#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ds6 s GLN 2 N 0.00 3.77 -0.17 0.03 0.74 -1.15 -5.00 119.66 117.87 1ds6 s GLN 2 Ca 0.00 0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.66 1ds6 s GLN 2 Cb 0.00 -3.19 0.02 0.00 1.10 0.00 0.00 33.01 30.93 1ds6 s GLN 2 CO 0.00 0.71 -0.20 0.00 -0.55 0.00 0.00 175.29 175.25 1ds6 s ALA 3 N -1.09 2.30 -0.15 1.58 0.00 -1.26 -1.15 121.76 121.99 1ds6 s ALA 3 Ca 0.22 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1ds6 s ALA 3 Cb -0.15 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1ds6 s ALA 3 CO 0.11 -0.32 -0.18 0.42 0.00 0.00 0.00 175.76 175.80 1ds6 s ILE 4 N 1.25 1.82 -0.23 0.00 1.01 -0.95 -5.00 121.20 119.10 1ds6 s ILE 4 Ca 0.04 -0.81 -0.13 0.00 0.00 0.00 0.00 60.65 59.75 1ds6 s ILE 4 Cb -0.13 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1ds6 s ILE 4 CO -0.12 0.50 0.27 -0.75 0.00 0.00 0.00 174.94 174.84 1ds6 s LYS 5 N 1.19 4.10 -0.12 2.79 2.20 -1.26 -0.88 119.74 127.76 1ds6 s LYS 5 Ca 0.00 -0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.57 1ds6 s LYS 5 Cb -0.14 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 1ds6 s LYS 5 CO -0.08 -0.01 -0.21 0.00 -0.36 0.00 0.00 175.35 174.69 1ds6 s VAL 7 N 0.69 3.26 -0.24 0.00 1.01 -0.90 -1.14 120.40 123.08 1ds6 s VAL 7 Ca -0.11 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1ds6 s VAL 7 Cb -0.16 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1ds6 s VAL 7 CO 0.02 0.55 0.03 -0.69 0.00 0.00 0.00 175.10 175.01 1ds6 s VAL 8 N -0.19 3.94 0.31 2.92 1.01 -0.42 -0.70 120.40 127.27 1ds6 s VAL 8 Ca 0.01 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1ds6 s VAL 8 Cb -0.13 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 1ds6 s VAL 8 CO 0.03 0.35 -0.07 0.68 0.00 0.00 0.00 175.10 176.10 1ds6 s VAL 9 N 1.56 1.85 0.00 2.92 -7.23 -0.29 -3.53 120.40 115.69 1ds6 s VAL 9 Ca 0.06 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1ds6 s VAL 9 Cb -0.15 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1ds6 s VAL 9 CO 0.01 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1ds6 n GLY 10 N -0.67 2.68 3.61 2.32 0.00 -1.26 -0.40 105.19 111.47 1ds6 n GLY 10 Ca -0.05 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 1ds6 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ds6 n ASP 11 N 0.00 0.27 -4.76 1.61 9.92 -1.26 -4.52 116.55 117.81 1ds6 n ASP 11 Ca 0.00 0.60 -0.36 0.00 -0.53 0.00 0.00 54.79 54.50 1ds6 n ASP 11 Cb 0.00 -1.41 0.01 0.00 -0.64 0.00 0.00 41.12 39.09 1ds6 n ASP 11 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1ds6 s GLY 12 N -1.84 2.72 0.00 0.44 0.00 -1.26 -2.90 107.32 104.48 1ds6 s GLY 12 Ca 0.71 0.95 0.00 0.00 0.00 0.00 0.00 44.72 46.38 1ds6 s GLY 12 CO 0.53 1.34 0.00 0.00 0.00 0.00 0.00 173.10 174.97 1ds6 n ALA 13 N -1.26 0.00 0.64 3.20 0.00 -1.26 -4.88 120.51 116.94 1ds6 n ALA 13 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.69 1ds6 n ALA 13 Cb 0.50 -0.32 0.42 0.00 0.00 0.00 0.00 19.45 20.05 1ds6 n ALA 13 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ds6 n VAL 14 N -2.19 0.57 0.00 0.00 0.24 -1.14 -4.93 118.33 110.88 1ds6 n VAL 14 Ca 0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1ds6 n VAL 14 Cb 0.04 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 1ds6 n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ds6 n GLY 15 N 1.26 1.46 0.14 7.63 0.00 -1.26 -4.55 105.19 109.86 1ds6 n GLY 15 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1ds6 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ds6 h LYS 16 N 0.00 -0.17 -0.05 1.61 1.57 -1.91 -0.98 116.57 116.63 1ds6 h LYS 16 Ca 0.00 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ds6 h LYS 16 Cb 0.00 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1ds6 h LYS 16 CO 0.00 -0.11 0.01 1.15 -0.57 0.00 0.00 179.45 179.93 1ds6 h THR 17 N -0.18 1.18 -0.71 -0.16 2.02 -1.92 -2.47 112.91 110.67 1ds6 h THR 17 Ca 0.02 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1ds6 h THR 17 Cb 0.20 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 1ds6 h THR 17 CO -0.07 0.15 0.47 0.00 0.37 0.00 0.00 175.52 176.44 1ds6 h LEU 19 N 0.86 0.57 -0.11 0.00 6.46 -0.97 0.34 115.31 122.45 1ds6 h LEU 19 Ca 0.28 -0.05 -0.22 0.00 -0.12 0.00 0.00 57.88 57.78 1ds6 h LEU 19 Cb 0.06 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1ds6 h LEU 19 CO -0.08 0.45 -0.78 -0.07 -0.62 0.00 0.00 178.44 177.34 1ds6 h LEU 20 N 0.64 0.87 -0.29 2.25 3.38 -0.86 -2.00 115.31 119.30 1ds6 h LEU 20 Ca 0.17 -0.66 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 1ds6 h LEU 20 Cb -0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1ds6 h LEU 20 CO -0.03 1.40 -0.11 0.40 0.09 0.00 0.00 178.44 180.18 1ds6 h ILE 21 N 0.42 1.29 -0.44 1.22 2.04 -0.55 -0.78 117.51 120.71 1ds6 h ILE 21 Ca -0.07 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1ds6 h ILE 21 Cb 1.42 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 1ds6 h ILE 21 CO 0.16 0.38 0.29 -1.28 0.00 0.00 0.00 178.15 177.69 1ds6 h SER 22 N 0.34 0.51 -0.21 1.72 0.87 -0.38 0.02 113.55 116.41 1ds6 h SER 22 Ca 0.07 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1ds6 h SER 22 Cb 0.62 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1ds6 h SER 22 CO 0.04 0.38 -0.00 0.22 -0.53 0.00 0.00 176.83 176.93 1ds6 h TYR 23 N 0.59 0.40 -0.03 2.24 3.20 -1.29 -0.78 116.97 121.30 1ds6 h TYR 23 Ca 0.16 -0.07 -0.22 0.00 3.14 0.00 0.00 58.73 61.74 1ds6 h TYR 23 Cb -0.06 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.11 1ds6 h TYR 23 CO -0.04 0.56 -0.89 1.79 -1.64 0.00 0.00 178.16 177.93 1ds6 h THR 24 N 0.13 1.38 0.00 1.81 1.35 -1.03 -3.32 112.91 113.24 1ds6 h THR 24 Ca 0.06 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.58 1ds6 h THR 24 Cb 0.40 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1ds6 h THR 24 CO 0.01 0.70 -0.88 0.35 -0.25 0.00 0.00 175.52 175.45 1ds6 n THR 25 N -3.78 0.02 -1.30 6.82 -2.24 -0.02 -4.97 114.28 108.81 1ds6 n THR 25 Ca -0.06 -0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1ds6 n THR 25 Cb 0.80 0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 69.64 1ds6 n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ds6 