#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he6 s VAL 4 N 0.00 3.84 0.00 0.00 1.01 -1.26 -3.40 120.40 120.59 3he6 s VAL 4 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3he6 s VAL 4 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3he6 s VAL 4 CO 0.00 0.18 -0.00 -0.89 0.00 0.00 0.00 175.10 174.39 3he6 s THR 5 N 1.50 4.13 -0.01 3.92 2.01 -0.12 -4.32 115.64 122.74 3he6 s THR 5 Ca 0.03 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.45 3he6 s THR 5 Cb -0.16 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 3he6 s THR 5 CO 0.01 0.37 -0.13 -1.10 -0.69 0.00 0.00 174.62 173.08 3he6 s GLN 6 N -1.57 1.09 -0.05 4.92 -0.21 -1.26 -1.34 119.66 121.25 3he6 s GLN 6 Ca 0.20 -0.46 -0.05 0.00 0.02 0.00 0.00 55.36 55.06 3he6 s GLN 6 Cb -0.11 -1.05 0.01 0.00 1.00 0.00 0.00 33.01 32.86 3he6 s GLN 6 CO 0.10 0.26 0.14 -1.54 -2.12 0.00 0.00 175.29 172.13 3he6 s SER 7 N -0.24 -0.12 0.98 5.90 1.04 -0.51 -4.50 113.70 116.25 3he6 s SER 7 Ca 0.04 0.22 -0.16 0.00 0.48 0.00 0.00 55.95 56.52 3he6 s SER 7 Cb -0.06 0.27 0.20 0.00 0.10 0.00 0.00 66.02 66.54 3he6 s SER 7 CO -0.00 -0.09 1.28 -2.16 0.98 0.00 0.00 173.24 173.25 3he6 s PRO 8 N -0.11 0.49 -0.15 4.02 0.04 -1.26 -0.74 135.00 137.29 3he6 s PRO 8 Ca -0.02 -0.30 0.08 0.00 0.04 0.00 0.00 61.00 60.79 3he6 s PRO 8 Cb -0.02 -1.82 -0.23 0.00 0.04 0.00 0.00 34.50 32.47 3he6 s PRO 8 CO 0.00 -2.53 0.23 0.54 0.04 0.00 0.00 177.00 175.29 3he6 n ARG 9 N -3.87 0.68 -4.68 4.56 5.12 -1.26 -4.65 116.66 112.55 3he6 n ARG 9 Ca 0.14 0.17 -0.25 0.00 -1.93 0.00 0.00 57.85 55.99 3he6 n ARG 9 Cb 0.60 -1.64 -0.14 0.00 -1.16 0.00 0.00 32.46 30.11 3he6 n ARG 9 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3he6 s ASN 10 N -6.22 2.24 -0.12 0.55 0.01 -1.26 -0.85 114.94 109.28 3he6 s ASN 10 Ca -0.17 -0.45 -0.16 0.00 -0.71 0.00 0.00 52.86 51.38 3he6 s ASN 10 Cb 0.07 -0.20 0.04 0.00 0.41 0.00 0.00 41.25 41.57 3he6 s ASN 10 CO 0.76 0.16 0.42 -0.75 -1.51 0.00 0.00 177.10 176.18 3he6 s LYS 11 N -0.91 0.57 -0.11 -0.60 2.47 -0.39 -4.95 119.74 115.82 3he6 s LYS 11 Ca 0.06 0.38 0.01 0.00 -1.56 0.00 0.00 55.97 54.86 3he6 s LYS 11 Cb -0.08 0.27 0.02 0.00 -1.46 0.00 0.00 37.83 36.58 3he6 s LYS 11 CO 0.01 -0.11 -0.11 0.08 0.16 0.00 0.00 175.35 175.38 3he6 s VAL 12 N -0.24 1.22 0.34 4.02 1.01 -1.26 -1.78 120.40 123.71 3he6 s VAL 12 Ca -0.04 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3he6 s VAL 12 Cb -0.03 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 3he6 s VAL 12 CO 0.02 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.52 3he6 s ALA 13 N 1.37 2.65 0.21 5.51 0.00 0.82 -4.92 121.76 127.40 3he6 s ALA 13 Ca -0.00 -2.10 0.07 0.00 0.00 0.00 0.00 51.96 49.93 3he6 s ALA 13 Cb -0.13 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 3he6 s ALA 13 CO -0.06 -0.16 0.10 0.08 0.00 0.00 0.00 175.76 175.72 3he6 s VAL 14 N -3.00 4.12 0.08 0.00 1.01 -1.26 -1.43 120.40 119.92 3he6 s VAL 14 Ca 0.34 -1.41 -0.31 0.00 0.00 0.00 0.00 61.98 60.61 3he6 s VAL 14 Cb 0.07 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 3he6 s VAL 14 CO 0.15 -0.23 1.89 -0.89 0.00 0.00 0.00 175.10 176.02 3he6 s THR 15 N -1.97 2.77 0.00 3.92 2.01 -0.76 -1.84 115.64 119.78 3he6 s THR 15 Ca 0.31 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.35 3he6 s THR 15 Cb -0.09 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.39 3he6 s THR 15 CO 0.22 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 3he6 n GLY 16 N 4.38 0.78 3.94 4.40 0.00 0.13 -4.92 105.19 113.90 3he6 n GLY 16 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 3he6 n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3he6 s GLY 17 N -1.70 1.68 -0.15 -0.02 0.00 -0.76 -4.58 107.32 101.79 3he6 s GLY 17 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 44.72 43.63 3he6 s GLY 17 CO 0.00 -0.73 0.11 1.25 0.00 0.00 0.00 173.10 173.73 3he6 s LYS 18 N -4.87 3.72 -0.06 2.90 2.20 -1.26 -1.34 119.74 121.04 3he6 s LYS 18 Ca 0.55 -0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 55.92 3he6 s LYS 18 Cb -0.10 -3.23 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 3he6 s LYS 18 CO 0.41 0.54 0.05 0.08 -0.36 0.00 0.00 175.35 176.07 3he6 s VAL 19 N -0.35 -0.01 -0.17 4.02 1.01 -0.67 -4.99 120.40 119.24 3he6 s VAL 19 Ca 0.11 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 3he6 s VAL 19 Cb -0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 3he6 s VAL 19 CO 0.01 0.16 0.03 -0.89 0.00 0.00 0.00 175.10 174.41 3he6 s THR 20 N 2.13 4.54 -0.19 3.92 2.01 -1.26 0.20 115.64 127.00 3he6 s THR 20 Ca 0.05 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 3he6 s THR 20 Cb -0.12 -3.03 -0.00 0.00 0.01 0.00 0.00 72.50 69.35 3he6 s THR 20 CO -0.04 0.47 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.51 3he6 s LEU 21 N 0.33 2.69 -0.19 4.42 1.43 0.12 -4.68 118.68 122.79 3he6 s LEU 21 Ca 0.01 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 3he6 s LEU 21 Cb -0.13 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3he6 s LEU 21 CO 0.01 0.03 0.06 -0.44 0.23 0.00 0.00 176.35 176.25 3he6 s SER 22 N 1.13 5.58 0.08 2.29 0.01 0.08 -0.92 113.70 121.96 3he6 s SER 22 Ca 0.01 0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.38 3he6 s SER 22 Cb -0.14 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 3he6 s SER 22 CO -0.03 0.15 -0.06 0.00 0.41 0.00 0.00 173.24 173.71 3he6 s ASN 24 N -2.08 -0.30 -0.01 0.00 3.84 -0.45 -2.55 114.94 113.40 3he6 s ASN 24 Ca 0.22 0.57 0.00 0.00 0.21 0.00 0.00 52.86 53.86 3he6 s ASN 24 Cb -0.11 0.53 0.01 0.00 -0.55 0.00 0.00 41.25 41.13 3he6 s ASN 24 CO 0.14 -0.12 0.01 0.00 -2.79 0.00 0.00 177.10 174.33 3he6 s GLN 25 N 0.57 0.02 0.00 0.43 1.03 -0.74 -0.95 119.66 120.02 3he6 s GLN 25 Ca -0.03 0.07 0.18 0.00 0.04 0.00 0.00 55.36 55.61 3he6 s GLN 25 Cb -0.05 -0.13 0.50 0.00 0.03 0.00 0.00 33.01 33.36 3he6 s GLN 25 CO -0.03 -0.06 1.42 0.25 -2.54 0.00 0.00 175.29 174.32 3he6 n THR 26 N 3.53 0.97 0.23 3.63 -2.24 -1.22 -4.48 114.28 114.70 3he6 n THR 26 Ca -0.19 -0.98 0.12 0.00 -2.27 0.00 0.00 64.05 60.73 3he6 n THR 26 Cb 0.56 0.53 0.19 0.00 -2.10 0.00 0.00 70.33 69.51 3he6 n THR 26 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3he6 h ASN 27 N 3.41 0.00 -1.40 3.42 2.35 -1.96 -3.48 115.58 117.92 3he6 h ASN 27 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 3he6 h ASN 27 Cb 0.89 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 3he6 h ASN 27 CO 0.00 0.00 -0.26 -3.20 -1.65 0.00 0.00 177.43 172.32 3he6 n ASN 28 N -3.09 -3.59 -4.84 5.81 5.15 -1.26 -5.04 115.26 108.40 3he6 n ASN 28 Ca 0.04 0.02 -0.30 0.00 -0.60 0.00 0.00 54.58 53.74 3he6 n ASN 28 Cb 0.52 -2.75 0.07 0.00 -0.53 0.00 0.00 39.78 37.09 3he6 n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3he6 s HIS 29 N -2.51 3.04 -0.23 1.20 3.76 -1.26 -5.02 115.29 114.26 3he6 s HIS 29 Ca 0.00 1.12 -0.05 0.00 -0.15 0.00 0.00 55.06 55.98 3he6 s HIS 29 Cb 0.00 -3.09 -0.18 0.00 1.11 0.00 0.00 32.58 30.42 3he6 s HIS 29 CO 0.00 -1.51 -0.09 0.09 -0.85 0.00 0.00 174.74 172.38 3he6 n ASN 30 N -3.25 2.00 -4.64 1.40 3.02 -1.26 -4.92 115.26 107.61 3he6 n ASN 30 Ca 0.07 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.28 3he6 n ASN 30 Cb 0.56 -0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 39.05 3he6 n ASN 30 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3he6 s ASN 31 N -6.87 6.80 0.02 6.41 0.01 -1.25 -2.96 114.94 117.10 3he6 s ASN 31 Ca -0.33 0.96 0.09 0.00 -0.71 0.00 0.00 52.86 52.87 3he6 s ASN 31 Cb 0.09 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.30 3he6 s ASN 31 CO 0.61 -0.54 -0.26 -0.04 -1.51 0.00 0.00 177.10 175.36 3he6 s MET 32 N 2.88 1.91 0.17 -0.60 -1.94 -0.79 -1.52 119.30 119.42 3he6 s MET 32 Ca 0.34 -1.04 0.07 0.00 -1.71 0.00 0.00 55.69 53.36 3he6 s MET 32 Cb -0.15 -1.99 -0.04 0.00 2.01 0.00 0.00 34.83 34.66 3he6 s MET 32 CO 0.09 0.53 -0.14 0.71 -0.01 0.00 0.00 175.02 176.19 3he6 s TYR 33 N -0.73 1.62 -0.21 -0.03 1.51 0.09 -0.53 117.35 119.06 3he6 s TYR 33 Ca 0.11 -0.57 -0.01 0.00 -1.01 0.00 0.00 57.07 55.58 3he6 s TYR 33 Cb -0.10 -0.78 0.06 0.00 -0.11 0.00 0.00 41.96 