL 134 Ca -0.13 -1.58 0.01 0.00 0.00 0.00 0.00 61.98 60.29 2dr3 s VAL 134 Cb -0.15 -2.41 0.10 0.00 0.00 0.00 0.00 36.38 33.91 2dr3 s VAL 134 CO 0.05 -0.06 0.08 -0.62 0.00 0.00 0.00 175.10 174.55 2dr3 s ASP 135 N 1.14 4.26 0.03 3.32 2.15 -0.88 -0.62 116.67 126.08 2dr3 s ASP 135 Ca -0.08 -1.82 0.05 0.00 0.43 0.00 0.00 52.55 51.13 2dr3 s ASP 135 Cb -0.20 -1.11 -0.02 0.00 -0.30 0.00 0.00 42.92 41.29 2dr3 s ASP 135 CO -0.04 -0.40 -0.14 -0.94 -0.17 0.00 0.00 175.17 173.48 2dr3 s SER 136 N 1.37 1.63 0.52 -0.34 1.04 -1.26 -1.42 113.70 115.25 2dr3 s SER 136 Ca 0.10 -0.40 0.28 0.00 0.48 0.00 0.00 55.95 56.41 2dr3 s SER 136 Cb -0.18 -0.12 1.41 0.00 0.10 0.00 0.00 66.02 67.23 2dr3 s SER 136 CO -0.19 0.06 1.91 1.62 0.98 0.00 0.00 173.24 177.62 2dr3 h VAL 137 N 4.58 0.61 -0.89 5.02 3.04 -1.46 -1.74 116.25 125.42 2dr3 h VAL 137 Ca -0.37 -0.02 0.12 0.00 -1.01 0.00 0.00 66.70 65.42 2dr3 h VAL 137 Cb 1.18 0.56 -0.08 0.00 -2.01 0.00 0.00 31.29 30.93 2dr3 h VAL 137 CO 0.45 0.01 0.52 0.74 -1.01 0.00 0.00 177.57 178.28 2dr3 h THR 138 N 0.05 0.86 -0.07 3.17 2.02 -1.92 -0.22 112.91 116.79 2dr3 h THR 138 Ca 0.39 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.31 2dr3 h THR 138 Cb 1.46 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2dr3 h THR 138 CO -0.02 0.15 0.10 0.74 0.37 0.00 0.00 175.52 176.85 2dr3 h THR 139 N 0.81 0.40 0.00 3.16 2.02 -1.67 0.37 112.91 118.00 2dr3 h THR 139 Ca 0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.63 2dr3 h THR 139 Cb 0.50 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2dr3 h THR 139 CO -0.29 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.53 2dr3 h LEU 140 N 0.00 0.00 -0.33 2.58 3.38 -1.16 -3.36 115.31 116.42 2dr3 h LEU 140 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2dr3 h LEU 140 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2dr3 h LEU 140 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2dr3 n TYR 141 N -3.00 0.00 -0.34 1.13 0.18 -0.80 -4.79 117.16 109.53 2dr3 n TYR 141 Ca 0.02 -0.00 0.22 0.00 1.88 0.00 0.00 57.90 60.02 2dr3 n TYR 141 Cb 0.36 -0.00 0.46 0.00 -0.38 0.00 0.00 39.34 39.78 2dr3 n TYR 141 CO 0.00 0.00 0.00 0.97 -2.08 0.00 0.00 176.86 175.75 2dr3 h ILE 142 N 1.62 0.45 -0.62 -3.48 6.09 -1.10 2.05 117.51 122.53 2dr3 h ILE 142 Ca 0.00 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 2dr3 h ILE 142 Cb 0.65 -0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.93 2dr3 h ILE 142 CO 0.00 0.08 0.00 0.59 -3.07 0.00 0.00 178.15 175.75 2dr3 n ASN 143 N -4.82 4.35 -3.09 2.19 3.02 -1.26 -4.41 115.26 111.23 2dr3 n ASN 143 Ca 0.28 -2.32 -0.19 0.00 -0.03 0.00 0.00 54.58 52.32 2dr3 n ASN 143 Cb 0.89 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 2dr3 n ASN 143 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2dr3 n LYS 144 N 1.10 0.83 0.24 3.52 5.02 0.69 -5.02 118.16 124.54 2dr3 n LYS 144 Ca 0.24 -2.97 0.07 0.00 -2.02 0.00 0.00 58.31 53.63 2dr3 n LYS 144 Cb 0.78 -1.39 0.58 0.00 -0.02 0.00 0.00 35.03 34.98 2dr3 n LYS 144 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2dr3 h PRO 145 N 3.57 0.00 0.00 1.97 0.13 -1.56 -0.66 132.00 135.45 2dr3 h PRO 145 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2dr3 h PRO 145 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2dr3 h PRO 145 CO 0.43 0.10 0.00 0.00 -0.23 0.00 0.00 178.00 178.30 2dr3 h ALA 146 N 1.90 1.00 0.00 -0.56 0.00 -1.96 -2.52 119.26 117.12 2dr3 h ALA 146 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dr3 h ALA 146 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dr3 h ALA 146 CO 0.01 0.00 -0.78 -1.33 