n ASN 26 N -1.58 -4.23 -3.75 3.42 5.15 -0.31 -4.99 115.26 108.97 1ds6 n ASN 26 Ca 0.04 0.25 -0.13 0.00 -0.60 0.00 0.00 54.58 54.14 1ds6 n ASN 26 Cb 0.35 -2.64 -0.10 0.00 -0.53 0.00 0.00 39.78 36.86 1ds6 n ASN 26 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ds6 s ALA 27 N -2.38 -0.89 0.12 5.20 0.00 -1.15 -5.02 121.76 117.63 1ds6 s ALA 27 Ca 0.00 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1ds6 s ALA 27 Cb 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 23.12 22.51 1ds6 s ALA 27 CO 0.00 -0.18 1.01 0.12 0.00 0.00 0.00 175.76 176.71 1ds6 s PHE 28 N 0.09 3.74 0.00 0.00 5.36 -1.26 -3.76 117.98 122.15 1ds6 s PHE 28 Ca -0.01 1.73 0.00 0.00 -0.96 0.00 0.00 56.93 57.69 1ds6 s PHE 28 Cb -0.03 -3.13 0.00 0.00 -0.34 0.00 0.00 43.02 39.53 1ds6 s PHE 28 CO 0.01 -0.07 0.83 -2.30 -1.46 0.00 0.00 175.22 172.23 1ds6 n PRO 29 N 2.77 0.00 -3.77 10.12 -0.02 -1.26 -4.92 135.00 137.92 1ds6 n PRO 29 Ca 0.03 0.53 -0.24 0.00 -2.02 0.00 0.00 63.50 61.79 1ds6 n PRO 29 Cb 0.48 -1.33 0.03 0.00 -0.02 0.00 0.00 33.50 32.67 1ds6 n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ds6 n GLY 30 N -0.90 -0.35 0.00 -1.23 0.00 -1.26 -4.73 105.19 96.72 1ds6 n GLY 30 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ds6 n GLY 30 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ds6 n GLU 31 N -4.42 0.00 -3.62 1.61 2.13 -1.26 -5.10 120.64 109.99 1ds6 n GLU 31 Ca -0.19 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.26 1ds6 n GLU 31 Cb 0.63 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.25 1ds6 n GLU 31 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1ds6 s TYR 32 N 0.85 3.31 -0.19 4.31 5.04 -1.26 -5.06 117.35 124.34 1ds6 s TYR 32 Ca 0.00 0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.90 1ds6 s TYR 32 Cb 0.00 -2.31 0.04 0.00 0.35 0.00 0.00 41.96 40.04 1ds6 s TYR 32 CO 0.00 0.03 -0.09 0.42 -1.34 0.00 0.00 175.55 174.57 1ds6 s ILE 33 N 1.17 1.53 0.73 3.14 1.01 -1.26 -4.95 121.20 122.56 1ds6 s ILE 33 Ca 0.09 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 1ds6 s ILE 33 Cb -0.14 -1.63 0.04 0.00 0.01 0.00 0.00 42.46 40.74 1ds6 s ILE 33 CO 0.06 0.15 1.12 -2.16 0.00 0.00 0.00 174.94 174.10 1ds6 s PRO 34 N 1.45 2.40 0.41 2.79 0.04 -1.26 -4.91 135.00 135.92 1ds6 s PRO 34 Ca -0.01 1.36 0.09 0.00 0.04 0.00 0.00 61.00 62.47 1ds6 s PRO 34 Cb -0.16 -1.90 0.87 0.00 0.04 0.00 0.00 34.50 33.34 1ds6 s PRO 34 CO -0.08 -1.56 2.00 1.15 0.04 0.00 0.00 177.00 178.55 1ds6 h THR 35 N -0.58 1.12 -3.24 1.26 2.02 -2.01 -3.42 112.91 108.06 1ds6 h THR 35 Ca -0.45 -0.43 -0.20 0.00 0.77 0.00 0.00 66.41 66.10 1ds6 h THR 35 Cb 1.25 0.87 -0.28 0.00 -1.74 0.00 0.00 68.15 68.25 1ds6 h THR 35 CO 0.52 0.15 -0.52 0.54 0.37 0.00 0.00 175.52 176.58 1ds6 s VAL 36 N -5.11 -0.02 0.46 3.16 0.11 -1.26 -4.86 120.40 112.88 1ds6 s VAL 36 Ca -0.07 0.06 -0.20 0.00 -2.93 0.00 0.00 61.98 58.84 1ds6 s VAL 36 Cb 0.16 -0.28 -0.10 0.00 -1.53 0.00 0.00 36.38 34.64 1ds6 s VAL 36 CO 0.73 0.02 0.98 0.12 -3.33 0.00 0.00 175.10 173.62 1ds6 s PHE 37 N 0.48 3.22 0.62 1.54 5.36 -1.26 -5.05 117.98 122.89 1ds6 s PHE 37 Ca -0.03 1.58 -0.12 0.00 -0.96 0.00 0.00 56.93 57.40 1ds6 s PHE 37 Cb -0.05 -2.91 -0.03 0.00 -0.34 0.00 0.00 43.02 39.69 1ds6 s PHE 37 CO -0.02 -0.40 1.03 -0.51 -1.46 0.00 0.00 175.22 173.86 1ds6 s ASP 38 N -2.25 6.03 -0.09 6.13 1.01 -1.26 -4.45 116.67 121.80 1ds6 s ASP 38 Ca 0.63 1.52 -0.30 0.00 0.71 0.00 0.00 52.55 55.12 1ds6 s ASP 38 Cb -0.12 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1ds6 s ASP 38 CO 0.18 -1.00 1.39 0.20 0.21 0.00 0.00 175.17 176.15 1ds6 s ASN 39 N -3.82 6.86 0.13 0.27 0.01 -1.26 -4.87 114.94 112.26 1ds6 s ASN 39 Ca 0.57 1.94 0.04 0.00 -0.71 0.00 0.00 52.86 54.70 1ds6 s ASN 39 Cb -0.12 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 1ds6 s ASN 39 CO 0.50 -0.78 -0.09 -0.31 -1.51 0.00 0.00 177.10 174.91 1ds6 s TYR 40 N 3.28 1.16 -0.10 2.20 1.51 -1.23 -4.98 117.35 119.19 1ds6 s TYR 40 Ca 0.62 -0.78 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 1ds6 s TYR 40 Cb -0.27 -0.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.98 1ds6 s TYR 40 CO 0.22 0.02 -0.21 0.45 -1.11 0.00 0.00 175.55 174.92 1ds6 s SER 41 N -3.04 2.80 -0.26 2.29 0.15 -1.26 -0.33 113.70 114.06 1ds6 s SER 41 Ca 0.14 -0.51 -0.13 0.00 0.70 0.00 0.00 55.95 56.16 1ds6 s SER 41 Cb 0.02 -1.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.00 1ds6 s SER 41 CO -0.01 0.12 0.27 0.00 1.20 0.00 0.00 173.24 174.82 1ds6 s ALA 42 N 0.50 3.56 -0.61 5.45 0.00 0.13 -4.86 121.76 125.94 1ds6 s ALA 42 Ca -0.16 -0.89 -0.24 0.00 0.00 0.00 0.00 51.96 50.67 1ds6 s ALA 42 Cb -0.17 -2.53 0.05 0.00 0.00 0.00 0.00 23.12 20.47 1ds6 s ALA 42 CO 0.06 -0.47 0.99 -0.80 0.00 0.00 0.00 175.76 175.54 1ds6 s ASN 43 N 1.47 6.27 0.31 0.00 0.01 -1.26 -0.56 114.94 121.17 1ds6 s ASN 43 Ca 0.11 -0.55 0.10 0.00 -0.71 0.00 0.00 52.86 51.81 1ds6 s ASN 43 Cb -0.15 -2.45 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 1ds6 s ASN 43 CO 0.09 -1.37 -0.06 -0.69 -1.51 0.00 0.00 177.10 173.56 1ds6 s VAL 44 N 4.20 2.74 -0.12 1.60 1.01 0.66 -4.98 120.40 125.51 1ds6 s VAL 44 Ca 0.29 -2.11 0.03 0.00 0.00 0.00 0.00 61.98 60.19 1ds6 s VAL 44 Cb -0.13 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1ds6 s VAL 44 CO 0.16 -0.30 -0.23 -0.04 0.00 0.00 0.00 175.10 174.69 1ds6 s MET 45 N -3.64 3.04 -0.47 2.72 -1.94 -1.26 -0.94 119.30 116.82 1ds6 s MET 45 Ca 0.32 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.46 1ds6 s MET 45 Cb -0.03 -2.36 0.14 0.00 2.01 0.00 0.00 34.83 34.59 1ds6 s MET 45 CO 0.18 0.09 0.28 0.08 -0.01 0.00 0.00 175.02 175.65 1ds6 s VAL 46 N 0.55 1.42 -0.43 -6.03 1.01 -0.79 -4.92 120.40 111.21 1ds6 s VAL 46 Ca -0.14 -2.76 -0.21 0.00 0.00 0.00 0.00 61.98 58.88 1ds6 s VAL 46 Cb -0.17 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1ds6 s VAL 46 CO 0.04 -0.96 0.61 0.47 0.00 0.00 0.00 175.10 175.27 1ds6 n ASP 47 N 3.27 -7.48 -0.07 3.32 8.00 -1.26 -3.07 116.55 119.26 1ds6 n ASP 47 Ca 0.13 0.40 -0.01 0.00 0.71 0.00 0.00 54.79 56.02 1ds6 n ASP 47 Cb 0.36 -4.66 -0.00 0.00 -0.02 0.00 0.00 41.12 36.80 1ds6 n ASP 47 