41.03 3he6 s TYR 33 CO 0.01 0.28 0.00 -1.58 -1.11 0.00 0.00 175.55 173.15 3he6 s TRP 34 N -2.69 1.59 0.31 2.71 0.52 -0.13 -2.39 118.94 118.86 3he6 s TRP 34 Ca 0.18 -1.24 0.07 0.00 0.02 0.00 0.00 56.10 55.13 3he6 s TRP 34 Cb -0.02 -1.27 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 3he6 s TRP 34 CO 0.05 -0.68 0.37 0.71 0.02 0.00 0.00 176.95 177.42 3he6 s TYR 35 N 1.67 3.12 0.03 -1.98 1.51 0.65 -0.40 117.35 121.95 3he6 s TYR 35 Ca -0.03 -0.19 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 3he6 s TYR 35 Cb -0.18 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 3he6 s TYR 35 CO -0.08 0.19 -0.12 -0.98 -1.11 0.00 0.00 175.55 173.46 3he6 s ARG 36 N -4.05 0.80 -0.15 -0.62 1.70 -0.49 -1.63 118.95 114.51 3he6 s ARG 36 Ca 0.40 -0.65 0.01 0.00 -0.47 0.00 0.00 55.73 55.02 3he6 s ARG 36 Cb -0.08 -0.76 -0.00 0.00 -0.57 0.00 0.00 34.95 33.54 3he6 s ARG 36 CO 0.29 0.19 -0.16 -1.14 -1.08 0.00 0.00 175.30 173.39 3he6 s GLN 37 N -1.00 3.22 0.02 3.89 0.74 0.85 -2.15 119.66 125.24 3he6 s GLN 37 Ca -0.00 -0.75 0.01 0.00 0.05 0.00 0.00 55.36 54.66 3he6 s GLN 37 Cb -0.07 -2.59 -0.02 0.00 1.10 0.00 0.00 33.01 31.43 3he6 s GLN 37 CO 0.01 0.06 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.25 3he6 s ASP 38 N 0.71 0.41 0.30 6.67 1.01 -1.26 -3.24 116.67 121.27 3he6 s ASP 38 Ca -0.07 -0.37 -0.29 0.00 0.71 0.00 0.00 52.55 52.52 3he6 s ASP 38 Cb -0.16 0.04 -0.13 0.00 1.01 0.00 0.00 42.92 43.69 3he6 s ASP 38 CO 0.01 -0.18 1.25 0.35 0.21 0.00 0.00 175.17 176.81 3he6 n THR 39 N 1.99 1.69 -1.00 -1.27 -2.24 -1.26 -1.57 114.28 110.63 3he6 n THR 39 Ca -0.20 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3he6 n THR 39 Cb 0.56 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 3he6 n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3he6 n GLY 40 N 1.28 0.35 0.47 3.38 0.00 -1.26 -4.90 105.19 104.51 3he6 n GLY 40 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 3he6 n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3he6 n HIS 41 N -2.69 0.00 0.00 1.61 -0.00 -0.61 -5.14 115.22 108.39 3he6 n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3he6 n HIS 41 Cb 0.15 -0.53 0.00 0.00 -0.00 0.00 0.00 29.99 29.61 3he6 n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3he6 n GLY 42 N 2.20 -2.15 3.77 -1.41 0.00 -1.26 -4.95 105.19 101.39 3he6 n GLY 42 Ca -0.28 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 3he6 n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3he6 n LEU 43 N -1.64 5.20 -4.00 0.99 4.32 -1.26 -4.68 117.00 115.93 3he6 n LEU 43 Ca 0.00 1.12 -0.27 0.00 -0.02 0.00 0.00 56.01 56.85 3he6 n LEU 43 Cb 0.00 -1.61 -0.17 0.00 -1.62 0.00 0.00 43.42 40.02 3he6 n LEU 43 CO 0.00 -0.12 -0.47 -0.13 -1.22 0.00 0.00 177.39 175.45 3he6 s ARG 44 N -2.46 1.81 -0.01 3.23 0.52 -0.91 -4.93 118.95 116.19 3he6 s ARG 44 Ca 0.61 -0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 55.11 3he6 s ARG 44 Cb -0.45 -1.62 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 3he6 s ARG 44 CO 0.57 -0.09 1.25 -1.17 0.02 0.00 0.00 175.30 175.88 3he6 s LEU 45 N 1.09 4.31 -0.27 2.53 2.96 -1.26 -1.40 118.68 126.64 3he6 s LEU 45 Ca -0.06 1.94 -0.15 0.00 -0.22 0.00 0.00 54.13 55.64 3he6 s LEU 45 Cb -0.14 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 42.86 3he6 s LEU 45 CO -0.02 -0.59 -0.30 -0.38 -1.32 0.00 0.00 176.35 173.73 3he6 n ILE 46 N 4.47 1.53 -3.70 6.68 5.41 0.47 -1.07 119.36 133.14 3he6 n ILE 46 Ca 0.11 -0.33 -0.14 0.00 1.00 0.00 0.00 62.75 63.39 3he6 n ILE 46 Cb 0.46 -1.92 -0.09 0.00 -0.71 0.00 0.00 39.64 37.38 3he6 n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3he6 s HIS 47 N -2.51 -0.41 0.22 1.39 3.76 -1.24 -0.06 115.29 116.43 3he6 s HIS 47 Ca -0.37 0.86 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 3he6 s HIS 47 Cb 0.14 0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.97 3he6 s HIS 47 CO 0.49 -0.36 0.15 1.52 -0.85 0.00 0.00 174.74 175.70 3he6 s TYR 48 N -0.58 1.24 -0.11 1.40 1.13 -0.56 -0.95 117.35 118.92 3he6 s TYR 48 Ca -0.07 -1.41 -0.14 0.00 -1.41 0.00 0.00 57.07 54.04 3he6 s TYR 48 Cb -0.03 -0.59 0.03 0.00 -1.10 0.00 0.00 41.96 40.27 3he6 s TYR 48 CO 0.04 -0.67 0.37 0.45 -2.51 0.00 0.00 175.55 173.23 3he6 s SER 49 N -3.19 -0.35 -0.02 -0.18 0.15 0.31 0.03 113.70 110.44 3he6 s SER 49 Ca 0.39 0.62 0.16 0.00 0.70 0.00 0.00 55.95 57.82 3he6 s SER 49 Cb 0.06 0.67 0.48 0.00 -1.71 0.00 0.00 66.02 65.52 3he6 s SER 49 CO 0.14 -0.20 1.40 -1.22 1.20 0.00 0.00 173.24 174.56 3he6 n TYR 50 N 2.51 0.77 -0.05 3.44 4.01 -1.26 -1.88 117.16 124.69 3he6 n TYR 50 Ca -0.15 -0.53 0.00 0.00 -0.16 0.00 0.00 57.90 57.06 3he6 n TYR 50 Cb 0.57 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 3he6 n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3he6 n GLY 51 N 0.94 -0.11 3.70 2.72 0.00 -1.15 -4.70 105.19 106.59 3he6 n GLY 51 Ca 0.18 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 3he6 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3he6 n ALA 52 N -0.71 2.33 -0.32 4.61 0.00 -1.26 -2.32 120.51 122.84 3he6 n ALA 52 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3he6 n ALA 52 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 16.92 3he6 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3he6 n GLY 53 N 4.04 1.27 3.67 0.00 0.00 0.12 -4.98 105.19 109.31 3he6 n GLY 53 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3he6 n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3he6 s SER 54 N -3.10 4.99 -0.05 1.61 1.04 -0.98 -4.93 113.70 112.28 3he6 s SER 54 Ca 0.00 -0.12 -0.17 0.00 0.48 0.00 0.00 55.95 56.14 3he6 s SER 54 Cb 0.00 -1.22 0.03 0.00 0.10 0.00 0.00 66.02 64.94 3he6 s SER 54 CO 0.00 0.22 0.38 0.28 0.98 0.00 0.00 173.24 175.10 3he6 s THR 55 N -1.20 0.04 0.01 2.02 -1.32 -1.26 -4.40 115.64 109.52 3he6 s THR 55 Ca 0.23 -0.30 -0.06 0.00 -1.21 0.00 0.00 61.69 60.34 3he6 s THR 55 Cb -0.12 -0.65 -0.00 0.00 -1.51 0.00 0.00 72.50 70.22 3he6 s THR 55 CO 0.14 -0.17 0.11 -1.61 -2.21 0.00 0.00 174.62 170.89 3he6 s GLU 56 N -0.94 0.47 0.05 7.08 0.41 0.10 -4.97 118.70 120.91 3he6 s GLU 56 Ca -0.10 -0.46 -0.30 0.00 -0.41 0.00 0.00 54.97 53.70 3he6 s GLU 56 Cb -0.04 0.19 -0.04 0.00 -1.78 0.00 0.00 34.13 32.46 3he6 s GLU 56 CO 0.04 -0.11 0.97 0.15 -0.49 0.00 0.00 175.26 175.82 3he6 s LYS 57 N -1.51 4.62 0.00 1.61 1.02 -1.26 -1.50 119.74 122.71 3he6 s LYS 57 Ca -0.14 1.44 0.00 0.00 0.02 0.00 0.00 55.97 57.28 3he6 s LYS 57 Cb -0.07 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 3he6 s LYS 57 CO 0.01 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 3he6 n GLY 58 N 2.60 1.18 0.12 -3.33 0.00 0.91 -4.74 105.19 101.93 3he6 n GLY 58 Ca 0.04 -1.58 0.04 0.00 0.00 0.00 0.00 46.02 44.53 3he6 n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3he6 h ASP 59 N 0.00 0.00 -1.72 1.61 3.32 -1.31 -3.40 116.42 114.92 3he6 h ASP 59 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 3he6 h ASP 59 Cb 0.00 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.14 3he6 h ASP 59 CO 0.00 0.36 -1.03 2.30 -1.72 0.00 0.00 179.24 179.15 3he6 n ILE 60 N -2.91 1.11 1.63 0.35 -5.35 -0.77 -4.94 119.36 108.48 3he6 n ILE 60 Ca -0.04 -4.41 0.15 0.00 -0.27 0.00 0.00 62.75 58.18 3he6 n ILE 60 Cb 0.72 -0.36 0.70 0.00 -1.74 0.00 0.00 39.64 38.96 3he6 n ILE 60 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 3he6 n PRO 61 N -0.01 1.04 -1.68 6.28 -0.04 -1.24 -4.67 135.00 134.69 3he6 n PRO 61 Ca 0.24 -0.34 -0.42 0.00 -0.04 0.00 0.00 63.50 62.93 3he6 n PRO 61 Cb 0.65 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 3he6 n PRO 61 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3he6 s ASP 62 N -2.20 6.31 0.00 3.54 -0.00 -1.26 -1.50 116.67 121.56 3he6 s ASP 62 Ca 0.38 2.54 0.00 0.00 -0.00 0.00 0.00 52.55 55.46 3he6 s ASP 62 Cb 0.21 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.60 3he6 s ASP 62 CO 0.40 -1.18 0.00 0.61 -0.00 0.00 0.00 175.17 175.00 3he6 n GLY 63 N 4.71 0.37 3.10 0.21 0.00 -1.26 -5.06 105.19 107.25 3he6 n GLY 63 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3he6 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3he6 