0.00 0.00 0.00 179.25 177.15 2dr3 n MET 147 N -3.01 0.33 -0.24 0.00 2.81 -0.26 -4.37 117.12 112.39 2dr3 n MET 147 Ca -0.01 0.07 0.04 0.00 -1.81 0.00 0.00 57.70 55.99 2dr3 n MET 147 Cb 0.22 -1.68 0.16 0.00 -0.71 0.00 0.00 33.22 31.21 2dr3 n MET 147 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dr3 h ALA 148 N 2.45 0.91 0.02 3.04 0.00 -1.40 -2.14 119.26 122.14 2dr3 h ALA 148 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2dr3 h ALA 148 Cb 0.78 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2dr3 h ALA 148 CO 0.00 -0.30 -0.14 -0.09 0.00 0.00 0.00 179.25 178.72 2dr3 h ARG 149 N 0.30 -0.23 -0.42 0.00 2.43 -1.78 -1.35 114.38 113.33 2dr3 h ARG 149 Ca 0.39 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2dr3 h ARG 149 Cb 0.62 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 2dr3 h ARG 149 CO -0.46 -0.16 0.26 0.66 -1.51 0.00 0.00 179.97 178.76 2dr3 h SER 150 N -0.24 0.50 -0.58 -3.80 4.64 -1.76 -2.56 113.55 109.75 2dr3 h SER 150 Ca 0.04 -0.05 0.06 0.00 -0.47 0.00 0.00 61.79 61.37 2dr3 h SER 150 Cb 0.29 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 2dr3 h SER 150 CO -0.12 0.40 0.28 0.40 -0.87 0.00 0.00 176.83 176.93 2dr3 h ILE 151 N 0.55 0.92 -0.29 0.95 2.04 -1.17 0.23 117.51 120.74 2dr3 h ILE 151 Ca 0.15 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2dr3 h ILE 151 Cb -0.01 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2dr3 h ILE 151 CO -0.03 0.10 0.10 0.40 0.00 0.00 0.00 178.15 178.72 2dr3 h ILE 152 N 0.53 1.19 -0.16 -0.67 1.08 -1.08 -1.19 117.51 117.21 2dr3 h ILE 152 Ca 0.26 -0.60 -0.14 0.00 -0.39 0.00 0.00 64.86 63.99 2dr3 h ILE 152 Cb 0.20 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 2dr3 h ILE 152 CO -0.20 0.20 -0.49 -0.07 -0.69 0.00 0.00 178.15 176.91 2dr3 h LEU 153 N 0.31 0.46 0.35 1.44 3.38 -1.19 0.42 115.31 120.47 2dr3 h LEU 153 Ca 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2dr3 h LEU 153 Cb 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2dr3 h LEU 153 CO -0.00 0.88 -0.17 1.56 0.09 0.00 0.00 178.44 180.79 2dr3 h GLN 154 N 0.34 -0.45 -0.38 1.13 4.20 -0.44 -0.53 115.11 118.97 2dr3 h GLN 154 Ca 0.02 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2dr3 h GLN 154 Cb 0.98 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 2dr3 h GLN 154 CO 0.09 -0.18 0.17 -0.07 -0.67 0.00 0.00 178.83 178.16 2dr3 h LEU 155 N -0.67 0.47 -0.89 1.46 3.38 -1.18 -1.71 115.31 116.17 2dr3 h LEU 155 Ca -0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2dr3 h LEU 155 Cb 0.47 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2dr3 h LEU 155 CO 0.08 0.42 0.48 0.50 0.09 0.00 0.00 178.44 180.00 2dr3 h LYS 156 N 0.53 1.24 -0.17 1.13 3.64 -0.63 -1.74 116.57 120.57 2dr3 h LYS 156 Ca 0.13 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2dr3 h LYS 156 Cb 0.08 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2dr3 h LYS 156 CO -0.02 0.91 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.71 2dr3 h ARG 157 N 1.25 0.49 0.32 1.90 2.43 -0.23 -2.40 114.38 118.14 2dr3 h ARG 157 Ca 0.31 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2dr3 h ARG 157 Cb 0.04 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2dr3 h ARG 157 CO -0.05 0.90 -0.22 0.28 -1.51 0.00 0.00 179.97 179.37 2dr3 h VAL 158 N 0.14 0.00 -0.47 0.20 2.07 -1.19 -0.20 116.25 116.80 2dr3 h VAL 158 Ca 0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.63 2dr3 h VAL 158 Cb 0.86 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 2dr3 h VAL 158 CO 0.06 0.00 -0.11 -0.07 0.02 0.00 0.00 177.57 177.47 2dr3 h LEU 159 N -0.52 -0.43 -1.29 2.57 3.38 -1.43 -0.95 115.31 116.63 2dr3 h LEU 159 Ca -0.04 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2dr3 h LEU 159 Cb 0.42 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2dr3 h LEU 159 CO 0.03 -0.15 -0.13 0.00 0.09 0.00 0.00 178.44 178.28 2dr3 h ALA 160 N 1.47 1.42 -0.06 1.53 0.00 -1.45 -0.13 119.26 122.03 2dr3 h ALA 160 Ca 0.23 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2dr3 h ALA 160 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2dr3 h ALA 160 CO -0.48 0.41 -0.36 0.78 0.00 0.00 0.00 179.25 179.59 2dr3 h GLY 161 N 0.82 0.14 -2.39 0.00 0.00 0.30 -2.71 103.07 99.23 2dr3 h GLY 161 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2dr3 h GLY 161 CO 0.02 0.11 0.00 -1.30 0.00 0.00 0.00 176.54 175.37 2dr3 n THR 162 N -4.08 1.42 -1.25 4.70 -2.24 -0.75 -4.90 114.28 107.17 2dr3 n THR 162 Ca -0.02 -0.84 -0.09 0.00 -2.27 0.00 0.00 64.05 60.84 2dr3 n THR 162 Cb 0.42 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 2dr3 n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dr3 n GLY 163 N 0.74 1.02 3.86 3.38 0.00 -1.02 -4.92 105.19 108.24 2dr3 n GLY 163 Ca 0.18 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2dr3 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dr3 s THR 165 N -1.98 2.29 0.20 0.00 2.01 -0.23 -3.70 115.64 114.23 2dr3 s THR 165 Ca 0.52 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.69 2dr3 s THR 165 Cb -0.10 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 2dr3 s THR 165 CO 0.20 0.54 -0.15 -0.44 -0.69 0.00 0.00 174.62 174.07 2dr3 s SER 166 N 0.73 2.63 -0.19 3.53 0.01 -0.74 -1.91 113.70 117.77 2dr3 s SER 166 Ca -0.08 -0.99 0.01 0.00 1.31 0.00 0.00 55.95 56.20 2dr3 s SER 166 Cb -0.16 -0.15 0.03 0.00 0.21 0.00 0.00 66.02 65.95 2dr3 s SER 166 CO 0.01 -0.14 -0.17 -0.63 0.41 0.00 0.00 173.24 172.72 2dr3 s ILE 167 N -2.78 1.94 -0.33 1.44 1.01 -0.35 0.44 121.20 122.57 2dr3 s ILE 167 Ca 0.21 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 2dr3 s ILE 167 Cb -0.02 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 2dr3 s ILE 167 CO 0.07 0.42 0.19 -0.36 0.00 0.00 0.00 174.94 175.26 2dr3 s PHE 168 N 1.31 3.20 -0.13 3.97 0.40 0.12 -1.38 117.98 125.48 2dr3 s PHE 168 Ca 0.03 -0.48 -0.29 0.00 -0.60 0.00 0.00 56.93 55.58 2dr3 s PHE 168 Cb -0.14 -2.41 -0.01 0.00 0.51 0.00 0.00 43.02 40.97 2dr3 s PHE 168 CO -0.11 -0.44 1.04 0.08 0.70 0.00 0.00 175.22 176.48 2dr3 s VAL 169 N 1.65 4.71 -0.18 -0.44 1.01 0.21 -0.54 120.40 126.82 2dr3 s VAL 169 Ca 0.05 1.99 -0.02 0.00 0.00 0.00 0.00 61.98 64.01 2dr3 s VAL 169 Cb -0.17 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 2dr3 s VAL 169 CO 0.08 -0.04 -0.10 -0.55 0.00 0.00 0.00 175.10 174.49 2dr3 s SER 170 N 1.17 4.03 -0.18 3.32 0.15 -0.09 -2.35 113.70 119.75 2dr3 s SER 170 Ca 0.48 -0.40 -0.22 0.00 0.70 0.00 0.00 55.95 56.51 2dr3 s SER 170 Cb -0.18 -1.65 -0.02 0.00 -1.71 0.00 0.00 66.02 62.45 2dr3 s SER 170 CO 0.15 0.06 0.68 -1.10 1.20 0.00 0.00 173.24 174.23 2dr3 s GLN 171 N 1.00 4.26 -0.06 5.44 -0.21 -1.26 -2.90 119.66 125.93 2dr3 s GLN 171 Ca -0.01 0.74 0.02 0.00 0.02 0.00 0.00 55.36 56.13 2dr3 s GLN 171 Cb -0.15 -3.56 -0.03 0.00 1.00 0.00 0.00 33.01 30.27 2dr3 s GLN 171 CO -0.01 -0.23 -0.10 0.08 -2.12 0.00 0.00 175.29 172.91 2dr3 s VAL 172 N 1.84 3.44 -0.49 1.09 1.01 -0.83 -4.94 120.40 121.51 2dr3 s VAL 172 Ca 0.32 -0.58 0.22 0.00 0.00 0.00 0.00 61.98 61.94 2dr3 s VAL 172 Cb -0.16 -2.39 -0.21 0.00 0.00 0.00 0.00 36.38 33.63 2dr3 s VAL 172 CO 0.11 0.59 0.82 -1.20 0.00 0.00 0.00 175.10 175.43 2dr3 n SER 173 N 2.31 0.52 -0.10 3.32 7.64 -1.26 -3.97 113.62 122.07 2dr3 n SER 173 Ca -0.18 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.41 2dr3 n SER 173 Cb 0.53 1.21 0.00 0.00 -1.01 0.00 0.00 64.21 64.93 2dr3 n SER 173 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dr3 n GLY 178 N 1.35 0.23 0.00 0.23 0.00 -1.26 -4.79 105.19 100.95 2dr3 n GLY 178 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2dr3 n GLY 178 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dr3 n PHE 179 N -0.21 0.00 0.00 1.61 3.72 -1.26 -4.93 117.46 116.39 2dr3 n PHE 179 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2dr3 n PHE 179 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2dr3 n PHE 179 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dr3 n GLY 180 N 0.70 -0.16 3.19 1.37 0.00 -1.26 -4.84 105.19 104.18 2dr3 n GLY 180 Ca 0.00 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 2dr3 n GLY 180 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dr3 s PRO 182 N -2.00 2.32 0.00 1.61 0.04 -1.26 -4.64 135.00 131.07 2dr3 s PRO 182 Ca 0.00 -1.52 0.00 0.00 0.04 0.00 0.00 61.00 59.52 2dr3 s PRO 182 Cb 0.00 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2dr3 s PRO 182 CO 0.00 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.57 2dr3 n GLY 183 N 4.70 0.94 0.22 0.56 0.00 -1.26 -4.61 105.19 105.74 2dr3 n GLY 183 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2dr3 n GLY 183 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dr3 h VAL 184 N 0.00 0.58 -0.26 1.61 2.07 -1.91 -0.96 116.25 117.38 2dr3 h VAL 184 Ca 0.00 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 66.97 2dr3 h VAL 184 Cb 0.00 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2dr3 h VAL 184 CO 0.00 0.11 0.69 1.05 0.02 0.00 0.00 177.57 179.44 2dr3 h GLU 185 N -0.86 0.00 0.02 1.57 4.11 -1.88 0.02 114.58 117.56 2dr3 h GLU 185 Ca -0.05 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.06 2dr3 h GLU 185 Cb 0.53 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 2dr3 h GLU 185 CO 0.08 0.00 -1.90 0.72 0.07 0.00 0.00 179.01 177.98 2dr3 n HIS 186 N -3.01 0.85 -0.02 2.06 8.25 -0.92 -4.35 115.22 118.08 2dr3 n HIS 186 Ca 0.05 0.27 -0.07 0.00 -0.26 0.00 0.00 57.72 57.71 2dr3 n HIS 186 Cb 0.80 -1.15 0.11 0.00 1.12 0.00 0.00 29.99 30.87 2dr3 n HIS 186 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2dr3 h GLY 187 N 3.07 0.66 -1.27 -1.41 0.00 0.37 -3.45 103.07 101.04 2dr3 h GLY 187 Ca -0.36 -0.63 -0.51 0.00 0.00 0.00 0.00 47.33 45.83 2dr3 h GLY 187 CO 0.07 0.57 0.31 -1.34 0.00 0.00 0.00 176.54 176.14 2dr3 s VAL 188 N -4.35 3.21 0.03 4.60 -7.23 -1.02 -4.90 120.40 110.74 2dr3 s VAL 188 Ca -0.08 0.39 -0.07 0.00 -1.81 0.00 0.00 61.98 60.42 2dr3 s VAL 188 Cb 0.13 -2.89 -0.30 0.00 0.56 0.00 0.00 36.38 33.88 2dr3 s VAL 188 CO 0.82 -0.52 0.97 0.44 -0.31 0.00 0.00 175.10 176.51 2dr3 h ASP 189 N -1.20 0.52 -5.20 4.85 3.32 -1.59 -3.48 116.42 113.65 2dr3 h ASP 189 Ca -0.45 -0.63 -0.25 0.00 0.02 0.00 0.00 57.03 55.72 2dr3 h ASP 189 Cb 1.24 -0.17 -0.15 0.00 0.22 0.00 0.00 39.33 40.47 2dr3 h ASP 189 CO 0.52 1.51 -0.63 -0.83 -1.72 0.00 0.00 179.24 178.09 2dr3 s GLY 190 N -4.79 1.35 -0.09 2.75 0.00 -0.97 -1.20 107.32 104.36 2dr3 s GLY 190 Ca -0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 44.72 42.95 2dr3 s GLY 190 CO 0.88 -1.44 0.19 -0.42 0.00 0.00 0.00 173.10 172.31 2dr3 s ILE 191 N -3.99 -0.21 -0.13 0.90 1.01 0.56 -1.32 121.20 118.02 2dr3 s ILE 191 Ca 0.33 0.27 0.02 0.00 0.00 0.00 0.00 60.65 61.26 2dr3 s ILE 191 Cb 0.07 -0.33 0.01 0.00 0.01 0.00 0.00 42.46 42.23 2dr3 s ILE 191 CO 0.08 0.11 -0.18 -0.63 0.00 0.00 0.00 