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ds6 n SER 48 N -0.28 -3.97 -4.50 -2.24 3.41 -1.26 -4.94 113.62 99.84 1ds6 n SER 48 Ca 0.08 0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.32 1ds6 n SER 48 Cb 0.50 -2.54 -0.11 0.00 -0.26 0.00 0.00 64.21 61.80 1ds6 n SER 48 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ds6 s LYS 49 N -1.42 3.62 -0.60 4.33 1.02 -1.18 -5.06 119.74 120.45 1ds6 s LYS 49 Ca 0.00 -0.54 -0.28 0.00 0.02 0.00 0.00 55.97 55.17 1ds6 s LYS 49 Cb 0.00 -3.59 0.02 0.00 -0.52 0.00 0.00 37.83 33.74 1ds6 s LYS 49 CO 0.00 -0.31 1.29 -2.14 -0.92 0.00 0.00 175.35 173.28 1ds6 s PRO 50 N 1.68 3.38 -0.09 -1.68 0.02 -1.26 -1.88 135.00 135.17 1ds6 s PRO 50 Ca 0.06 0.25 0.02 0.00 0.02 0.00 0.00 61.00 61.36 1ds6 s PRO 50 Cb -0.16 -4.08 -0.02 0.00 0.02 0.00 0.00 34.50 30.26 1ds6 s PRO 50 CO 0.08 -1.85 -0.17 0.08 -0.33 0.00 0.00 177.00 174.81 1ds6 s VAL 51 N 5.51 2.78 -0.53 3.83 1.01 -0.11 -2.94 120.40 129.95 1ds6 s VAL 51 Ca 0.45 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 1ds6 s VAL 51 Cb -0.09 -2.11 0.14 0.00 0.00 0.00 0.00 36.38 34.31 1ds6 s VAL 51 CO 0.24 0.55 0.38 0.20 0.00 0.00 0.00 175.10 176.47 1ds6 s ASN 52 N -0.01 5.61 -0.48 3.32 -0.87 -0.30 -0.25 114.94 121.96 1ds6 s ASN 52 Ca -0.05 -2.23 -0.23 0.00 -1.57 0.00 0.00 52.86 48.77 1ds6 s ASN 52 Cb -0.14 -1.96 0.03 0.00 -0.02 0.00 0.00 41.25 39.16 1ds6 s ASN 52 CO 0.04 -0.58 0.83 -0.22 -2.57 0.00 0.00 177.10 174.61 1ds6 s LEU 53 N 0.87 4.23 -0.09 0.60 2.96 0.28 -2.24 118.68 125.28 1ds6 s LEU 53 Ca 0.10 -0.18 -0.25 0.00 -0.22 0.00 0.00 54.13 53.58 1ds6 s LEU 53 Cb -0.23 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 1ds6 s LEU 53 CO -0.03 -1.00 0.78 -0.83 -1.32 0.00 0.00 176.35 173.95 1ds6 s GLY 54 N 2.34 2.49 -0.11 7.98 0.00 -0.06 0.20 107.32 120.17 1ds6 s GLY 54 Ca 0.30 0.16 -0.03 0.00 0.00 0.00 0.00 44.72 45.15 1ds6 s GLY 54 CO 0.22 1.42 -0.00 1.08 0.00 0.00 0.00 173.10 175.81 1ds6 s LEU 55 N 1.29 3.51 -0.10 0.66 1.43 0.56 -0.95 118.68 125.07 1ds6 s LEU 55 Ca 0.40 0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1ds6 s LEU 55 Cb -0.18 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1ds6 s LEU 55 CO 0.18 0.32 -0.07 0.26 0.23 0.00 0.00 176.35 177.26 1ds6 s TRP 56 N -0.50 1.40 0.57 0.29 0.52 -0.29 -3.49 118.94 117.44 1ds6 s TRP 56 Ca 0.09 -0.66 -0.02 0.00 0.02 0.00 0.00 56.10 55.52 1ds6 s TRP 56 Cb -0.12 -1.17 0.03 0.00 -1.15 0.00 0.00 33.47 31.05 1ds6 s TRP 56 CO 0.02 -0.47 0.83 0.34 0.02 0.00 0.00 176.95 177.69 1ds6 s ASP 57 N 1.62 5.38 0.01 2.95 -1.08 -1.26 -1.30 116.67 122.99 1ds6 s ASP 57 Ca 0.03 0.33 -0.03 0.00 -0.52 0.00 0.00 52.55 52.36 1ds6 s ASP 57 Cb -0.13 -1.27 -0.01 0.00 -1.46 0.00 0.00 42.92 40.05 1ds6 s ASP 57 CO -0.07 -1.12 0.04 0.42 0.52 0.00 0.00 175.17 174.96 1ds6 s THR 58 N -2.88 0.10 -0.43 1.71 -4.23 -1.23 -4.84 115.64 103.84 1ds6 s THR 58 Ca 0.55 -0.81 -0.24 0.00 -1.18 0.00 0.00 61.69 60.00 1ds6 s THR 58 Cb -0.10 -0.33 0.02 0.00 1.34 0.00 0.00 72.50 73.43 1ds6 s THR 58 CO 0.41 -0.45 0.86 0.00 -0.54 0.00 0.00 174.62 174.91 1ds6 s ALA 59 N -1.42 3.30 -0.39 3.99 0.00 -1.26 -4.93 121.76 121.05 1ds6 s ALA 59 Ca -0.15 -0.80 0.27 0.00 0.00 0.00 0.00 51.96 51.27 1ds6 s ALA 59 Cb -0.09 -3.53 0.93 0.00 0.00 0.00 0.00 23.12 20.43 1ds6 s ALA 59 CO 0.00 -1.88 1.78 0.78 0.00 0.00 0.00 175.76 176.44 1ds6 h GLY 60 N 10.26 0.00 -3.62 0.00 0.00 -1.92 -3.46 103.07 104.32 1ds6 h GLY 60 Ca -0.24 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.50 1ds6 h GLY 60 CO 0.98 0.00 -0.21 -1.06 0.00 0.00 0.00 176.54 176.25 1ds6 n GLN 61 N -2.61 0.78 0.18 4.80 3.00 -1.26 -4.72 117.38 117.56 1ds6 n GLN 61 Ca 0.03 0.29 0.04 0.00 -0.01 0.00 0.00 57.00 57.35 1ds6 n GLN 61 Cb 0.35 -1.74 0.44 0.00 0.00 0.00 0.00 30.24 29.29 1ds6 n GLN 61 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1ds6 h GLU 62 N 0.85 0.09 0.00 -1.09 4.81 -2.02 -2.38 114.58 114.83 1ds6 h GLU 62 Ca -0.43 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1ds6 h GLU 62 Cb 1.38 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 1ds6 h GLU 62 CO 0.52 0.28 -0.00 -0.44 -0.73 0.00 0.00 179.01 178.64 1ds6 h ASP 63 N 0.08 0.00 -0.40 1.04 5.19 -1.97 -1.73 116.42 118.63 1ds6 h ASP 63 Ca 0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1ds6 h ASP 63 Cb 0.40 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.91 1ds6 h ASP 63 CO 0.03 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.93 1ds6 n TYR 64 N -3.88 1.45 0.22 4.55 0.53 -0.90 -4.60 117.16 114.53 1ds6 n TYR 64 Ca -0.03 -0.82 0.17 0.00 -1.02 0.00 0.00 57.90 56.21 1ds6 n TYR 64 Cb 0.09 -0.40 0.85 0.00 -1.03 0.00 0.00 39.34 38.84 1ds6 n TYR 64 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 1ds6 h ASP 65 N 2.75 0.00 0.54 7.72 3.32 -1.37 -0.48 116.42 128.90 1ds6 h ASP 65 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1ds6 h ASP 65 Cb 1.69 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.19 1ds6 h ASP 65 CO 0.34 0.00 -1.64 -0.09 -1.72 0.00 0.00 179.24 176.13 1ds6 h ARG 66 N 0.00 0.00 0.10 3.56 9.65 -1.83 -3.40 114.38 122.45 1ds6 h ARG 66 Ca 0.08 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.64 1ds6 h ARG 66 Cb 0.49 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1ds6 h ARG 66 CO -0.00 0.49 -1.73 1.25 2.80 0.00 0.00 179.97 182.78 1ds6 h LEU 67 N 0.00 0.33 -0.78 3.80 5.85 -1.65 -3.41 115.31 119.45 1ds6 h LEU 67 Ca -0.26 -0.83 0.16 0.00 0.84 0.00 0.00 57.88 57.79 1ds6 h LEU 67 Cb 1.95 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 42.77 1ds6 h LEU 67 CO 0.08 1.74 0.29 -0.09 -0.34 0.00 0.00 178.44 180.11 1ds6 h ARG 68 N -0.23 0.38 0.00 1.25 2.43 -1.35 -1.74 114.38 115.11 1ds6 h ARG 68 Ca -0.39 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1ds6 h ARG 68 Cb 1.83 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 1ds6 h ARG 68 CO 0.02 0.25 0.00 -2.30 -1.51 0.00 0.00 179.97 176.43 1ds6 n PRO 69 N -5.05 0.01 0.21 0.20 -0.02 -1.26 -2.29 135.00 126.79 1ds6 n PRO 69 Ca 0.16 0.41 0.15 0.00 -2.02 0.00 0.00 63.50 62.20 1ds6 n PRO 69 Cb 0.48 -1.50 0.62 0.00 -0.02 0.00 0.00 33.50 33.08 1ds6 n PRO 69 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ds6 