s TYR 65 N -2.00 2.06 -0.08 1.61 2.02 -0.56 -4.27 117.35 116.12 3he6 s TYR 65 Ca 0.00 -0.90 -0.02 0.00 -0.37 0.00 0.00 57.07 55.77 3he6 s TYR 65 Cb 0.00 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 3he6 s TYR 65 CO 0.00 -0.43 0.03 0.15 -1.57 0.00 0.00 175.55 173.73 3he6 s LYS 66 N 0.75 3.05 0.37 -0.62 1.02 -0.80 -4.95 119.74 118.56 3he6 s LYS 66 Ca -0.11 -0.37 0.08 0.00 0.02 0.00 0.00 55.97 55.58 3he6 s LYS 66 Cb -0.16 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 3he6 s LYS 66 CO 0.02 0.71 0.22 0.00 -0.92 0.00 0.00 175.35 175.38 3he6 s ALA 67 N -0.93 3.68 -0.19 5.17 0.00 -1.26 -0.13 121.76 128.09 3he6 s ALA 67 Ca 0.14 -1.89 -0.17 0.00 0.00 0.00 0.00 51.96 50.05 3he6 s ALA 67 Cb -0.11 -0.76 0.05 0.00 0.00 0.00 0.00 23.12 22.30 3he6 s ALA 67 CO 0.03 -0.07 0.51 -1.54 0.00 0.00 0.00 175.76 174.69 3he6 s SER 68 N -3.94 -0.55 -0.59 0.00 1.04 -0.69 -4.94 113.70 104.05 3he6 s SER 68 Ca 0.41 1.04 0.04 0.00 0.48 0.00 0.00 55.95 57.92 3he6 s SER 68 Cb -0.02 1.03 0.14 0.00 0.10 0.00 0.00 66.02 67.28 3he6 s SER 68 CO 0.24 -0.18 0.34 -0.60 0.98 0.00 0.00 173.24 174.03 3he6 s ARG 69 N 0.42 2.16 0.29 4.02 6.06 -1.26 -1.86 118.95 128.78 3he6 s ARG 69 Ca -0.01 -2.87 -0.01 0.00 -2.50 0.00 0.00 55.73 50.34 3he6 s ARG 69 Cb -0.04 -3.37 0.44 0.00 0.06 0.00 0.00 34.95 32.05 3he6 s ARG 69 CO -0.01 -1.17 1.88 -1.35 -2.50 0.00 0.00 175.30 172.15 3he6 h PRO 70 N 6.14 0.88 -3.90 5.12 0.11 -1.95 0.35 132.00 138.75 3he6 h PRO 70 Ca -0.00 -0.13 -0.11 0.00 0.11 0.00 0.00 66.00 65.87 3he6 h PRO 70 Cb 0.85 -0.16 -0.11 0.00 0.11 0.00 0.00 31.00 31.68 3he6 h PRO 70 CO 0.70 0.71 -0.28 -1.54 -0.21 0.00 0.00 178.00 177.38 3he6 s SER 71 N -6.51 -0.00 0.37 -2.05 1.04 -1.26 -4.44 113.70 100.85 3he6 s SER 71 Ca -0.10 -0.99 0.19 0.00 0.48 0.00 0.00 55.95 55.54 3he6 s SER 71 Cb 0.16 0.49 1.26 0.00 0.10 0.00 0.00 66.02 68.03 3he6 s SER 71 CO 0.79 -1.00 1.62 -0.61 0.98 0.00 0.00 173.24 175.02 3he6 h GLN 72 N 2.42 0.13 0.16 4.02 5.75 -1.90 -2.86 115.11 122.83 3he6 h GLN 72 Ca -0.30 -0.01 -0.30 0.00 -0.15 0.00 0.00 58.65 57.89 3he6 h GLN 72 Cb 1.24 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 29.78 3he6 h GLN 72 CO 0.43 0.09 -1.37 0.93 -2.65 0.00 0.00 178.83 176.26 3he6 h GLU 73 N 0.14 0.35 -6.20 1.69 5.08 -1.91 -3.47 114.58 110.26 3he6 h GLU 73 Ca 0.80 -0.60 -0.69 0.00 -1.00 0.00 0.00 59.36 57.88 3he6 h GLU 73 Cb 2.06 0.22 -0.29 0.00 0.50 0.00 0.00 28.75 31.24 3he6 h GLU 73 CO -0.67 1.27 -0.85 -0.80 -1.00 0.00 0.00 179.01 176.95 3he6 s ASN 74 N -7.25 3.32 -0.31 1.42 0.01 -1.08 -1.78 114.94 109.27 3he6 s ASN 74 Ca -0.06 -0.42 -0.02 0.00 -0.71 0.00 0.00 52.86 51.64 3he6 s ASN 74 Cb 0.06 -0.75 0.11 0.00 0.41 0.00 0.00 41.25 41.07 3he6 s ASN 74 CO 0.90 0.28 0.14 0.12 -1.51 0.00 0.00 177.10 177.03 3he6 s PHE 75 N -0.37 0.73 0.14 2.20 5.36 -1.06 -3.85 117.98 121.14 3he6 s PHE 75 Ca 0.03 -1.24 -0.23 0.00 -0.96 0.00 0.00 56.93 54.53 3he6 s PHE 75 Cb -0.12 -1.10 -0.08 0.00 -0.34 0.00 0.00 43.02 41.38 3he6 s PHE 75 CO 0.02 -0.84 0.71 -1.12 -1.46 0.00 0.00 175.22 172.53 3he6 s SER 76 N 1.76 7.26 -0.23 6.13 0.01 -0.78 -2.99 113.70 124.85 3he6 s SER 76 Ca 0.11 1.50 -0.08 0.00 1.31 0.00 0.00 55.95 58.80 3he6 s SER 76 Cb -0.18 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3he6 s SER 76 CO -0.27 0.21 0.09 -0.22 0.41 0.00 0.00 173.24 173.46 3he6 s LEU 77 N -1.22 3.65 -0.12 2.44 2.96 -0.09 -1.70 118.68 124.60 3he6 s LEU 77 Ca 0.34 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 3he6 s LEU 77 Cb -0.21 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 3he6 s LEU 77 CO 0.23 0.03 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.59 3he6 s ILE 78 N 1.21 3.56 -0.44 6.68 1.01 0.81 0.10 121.20 134.15 3he6 s ILE 78 Ca 0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 3he6 s ILE 78 Cb -0.14 -2.51 0.12 0.00 0.01 0.00 0.00 42.46 39.93 3he6 s ILE 78 CO 0.04 0.53 0.21 -0.76 0.00 0.00 0.00 174.94 174.96 3he6 s LEU 79 N 0.04 5.08 0.08 2.97 1.02 0.13 -1.91 118.68 126.08 3he6 s LEU 79 Ca -0.02 -2.27 -0.22 0.00 0.02 0.00 0.00 54.13 51.65 3he6 s LEU 79 Cb -0.14 -1.78 -0.12 0.00 0.02 0.00 0.00 46.19 44.17 3he6 s LEU 79 CO 0.03 -0.46 1.62 -0.33 0.02 0.00 0.00 176.35 177.24 3he6 h GLU 80 N 7.67 0.16 -2.92 1.70 4.39 -1.82 -1.77 114.58 121.98 3he6 h GLU 80 Ca -0.09 -0.03 -0.61 0.00 0.34 0.00 0.00 59.36 58.97 3he6 h GLU 80 Cb 1.01 -0.03 -0.40 0.00 -0.10 0.00 0.00 28.75 29.24 3he6 h GLU 80 CO 0.66 0.25 -0.74 -0.51 -1.16 0.00 0.00 179.01 177.52 3he6 s LEU 81 N -9.88 3.03 0.42 1.33 1.43 -1.25 -4.04 118.68 109.72 3he6 s LEU 81 Ca -0.14 -3.00 -0.25 0.00 -1.03 0.00 0.00 54.13 49.71 3he6 s LEU 81 Cb 0.06 -1.10 -0.10 0.00 0.03 0.00 0.00 46.19 45.08 3he6 s LEU 81 CO 0.69 -0.21 1.25 0.00 0.23 0.00 0.00 176.35 178.31 3he6 n ALA 82 N 3.05 1.18 -2.94 4.21 0.00 -0.45 -4.57 120.51 120.99 3he6 n ALA 82 Ca 0.15 0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.75 3he6 n ALA 82 Cb 0.37 -2.25 -0.12 0.00 0.00 0.00 0.00 19.45 17.46 3he6 n ALA 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3he6 s THR 83 N -1.20 0.19 0.31 0.00 -4.23 -1.26 0.21 115.64 109.67 3he6 s THR 83 Ca 0.61 -0.82 0.03 0.00 -1.18 0.00 0.00 61.69 60.33 3he6 s THR 83 Cb -0.52 -0.30 0.42 0.00 1.34 0.00 0.00 72.50 73.44 3he6 s THR 83 CO 0.58 -0.40 1.56 -2.65 -0.54 0.00 0.00 174.62 173.17 3he6 n PRO 84 N 1.78 -0.08 -0.17 3.99 -0.02 -1.26 -0.02 135.00 139.22 3he6 n PRO 84 Ca -0.22 1.48 0.29 0.00 -2.02 0.00 0.00 63.50 63.04 3he6 n PRO 84 Cb 0.56 -2.38 0.67 0.00 -0.02 0.00 0.00 33.50 32.33 3he6 n PRO 84 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3he6 h SER 85 N 0.00 0.00 -0.28 2.55 0.02 -1.97 -0.74 113.55 113.14 3he6 h SER 85 Ca 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.57 3he6 h SER 85 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3he6 h SER 85 CO -0.93 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 174.76 3he6 n GLN 86 N -3.74 1.73 -2.12 3.45 6.02 0.97 -4.79 117.38 118.91 3he6 n GLN 86 Ca 0.20 -1.13 -0.43 0.00 -0.01 0.00 0.00 57.00 55.63 3he6 n GLN 86 Cb 1.16 -1.29 -0.03 0.00 1.02 0.00 0.00 30.24 31.10 3he6 n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3he6 s THR 87 N -1.63 3.71 0.24 5.09 2.01 -0.28 -4.79 115.64 119.97 3he6 s THR 87 Ca 0.25 0.80 -0.18 0.00 0.31 0.00 0.00 61.69 62.87 3he6 s THR 87 Cb 0.13 -3.70 0.07 0.00 0.01 0.00 0.00 72.50 69.01 3he6 s THR 87 CO 0.18 -0.27 0.91 -0.24 -0.69 0.00 0.00 174.62 174.51 3he6 n SER 88 N 8.28 -1.81 -4.39 3.53 2.88 -0.77 -5.01 113.62 116.33 3he6 n SER 88 Ca 0.18 -2.06 -0.35 0.00 -1.33 0.00 0.00 58.87 55.32 3he6 n SER 88 Cb 0.45 2.97 -0.13 0.00 -0.75 0.00 0.00 64.21 66.75 3he6 n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3he6 s VAL 89 N -2.11 3.60 -0.13 2.46 1.01 -1.20 -1.49 120.40 122.55 3he6 s VAL 89 Ca 0.20 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 3he6 s VAL 89 Cb -0.03 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3he6 s VAL 89 CO 0.07 0.44 0.04 -0.31 0.00 0.00 0.00 175.10 175.34 3he6 s TYR 90 N 1.06 3.25 -0.09 5.22 1.51 0.40 -0.10 117.35 128.59 3he6 s TYR 90 Ca 0.01 0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.25 3he6 s TYR 90 Cb -0.15 -1.93 0.01 0.00 -0.11 0.00 0.00 41.96 39.78 3he6 s TYR 90 CO 0.00 0.35 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.56 3he6 s PHE 91 N -0.34 2.00 0.08 2.71 0.40 -0.64 -0.79 117.98 121.40 3he6 s PHE 91 Ca 0.08 -0.81 -0.03 0.00 -0.60 0.00 0.00 56.93 55.57 3he6 s PHE 91 Cb -0.12 -1.39 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 3he6 s PHE 91 CO 0.02 -0.36 0.28 0.00 0.70 0.00 0.00 175.22 175.86 3he6 s ALA 93 N -1.53 0.81 0.20 0.00 0.00 -1.01 -0.85 121.76 119.39 3he6 s ALA 93 Ca 0.36 -0.92 0.10 0.00 0.00 0.00 0.00 51.96 51.50 3he6 s ALA 93 Cb -0.13 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 3he6 s ALA 93 CO 0.24 0.01 -0.14 0.45 0.00 0.00 0.00 175.76 176.32 3he6 s SER 94 N -1.84 3.97 0.00 0.00 0.15 -0.27 -0.73 113.70 114.99 3he6 s SER 94 Ca -0.05 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.89 3he6 s SER 94 Cb -0.08 