174.94 174.33 2dr3 s ILE 192 N 1.90 1.76 -0.18 2.92 1.01 0.32 -1.09 121.20 127.84 2dr3 s ILE 192 Ca -0.02 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 2dr3 s ILE 192 Cb -0.12 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 2dr3 s ILE 192 CO -0.07 0.49 0.08 -0.60 0.00 0.00 0.00 174.94 174.84 2dr3 s ARG 193 N 1.00 3.94 -0.19 2.79 3.00 -0.53 -1.43 118.95 127.54 2dr3 s ARG 193 Ca -0.05 -0.31 -0.05 0.00 -1.00 0.00 0.00 55.73 54.32 2dr3 s ARG 193 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 34.95 31.55 2dr3 s ARG 193 CO -0.04 0.33 -0.00 -0.51 0.00 0.00 0.00 175.30 175.08 2dr3 s LEU 194 N 0.22 3.28 0.20 -0.88 1.43 -0.07 -2.11 118.68 120.76 2dr3 s LEU 194 Ca 0.05 -0.17 0.10 0.00 -1.03 0.00 0.00 54.13 53.07 2dr3 s LEU 194 Cb -0.12 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2dr3 s LEU 194 CO 0.00 0.09 -0.19 -1.81 0.23 0.00 0.00 176.35 174.67 2dr3 s ASP 195 N 0.85 2.97 -0.26 2.29 1.11 0.15 -4.30 116.67 119.48 2dr3 s ASP 195 Ca 0.01 -0.92 -0.04 0.00 0.18 0.00 0.00 52.55 51.77 2dr3 s ASP 195 Cb -0.14 -0.20 0.09 0.00 1.07 0.00 0.00 42.92 43.74 2dr3 s ASP 195 CO 0.02 -0.02 0.13 -0.22 1.18 0.00 0.00 175.17 176.26 2dr3 s LEU 196 N -2.94 0.47 -0.05 1.23 2.96 -1.26 -1.88 118.68 117.22 2dr3 s LEU 196 Ca 0.20 -1.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.06 2dr3 s LEU 196 Cb -0.05 -0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.32 2dr3 s LEU 196 CO 0.09 -0.42 -0.25 -1.81 -1.32 0.00 0.00 176.35 172.64 2dr3 s ASP 197 N 2.12 3.12 -0.36 3.68 1.01 -0.63 -4.88 116.67 120.72 2dr3 s ASP 197 Ca 0.07 -0.49 -0.27 0.00 0.71 0.00 0.00 52.55 52.58 2dr3 s ASP 197 Cb -0.16 -0.74 0.02 0.00 1.01 0.00 0.00 42.92 43.05 2dr3 s ASP 197 CO -0.30 0.27 1.00 -0.70 0.21 0.00 0.00 175.17 175.64 2dr3 s GLU 198 N -0.28 3.92 -0.16 8.23 2.12 -1.26 -0.35 118.70 130.92 2dr3 s GLU 198 Ca 0.00 0.77 0.01 0.00 0.36 0.00 0.00 54.97 56.11 2dr3 s GLU 198 Cb -0.13 -3.78 0.02 0.00 0.26 0.00 0.00 34.13 30.50 2dr3 s GLU 198 CO 0.02 -0.95 -0.16 0.42 -0.54 0.00 0.00 175.26 174.05 2dr3 s ILE 199 N 3.61 1.75 -1.30 -3.70 1.01 0.13 -4.79 121.20 117.91 2dr3 s ILE 199 Ca 0.41 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 2dr3 s ILE 199 Cb -0.12 -1.61 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 2dr3 s ILE 199 CO 0.18 0.49 0.57 0.47 0.00 0.00 0.00 174.94 176.65 2dr3 n ASP 200 N 4.71 -2.23 0.00 3.58 8.00 -1.26 -1.89 116.55 127.47 2dr3 n ASP 200 Ca -0.18 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.30 2dr3 n ASP 200 Cb 0.50 -3.15 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 2dr3 n ASP 200 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dr3 n GLY 201 N -1.87 0.34 2.92 0.44 0.00 -1.26 -5.01 105.19 100.75 2dr3 n GLY 201 Ca -0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 2dr3 n GLY 201 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dr3 s GLU 202 N -0.68 0.32 -0.04 1.61 2.12 -0.79 -5.12 118.70 116.11 2dr3 s GLU 202 Ca 0.00 -0.12 -0.29 0.00 0.36 0.00 0.00 54.97 54.92 2dr3 s GLU 202 Cb 0.00 -0.33 -0.03 0.00 0.26 0.00 0.00 34.13 34.04 2dr3 s GLU 202 CO 0.00 0.06 0.94 -0.51 -0.54 0.00 0.00 175.26 175.21 2dr3 s LEU 203 N 0.02 4.32 -0.10 2.70 1.43 -1.26 0.20 118.68 125.99 2dr3 s LEU 203 Ca 0.00 1.54 0.03 0.00 -1.03 0.00 0.00 54.13 54.68 2dr3 s LEU 203 Cb -0.03 -3.48 -0.00 0.00 0.03 0.00 0.00 46.19 42.70 2dr3 s LEU 203 CO -0.00 -0.29 -0.22 -0.54 0.23 0.00 0.00 176.35 175.52 2dr3 s LYS 204 N 1.29 3.06 0.04 1.70 -0.14 0.52 -4.92 119.74 121.29 2dr3 s LYS 204 Ca 0.48 -0.84 -0.20 0.00 -1.36 0.00 0.00 55.97 54.05 2dr3 s LYS 204 Cb -0.20 -2.35 -0.06 0.00 -1.68 0.00 0.00 37.83 33.54 2dr3 s LYS 204 CO 0.23 0.21 0.57 1.03 -0.76 0.00 0.00 175.35 176.64 2dr3 s ARG 205 N 0.28 4.24 0.07 1.68 0.52 -1.26 -1.61 118.95 122.87 2dr3 s ARG 205 Ca -0.16 0.73 -0.15 0.00 -0.52 0.00 0.00 55.73 55.63 2dr3 s ARG 205 Cb -0.17 -3.28 0.03 0.00 0.52 0.00 0.00 34.95 32.05 2dr3 s ARG 205 CO 0.08 0.54 0.34 -1.54 0.02 0.00 0.00 175.30 174.74 2dr3 s SER 206 N -0.76 -0.17 0.06 0.23 1.04 -0.79 -2.63 113.70 110.68 2dr3 s SER 206 Ca 0.30 -0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.56 2dr3 s SER 206 Cb -0.19 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 2dr3 s SER 206 CO 0.18 -0.69 -0.15 -0.22 0.98 0.00 0.00 173.24 173.34 2dr3 s LEU 207 N -2.29 2.22 -0.14 2.42 0.20 0.23 -0.67 118.68 120.65 2dr3 s LEU 207 Ca -0.02 -0.54 -0.10 0.00 0.69 0.00 0.00 54.13 54.16 2dr3 s LEU 207 Cb 0.00 -0.59 0.04 0.00 -0.43 0.00 0.00 46.19 45.22 2dr3 s LEU 207 CO -0.06 -0.01 0.34 -0.51 -0.29 0.00 0.00 176.35 175.83 2dr3 s ILE 208 N -1.05 -0.01 -0.50 6.68 2.07 -0.90 -0.80 121.20 126.69 2dr3 s ILE 208 Ca 0.00 0.05 -0.20 0.00 -1.41 0.00 0.00 60.65 59.10 2dr3 s ILE 208 Cb -0.09 -0.50 0.05 0.00 0.13 0.00 0.00 42.46 42.05 2dr3 s ILE 208 CO 0.02 0.02 0.65 -0.69 -1.91 0.00 0.00 174.94 173.03 2dr3 s VAL 209 N 0.69 4.83 0.04 4.00 1.01 -1.26 -1.45 120.40 128.25 2dr3 s VAL 209 Ca -0.04 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 2dr3 s VAL 209 Cb -0.05 -4.31 -0.32 0.00 0.00 0.00 0.00 36.38 31.70 2dr3 s VAL 209 CO -0.05 -0.80 1.02 -0.25 0.00 0.00 0.00 175.10 175.02 2dr3 h TRP 210 N 9.01 0.76 -3.30 5.22 2.91 -1.47 -3.46 115.95 125.61 2dr3 h TRP 210 Ca -0.27 -0.55 -0.13 0.00 1.13 0.00 0.00 58.89 59.06 2dr3 h TRP 210 Cb 1.09 -0.03 -0.20 0.00 -0.51 0.00 0.00 29.16 29.51 2dr3 h TRP 210 CO 0.76 1.46 -0.40 0.21 -1.03 0.00 0.00 178.44 179.44 2dr3 s LYS 211 N -2.62 0.56 -0.39 2.65 2.20 -1.02 -4.92 119.74 116.20 2dr3 s LYS 211 Ca -0.08 -0.30 -0.00 0.00 -0.36 0.00 0.00 55.97 55.24 2dr3 s LYS 211 Cb 0.05 0.24 0.19 0.00 -1.51 0.00 0.00 37.83 36.80 2dr3 s LYS 211 CO 0.91 -0.14 0.85 1.41 -0.36 0.00 0.00 175.35 178.02 2dr3 s MET 212 N -1.33 0.55 0.40 4.03 1.75 -1.25 -0.32 119.30 123.12 2dr3 s MET 212 Ca -0.14 -0.29 -0.27 0.00 -1.25 0.00 0.00 55.69 53.74 2dr3 s MET 212 Cb -0.06 0.04 -0.10 0.00 2.84 0.00 0.00 34.83 37.54 2dr3 s MET 212 CO 0.03 -0.76 1.44 0.54 -0.65 0.00 0.00 175.02 175.62 2dr3 n ARG 213 N 3.74 2.46 0.00 4.11 1.74 -0.34 -2.97 116.66 125.41 2dr3 n ARG 213 Ca 0.10 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 2dr3 n ARG 213 Cb 0.60 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 2dr3 n ARG 213 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dr3 n GLY 214 N 0.54 0.06 3.63 -0.13 0.00 -1.26 -4.76 105.19 103.27 2dr3 n GLY 214 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 2dr3 n GLY 214 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dr3 s THR 215 N -2.02 0.00 0.65 2.61 -1.32 -1.16 -4.95 115.64 109.45 2dr3 s THR 215 Ca 0.00 -0.37 -0.07 0.00 -1.21 0.00 0.00 61.69 60.04 2dr3 s THR 215 Cb 0.00 -1.50 0.03 0.00 -1.51 0.00 0.00 72.50 69.52 2dr3 s THR 215 CO 0.00 0.00 0.97 -0.94 -2.21 0.00 0.00 174.62 172.44 2dr3 s SER 216 N -2.75 5.27 0.11 8.08 1.04 -1.26 -4.81 113.70 119.38 2dr3 s SER 216 Ca 0.08 0.66 -0.26 0.00 0.48 0.00 0.00 55.95 56.91 2dr3 s SER 216 Cb -0.02 -1.50 0.07 0.00 0.10 0.00 0.00 66.02 64.68 2dr3 s SER 216 CO -0.03 -1.31 0.94 -1.38 0.98 0.00 0.00 173.24 172.44 2dr3 s HIS 217 N -3.13 -0.18 0.25 5.02 -0.00 -1.26 -4.42 115.29 111.56 2dr3 s HIS 217 Ca 0.57 -0.08 -0.31 0.00 -0.00 0.00 0.00 