h LEU 70 N 0.00 0.00 -0.27 2.45 3.38 -1.58 -2.37 115.31 116.92 1ds6 h LEU 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ds6 h LEU 70 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ds6 h LEU 70 CO 0.00 0.00 -0.46 -1.54 0.09 0.00 0.00 178.44 176.53 1ds6 n SER 71 N -2.68 0.89 -0.14 -0.43 3.41 -0.97 -4.36 113.62 109.33 1ds6 n SER 71 Ca 0.01 -0.69 -0.10 0.00 -0.26 0.00 0.00 58.87 57.83 1ds6 n SER 71 Cb 0.25 0.31 0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1ds6 n SER 71 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1ds6 h TYR 72 N 0.67 1.07 -2.48 7.33 0.05 -1.60 -3.45 116.97 118.56 1ds6 h TYR 72 Ca 0.00 -0.24 -0.60 0.00 0.05 0.00 0.00 58.73 57.93 1ds6 h TYR 72 Cb 0.52 -0.26 0.09 0.00 1.01 0.00 0.00 36.73 38.10 1ds6 h TYR 72 CO 0.00 1.04 0.45 -2.30 -1.05 0.00 0.00 178.16 176.29 1ds6 n PRO 73 N -4.12 1.70 -1.20 4.88 -0.02 -1.26 -1.99 135.00 132.99 1ds6 n PRO 73 Ca 0.01 0.60 -0.07 0.00 -2.02 0.00 0.00 63.50 62.02 1ds6 n PRO 73 Cb 0.43 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1ds6 n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ds6 n GLN 74 N 1.69 -0.66 -2.67 -0.52 3.00 -1.26 -5.00 117.38 111.96 1ds6 n GLN 74 Ca 0.12 0.68 -0.42 0.00 -0.01 0.00 0.00 57.00 57.37 1ds6 n GLN 74 Cb 0.30 -4.50 -0.04 0.00 0.00 0.00 0.00 30.24 26.00 1ds6 n GLN 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1ds6 s THR 75 N -2.16 4.52 -0.07 5.09 2.01 -0.84 -4.69 115.64 119.49 1ds6 s THR 75 Ca 0.00 1.95 0.10 0.00 0.31 0.00 0.00 61.69 64.06 1ds6 s THR 75 Cb 0.00 -4.25 -0.24 0.00 0.01 0.00 0.00 72.50 68.03 1ds6 s THR 75 CO 0.00 0.23 0.56 0.47 -0.69 0.00 0.00 174.62 175.19 1ds6 n ASP 76 N 3.29 0.97 -3.68 3.53 8.00 -0.55 -4.90 116.55 123.21 1ds6 n ASP 76 Ca 0.04 0.34 -0.12 0.00 0.71 0.00 0.00 54.79 55.77 1ds6 n ASP 76 Cb 0.49 -0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.43 1ds6 n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ds6 s VAL 77 N -2.58 -0.01 -0.02 2.53 0.11 -0.99 -4.09 120.40 115.36 1ds6 s VAL 77 Ca -0.08 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 58.98 1ds6 s VAL 77 Cb 0.08 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1ds6 s VAL 77 CO 0.82 0.01 0.08 -0.36 -3.33 0.00 0.00 175.10 172.31 1ds6 s PHE 78 N 0.81 3.30 -0.31 1.54 0.40 -0.71 -2.13 117.98 120.89 1ds6 s PHE 78 Ca -0.04 0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 56.48 1ds6 s PHE 78 Cb -0.05 -1.75 0.05 0.00 0.51 0.00 0.00 43.02 41.77 1ds6 s PHE 78 CO -0.06 0.56 0.03 -0.51 0.70 0.00 0.00 175.22 175.93 1ds6 s LEU 79 N -1.65 3.99 -0.35 -0.37 1.43 0.12 -1.13 118.68 120.72 1ds6 s LEU 79 Ca 0.22 -1.22 -0.15 0.00 -1.03 0.00 0.00 54.13 51.95 1ds6 s LEU 79 Cb -0.12 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1ds6 s LEU 79 CO 0.13 -0.27 0.35 -0.63 0.23 0.00 0.00 176.35 176.16 1ds6 s ILE 80 N 1.30 5.18 0.04 -0.59 1.01 -0.20 -1.13 121.20 126.80 1ds6 s ILE 80 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1ds6 s ILE 80 Cb -0.20 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1ds6 s ILE 80 CO -0.00 -0.13 0.15 0.00 0.00 0.00 0.00 174.94 174.96 1ds6 s PHE 82 N -1.39 -0.24 -0.00 0.00 -0.71 -0.80 -4.22 117.98 110.62 1ds6 s PHE 82 Ca 0.30 0.46 -0.27 0.00 -1.04 0.00 0.00 56.93 56.38 1ds6 s PHE 82 Cb -0.13 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 1ds6 s PHE 82 CO 0.22 -0.32 0.86 0.45 -1.34 0.00 0.00 175.22 175.09 1ds6 s SER 83 N -0.86 7.25 0.25 1.98 0.15 -1.26 -0.73 113.70 120.48 1ds6 s SER 83 Ca -0.09 1.50 0.19 0.00 0.70 0.00 0.00 55.95 58.25 1ds6 s SER 83 Cb -0.04 -2.51 0.95 0.00 -1.71 0.00 0.00 66.02 62.71 1ds6 s SER 83 CO 0.03 -0.15 1.59 0.18 1.20 0.00 0.00 173.24 176.08 1ds6 n LEU 84 N 3.58 0.50 -0.86 3.45 4.77 0.38 -1.32 117.00 127.49 1ds6 n LEU 84 Ca 0.02 0.69 0.07 0.00 -0.03 0.00 0.00 56.01 56.76 1ds6 n LEU 84 Cb 0.51 -0.70 0.24 0.00 -2.33 0.00 0.00 43.42 41.14 1ds6 n LEU 84 CO 0.50 -0.75 0.70 1.33 -1.33 0.00 0.00 177.39 177.84 1ds6 n VAL 85 N -2.12 2.29 -3.53 4.08 0.24 -1.26 0.13 118.33 118.15 1ds6 n VAL 85 Ca 0.00 -2.01 -0.29 0.00 -2.04 0.00 0.00 64.34 60.00 1ds6 n VAL 85 Cb 0.09 -0.26 -0.13 0.00 -1.47 0.00 0.00 33.84 32.07 1ds6 n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ds6 s SER 86 N -2.08 3.27 0.50 -1.34 0.15 -0.43 -4.91 113.70 108.86 1ds6 s SER 86 Ca 0.42 -2.01 0.17 0.00 0.70 0.00 0.00 55.95 55.23 1ds6 s SER 86 Cb 0.35 -0.51 1.23 0.00 -1.71 0.00 0.00 66.02 65.38 1ds6 s SER 86 CO 0.07 -0.34 2.09 -0.65 1.20 0.00 0.00 173.24 175.61 1ds6 h PRO 87 N 7.36 0.10 -0.60 5.44 0.11 -1.83 -2.28 132.00 140.30 1ds6 h PRO 87 Ca -0.02 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 1ds6 h PRO 87 Cb 0.98 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 1ds6 h PRO 87 CO 0.35 0.06 0.10 0.00 -0.21 0.00 0.00 178.00 178.30 1ds6 h ALA 88 N 1.88 1.05 0.00 -0.75 0.00 -1.93 -0.96 119.26 118.54 1ds6 h ALA 88 Ca 0.11 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1ds6 h ALA 88 Cb 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ds6 h ALA 88 CO -0.01 0.61 -0.51 0.66 0.00 0.00 0.00 179.25 180.00 1ds6 h SER 89 N 0.91 0.00 -0.15 0.00 4.64 -1.76 -1.57 113.55 115.61 1ds6 h SER 89 Ca 0.19 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1ds6 h SER 89 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1ds6 h SER 89 CO 0.01 0.51 -0.04 0.22 -0.87 0.00 0.00 176.83 176.66 1ds6 h TYR 90 N 0.00 0.33 0.00 4.77 3.20 -1.04 -2.95 116.97 121.28 1ds6 h TYR 90 Ca -0.01 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.71 1ds6 h TYR 90 Cb 1.05 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 1ds6 h TYR 90 CO 0.00 0.58 -0.38 0.93 -1.64 0.00 0.00 178.16 177.65 1ds6 h GLU 91 N -0.01 0.00 0.00 1.82 4.39 -1.12 -2.52 114.58 117.13 1ds6 h GLU 91 Ca 0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1ds6 h GLU 91 Cb 0.47 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1ds6 h GLU 91 CO 0.02 0.38 -0.05 -0.91 -1.16 0.00 0.00 179.01 177.28 1ds6 h ASN 92 N 0.00 0.00 -0.25 1.42 2.35 -1.17 -0.34 115.58 117.59 1ds6 h ASN 92 Ca -0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1ds6 h ASN 92 Cb 0.87 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 1ds6 h ASN 92 CO 0.05 0.05 -0.27 0.58 -1.65 0.00 0.00 177.43 176.20 1ds6 h VAL 93 N 0.00 1.31 -0.20 2.81 2.07 -1.28 0.19 116.25 121.16 1ds6 h VAL 93 Ca -0.00 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 1ds6 h VAL 93 Cb 0.41 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1ds6 h VAL 93 CO 0.01 0.45 -0.02 -0.09 0.02 0.00 0.00 177.57 177.94 1ds6 h ARG 94 N 0.33 0.37 0.00 1.57 2.43 -1.38 -0.92 114.38 116.77 1ds6 h ARG 94 Ca 0.04 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 58.90 1ds6 h ARG 94 Cb 0.83 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 1ds6 h ARG 94 CO 0.07 0.59 -1.01 0.00 -1.51 0.00 0.00 179.97 178.11 1ds6 h ALA 95 N 0.76 0.58 0.00 2.80 0.00 -1.15 -3.42 119.26 118.84 1ds6 h ALA 95 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1ds6 h ALA 95 Cb 0.