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 3he6 s SER 94 CO 0.00 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.15 3he6 n GLY 95 N -0.05 0.80 2.84 9.45 0.00 -0.57 0.05 105.19 117.70 3he6 n GLY 95 Ca -0.10 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 3he6 n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3he6 s ASP 96 N -1.54 4.23 0.00 1.61 1.01 -1.26 -4.26 116.67 116.45 3he6 s ASP 96 Ca 0.00 -3.43 0.00 0.00 0.71 0.00 0.00 52.55 49.83 3he6 s ASP 96 Cb 0.00 -1.45 0.00 0.00 1.01 0.00 0.00 42.92 42.48 3he6 s ASP 96 CO 0.00 -0.15 0.00 0.00 0.21 0.00 0.00 175.17 175.23 3he6 n ALA 97 N 2.52 0.76 0.00 5.23 0.00 -1.26 -5.16 120.51 122.59 3he6 n ALA 97 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3he6 n ALA 97 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3he6 n ALA 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3he6 n GLN 106 N -0.69 0.00 -3.86 0.00 6.02 -1.26 -5.22 117.38 112.37 3he6 n GLN 106 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 3he6 n GLN 106 Cb 0.00 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.09 3he6 n GLN 106 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3he6 s PHE 107 N -2.00 0.50 -0.09 1.08 0.08 0.11 -4.95 117.98 112.71 3he6 s PHE 107 Ca 0.00 -0.07 -0.02 0.00 0.12 0.00 0.00 56.93 56.96 3he6 s PHE 107 Cb 0.00 -0.63 -0.03 0.00 -0.57 0.00 0.00 43.02 41.79 3he6 s PHE 107 CO 0.00 -0.23 -0.01 -0.06 -0.10 0.00 0.00 175.22 174.82 3he6 s PHE 108 N 1.56 3.12 0.89 0.36 0.40 -1.26 -1.12 117.98 121.94 3he6 s PHE 108 Ca -0.02 0.14 -0.12 0.00 -0.60 0.00 0.00 56.93 56.34 3he6 s PHE 108 Cb -0.13 -1.79 0.13 0.00 0.51 0.00 0.00 43.02 41.74 3he6 s PHE 108 CO -0.03 0.42 1.10 0.20 0.70 0.00 0.00 175.22 177.60 3he6 s GLY 109 N -0.79 1.61 0.00 4.36 0.00 -0.03 -4.85 107.32 107.62 3he6 s GLY 109 Ca 0.12 -0.15 0.22 0.00 0.00 0.00 0.00 44.72 44.91 3he6 s GLY 109 CO 0.02 0.35 1.70 -1.55 0.00 0.00 0.00 173.10 173.62 3he6 n PRO 110 N -3.84 0.75 0.00 2.90 -0.04 -1.26 -4.79 135.00 128.71 3he6 n PRO 110 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3he6 n PRO 110 Cb 0.56 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3he6 n PRO 110 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3he6 n GLY 111 N 0.47 -1.19 3.15 0.55 0.00 -1.26 -5.03 105.19 101.88 3he6 n GLY 111 Ca 0.16 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 3he6 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3he6 s THR 112 N -3.33 1.63 -0.30 2.61 2.01 0.03 -4.74 115.64 113.55 3he6 s THR 112 Ca 0.00 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.11 3he6 s THR 112 Cb 0.00 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 3he6 s THR 112 CO 0.00 0.46 0.13 -0.60 -0.69 0.00 0.00 174.62 173.92 3he6 s ARG 113 N 0.24 3.33 -0.07 4.92 3.52 -0.03 -0.45 118.95 130.40 3he6 s ARG 113 Ca -0.11 -0.72 0.05 0.00 -0.13 0.00 0.00 55.73 54.82 3he6 s ARG 113 Cb -0.15 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.73 3he6 s ARG 113 CO 0.05 -0.40 -0.22 -1.17 -0.81 0.00 0.00 175.30 172.75 3he6 s LEU 114 N 1.59 2.27 -0.06 -0.88 2.96 -0.55 -1.26 118.68 122.75 3he6 s LEU 114 Ca 0.04 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.57 3he6 s LEU 114 Cb -0.17 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3he6 s LEU 114 CO 0.05 0.24 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.21 3he6 s THR 115 N -0.13 2.36 -0.15 3.68 2.01 -0.73 -1.85 115.64 120.83 3he6 s THR 115 Ca -0.04 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 60.99 3he6 s THR 115 Cb -0.14 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 3he6 s THR 115 CO 0.04 0.57 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.72 3he6 s VAL 116 N -0.31 2.95 0.02 3.82 1.01 -1.26 -0.13 120.40 126.51 3he6 s VAL 116 Ca 0.01 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.37 3he6 s VAL 116 Cb -0.13 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3he6 s VAL 116 CO 0.02 0.51 -0.15 -0.76 0.00 0.00 0.00 175.10 174.72 3he6 s LEU 117 N 0.61 2.74 0.21 3.92 1.43 -0.52 -4.30 118.68 122.78 3he6 s LEU 117 Ca -0.08 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.56 3he6 s LEU 117 Cb -0.16 -1.59 0.26 0.00 0.03 0.00 0.00 46.19 44.73 3he6 s LEU 117 CO 0.03 0.27 1.63 -0.08 0.23 0.00 0.00 176.35 178.43 3he6 h GLU 118 N 4.63 0.01 -3.09 1.70 4.57 -1.96 -2.01 114.58 118.43 3he6 h GLU 118 Ca -0.48 -0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.57 3he6 h GLU 118 Cb 1.16 -0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.53 3he6 h GLU 118 CO 0.49 0.01 -0.33 0.34 -1.18 0.00 0.00 179.01 178.34 3he6 s ASP 119 N -5.23 -0.19 0.00 1.04 -1.08 -1.26 -4.35 116.67 105.60 3he6 s ASP 119 Ca -0.14 0.18 0.29 0.00 -0.52 0.00 0.00 52.55 52.35 3he6 s ASP 119 Cb 0.20 0.38 1.69 0.00 -1.46 0.00 0.00 42.92 43.73 3he6 s ASP 119 CO 0.74 -0.35 2.04 0.18 0.52 0.00 0.00 175.17 178.30 3he6 n LEU 120 N 1.72 0.00 -0.04 -1.34 4.77 -1.26 -4.11 117.00 116.74 3he6 n LEU 120 Ca -0.20 0.01 0.10 0.00 -0.03 0.00 0.00 56.01 55.90 3he6 n LEU 120 Cb 0.56 -0.01 0.49 0.00 -2.33 0.00 0.00 43.42 42.13 3he6 n LEU 120 CO 0.20 -0.00 1.17 0.11 -1.33 0.00 0.00 177.39 177.55 3he6 h LYS 121 N 0.00 0.40 -0.58 3.23 1.57 -1.99 -2.89 116.57 116.32 3he6 h LYS 121 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3he6 h LYS 121 Cb 0.01 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3he6 h LYS 121 CO 0.00 0.27 0.00 -1.71 -0.57 0.00 0.00 179.45 177.44 3he6 n ASN 122 N -4.47 3.72 -4.71 0.86 2.85 -1.26 -4.95 115.26 107.30 3he6 n ASN 122 Ca 0.07 -2.00 -0.42 0.00 -0.11 0.00 0.00 54.58 52.13 3he6 n ASN 122 Cb 0.28 -0.38 -0.03 0.00 1.24 0.00 0.00 39.78 40.89 3he6 n ASN 122 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3he6 s VAL 123 N -1.24 4.18 0.01 3.44 1.01 -1.09 -4.69 120.40 122.01 3he6 s VAL 123 Ca 0.45 1.58 0.00 0.00 0.00 0.00 0.00 61.98 64.00 3he6 s VAL 123 Cb 0.24 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3he6 s VAL 123 CO 0.33 0.13 -0.01 -0.36 0.00 0.00 0.00 175.10 175.19 3he6 s PHE 124 N 1.01 0.08 0.72 5.22 0.08 0.03 -4.79 117.98 120.33 3he6 s PHE 124 Ca 0.57 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 57.35 3he6 s PHE 124 Cb -0.28 -0.06 0.02 0.00 -0.57 0.00 0.00 43.02 42.13 3he6 s PHE 124 CO 0.29 -0.06 1.07 -2.14 -0.10 0.00 0.00 175.22 174.28 3he6 s PRO 125 N -0.45 2.76 0.54 0.24 0.02 -1.26 -2.04 135.00 134.82 3he6 s PRO 125 Ca -0.05 0.90 -0.17 0.00 0.02 0.00 0.00 61.00 61.71 3he6 s PRO 125 Cb -0.03 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 3he6 s PRO 125 CO -0.00 -1.21 1.02 -1.25 -0.33 0.00 0.00 177.00 175.23 3he6 s PRO 126 N -5.06 3.69 -0.21 5.54 0.04 -1.26 -4.14 135.00 133.59 3he6 s PRO 126 Ca 0.59 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.63 3he6 s PRO 126 Cb -0.14 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3he6 s PRO 126 CO 0.55 -0.50 0.10 -1.21 0.04 0.00 0.00 177.00 175.98 3he6 s GLU 127 N -3.99 3.98 -0.07 4.56 2.02 0.04 -4.89 118.70 120.36 3he6 s GLU 127 Ca 0.61 -0.33 0.01 0.00 0.02 0.00 0.00 54.97 55.29 3he6 s GLU 127 Cb -0.13 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 3he6 s GLU 127 CO 0.32 0.15 -0.09 0.08 0.02 0.00 0.00 175.26 175.74 3he6 s VAL 128 N 0.75 3.51 -0.08 2.63 1.01 -1.26 -0.68 120.40 126.29 3he6 s VAL 128 Ca 0.05 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 3he6 s VAL 128 Cb -0.13 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.85 3he6 s VAL 128 CO 0.02 0.59 0.19 0.00 0.00 0.00 0.00 175.10 175.90 3he6 s ALA 129 N -0.65 -0.45 -0.16 5.51 0.00 -0.66 -4.55 121.76 120.80 3he6 s ALA 129 Ca 0.10 0.65 -0.08 0.00 0.00 0.00 0.00 51.96 52.63 3he6 s ALA 129 Cb -0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 3he6 s ALA 129 CO 0.02 -0.12 0.12 0.08 0.00 0.00 0.00 175.76 175.85 3he6 s VAL 130 N 0.52 5.29 -0.16 0.00 1.01 -1.26 -0.92 120.40 124.89 3he6 s VAL 130 Ca -0.04 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 3he6 s VAL 130 Cb -0.05 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3he6 s VAL 130 CO -0.03 0.53 -0.04 -0.36 0.00 0.00 0.00 175.10 175.20 3he6 s PHE 131 N -0.29 3.01 0.33 5.22 