55.06 55.24 2dr3 s HIS 217 Cb -0.11 0.61 -0.12 0.00 -0.00 0.00 0.00 32.58 32.96 2dr3 s HIS 217 CO 0.46 -0.75 1.60 0.45 -0.00 0.00 0.00 174.74 176.49 2dr3 n SER 218 N -0.42 3.61 -1.54 7.38 2.88 -0.14 -4.86 113.62 120.54 2dr3 n SER 218 Ca -0.07 1.12 0.08 0.00 -1.33 0.00 0.00 58.87 58.67 2dr3 n SER 218 Cb 0.61 -1.54 0.33 0.00 -0.75 0.00 0.00 64.21 62.86 2dr3 n SER 218 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2dr3 n MET 219 N 2.76 3.73 -4.25 -1.46 0.00 -1.26 -4.49 117.12 112.14 2dr3 n MET 219 Ca 0.12 -2.64 -0.25 0.00 0.00 0.00 0.00 57.70 54.93 2dr3 n MET 219 Cb 0.34 -1.93 -0.08 0.00 0.00 0.00 0.00 33.22 31.56 2dr3 n MET 219 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2dr3 s ARG 220 N -2.01 2.30 -0.23 0.03 0.52 -1.26 -5.02 118.95 113.28 2dr3 s ARG 220 Ca 0.47 -1.25 -0.21 0.00 -0.52 0.00 0.00 55.73 54.22 2dr3 s ARG 220 Cb 0.32 -2.25 -0.02 0.00 0.52 0.00 0.00 34.95 33.52 2dr3 s ARG 220 CO 0.20 0.42 0.66 0.50 0.02 0.00 0.00 175.30 177.10 2dr3 s ARG 221 N -3.19 4.15 -0.09 3.54 3.52 -1.26 -4.54 118.95 121.07 2dr3 s ARG 221 Ca 0.28 0.63 0.00 0.00 -0.13 0.00 0.00 55.73 56.51 2dr3 s ARG 221 Cb -0.08 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 2dr3 s ARG 221 CO 0.18 -0.37 -0.09 -1.01 -0.81 0.00 0.00 175.30 173.20 2dr3 s HIS 222 N 2.37 2.89 0.59 5.12 3.76 0.02 -0.72 115.29 129.32 2dr3 s HIS 222 Ca 0.28 -0.18 -0.15 0.00 -0.15 0.00 0.00 55.06 54.86 2dr3 s HIS 222 Cb -0.16 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 2dr3 s HIS 222 CO 0.09 0.15 1.04 -1.25 -0.85 0.00 0.00 174.74 173.91 2dr3 s PRO 223 N -0.38 3.45 0.18 8.40 0.04 -1.26 -0.60 135.00 144.83 2dr3 s PRO 223 Ca 0.05 1.06 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 2dr3 s PRO 223 Cb -0.12 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2dr3 s PRO 223 CO 0.02 -0.70 0.38 -0.59 0.04 0.00 0.00 177.00 176.16 2dr3 s PHE 224 N -2.66 0.21 0.07 0.56 -0.71 -1.08 -1.95 117.98 112.42 2dr3 s PHE 224 Ca 0.61 -0.57 0.06 0.00 -1.04 0.00 0.00 56.93 55.99 2dr3 s PHE 224 Cb -0.14 0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 2dr3 s PHE 224 CO 0.40 -0.80 -0.16 -0.51 -1.34 0.00 0.00 175.22 172.81 2dr3 s ASP 225 N -2.94 1.86 -0.16 1.98 1.01 -0.46 -4.48 116.67 113.48 2dr3 s ASP 225 Ca 0.14 -0.59 -0.07 0.00 0.71 0.00 0.00 52.55 52.74 2dr3 s ASP 225 Cb 0.02 -0.08 -0.04 0.00 1.01 0.00 0.00 42.92 43.82 2dr3 s ASP 225 CO -0.01 -0.02 0.08 -0.63 0.21 0.00 0.00 175.17 174.81 2dr3 s ILE 226 N -1.15 5.00 0.00 0.77 1.01 -1.26 -1.63 121.20 123.94 2dr3 s ILE 226 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2dr3 s ILE 226 Cb -0.09 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2dr3 s ILE 226 CO 0.02 0.50 0.00 0.35 0.00 0.00 0.00 174.94 175.82 2dr3 n THR 227 N 3.09 0.00 0.17 2.92 -2.24 0.12 -4.99 114.28 113.35 2dr3 n THR 227 Ca -0.17 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 2dr3 n THR 227 Cb 0.53 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 69.06 2dr3 n THR 227 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2dr3 h ASP 228 N 0.00 0.00 -0.64 3.42 3.45 -1.97 -2.81 116.42 117.87 2dr3 h ASP 228 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2dr3 h ASP 228 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2dr3 h ASP 228 CO 0.00 0.46 0.00 0.29 -1.57 0.00 0.00 179.24 178.42 2dr3 n LYS 229 N -3.82 3.39 0.00 3.56 5.02 -1.26 -4.54 118.16 120.50 2dr3 n LYS 229 Ca -0.01 -2.68 0.00 0.00 -2.02 0.00 0.00 58.31 53.59 2dr3 n LYS 229 Cb 0.50 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2dr3 n LYS 229 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dr3 