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ds6 h ALA 95 CO 0.01 1.00 0.00 1.17 0.00 0.00 0.00 179.25 181.44 1ds6 n LYS 96 N -3.17 0.00 0.07 0.00 4.81 0.55 -4.82 118.16 115.60 1ds6 n LYS 96 Ca -0.04 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.29 1ds6 n LYS 96 Cb 0.86 -0.25 -0.06 0.00 0.02 0.00 0.00 35.03 35.61 1ds6 n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1ds6 h TRP 97 N 0.00 -0.27 -0.23 5.64 4.06 -1.26 -0.68 115.95 123.21 1ds6 h TRP 97 Ca 0.00 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 1ds6 h TRP 97 Cb 0.00 0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1ds6 h TRP 97 CO 0.00 -0.16 0.10 0.35 -3.56 0.00 0.00 178.44 175.17 1ds6 h PHE 98 N -0.20 0.34 -0.94 0.49 3.57 -1.42 0.30 116.94 119.08 1ds6 h PHE 98 Ca 0.03 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1ds6 h PHE 98 Cb 0.23 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1ds6 h PHE 98 CO -0.15 0.35 0.62 -1.35 -2.23 0.00 0.00 178.31 175.56 1ds6 h PRO 99 N 0.23 1.21 -0.26 6.41 0.11 -1.73 -1.07 132.00 136.90 1ds6 h PRO 99 Ca 0.08 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1ds6 h PRO 99 Cb 0.15 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 1ds6 h PRO 99 CO -0.01 0.80 0.02 1.49 -0.21 0.00 0.00 178.00 180.10 1ds6 h GLU 100 N 1.25 0.44 -0.38 1.05 4.81 -0.89 -0.26 114.58 120.59 1ds6 h GLU 100 Ca 0.35 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1ds6 h GLU 100 Cb -0.11 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1ds6 h GLU 100 CO -0.09 0.58 -0.10 0.28 -0.73 0.00 0.00 179.01 178.95 1ds6 h VAL 101 N 0.23 1.25 -0.00 0.32 2.07 -0.76 -2.71 116.25 116.64 1ds6 h VAL 101 Ca 0.08 -1.09 -0.19 0.00 0.82 0.00 0.00 66.70 66.31 1ds6 h VAL 101 Cb 0.37 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1ds6 h VAL 101 CO 0.01 0.37 -0.85 0.03 0.02 0.00 0.00 177.57 177.15 1ds6 h ARG 102 N 0.61 0.18 -0.57 1.57 2.47 -1.15 -0.48 114.38 117.02 1ds6 h ARG 102 Ca 0.11 -0.19 -0.08 0.00 -1.26 0.00 0.00 59.98 58.55 1ds6 h ARG 102 Cb 0.54 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.89 1ds6 h ARG 102 CO 0.03 0.92 0.03 1.25 0.56 0.00 0.00 179.97 182.77 1ds6 h HIS 103 N 0.10 1.06 0.00 3.04 2.76 -0.90 -2.88 115.15 118.33 1ds6 h HIS 103 Ca -0.04 -0.17 -0.20 0.00 -2.20 0.00 0.00 60.37 57.76 1ds6 h HIS 103 Cb 1.46 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 30.11 1ds6 h HIS 103 CO 0.03 0.94 -1.20 0.45 -1.30 0.00 0.00 177.93 176.85 1ds6 h HIS 104 N 0.87 0.00 -2.16 5.26 3.86 -1.51 -3.43 115.15 118.04 1ds6 h HIS 104 Ca 0.16 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.87 1ds6 h HIS 104 Cb 0.50 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 28.62 1ds6 h HIS 104 CO 0.04 0.82 -0.87 0.00 0.86 0.00 0.00 177.93 178.78 1ds6 h PRO 106 N 5.87 0.00 -0.00 0.00 0.11 -1.71 -3.23 132.00 133.03 1ds6 h PRO 106 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1ds6 h PRO 106 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1ds6 h PRO 106 CO 0.29 0.00 -0.35 -1.13 -0.21 0.00 0.00 178.00 176.60 1ds6 n SER 107 N -4.03 0.69 -4.71 -2.05 3.41 -1.26 -5.01 113.62 100.65 1ds6 n SER 107 Ca 0.00 -0.84 -0.42 0.00 -0.26 0.00 0.00 58.87 57.35 1ds6 n SER 107 Cb 0.23 0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 1ds6 n SER 107 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ds6 s THR 108 N -1.68 3.77 0.44 6.66 -1.32 -1.22 -4.99 115.64 117.30 1ds6 s THR 108 Ca 0.05 1.26 -0.24 0.00 -1.21 0.00 0.00 61.69 61.54 1ds6 s THR 108 Cb 0.07 -3.81 -0.09 0.00 -1.51 0.00 0.00 72.50 67.16 1ds6 s THR 108 CO 0.33 0.09 1.18 -2.65 -2.21 0.00 0.00 174.62 171.36 1ds6 n PRO 109 N 4.06 1.68 -5.16 7.08 -0.02 -1.26 -4.84 135.00 136.55 1ds6 n PRO 109 Ca 0.10 0.60 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 1ds6 n PRO 109 Cb 0.45 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 1ds6 n PRO 109 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ds6 s ILE 110 N -1.24 1.88 -0.20 4.25 1.01 -1.26 -1.73 121.20 123.90 1ds6 s ILE 110 Ca 0.63 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 60.30 1ds6 s ILE 110 Cb -0.51 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.39 1ds6 s ILE 110 CO 0.56 0.53 -0.14 -0.63 0.00 0.00 0.00 174.94 175.26 1ds6 s ILE 111 N -0.23 2.49 -0.13 2.92 -1.09 -0.28 -0.72 121.20 124.16 1ds6 s ILE 111 Ca -0.00 -0.89 -0.25 0.00 -2.23 0.00 0.00 60.65 57.28 1ds6 s ILE 111 Cb -0.12 -2.13 -0.02 0.00 -1.58 0.00 0.00 42.46 38.61 1ds6 s ILE 111 CO 0.02 0.43 0.78 -0.22 -1.23 0.00 0.00 174.94 174.72 1ds6 s LEU 112 N 1.33 4.23 -0.14 2.97 2.96 -0.65 -1.03 118.68 128.34 1ds6 s LEU 112 Ca 0.04 1.18 0.02 0.00 -0.22 0.00 0.00 54.13 55.14 1ds6 s LEU 112 Cb -0.14 -3.17 0.01 0.00 0.50 0.00 0.00 46.19 43.39 1ds6 s LEU 112 CO -0.09 -0.29 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.76 1ds6 s VAL 113 N 1.63 1.97 -0.32 1.68 1.01 -0.37 -1.31 120.40 124.68 1ds6 s VAL 113 Ca 0.38 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 1ds6 s VAL 113 Cb -0.17 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1ds6 s VAL 113 CO 0.15 0.53 0.44 -0.83 0.00 0.00 0.00 175.10 175.40 1ds6 s GLY 114 N 0.92 1.86 0.43 4.51 0.00 0.83 -1.91 107.32 113.95 1ds6 s GLY 114 Ca -0.05 -0.99 0.05 0.00 0.00 0.00 0.00 44.72 43.73 1ds6 s GLY 114 CO -0.04 1.13 0.60 -0.51 0.00 0.00 0.00 173.10 174.29 