0.40 0.42 -4.97 117.98 122.11 3he6 s PHE 131 Ca 0.11 -0.36 -0.26 0.00 -0.60 0.00 0.00 56.93 55.82 3he6 s PHE 131 Cb -0.12 -1.97 -0.10 0.00 0.51 0.00 0.00 43.02 41.35 3he6 s PHE 131 CO 0.01 -0.09 0.98 -1.21 0.70 0.00 0.00 175.22 175.61 3he6 s GLU 132 N 0.47 4.50 0.34 0.44 2.02 -1.26 -1.89 118.70 123.32 3he6 s GLU 132 Ca -0.04 1.40 -0.28 0.00 0.02 0.00 0.00 54.97 56.08 3he6 s GLU 132 Cb -0.14 -2.78 -0.12 0.00 0.10 0.00 0.00 34.13 31.18 3he6 s GLU 132 CO 0.03 0.19 1.26 -2.30 0.02 0.00 0.00 175.26 174.46 3he6 n PRO 133 N 0.49 2.04 -2.27 0.39 -0.02 -1.25 -4.92 135.00 129.46 3he6 n PRO 133 Ca 0.02 0.72 -0.40 0.00 -2.02 0.00 0.00 63.50 61.82 3he6 n PRO 133 Cb 0.50 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 3he6 n PRO 133 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3he6 s SER 134 N -0.34 6.89 0.12 2.55 0.15 -1.26 -4.96 113.70 116.85 3he6 s SER 134 Ca 0.56 2.48 -0.20 0.00 0.70 0.00 0.00 55.95 59.49 3he6 s SER 134 Cb -0.58 -2.63 -0.07 0.00 -1.71 0.00 0.00 66.02 61.02 3he6 s SER 134 CO 0.62 -0.43 1.77 -0.33 1.20 0.00 0.00 173.24 176.08 3he6 h GLU 135 N 3.38 0.24 -0.95 5.44 5.08 -1.99 -2.57 114.58 123.21 3he6 h GLU 135 Ca -0.48 -0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.05 3he6 h GLU 135 Cb 1.22 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.33 3he6 h GLU 135 CO 0.65 0.16 0.61 0.00 -1.00 0.00 0.00 179.01 179.43 3he6 h ALA 136 N 1.07 1.91 -0.32 3.43 0.00 -2.00 -0.83 119.26 122.53 3he6 h ALA 136 Ca 0.07 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3he6 h ALA 136 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3he6 h ALA 136 CO -0.02 -0.23 -0.34 1.49 0.00 0.00 0.00 179.25 180.15 3he6 h GLU 137 N 0.62 0.72 -0.22 0.00 4.81 -1.79 -1.97 114.58 116.74 3he6 h GLU 137 Ca 0.52 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3he6 h GLU 137 Cb 0.98 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3he6 h GLU 137 CO -0.27 0.95 0.01 0.82 -0.73 0.00 0.00 179.01 179.80 3he6 h ILE 138 N 0.60 1.25 -0.63 2.32 2.04 -0.86 -0.69 117.51 121.53 3he6 h ILE 138 Ca 0.06 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 3he6 h ILE 138 Cb 0.87 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3he6 h ILE 138 CO 0.08 0.26 0.07 0.28 0.00 0.00 0.00 178.15 178.84 3he6 h SER 139 N 0.16 1.02 0.62 1.72 0.02 -1.39 -0.79 113.55 114.92 3he6 h SER 139 Ca 0.06 -0.25 -0.27 0.00 -0.84 0.00 0.00 61.79 60.48 3he6 h SER 139 Cb 0.38 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3he6 h SER 139 CO 0.01 1.03 -1.37 -0.74 -1.14 0.00 0.00 176.83 174.62 3he6 h HIS 140 N 0.98 0.30 0.00 3.45 -0.00 -1.30 -3.40 115.15 115.18 3he6 h HIS 140 Ca 0.19 -0.22 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 3he6 h HIS 140 Cb 0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.87 3he6 h HIS 140 CO 0.03 1.22 -0.03 0.25 -0.00 0.00 0.00 177.93 179.41 3he6 n THR 141 N -3.39 0.00 -0.91 6.26 -2.24 -0.27 -5.00 114.28 108.72 3he6 n THR 141 Ca -0.11 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3he6 n THR 141 Cb 1.02 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 70.22 3he6 n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3he6 n GLN 142 N -0.76 -1.10 -4.40 -0.78 1.13 -0.30 -4.96 117.38 106.20 3he6 n GLN 142 Ca 0.00 0.28 -0.26 0.00 -1.94 0.00 0.00 57.00 55.08 3he6 n GLN 142 Cb 0.00 -4.33 -0.11 0.00 0.11 0.00 0.00 30.24 25.92 3he6 n GLN 142 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3he6 s LYS 143 N -1.27 1.70 -0.07 -1.09 1.02 -1.26 -0.27 119.74 118.49 3he6 s LYS 143 Ca 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 55.97 54.47 3he6 s LYS 143 Cb 0.00 -1.91 0.02 0.00 -0.52 0.00 0.00 37.83 35.43 3he6 s LYS 143 CO 0.00 0.39 -0.05 0.00 -0.92 0.00 0.00 175.35 174.77 3he6 s ALA 144 N -1.88 0.91 -0.31 5.17 0.00 0.13 -3.62 121.76 122.16 3he6 s ALA 144 Ca 0.24 -0.24 -0.07 0.00 0.00 0.00 0.00 51.96 51.90 3he6 s ALA 144 Cb -0.07 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.40 3he6 s ALA 144 CO 0.12 -0.24 0.09 0.99 0.00 0.00 0.00 175.76 176.72 3he6 s THR 145 N 1.42 3.89 0.47 0.00 2.01 -1.26 -1.26 115.64 120.91 3he6 s THR 145 Ca -0.02 -0.84 -0.20 0.00 0.31 0.00 0.00 61.69 60.94 3he6 s THR 145 Cb -0.13 -3.06 -0.09 0.00 0.01 0.00 0.00 72.50 69.22 3he6 s THR 145 CO -0.03 0.00 0.99 -0.76 -0.69 0.00 0.00 174.62 174.13 3he6 s LEU 146 N 1.47 3.82 -0.07 4.42 1.02 0.62 -3.74 118.68 126.22 3he6 s LEU 146 Ca 0.01 1.74 0.00 0.00 0.02 0.00 0.00 54.13 55.90 3he6 s LEU 146 Cb -0.18 -4.54 0.02 0.00 0.02 0.00 0.00 46.19 41.52 3he6 s LEU 146 CO 0.02 -0.57 -0.05 -0.69 0.02 0.00 0.00 176.35 175.08 3he6 s VAL 147 N -2.23 0.66 0.09 -1.59 1.01 -0.79 -1.40 120.40 116.14 3he6 s VAL 147 Ca 0.63 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 3he6 s VAL 147 Cb -0.12 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 3he6 s VAL 147 CO 0.20 0.28 0.32 0.00 0.00 0.00 0.00 175.10 175.89 3he6 s LEU 149 N -2.40 0.01 -0.21 0.00 2.96 -0.09 -1.63 118.68 117.32 3he6 s LEU 149 Ca 0.36 -0.54 -0.14 0.00 -0.22 0.00 0.00 54.13 53.59 3he6 s LEU 149 Cb -0.13 0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.75 3he6 s LEU 149 CO 0.23 -0.36 0.31 0.00 -1.32 0.00 0.00 176.35 175.21 3he6 s ALA 150 N 2.28 3.58 0.04 5.97 0.00 -0.59 -1.66 121.76 131.38 3he6 s ALA 150 Ca 0.07 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.42 3he6 s ALA 150 Cb -0.15 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 3he6 s ALA 150 CO -0.20 -0.21 -0.07 0.95 0.00 0.00 0.00 175.76 176.23 3he6 s THR 151 N 1.11 0.48 -1.10 0.00 -4.23 0.15 -1.05 115.64 111.00 3he6 s THR 151 Ca 0.15 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 3he6 s THR 151 Cb -0.14 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.14 3he6 s THR 151 CO 0.06 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 3he6 n GLY 152 N 1.51 1.13 3.94 3.99 0.00 -0.84 -0.78 105.19 114.14 3he6 n GLY 152 Ca -0.23 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 3he6 n GLY 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3he6 s PHE 153 N -2.40 3.48 -0.29 1.61 -0.71 -1.13 -4.71 117.98 113.83 3he6 s PHE 153 Ca 0.00 0.27 -0.15 0.00 -1.04 0.00 0.00 56.93 56.01 3he6 s PHE 153 Cb 0.00 -1.80 0.10 0.00 -1.21 0.00 0.00 43.02 40.11 3he6 s PHE 153 CO 0.00 0.36 0.73 -0.47 -1.34 0.00 0.00 175.22 174.50 3he6 s TYR 154 N -1.95 -1.05 0.77 3.49 5.04 -0.86 -0.12 117.35 122.67 3he6 s TYR 154 Ca 0.38 2.02 -0.02 0.00 -2.44 0.00 0.00 57.07 57.01 3he6 s TYR 154 Cb -0.10 0.63 0.15 0.00 0.35 0.00 0.00 41.96 42.99 3he6 s TYR 154 CO 0.30 -0.52 1.06 -1.25 -1.34 0.00 0.00 175.55 173.80 3he6 s PRO 155 N 1.91 1.40 0.00 4.97 0.05 -1.26 -0.79 135.00 141.27 3he6 s PRO 155 Ca -0.09 -1.16 0.00 0.00 0.05 0.00 0.00 61.00 59.80 3he6 s PRO 155 Cb -0.06 -2.27 0.00 0.00 0.05 0.00 0.00 34.50 32.22 3he6 s PRO 155 CO -0.19 -1.68 0.40 -0.40 0.05 0.00 0.00 177.00 175.18 3he6 n ASP 156 N -3.00 1.03 -4.57 6.66 5.75 -1.26 -4.67 116.55 116.50 3he6 n ASP 156 Ca 0.17 -1.15 -0.43 0.00 -0.01 0.00 0.00 54.79 53.37 3he6 n ASP 156 Cb 0.61 -0.29 -0.01 0.00 -1.03 0.00 0.00 41.12 40.40 3he6 n ASP 156 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3he6 s HIS 157 N -0.43 2.79 -0.00 2.11 3.76 -1.26 -4.96 115.29 117.29 3he6 s HIS 157 Ca 0.00 -1.50 0.03 0.00 -0.15 0.00 0.00 55.06 53.44 3he6 s HIS 157 Cb 0.00 -4.71 -0.01 0.00 1.11 0.00 0.00 32.58 28.97 3he6 s HIS 157 CO 0.00 -1.80 -0.09 0.14 -0.85 0.00 0.00 174.74 172.13 3he6 s VAL 158 N 4.17 0.75 -0.11 -0.90 -7.23 -1.26 -2.37 120.40 113.44 3he6 s VAL 158 Ca 0.51 -0.44 0.01 0.00 -1.81 0.00 0.00 61.98 60.26 3he6 s VAL 158 Cb 0.03 -0.63 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 3he6 s VAL 158 CO 0.04 0.18 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.24 3he6 s GLU 159 N -0.29 3.17 -0.13 4.82 2.02 -0.59 -4.97 118.70 122.74 3he6 s GLU 159 Ca 0.03 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.32 3he6 s GLU 159 Cb -0.04 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.68 3he6 s GLU 159 CO -0.00 0.27 -0.22 -1.17 0.02 0.00 0.00 175.26 174.16 3he6 s LEU 160 N 0.18 2.08 0.17 1.80 0.20 -1.26 0.14 118.68 121.98 3he6 s LEU 160 Ca -0.09 -0.58 0.08 0.00 0.69 0.00 0.00 54.13 54.23 3he6 s LEU 160 Cb -0.15 -1.41 -0.04 0.00 -0.43 0.00 0.00 46.19 44.15 3he6 s LEU 160 CO 0.05 0.10 -0.17 -0.94 -0.29 0.00 0.00 176.35 175.10 3he6 s SER 161 N 0.71 2.61 -0.13 3.68 1.04 0.25 -5.02 113.70 116.84 3he6 s SER 161 Ca -0.10 -0.89 -0.01 0.00 0.48 0.00 0.00 55.95 55.43 3he6 s SER 161 Cb -0.16 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 3he6 s SER 161 CO 0.01 -0.07 -0.10 0.26 0.98 0.00 0.00 173.24 174.32 3he6 s TRP 162 N -2.27 2.88 -0.11 5.02 0.52 -1.26 -1.65 118.94 122.08 3he6 s TRP 162 Ca 0.17 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 55.89 3he6 s TRP 162 Cb -0.05 -1.85 0.01 0.00 -1.15 0.00 0.00 33.47 30.43 3he6 s TRP 162 CO 0.06 -0.07 -0.21 -1.58 0.02 0.00 0.00 176.95 175.17 3he6 s TRP 163 N 0.17 2.42 -0.15 -1.98 0.52 -0.03 -1.13 118.94 118.75 3he6 s TRP 163 Ca -0.05 -1.06 0.00 0.00 0.02 0.00 0.00 56.10 55.01 3he6 s TRP 163 Cb -0.15 -1.64 0.03 0.00 -1.15 0.00 0.00 33.47 30.56 3he6 s TRP 163 CO 0.04 -0.46 -0.10 0.08 0.02 0.00 0.00 176.95 176.53 3he6 s VAL 164 N 0.56 1.33 -1.82 4.03 1.01 -0.35 -0.68 120.40 124.48 3he6 s VAL 164 Ca -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3he6 s VAL 164 Cb -0.17 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.86 3he6 s VAL 164 CO 0.05 0.32 0.00 0.59 0.00 0.00 0.00 175.10 176.05 3he6 n ASN 165 N 4.83 -5.22 0.00 3.32 3.02 0.34 -2.15 115.26 119.40 3he6 n ASN 165 Ca -0.14 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3he6 n ASN 165 Cb 0.49 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.15 3he6 n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3he6 n GLY 166 N -0.65 0.74 2.91 7.41 0.00 -1.26 -5.00 105.19 109.35 3he6 n GLY 166 Ca -0.21 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 3he6 n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3he6 s LYS 167 N -0.81 0.08 0.06 1.61 1.02 -0.91 -5.13 119.74 115.66 3he6 s LYS 167 Ca 0.00 0.34 -0.31 0.00 0.02 0.00 0.00 55.97 56.03 3he6 s LYS 167 Cb 0.00 -0.17 -0.08 0.00 -0.52 0.00 0.00 37.83 37.06 3he6 s LYS 167 CO 0.00 -0.16 1.58 -2.00 -0.92 0.00 0.00 175.35 173.85 3he6 s GLU 168 N 1.10 4.22 0.19 1.68 2.12 -1.26 -1.21 118.70 125.54 3he6 s GLU 168 Ca -0.09 2.23 0.04 0.00 0.36 0.00 0.00 54.97 57.52 3he6 s GLU 168 Cb -0.11 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 3he6 s GLU 168 CO -0.05 -0.68 0.32 0.14 -0.54 0.00 0.00 175.26 174.45 3he6 s VAL 169 N 2.47 5.29 0.00 3.70 -7.23 -0.29 -4.93 120.40 119.42 3he6 s VAL 169 Ca 0.71 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 3he6 s VAL 169 Cb -0.38 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 32.76 3he6 s VAL 169 CO 0.31 -0.21 0.00 1.41 -0.31 0.00 0.00 175.10 176.29 3he6 n HIS 170 N -0.98 0.00 -1.80 2.82 8.25 -1.26 -4.52 115.22 117.73 3he6 n HIS 170 Ca -0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.97 3he6 n HIS 170 Cb 0.55 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.65 3he6 n HIS 170 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3he6 s SER 171 N -2.68 6.38 -1.66 0.41 0.15 -1.26 -2.80 113.70 112.24 3he6 s SER 171 Ca 0.00 2.96 -0.03 0.00 0.70 0.00 0.00 55.95 59.58 3he6 s SER 171 Cb 0.00 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3he6 s SER 171 CO 0.00 -0.89 0.33 0.61 1.20 0.00 0.00 173.24 174.49 3he6 n GLY 172 N 1.75 -0.51 3.62 9.45 0.00 -1.26 -4.89 105.19 113.34 3he6 n GLY 172 Ca 0.06 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3he6 n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3he6 s VAL 173 N -3.11 3.69 -0.04 1.61 1.01 -1.12 -1.73 120.40 120.70 3he6 s VAL 173 Ca 0.16 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 3he6 s VAL 173 Cb -0.07 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.61 3he6 s VAL 173 CO 0.20 0.18 0.12 0.00 0.00 0.00 0.00 175.10 175.60 3he6 s THR 175 N 0.05 -0.00 0.53 0.00 2.01 -1.26 -0.11 115.64 116.86 3he6 s THR 175 Ca -0.00 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 3he6 s THR 175 Cb -0.01 -0.23 -0.07 0.00 0.01 0.00 0.00 72.50 72.20 3he6 s THR 175 CO 0.00 0.00 1.01 0.47 -0.69 0.00 0.00 174.62 175.41 3he6 n ASP 176 N 3.00 1.12 -0.28 3.53 8.00 -1.16 -4.90 116.55 125.87 3he6 n ASP 176 Ca -0.13 0.91 -0.06 0.00 0.71 0.00 0.00 54.79 56.22 3he6 n ASP 176 Cb 0.59 -1.39 0.07 0.00 -0.02 0.00 0.00 41.12 40.36 3he6 n ASP 176 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3he6 h PRO 177 N 0.99 1.18 -6.72 -0.24 0.11 -2.01 -3.44 132.00 121.87 3he6 h PRO 177 Ca -0.47 -0.23 -0.70 0.00 0.11 0.00 0.00 66.00 64.71 3he6 h PRO 177 Cb 1.35 -0.19 -0.27 0.00 0.11 0.00 0.00 31.00 32.00 3he6 h PRO 177 CO 0.54 0.97 -0.88 -0.65 -0.21 0.00 0.00 178.00 177.77 3he6 s GLN 178 N -5.50 1.84 1.17 1.05 -1.52 -1.26 -5.14 119.66 110.31 3he6 s GLN 178 Ca -0.12 -1.09 -0.15 0.00 -1.95 0.00 0.00 55.36 52.04 3he6 s GLN 178 Cb 0.16 -1.99 0.28 0.00 -0.22 0.00 0.00 33.01 31.23 3he6 s GLN 178 CO 0.84 0.52 1.04 -2.14 -0.25 0.00 0.00 175.29 175.30 3he6 s PRO 179 N -1.17 -0.99 0.03 2.91 0.02 -1.26 -4.89 135.00 129.65 3he6 s PRO 179 Ca 0.12 0.44 0.03 0.00 0.02 0.00 0.00 61.00 61.61 3he6 s PRO 179 Cb -0.10 -1.58 -0.02 0.00 0.02 0.00 0.00 34.50 32.82 3he6 s PRO 179 CO 0.02 -3.67 -0.10 -0.48 -0.33 0.00 0.00 177.00 172.44 3he6 s LEU 180 N -7.07 2.17 0.14 -5.54 2.34 -0.22 -4.95 118.68 105.55 3he6 s LEU 180 Ca 0.68 -0.41 -0.31 0.00 0.06 0.00 0.00 54.13 54.15 3he6 s LEU 180 Cb -0.19 -0.39 -0.08 0.00 -0.56 0.00 0.00 46.19 44.97 3he6 s LEU 180 CO 0.60 -0.04 1.36 -0.54 -1.06 0.00 0.00 176.35 176.67 3he6 s LYS 181 N -1.07 4.34 0.48 1.48 1.02 -1.26 -1.31 119.74 123.42 3he6 s LYS 181 Ca -0.02 2.06 0.27 0.00 0.02 0.00 0.00 55.97 58.31 3he6 s LYS 181 Cb -0.07 -3.23 0.87 0.00 -0.52 0.00 0.00 37.83 34.88 3he6 s LYS 181 CO 0.01 -0.37 1.80 0.93 -0.92 0.00 0.00 175.35 176.79 3he6 h GLU 182 N 6.31 0.00 -2.86 1.68 5.08 -1.22 -3.37 114.58 120.20 3he6 h GLU 182 Ca -0.43 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.39 3he6 h GLU 182 Cb 1.21 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.06 3he6 h GLU 182 CO 0.83 0.07 -0.78 -0.65 -1.00 0.00 0.00 179.01 177.48 3he6 s GLN 183 N -3.47 0.30 0.45 2.33 -0.21 -1.26 -5.02 119.66 112.78 3he6 s GLN 183 Ca 0.03 -0.70 0.14 0.00 0.02 0.00 0.00 55.36 54.85 3he6 s GLN 183 Cb 0.08 -1.29 1.01 0.00 1.00 0.00 0.00 33.01 33.81 3he6 s GLN 183 CO 0.61 -1.04 2.01 -1.35 -2.12 0.00 0.00 175.29 173.40 3he6 h PRO 184 N 8.19 0.04 -0.07 2.91 0.11 -1.96 -3.10 132.00 138.12 3he6 h PRO 184 Ca -0.16 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.77 3he6 h PRO 184 Cb 1.00 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.12 3he6 h PRO 184 CO 0.42 0.18 -0.64 0.00 -0.21 0.00 0.00 178.00 177.75 3he6 h ALA 185 N 1.82 0.18 -2.79 -0.75 0.00 -1.96 -3.45 119.26 112.31 3he6 h ALA 185 Ca 0.01 -0.56 -0.51 0.00 0.00 0.00 0.00 54.91 53.84 3he6 h ALA 185 Cb 0.28 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.10 3he6 h ALA 185 CO 0.02 0.47 0.53 -0.51 0.00 0.00 0.00 179.25 179.76 3he6 s LEU 186 N -8.44 4.50 0.26 0.00 1.43 -1.17 -4.96 118.68 110.30 3he6 s LEU 186 Ca -0.12 2.35 0.15 0.00 -1.03 0.00 0.00 54.13 55.48 3he6 s LEU 186 Cb 0.06 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.70 3he6 s LEU 186 CO 0.85 -0.28 1.40 -1.13 0.23 0.00 0.00 176.35 177.42 3he6 h ASN 187 N 4.07 0.00 -0.54 2.29 -1.24 -1.87 -3.18 115.58 115.11 3he6 h ASN 187 Ca -0.47 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.54 3he6 h ASN 187 Cb 1.21 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.26 3he6 h ASN 187 CO 0.68 0.51 0.00 -0.90 -1.29 0.00 0.00 177.43 176.43 3he6 n ASP 188 N -3.20 5.55 -4.55 1.15 5.75 -1.26 -5.04 116.55 114.96 3he6 n ASP 188 Ca 0.01 -2.95 -0.37 0.00 -0.01 0.00 0.00 54.79 51.47 3he6 n ASP 188 Cb 0.74 -0.67 0.06 0.00 -1.03 0.00 0.00 41.12 40.22 3he6 n ASP 188 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3he6 n SER 189 N 0.48 -0.13 -4.89 -1.12 2.88 -1.21 -5.00 113.62 104.64 3he6 n SER 189 Ca 0.27 0.71 -0.29 0.00 -1.33 0.00 0.00 58.87 58.23 3he6 n SER 189 Cb 1.18 -1.31 0.04 0.00 -0.75 0.00 0.00 64.21 63.37 3he6 n SER 189 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3he6 s ARG 190 N -2.73 2.95 0.30 -1.46 0.52 -1.26 -4.89 118.95 112.37 3he6 s ARG 190 Ca 0.72 0.39 0.10 0.00 -0.52 0.00 0.00 55.73 56.43 3he6 s ARG 190 Cb -0.39 -2.