n GLY 230 N 1.23 -0.51 3.84 0.72 0.00 -1.06 -5.01 105.19 104.40 2dr3 n GLY 230 Ca 0.24 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 2dr3 n GLY 230 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dr3 s ILE 231 N 0.00 4.96 -0.10 -0.61 1.01 -1.26 0.16 121.20 125.35 2dr3 s ILE 231 Ca 0.00 0.80 -0.01 0.00 0.00 0.00 0.00 60.65 61.44 2dr3 s ILE 231 Cb 0.00 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.77 2dr3 s ILE 231 CO 0.00 0.42 -0.02 -0.63 0.00 0.00 0.00 174.94 174.71 2dr3 s ILE 232 N -1.26 0.64 0.01 2.92 1.01 -0.65 -4.24 121.20 119.64 2dr3 s ILE 232 Ca 0.30 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.83 2dr3 s ILE 232 Cb -0.16 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2dr3 s ILE 232 CO 0.17 0.23 0.04 -0.69 0.00 0.00 0.00 174.94 174.69 2dr3 s VAL 233 N 1.86 4.39 -0.51 2.92 1.01 0.03 -1.36 120.40 128.74 2dr3 s VAL 233 Ca 0.04 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 2dr3 s VAL 233 Cb -0.13 -3.00 0.13 0.00 0.00 0.00 0.00 36.38 33.38 2dr3 s VAL 233 CO -0.07 0.33 0.35 -0.31 0.00 0.00 0.00 175.10 175.41 2dr3 s TYR 234 N -1.16 3.49 0.55 5.22 1.51 -0.82 -3.86 117.35 122.27 2dr3 s TYR 234 Ca 0.22 -2.18 0.22 0.00 -1.01 0.00 0.00 57.07 54.31 2dr3 s TYR 234 Cb -0.12 -3.40 1.48 0.00 -0.11 0.00 0.00 41.96 39.82 2dr3 s TYR 234 CO 0.13 -0.96 2.17 -1.35 -1.11 0.00 0.00 175.55 174.43 2dr3 h PRO 235 N 8.04 0.00 -0.56 -1.71 0.11 -1.88 -2.37 132.00 133.62 2dr3 h PRO 235 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2dr3 h PRO 235 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2dr3 h PRO 235 CO 0.78 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.32 2dr3 n ASP 236 N -4.26 3.21 -4.38 -2.05 8.00 -1.26 -4.88 116.55 110.93 2dr3 n ASP 236 Ca -0.02 -1.98 -0.29 0.00 0.71 0.00 0.00 54.79 53.21 2dr3 n ASP 236 Cb 0.14 -0.37 -0.13 0.00 -0.02 0.00 0.00 41.12 40.73 2dr3 n ASP 236 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2dr3 s LYS 237 N -1.26 1.48 -0.02 -1.24 1.02 -0.89 -5.14 119.74 113.68 2dr3 s LYS 237 Ca 0.40 -1.30 0.01 0.00 0.02 0.00 0.00 55.97 55.10 2dr3 s LYS 237 Cb 0.21 -1.91 0.01 0.00 -0.52 0.00 0.00 37.83 35.62 2dr3 s LYS 237 CO 0.28 0.46 -0.05 0.54 -0.92 0.00 0.00 175.35 175.67 2dr3 s VAL 238 N -1.01 0.47 -0.75 3.17 0.11 -1.26 -4.31 120.40 116.83 2dr3 s VAL 238 Ca 0.14 -0.17 -0.10 0.00 -2.93 0.00 0.00 61.98 58.92 2dr3 s VAL 238 Cb -0.10 -0.46 0.20 0.00 -1.53 0.00 0.00 36.38 34.49 2dr3 s VAL 238 CO 0.05 0.17 0.64 -0.22 -3.33 0.00 0.00 175.10 172.41 2dr3 s LEU 239 N 0.41 6.17 0.00 2.54 2.96 0.10 -4.89 118.68 125.96 2dr3 s LEU 239 Ca -0.05 -2.75 0.00 0.00 -0.22 0.00 0.00 54.13 51.11 2dr3 s LEU 239 Cb -0.09 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.53 2dr3 s LEU 239 CO -0.00 -0.49 0.77 0.29 -1.32 0.00 0.00 176.35 175.59 2dr3 n LYS 240 N 3.79 0.00 -3.15 1.98 5.02 -1.23 -4.74 118.16 119.82 2dr3 n LYS 240 Ca 0.11 0.50 0.05 0.00 -2.02 0.00 0.00 58.31 56.95 2dr3 n LYS 240 Cb 0.43 -1.38 -0.00 0.00 -0.02 0.00 0.00 35.03 34.06 2dr3 n LYS 240 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2dr3 s ARG 241 N -2.53 0.25 0.00 1.97 6.06 -1.26 -5.01 118.95 118.44 2dr3 s ARG 241 Ca 0.00 0.27 0.00 0.00 -2.50 0.00 0.00 55.73 53.50 2dr3 s ARG 241 Cb 0.00 0.13 0.00 0.00 0.06 0.00 0.00 34.95 35.14 2dr3 s ARG 241 CO 0.00 -0.46 0.00 0.41 -2.50 0.00 0.00 175.30 172.75 2dr3 n GLY 242 N 5.21 2.42 0.75 8.12 0.00 -1.26 -5.16 105.19 115.27 2dr3 n GLY 242 Ca 0.07 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.41 2dr3 n GLY 242 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49