1ds6 s THR 115 N 2.22 3.34 -1.32 0.90 -4.23 0.10 -0.92 115.64 115.72 1ds6 s THR 115 Ca 0.16 -0.87 -0.06 0.00 -1.18 0.00 0.00 61.69 59.75 1ds6 s THR 115 Cb -0.16 -3.17 0.01 0.00 1.34 0.00 0.00 72.50 70.53 1ds6 s THR 115 CO 0.12 -0.08 1.06 0.29 -0.54 0.00 0.00 174.62 175.47 1ds6 n LYS 116 N -1.93 -7.01 0.26 3.99 5.02 -1.06 -0.47 118.16 116.96 1ds6 n LYS 116 Ca 0.05 0.79 0.09 0.00 -2.02 0.00 0.00 58.31 57.22 1ds6 n LYS 116 Cb 0.59 -5.78 0.67 0.00 -0.02 0.00 0.00 35.03 30.49 1ds6 n LYS 116 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ds6 h LEU 117 N -2.30 0.00 -1.94 -0.35 5.85 -1.61 -1.86 115.31 113.11 1ds6 h LEU 117 Ca -0.58 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 1ds6 h LEU 117 Cb 1.36 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 1ds6 h LEU 117 CO 0.55 0.01 -0.06 -2.24 -0.34 0.00 0.00 178.44 176.36 1ds6 h ASP 118 N 0.00 0.00 0.47 1.25 2.03 -1.90 -2.87 116.42 115.40 1ds6 h ASP 118 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ds6 h ASP 118 Cb 0.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 1ds6 h ASP 118 CO 0.00 0.06 -0.54 0.18 -1.03 0.00 0.00 179.24 177.91 1ds6 n LEU 119 N -3.31 0.54 0.06 0.15 4.77 -0.70 -4.13 117.00 114.38 1ds6 n LEU 119 Ca -0.01 -0.03 0.01 0.00 -0.03 0.00 0.00 56.01 55.95 1ds6 n LEU 119 Cb 0.24 -0.23 0.35 0.00 -2.33 0.00 0.00 43.42 41.45 1ds6 n LEU 119 CO 0.27 0.13 0.93 -0.09 -1.33 0.00 0.00 177.39 177.30 1ds6 h ARG 120 N 0.00 0.39 -0.01 3.23 2.43 -1.57 -2.37 114.38 116.47 1ds6 h ARG 120 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1ds6 h ARG 120 Cb 0.51 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1ds6 h ARG 120 CO 0.00 0.46 -0.23 -0.25 -1.51 0.00 0.00 179.97 178.44 1ds6 n ASP 121 N -4.29 1.67 -4.65 -3.80 8.00 -1.26 -4.85 116.55 107.37 1ds6 n ASP 121 Ca 0.00 -1.34 -0.43 0.00 0.71 0.00 0.00 54.79 53.74 1ds6 n ASP 121 Cb 0.24 0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 1ds6 n ASP 121 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ds6 s ASP 122 N -2.32 6.58 0.13 -2.24 2.15 -0.89 -4.92 116.67 115.15 1ds6 s ASP 122 Ca 0.26 2.01 -0.20 0.00 0.43 0.00 0.00 52.55 55.05 1ds6 s ASP 122 Cb 0.19 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.26 1ds6 s ASP 122 CO 0.47 -1.03 1.70 0.11 -0.17 0.00 0.00 175.17 176.25 1ds6 h LYS 123 N 9.91 0.00 -0.67 4.34 1.57 -1.91 -0.12 116.57 129.68 1ds6 h LYS 123 Ca -0.37 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 1ds6 h LYS 123 Cb 1.17 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 1ds6 h LYS 123 CO 0.97 0.00 0.30 -0.44 -0.57 0.00 0.00 179.45 179.71 1ds6 h ASP 124 N 0.00 0.90 -0.43 0.86 3.45 -1.96 -0.64 116.42 118.59 1ds6 h ASP 124 Ca 0.10 -0.15 -0.02 0.00 0.43 0.00 0.00 57.03 57.39 1ds6 h ASP 124 Cb 0.16 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 1ds6 h ASP 124 CO -0.22 0.80 0.20 0.74 -1.57 0.00 0.00 179.24 179.19 1ds6 h THR 125 N 0.94 1.19 -0.48 0.35 2.02 -1.81 -1.32 112.91 113.80 1ds6 h THR 125 Ca 0.23 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1ds6 h THR 125 Cb 0.16 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1ds6 h THR 125 CO -0.02 0.21 0.27 0.40 0.37 0.00 0.00 175.52 176.74 1ds6 h ILE 126 N 0.56 1.17 -0.66 3.11 2.04 -0.76 -2.32 117.51 120.65 1ds6 h ILE 126 Ca 0.15 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1ds6 h ILE 126 Cb 0.14 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1ds6 h ILE 126 CO -0.02 0.18 0.15 -0.08 0.00 0.00 0.00 178.15 178.38 1ds6 h GLU 127 N 0.64 1.04 -0.79 2.37 4.81 -0.94 -1.22 114.58 120.48 1ds6 h GLU 127 Ca 0.17 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1ds6 h GLU 127 Cb 0.05 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1ds6 h GLU 127 CO -0.03 0.93 0.32 0.87 -0.73 0.00 0.00 179.01 180.36 1ds6 h LYS 128 N 0.99 1.18 -0.39 1.92 6.56 -1.01 -1.74 116.57 124.08 1ds6 h LYS 128 Ca 0.21 -0.22 -0.11 0.00 -1.06 0.00 0.00 60.65 59.47 1ds6 h LYS 128 Cb 0.36 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 1ds6 h LYS 128 CO 0.00 0.96 -0.20 -0.07 -2.06 0.00 0.00 179.45 178.08 1ds6 h LEU 129 N 1.15 0.86 -2.06 2.94 3.38 -1.16 -2.86 115.31 117.56 1ds6 h LEU 129 Ca 0.26 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1ds6 h LEU 129 Cb 0.22 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ds6 h LEU 129 CO -0.02 1.07 -0.09 0.50 0.09 0.00 0.00 178.44 180.00 1ds6 h LYS 130 N 0.64 0.00 -0.24 1.13 3.64 -0.87 0.23 116.57 121.10 1ds6 h LYS 130 Ca 0.09 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1ds6 h LYS 130 Cb 0.76 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1ds6 h LYS 130 CO 0.06 0.09 -0.34 0.93 -2.27 0.00 0.00 179.45 177.92 1ds6 h GLU 131 N 0.00 0.52 -0.52 1.90 5.08 -1.08 -2.56 114.58 117.91 1ds6 h GLU 131 Ca -0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1ds6 h GLU 131 Cb 0.24 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ds6 h GLU 131 CO 0.01 0.79 0.00 1.63 -1.00 0.00 0.00 179.01 180.44 1ds6 n LYS 132 N -4.06 2.28 -3.31 2.33 5.02 -0.69 -4.92 118.16 114.81 1ds6 n LYS 132 Ca -0.01 -1.83 -0.18 0.00 -2.02 0.00 0.00 58.31 54.27 1ds6 n LYS 132 Cb 0.47 -1.44 0.06 0.00 -0.02 0.00 0.00 35.03 34.10 1ds6 n LYS 132 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ds6 n LYS 133 N 0.93 -5.98 -4.39 1.97 5.02 -0.93 -5.03 118.16 109.75 1ds6 n LYS 133 Ca 0.17 0.63 -0.20 0.00 -2.02 0.00 0.00 58.31 56.89 1ds6 n LYS 133 Cb 0.46 -5.06 -0.10 0.00 -0.02 0.00 0.00 35.03 30.31 1ds6 n LYS 133 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ds6 s LEU 134 N -5.74 2.53 0.06 -0.35 1.02 0.73 -4.98 118.68 111.96 1ds6 s LEU 134 Ca 0.41 -1.08 -0.05 0.00 0.02 0.00 0.00 54.13 53.43 1ds6 s LEU 134 Cb -0.18 -0.70 -0.02 0.00 0.02 0.00 0.00 46.19 45.31 1ds6 s LEU 134 CO 0.55 -0.21 0.09 0.00 0.02 0.00 0.00 176.35 176.80 1ds6 s ALA 135 N -2.94 0.04 0.81 4.21 0.00 -1.26 -2.41 121.76 120.21 1ds6 s ALA 135 Ca 0.26 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 1ds6 s ALA 135 Cb 0.00 0.33 0.08 0.00 0.00 0.00 0.00 23.12 23.54 1ds6 s ALA 135 CO 0.09 -0.39 1.12 -2.14 0.00 0.00 0.00 175.76 174.44 1ds6 s PRO 136 N -3.37 1.85 -0.18 0.00 0.02 -1.26 -4.66 135.00 127.40 1ds6 