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.95 3he6 s ARG 190 CO 0.51 -0.92 -0.08 0.71 0.02 0.00 0.00 175.30 175.55 3he6 s TYR 191 N -3.26 2.49 -0.01 -0.53 2.02 0.83 -0.67 117.35 118.21 3he6 s TYR 191 Ca 0.57 -0.34 -0.04 0.00 -0.37 0.00 0.00 57.07 56.89 3he6 s TYR 191 Cb -0.11 -1.21 0.00 0.00 -0.40 0.00 0.00 41.96 40.24 3he6 s TYR 191 CO 0.51 0.62 0.08 0.00 -1.57 0.00 0.00 175.55 175.18 3he6 s ALA 192 N -2.46 -0.19 -0.05 3.71 0.00 -0.43 -1.99 121.76 120.35 3he6 s ALA 192 Ca 0.32 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.24 3he6 s ALA 192 Cb -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3he6 s ALA 192 CO 0.18 -0.12 -0.04 -1.17 0.00 0.00 0.00 175.76 174.60 3he6 s LEU 193 N -0.74 1.23 0.29 0.00 2.96 -0.21 -1.06 118.68 121.15 3he6 s LEU 193 Ca -0.08 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 3he6 s LEU 193 Cb -0.05 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 46.13 3he6 s LEU 193 CO 0.00 -0.07 0.40 -0.94 -1.32 0.00 0.00 176.35 174.42 3he6 s SER 194 N 1.09 6.10 -0.14 3.68 1.04 -1.26 -1.53 113.70 122.68 3he6 s SER 194 Ca -0.08 -0.08 -0.18 0.00 0.48 0.00 0.00 55.95 56.09 3he6 s SER 194 Cb -0.14 -1.53 0.05 0.00 0.10 0.00 0.00 66.02 64.50 3he6 s SER 194 CO -0.01 -0.24 0.49 -0.55 0.98 0.00 0.00 173.24 173.90 3he6 s SER 195 N -4.06 -0.48 -0.04 7.02 0.15 -0.65 -2.96 113.70 112.69 3he6 s SER 195 Ca 0.39 0.81 0.06 0.00 0.70 0.00 0.00 55.95 57.91 3he6 s SER 195 Cb -0.09 0.84 -0.02 0.00 -1.71 0.00 0.00 66.02 65.04 3he6 s SER 195 CO 0.30 -0.27 -0.20 -0.13 1.20 0.00 0.00 173.24 174.14 3he6 s ARG 196 N -0.17 2.31 -0.16 5.44 0.52 0.85 0.52 118.95 128.26 3he6 s ARG 196 Ca -0.04 -0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 54.36 3he6 s ARG 196 Cb -0.03 -2.22 0.04 0.00 0.52 0.00 0.00 34.95 33.26 3he6 s ARG 196 CO 0.02 0.59 -0.05 -1.17 0.02 0.00 0.00 175.30 174.72 3he6 s LEU 197 N -0.68 1.57 -0.14 2.53 2.96 -0.50 -0.33 118.68 124.10 3he6 s LEU 197 Ca 0.11 -0.64 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 3he6 s LEU 197 Cb -0.10 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 3he6 s LEU 197 CO -0.00 -0.18 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.16 3he6 s ARG 198 N 1.65 3.50 0.37 1.98 3.52 -0.70 -0.28 118.95 128.98 3he6 s ARG 198 Ca 0.01 -0.61 0.05 0.00 -0.13 0.00 0.00 55.73 55.05 3he6 s ARG 198 Cb -0.15 -2.76 -0.03 0.00 -1.56 0.00 0.00 34.95 30.45 3he6 s ARG 198 CO -0.08 0.24 0.17 0.14 -0.81 0.00 0.00 175.30 174.97 3he6 s VAL 199 N 0.32 0.39 0.54 7.11 -7.23 -0.39 -4.65 120.40 116.49 3he6 s VAL 199 Ca -0.07 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.89 3he6 s VAL 199 Cb -0.15 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 3he6 s VAL 199 CO 0.04 0.00 1.24 -0.94 -0.31 0.00 0.00 175.10 175.14 3he6 s SER 200 N -3.50 5.52 0.14 4.85 1.04 -1.26 0.22 113.70 120.71 3he6 s SER 200 Ca 0.31 2.48 -0.27 0.00 0.48 0.00 0.00 55.95 58.95 3he6 s SER 200 Cb 0.03 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 3he6 s SER 200 CO 0.18 -1.38 1.59 0.00 0.98 0.00 0.00 173.24 174.62 3he6 h ALA 201 N 1.43 -0.43 -0.30 5.32 0.00 -0.90 -1.62 119.26 122.76 3he6 h ALA 201 Ca -0.50 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.53 3he6 h ALA 201 Cb 1.28 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 3he6 h ALA 201 CO 0.57 -0.84 0.24 1.79 0.00 0.00 0.00 179.25 181.01 3he6 h THR 202 N -0.40 0.71 -0.14 0.00 1.35 -1.92 0.49 112.91 113.00 3he6 h THR 202 Ca 0.11 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.89 3he6 h THR 202 Cb 0.58 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3he6 h THR 202 CO -0.44 0.00 -0.24 0.15 -0.25 0.00 0.00 175.52 174.74 3he6 h PHE 203 N 0.00 0.51 -0.13 4.73 3.04 -1.69 -3.10 116.94 120.29 3he6 h PHE 203 Ca 0.14 -0.18 -0.10 0.00 3.98 0.00 0.00 57.97 61.81 3he6 h PHE 203 Cb 0.62 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 3he6 h PHE 203 CO 0.00 0.86 -0.37 2.35 -2.02 0.00 0.00 178.31 179.13 3he6 h TRP 204 N 0.02 0.32 0.00 0.41 2.91 -0.30 -3.11 115.95 116.19 3he6 h TRP 204 Ca 0.01 -0.08 0.00 0.00 1.13 0.00 0.00 58.89 59.95 3he6 h TRP 204 Cb 0.81 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 3he6 h TRP 204 CO 0.10 0.61 0.00 1.96 -1.03 0.00 0.00 178.44 180.08 3he6 h GLN 205 N 0.24 0.00 -6.26 2.65 4.20 -0.12 -1.98 115.11 113.83 3he6 h GLN 205 Ca 0.03 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.17 3he6 h GLN 205 Cb 0.76 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 3he6 h GLN 205 CO 0.06 0.00 0.91 1.21 -0.67 0.00 0.00 178.83 180.34 3he6 s ASN 206 N -4.54 6.85 0.51 1.46 3.84 -1.17 -2.56 114.94 119.32 3he6 s ASN 206 Ca 0.04 1.33 0.29 0.00 0.21 0.00 0.00 52.86 54.72 3he6 s ASN 206 Cb 0.09 -2.54 1.29 0.00 -0.55 0.00 0.00 41.25 39.54 3he6 s ASN 206 CO 0.42 -0.91 1.97 1.55 -2.79 0.00 0.00 177.10 177.35 3he6 h PRO 207 N 8.55 0.00 0.00 0.43 0.13 -1.81 -3.10 132.00 136.20 3he6 h PRO 207 Ca -0.24 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 3he6 h PRO 207 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3he6 h PRO 207 CO 1.01 0.12 -0.14 0.00 -0.23 0.00 0.00 178.00 178.76 3he6 h ARG 208 N 0.00 0.00 -6.80 0.86 2.47 -1.91 -3.36 114.38 105.64 3he6 h ARG 208 Ca -0.00 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.21 3he6 h ARG 208 Cb 0.52 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.86 3he6 h ARG 208 CO 0.02 0.14 0.52 -0.80 0.56 0.00 0.00 179.97 180.40 3he6 s ASN 209 N -6.46 7.15 -0.08 7.04 0.01 -1.17 -4.97 114.94 116.45 3he6 s ASN 209 Ca -0.03 2.34 0.03 0.00 -0.71 0.00 0.00 52.86 54.49 3he6 s ASN 209 Cb 0.14 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 3he6 s ASN 209 CO 0.62 -0.25 -0.16 -2.28 -1.51 0.00 0.00 177.10 173.52 3he6 s HIS 210 N -0.99 2.69 -0.10 2.20 5.65 -1.26 -2.46 115.29 121.02 3he6 s HIS 210 Ca 0.47 -0.49 0.04 0.00 0.25 0.00 0.00 55.06 55.32 3he6 s HIS 210 Cb -0.33 -1.71 0.00 0.00 -1.18 0.00 0.00 32.58 29.36 3he6 s HIS 210 CO 0.43 -0.07 -0.22 -0.06 -0.65 0.00 0.00 174.74 174.17 3he6 s PHE 211 N -0.16 2.38 -0.05 3.88 0.40 0.77 -0.50 117.98 124.70 3he6 s PHE 211 Ca -0.01 -0.99 -0.00 0.00 -0.60 0.00 0.00 56.93 55.32 3he6 s PHE 211 Cb -0.14 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.81 3he6 s PHE 211 CO 0.03 -0.41 -0.00 0.50 0.70 0.00 0.00 175.22 176.04 3he6 s ARG 212 N 0.44 0.50 -0.17 0.44 3.52 0.15 -0.06 118.95 123.77 3he6 s ARG 212 Ca -0.17 0.07 -0.18 0.00 -0.13 0.00 0.00 55.73 55.32 3he6 s ARG 212 Cb -0.17 -0.74 -0.04 0.00 -1.56 0.00 0.00 34.95 32.44 3he6 s ARG 212 CO 0.07 -0.20 0.46 0.00 -0.81 0.00 0.00 175.30 174.83 3he6 s GLN 214 N 1.10 2.98 -0.18 0.00 0.74 -0.66 -1.89 119.66 121.75 3he6 s GLN 214 Ca 0.23 -0.84 -0.00 0.00 0.05 0.00 0.00 55.36 54.80 3he6 s GLN 214 Cb -0.15 -2.41 0.01 0.00 1.10 0.00 0.00 33.01 31.55 3he6 s GLN 214 CO 0.09 -0.02 -0.15 0.08 -0.55 0.00 0.00 175.29 174.74 3he6 s VAL 215 N 0.84 2.59 -0.21 1.34 1.01 -0.43 -0.58 120.40 124.95 3he6 s VAL 215 Ca -0.07 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 3he6 s VAL 215 Cb -0.15 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3he6 s VAL 215 CO -0.02 0.50 0.42 -1.58 0.00 0.00 0.00 175.10 174.42 3he6 s GLN 216 N 1.16 4.16 -0.07 2.72 2.00 0.12 -1.42 119.66 128.32 3he6 s GLN 216 Ca 0.01 0.23 0.03 0.00 -2.00 0.00 0.00 55.36 53.62 3he6 s GLN 216 Cb -0.14 -3.56 -0.02 0.00 0.80 0.00 0.00 33.01 30.09 3he6 s GLN 216 CO -0.06 -0.09 -0.14 0.12 -0.50 0.00 0.00 175.29 174.62 3he6 s PHE 217 N 1.48 2.72 -0.24 1.67 5.36 0.19 -1.54 117.98 127.62 3he6 s PHE 217 Ca 0.20 -0.31 -0.07 0.00 -0.96 0.00 0.00 56.93 55.79 3he6 s PHE 217 Cb -0.15 -1.69 -0.03 0.00 -0.34 0.00 0.00 43.02 40.81 3he6 s PHE 217 CO 0.08 0.07 0.07 0.71 -1.46 0.00 0.00 175.22 174.69 3he6 s TYR 218 N -0.42 3.10 0.00 10.12 1.51 -1.00 -1.12 117.35 129.54 3he6 s TYR 218 Ca 0.05 