s PRO 136 Ca 0.01 1.35 -0.29 0.00 0.02 0.00 0.00 61.00 62.10 1ds6 s PRO 136 Cb 0.03 -1.84 -0.00 0.00 0.02 0.00 0.00 34.50 32.71 1ds6 s PRO 136 CO -0.08 -1.98 1.08 0.42 -0.33 0.00 0.00 177.00 176.11 1ds6 s ILE 137 N -2.72 4.61 0.74 2.83 -1.09 0.12 -5.01 121.20 120.67 1ds6 s ILE 137 Ca 0.64 1.92 -0.09 0.00 -2.23 0.00 0.00 60.65 60.90 1ds6 s ILE 137 Cb -0.20 -4.24 0.06 0.00 -1.58 0.00 0.00 42.46 36.50 1ds6 s ILE 137 CO 0.55 -0.12 1.07 0.42 -1.23 0.00 0.00 174.94 175.63 1ds6 s THR 138 N 2.93 2.25 0.16 2.92 -4.23 -1.26 -4.88 115.64 113.52 1ds6 s THR 138 Ca 0.47 -0.14 -0.16 0.00 -1.18 0.00 0.00 61.69 60.69 1ds6 s THR 138 Cb -0.17 -3.03 0.02 0.00 1.34 0.00 0.00 72.50 70.66 1ds6 s THR 138 CO 0.11 -0.03 1.80 0.22 -0.54 0.00 0.00 174.62 176.18 1ds6 h TYR 139 N -0.76 0.46 -0.53 3.99 5.03 -1.99 -1.46 116.97 121.71 1ds6 h TYR 139 Ca -0.45 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 60.87 1ds6 h TYR 139 Cb 1.32 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 39.42 1ds6 h TYR 139 CO 0.34 0.27 0.31 -1.35 -1.32 0.00 0.00 178.16 176.40 1ds6 h PRO 140 N 0.49 0.71 -0.40 1.82 0.11 -1.98 0.07 132.00 132.83 1ds6 h PRO 140 Ca 0.16 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.08 1ds6 h PRO 140 Cb 0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1ds6 h PRO 140 CO -0.07 0.51 -0.28 1.96 -0.21 0.00 0.00 178.00 179.90 1ds6 h GLN 141 N 0.72 0.90 -0.28 1.05 4.20 -1.81 -1.24 115.11 118.66 1ds6 h GLN 141 Ca 0.19 -0.43 -0.08 0.00 0.06 0.00 0.00 58.65 58.38 1ds6 h GLN 141 Cb -0.01 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1ds6 h GLN 141 CO -0.03 1.08 -0.16 0.78 -0.67 0.00 0.00 178.83 179.83 1ds6 h GLY 142 N 0.71 0.65 1.93 3.46 0.00 -0.94 -2.45 103.07 106.44 1ds6 h GLY 142 Ca 0.08 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1ds6 h GLY 142 CO 0.08 0.54 -0.12 -2.00 0.00 0.00 0.00 176.54 175.04 1ds6 h LEU 143 N 0.33 0.08 -0.49 3.11 5.85 -0.98 -1.71 115.31 121.51 1ds6 h LEU 143 Ca 0.06 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1ds6 h LEU 143 Cb 0.68 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1ds6 h LEU 143 CO 0.05 0.21 -0.38 0.00 -0.34 0.00 0.00 178.44 177.98 1ds6 h ALA 144 N 1.80 0.67 -0.32 1.25 0.00 -1.01 -2.57 119.26 119.08 1ds6 h ALA 144 Ca 0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1ds6 h ALA 144 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ds6 h ALA 144 CO 0.02 0.67 -0.27 1.25 0.00 0.00 0.00 179.25 180.92 1ds6 h LEU 145 N 0.68 0.65 -0.91 0.00 5.85 -0.89 -2.45 115.31 118.24 1ds6 h LEU 145 Ca 0.06 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 1ds6 h LEU 145 Cb 0.94 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1ds6 h LEU 145 CO 0.09 0.89 0.34 0.00 -0.34 0.00 0.00 178.44 179.42 1ds6 h ALA 146 N 1.16 1.14 -0.31 1.25 0.00 -1.18 -2.12 119.26 119.19 1ds6 h ALA 146 Ca 0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1ds6 h ALA 146 Cb 0.74 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ds6 h ALA 146 CO 0.06 0.63 -0.08 -0.22 0.00 0.00 0.00 179.25 179.65 1ds6 h LYS 147 N 1.11 0.59 -0.05 0.00 3.64 -1.30 -0.64 116.57 119.92 1ds6 h LYS 147 Ca 0.26 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ds6 h LYS 147 Cb 0.16 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ds6 h LYS 147 CO -0.03 0.78 0.02 0.93 -2.27 0.00 0.00 179.45 178.88 1ds6 h GLU 148 N 0.37 0.07 -0.44 1.90 5.08 -1.06 -1.49 114.58 119.00 1ds6 h GLU 148 Ca 0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1ds6 h GLU 148 Cb 0.56 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1ds6 h GLU 148 CO 0.03 0.06 0.00 0.44 -1.00 0.00 0.00 179.01 178.54 1ds6 n ILE 149 N -4.51 0.62 -3.85 3.13 -5.35 -0.83 -4.98 119.36 103.59 1ds6 n ILE 149 Ca -0.02 -0.81 -0.27 0.00 -0.27 0.00 0.00 62.75 61.37 1ds6 n ILE 149 Cb 0.10 0.86 0.03 0.00 -1.74 0.00 0.00 39.64 38.89 1ds6 n ILE 149 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1ds6 n ASP 150 N 1.41 -3.62 -4.79 7.28 8.00 -0.56 -4.95 116.55 119.32 1ds6 n ASP 150 Ca 0.19 -0.80 -0.33 0.00 0.71 0.00 0.00 54.79 54.57 1ds6 n ASP 150 Cb 0.58 -3.92 0.03 0.00 -0.02 0.00 0.00 41.12 37.79 1ds6 n ASP 150 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ds6 s SER 151 N -3.65 5.42 0.31 -2.24 1.04 -0.33 -4.84 113.70 109.41 1ds6 s SER 151 Ca 0.45 1.90 0.15 0.00 0.48 0.00 0.00 55.95 58.93 1ds6 s SER 151 Cb -0.22 -2.54 0.40 0.00 0.10 0.00 0.00 66.02 63.75 1ds6 s SER 151 CO 0.83 -1.42 1.60 0.58 0.98 0.00 0.00 173.24 175.81 1ds6 h VAL 152 N 0.17 1.05 -1.96 5.02 2.07 -1.26 -3.47 116.25 117.87 1ds6 h VAL 152 Ca -0.47 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.05 1ds6 h VAL 152 Cb 1.23 2.17 -0.21 0.00 -1.52 0.00 0.00 31.29 32.97 1ds6 h VAL 152 CO 0.56 0.50 0.19 -0.75 0.02 0.00 0.00 177.57 178.08 1ds6 s LYS 153 N -3.36 0.90 -0.17 1.57 2.47 -1.25 -5.07 119.74 114.83 1ds6 s LYS 153 Ca 0.01 0.63 -0.02 0.00 -1.56 0.00 0.00 55.97 55.03 1ds6 s LYS 153 Cb 0.10 0.43 -0.01 0.00 -1.46 0.00 0.00 37.83 36.90 1ds6 s LYS 153 CO 0.72 -0.20 -0.10 -0.47 0.16 0.00 0.00 175.35 175.47 1ds6 s TYR 154 N -0.35 2.88 0.03 4.03 5.04 -1.26 -1.64 117.35 126.08 1ds6 s TYR 154 Ca -0.04 -0.86 0.02 0.00 -2.44 0.00 0.00 57.07 53.75 1ds6 s TYR 154 Cb -0.03 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.30 1ds6 s TYR 154 CO 0.04 -0.40 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.27 1ds6 s LEU 155 N 0.91 2.21 -0.04 6.97 1.43 -0.43 -5.01 118.68 124.73 1ds6 s LEU 155 Ca -0.02 -0.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1ds6 s LEU 155 Cb -0.15 -0.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.89 1ds6 s LEU 155 CO -0.00 -0.16 -0.23 -1.61 0.23 0.00 0.00 176.35 174.58 1ds6 s GLU 156 N -1.32 2.11 0.28 1.70 2.02 -1.26 -0.12 118.70 122.11 1ds6 s GLU 156 Ca -0.08 -0.82 -0.08 0.00 0.02 0.00 0.00 54.97 54.01 1ds6 s GLU 156 Cb -0.09 -1.90 -0.01 0.00 0.10 0.00 0.00 34.13 32.23 1ds6 s GLU 156 CO 0.00 0.42 0.44 0.00 0.02 0.00 0.00 175.26 176.14 1ds6 s SER 158 N -3.11 1.51 0.27 0.00 0.15 -0.62 -1.80 113.70 110.09 1ds6 s SER 158 Ca 0.27 -0.08 0.11 0.00 0.70 0.00 0.00 55.95 56.96 1ds6 s SER 158 Cb 0.00 -0.32 0.31 0.00 -1.71 0.00 0.00 66.02 64.31 1ds6 s SER 158 CO 0.13 -0.23 1.58 0.00 1.20 0.00 0.00 173.24 175.92 1ds6 h ALA 159 N 8.37 0.89 -0.11 5.45 0.00 -1.91 0.20 119.26 132.15 1ds6 h ALA 159 Ca -0.16 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 1ds6 h ALA 159 Cb 1.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ds6 h ALA 159 CO 0.22 0.79 0.00 1.25 0.00 0.00 0.00 179.25 181.52 1ds6 h LEU 160 N 0.00 0.19 0.00 0.00 6.46 -1.95 -3.29 115.31 116.72 1ds6 h LEU 160 Ca -0.01 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 1ds6 h LEU 160 Cb 1.17 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 1ds6 h LEU 160 CO 0.08 0.44 -1.64 0.35 -0.62 0.00 0.00 178.44 177.06 1ds6 n THR 161 N -4.81 0.11 -1.00 1.05 -2.24 -1.25 -4.82 114.28 101.32 1ds6 n THR 161 Ca -0.06 -0.42 -0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1ds6 n THR 161 Cb 0.20 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1ds6 n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ds6 n GLN 162 N -2.20 -0.11 -1.94 -0.78 6.02 0.67 -5.01 117.38 114.04 1ds6 n GLN 162 Ca -0.02 0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 1ds6 n GLN 162 Cb 0.53 -3.26 -0.03 0.00 1.02 0.00 0.00 30.24 28.50 1ds6 n GLN 162 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1ds6 s ARG 163 N -0.41 4.20 0.00 -1.09 3.52 -1.11 -2.31 118.95 121.75 1ds6 s ARG 163 Ca 0.00 2.31 0.00 0.00 -0.13 0.00 0.00 55.73 57.91 1ds6 s ARG 163 Cb 0.00 -3.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1ds6 s ARG 163 CO 0.00 -0.75 0.00 0.41 -0.81 0.00 0.00 175.30 174.15 1ds6 n GLY 164 N 4.02 0.20 0.07 8.12 0.00 -1.26 -1.59 105.19 114.75 1ds6 n GLY 164 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1ds6 n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ds6 h LEU 165 N 0.00 -0.05 -1.60 0.99 5.85 -1.71 -3.08 115.31 115.70 1ds6 h LEU 165 Ca 0.00 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1ds6 h LEU 165 Cb 0.39 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1ds6 h LEU 165 CO 0.00 0.18 0.18 0.50 -0.34 0.00 0.00 178.44 178.97 1ds6 h LYS 166 N -0.29 0.45 -0.24 1.25 3.64 -1.90 -2.16 116.57 117.31 1ds6 h LYS 166 Ca -0.01 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1ds6 h LYS 166 Cb 0.27 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1ds6 h LYS 166 CO 0.01 0.33 0.05 1.15 -2.27 0.00 0.00 179.45 178.72 1ds6 h THR 167 N 0.46 1.12 -0.55 1.00 2.02 -1.93 -2.39 112.91 112.65 1ds6 h THR 167 Ca 0.12 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1ds6 h THR 167 Cb 0.01 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1ds6 h THR 167 CO -0.02 0.16 0.29 0.58 0.37 0.00 0.00 175.52 176.90 1ds6 h VAL 168 N 0.34 1.19 0.00 3.16 2.07 -1.32 -1.37 116.25 120.31 1ds6 h VAL 168 Ca 0.08 -0.48 -0.14 0.00 0.82 0.00 0.00 66.70 66.98 1ds6 h VAL 168 Cb 0.15 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1ds6 h VAL 168 CO -0.00 0.20 -0.66 -0.26 0.02 0.00 0.00 177.57 176.87 1ds6 h PHE 169 N 0.73 0.00 -0.28 1.57 0.04 -1.57 -2.42 116.94 115.02 1ds6 h PHE 169 Ca 0.19 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.80 1ds6 h PHE 169 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1ds6 h PHE 169 CO -0.01 0.66 -0.48 -0.44 -0.60 0.00 0.00 178.31 177.44 1ds6 h ASP 170 N 0.00 0.81 0.50 2.17 3.32 -1.28 -2.80 116.42 119.15 1ds6 h ASP 170 Ca -0.01 -0.40 -0.14 0.00 0.02 0.00 0.00 57.03 56.50 1ds6 h ASP 170 Cb 1.40 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1ds6 h ASP 170 CO 0.09 1.16 -0.61 -0.33 -1.72 0.00 0.00 179.24 177.83 1ds6 h GLU 171 N 0.59 0.10 -0.89 3.56 4.39 -1.23 -1.49 114.58 119.61 1ds6 h GLU 171 Ca 0.03 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1ds6 h GLU 171 Cb 1.05 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.66 1ds6 h GLU 171 CO 0.10 0.68 0.52 0.00 -1.16 0.00 0.00 179.01 179.15 1ds6 h ALA 172 N 1.31 1.24 -0.09 3.43 0.00 -1.28 -0.62 119.26 123.24 1ds6 h ALA 172 Ca -0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1ds6 h ALA 172 Cb 1.09 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ds6 h ALA 172 CO 0.09 0.64 -0.31 0.82 0.00 0.00 0.00 179.25 180.49 1ds6 h ILE 173 N 1.24 1.40 0.00 0.00 2.04 -1.32 -3.10 117.51 117.77 1ds6 h ILE 173 Ca 0.32 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 1ds6 h ILE 173 Cb -0.03 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1ds6 h ILE 173 CO -0.06 0.48 -0.09 0.03 0.00 0.00 0.00 178.15 178.52 1ds6 h ARG 174 N -0.08 0.00 0.00 2.37 3.08 -1.02 -0.35 114.38 118.39 1ds6 h ARG 174 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1ds6 h ARG 174 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1ds6 h ARG 174 CO 0.07 0.09 -0.21 0.00 -1.07 0.00 0.00 179.97 178.84 1ds6 h ALA 175 N 1.91 1.16 0.04 0.04 0.00 -1.04 -0.88 119.26 120.50 1ds6 h ALA 175 Ca -0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 54.35 1ds6 h ALA 175 Cb 0.26 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1ds6 h ALA 175 CO 0.01 0.26 -2.09 0.28 0.00 0.00 0.00 179.25 177.72 1ds6 n VAL 176 N -3.57 1.61 0.22 0.00 0.31 -0.43 -3.79 118.33 112.67 1ds6 n VAL 176 Ca -0.01 -0.46 0.10 0.00 -0.01 0.00 0.00 64.34 63.97 1ds6 n VAL 176 Cb 0.35 -1.74 0.38 0.00 -0.91 0.00 0.00 33.84 31.93 1ds6 n VAL 176 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ds6 h LEU 177 N -0.36 0.00 -5.94 7.52 3.38 -1.14 -3.33 115.31 115.43 1ds6 h LEU 177 Ca -0.51 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.92 1ds6 h LEU 177 Cb 1.77 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.12 1ds6 h LEU 177 CO -0.12 0.19 -1.01 0.00 0.09 0.00 0.00 178.44 177.60 1ds6 n PRO 179 N 0.75 1.50 -3.15 0.00 -0.04 -1.25 -4.72 135.00 128.09 1ds6 n PRO 179 Ca 0.25 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.76 1ds6 n PRO 179 Cb 0.54 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.98 1ds6 n PRO 179 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1ds6 s GLN 180 N 0.00 0.19 0.00 0.54 -0.44 -1.26 -5.08 119.66 113.60 1ds6 s GLN 180 Ca 0.00 0.32 0.27 0.00 -2.50 0.00 0.00 55.36 53.45 1ds6 s GLN 180 Cb 0.00 0.18 1.59 0.00 -1.64 0.00 0.00 33.01 33.13 1ds6 s GLN 180 CO 0.00 -0.21 1.94 -0.35 0.50 0.00 0.00 175.29 177.17