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 3he6 s TYR 218 Cb -0.12 -2.23 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 3he6 s TYR 218 CO 0.02 -0.30 0.00 0.41 -1.11 0.00 0.00 175.55 174.57 3he6 n GLY 219 N 4.80 3.73 3.95 0.71 0.00 -1.26 -4.74 105.19 112.37 3he6 n GLY 219 Ca -0.16 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 3he6 n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3he6 s LEU 220 N 0.00 3.83 0.00 0.99 1.02 -0.99 -4.44 118.68 119.09 3he6 s LEU 220 Ca 0.00 0.32 0.00 0.00 0.02 0.00 0.00 54.13 54.47 3he6 s LEU 220 Cb 0.00 -3.20 0.00 0.00 0.02 0.00 0.00 46.19 43.01 3he6 s LEU 220 CO 0.00 -0.51 0.00 -1.54 0.02 0.00 0.00 176.35 174.32 3he6 n SER 221 N -1.92 1.53 -0.02 2.29 3.41 -1.26 -1.54 113.62 116.10 3he6 n SER 221 Ca -0.01 -0.77 -0.05 0.00 -0.26 0.00 0.00 58.87 57.78 3he6 n SER 221 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 3he6 n SER 221 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3he6 h GLU 222 N 0.00 -0.17 -2.53 4.33 5.08 -2.01 -3.18 114.58 116.09 3he6 h GLU 222 Ca 0.00 0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.73 3he6 h GLU 222 Cb 0.00 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.19 3he6 h GLU 222 CO 0.00 -0.11 2.13 0.09 -1.00 0.00 0.00 179.01 180.12 3he6 n ASN 223 N -3.57 7.72 -4.12 1.42 5.03 -1.26 -4.87 115.26 115.61 3he6 n ASN 223 Ca -0.02 -3.00 -0.32 0.00 0.87 0.00 0.00 54.58 52.12 3he6 n ASN 223 Cb 0.12 -1.38 -0.16 0.00 -1.02 0.00 0.00 39.78 37.34 3he6 n ASN 223 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3he6 s ASP 224 N 0.82 2.95 0.10 6.41 1.11 -1.21 -5.10 116.67 121.75 3he6 s ASP 224 Ca 0.59 -0.57 -0.31 0.00 0.18 0.00 0.00 52.55 52.44 3he6 s ASP 224 Cb 0.23 -1.36 -0.08 0.00 1.07 0.00 0.00 42.92 42.77 3he6 s ASP 224 CO -0.11 0.03 1.56 -0.70 1.18 0.00 0.00 175.17 177.14 3he6 s GLU 225 N 1.08 4.23 -0.20 8.23 2.12 -1.26 -4.95 118.70 127.94 3he6 s GLU 225 Ca -0.02 2.27 -0.03 0.00 0.36 0.00 0.00 54.97 57.55 3he6 s GLU 225 Cb -0.14 -3.41 0.06 0.00 0.26 0.00 0.00 34.13 30.90 3he6 s GLU 225 CO -0.06 -0.64 0.05 -0.46 -0.54 0.00 0.00 175.26 173.61 3he6 s TRP 226 N 1.94 0.93 -0.29 5.30 -0.11 -1.26 -4.99 118.94 120.47 3he6 s TRP 226 Ca 0.70 -0.85 0.15 0.00 1.22 0.00 0.00 56.10 57.32 3he6 s TRP 226 Cb -0.40 -1.03 -0.20 0.00 -1.50 0.00 0.00 33.47 30.35 3he6 s TRP 226 CO 0.31 -0.63 0.44 0.25 -4.62 0.00 0.00 176.95 172.70 3he6 n THR 227 N 5.07 0.00 -0.62 5.86 -2.24 -1.26 -5.03 114.28 116.07 3he6 n THR 227 Ca -0.08 -0.27 -0.28 0.00 -2.27 0.00 0.00 64.05 61.15 3he6 n THR 227 Cb 0.47 0.50 0.25 0.00 -2.10 0.00 0.00 70.33 69.45 3he6 n THR 227 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3he6 s GLN 228 N -2.76 -1.10 -0.14 -0.78 -1.52 -1.26 -5.00 119.66 107.10 3he6 s GLN 228 Ca -0.01 0.66 -0.24 0.00 -1.95 0.00 0.00 55.36 53.82 3he6 s GLN 228 Cb 0.10 -1.55 -0.21 0.00 -0.22 0.00 0.00 33.01 31.13 3he6 s GLN 228 CO 0.61 -3.80 0.58 0.22 -0.25 0.00 0.00 175.29 172.65 3he6 h ASP 229 N -2.67 0.00 -3.34 5.90 -0.00 -2.03 -3.47 116.42 110.81 3he6 h ASP 229 Ca -0.59 -0.79 -0.47 0.00 -0.00 0.00 0.00 57.03 55.18 3he6 h ASP 229 Cb 1.34 0.00 0.22 0.00 -0.00 0.00 0.00 39.33 40.88 3he6 h ASP 229 CO 0.49 0.99 -0.18 -2.11 -0.00 0.00 0.00 179.24 178.44 3he6 n ARG 230 N -4.61 -1.68 -1.85 0.28 1.85 -1.26 -4.95 116.66 104.44 3he6 n ARG 230 Ca -0.12 -0.45 -0.38 0.00 -1.00 0.00 0.00 57.85 55.90 3he6 n ARG 230 Cb 0.44 -2.12 0.03 0.00 -1.05 0.00 0.00 32.46 29.76 3he6 n ARG 230 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3he6 s ALA 231 N -2.43 2.91 -0.01 2.89 0.00 -1.26 -4.92 121.76 118.94 3he6 s ALA 231 Ca 0.65 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 53.62 3he6 s ALA 231 Cb -0.22 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.28 3he6 s ALA 231 CO 0.64 -1.25 1.64 0.21 0.00 0.00 0.00 175.76 177.00 3he6 s LYS 232 N -2.79 4.19 -1.58 0.00 2.20 -1.26 -4.89 119.74 115.61 3he6 s LYS 232 Ca 0.69 2.22 -0.10 0.00 -0.36 0.00 0.00 55.97 58.42 3he6 s LYS 232 Cb -0.40 -3.85 -0.09 0.00 -1.51 0.00 0.00 37.83 31.98 3he6 s LYS 232 CO 0.48 -0.79 2.95 -0.35 -0.36 0.00 0.00 175.35 177.27 3he6 n PRO 233 N 6.57 3.63 -0.95 4.03 -0.04 -1.26 -4.94 135.00 142.04 3he6 n PRO 233 Ca 0.17 -2.15 -0.30 0.00 -0.04 0.00 0.00 63.50 61.17 3he6 n PRO 233 Cb 0.42 -2.77 0.17 0.00 -0.04 0.00 0.00 33.50 31.28 3he6 n PRO 233 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3he6 s VAL 234 N 2.19 2.42 -0.09 0.52 -7.23 -1.26 -2.35 120.40 114.60 3he6 s VAL 234 Ca 0.69 0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 60.70 3he6 s VAL 234 Cb 0.18 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.64 3he6 s VAL 234 CO -0.06 -0.18 1.82 -0.89 -0.31 0.00 0.00 175.10 175.48 3he6 s THR 235 N -2.76 3.36 0.19 5.32 2.01 -0.59 -4.34 115.64 118.83 3he6 s THR 235 Ca 0.65 0.42 -0.10 0.00 0.31 0.00 0.00 61.69 62.97 3he6 s THR 235 Cb -0.21 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 68.98 3he6 s THR 235 CO 0.59 -0.09 0.35 0.00 -0.69 0.00 0.00 174.62 174.78 3he6 s GLN 236 N 4.62 1.29 -0.18 4.92 -2.07 -0.28 -4.90 119.66 123.07 3he6 s GLN 236 Ca 0.81 -1.21 -0.05 0.00 -1.82 0.00 0.00 55.36 53.09 3he6 s GLN 236 Cb -0.34 0.41 -0.03 0.00 -1.09 0.00 0.00 33.01 31.95 3he6 s GLN 236 CO 0.34 -0.50 0.01 0.42 -1.32 0.00 0.00 175.29 174.24 3he6 s ILE 237 N -3.99 4.23 -0.09 3.63 1.01 -1.26 -0.64 121.20 124.08 3he6 s ILE 237 Ca 0.20 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.64 3he6 s ILE 237 Cb 0.02 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 3he6 s ILE 237 CO 0.03 0.47 -0.17 -0.69 0.00 0.00 0.00 174.94 174.58 3he6 s VAL 238 N 0.51 2.71 0.03 2.92 1.01 -0.51 -5.01 120.40 122.06 3he6 s VAL 238 Ca -0.00 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.22 3he6 s VAL 238 Cb -0.14 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 3he6 s VAL 238 CO 0.02 0.55 -0.16 -0.44 0.00 0.00 0.00 175.10 175.08 3he6 s SER 239 N 0.02 1.84 0.30 3.32 0.01 -1.26 -1.32 113.70 116.61 3he6 s SER 239 Ca -0.06 -0.42 0.11 0.00 1.31 0.00 0.00 55.95 56.89 3he6 s SER 239 Cb -0.15 -0.15 -0.06 0.00 0.21 0.00 0.00 66.02 65.88 3he6 s SER 239 CO 0.05 0.10 -0.15 0.00 0.41 0.00 0.00 173.24 173.65 3he6 s ALA 240 N -0.70 2.78 0.07 1.44 0.00 -0.79 -4.90 121.76 119.66 3he6 s ALA 240 Ca 0.04 -1.95 -0.14 0.00 0.00 0.00 0.00 51.96 49.90 3he6 s ALA 240 Cb -0.07 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.92 3he6 s ALA 240 CO 0.01 0.18 0.33 -1.83 0.00 0.00 0.00 175.76 174.45 3he6 s GLU 241 N -3.56 0.89 0.03 0.00 -1.05 -1.26 -0.67 118.70 113.08 3he6 s GLU 241 Ca 0.31 -0.59 -0.11 0.00 -0.15 0.00 0.00 54.97 54.43 3he6 s GLU 241 Cb -0.02 0.39 0.01 0.00 -0.44 0.00 0.00 34.13 34.07 3he6 s GLU 241 CO 0.15 -0.31 0.23 0.00 0.95 0.00 0.00 175.26 176.29 3he6 s ALA 242 N -3.00 -0.50 0.25 -0.84 0.00 0.91 -4.87 121.76 113.72 3he6 s ALA 242 Ca -0.02 -0.11 0.09 0.00 0.00 0.00 0.00 51.96 51.91 3he6 s ALA 242 Cb 0.01 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3he6 s ALA 242 CO -0.06 -0.35 0.02 -1.58 0.00 0.00 0.00 175.76 173.79 3he6 s TRP 243 N -2.30 2.78 0.88 0.00 0.52 -1.26 -0.17 118.94 119.40 3he6 s TRP 243 Ca -0.07 -0.19 -0.12 0.00 0.02 0.00 0.00 56.10 55.74 3he6 s TRP 243 Cb -0.02 -1.26 0.12 0.00 -1.15 0.00 0.00 33.47 31.16 3he6 s TRP 243 CO -0.02 0.59 1.10 0.20 0.02 0.00 0.00 176.95 178.83 3he6 s GLY 244 N -3.56 1.61 -0.18 0.98 0.00 -1.03 -4.97 107.32 100.17 3he6 s GLY 244 Ca 0.31 -0.15 -0.19 0.00 0.00 0.00 0.00 44.72 44.69 3he6 s GLY 244 CO 0.20 0.34 0.52 0.50 0.00 0.00 0.00 173.10 174.67 3he6 s ARG 245 N -5.01 0.65 0.04 2.90 0.52 -0.75 -4.07 118.95 113.23 3he6 s ARG 245 Ca 0.63 0.65 0.27 0.00 -0.52 0.00 0.00 55.73 56.76 3he6 s ARG 245 Cb -0.17 0.31 0.86 0.00 0.52 0.00 0.00 34.95 36.48 3he6 s ARG 245 CO 0.56 -0.10 1.69 0.00 0.02 0.00 0.00 175.30 177.47 3he6 n ALA 246 N 2.59 2.75 -0.38 2.13 0.00 -1.06 -4.09 120.51 122.45 3he6 n ALA 246 Ca -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3he6 n ALA 246 Cb 0.56 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3he6 n ALA 246 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03