#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dp1 s GLN 11 N 0.00 1.75 -0.01 -1.46 0.74 -1.26 -3.36 119.66 116.06 3dp1 s GLN 11 Ca 0.00 -1.03 0.02 0.00 0.05 0.00 0.00 55.36 54.39 3dp1 s GLN 11 Cb 0.00 -1.88 -0.00 0.00 1.10 0.00 0.00 33.01 32.23 3dp1 s GLN 11 CO 0.00 0.49 -0.06 -0.06 -0.55 0.00 0.00 175.29 175.11 3dp1 s PHE 12 N -0.76 0.58 0.48 1.67 0.40 -0.54 -4.98 117.98 114.83 3dp1 s PHE 12 Ca 0.10 -0.12 0.09 0.00 -0.60 0.00 0.00 56.93 56.41 3dp1 s PHE 12 Cb -0.10 -0.40 0.04 0.00 0.51 0.00 0.00 43.02 43.07 3dp1 s PHE 12 CO 0.01 -0.04 0.65 -0.06 0.70 0.00 0.00 175.22 176.49 3dp1 s PHE 13 N 0.03 2.28 0.42 0.36 0.40 -1.26 0.10 117.98 120.31 3dp1 s PHE 13 Ca 0.00 -0.52 0.20 0.00 -0.60 0.00 0.00 56.93 56.00 3dp1 s PHE 13 Cb -0.04 -2.31 1.13 0.00 0.51 0.00 0.00 43.02 42.31 3dp1 s PHE 13 CO -0.00 -0.69 1.80 0.97 0.70 0.00 0.00 175.22 178.00 3dp1 h ILE 14 N 0.47 0.57 -0.22 0.64 6.09 -1.91 0.41 117.51 123.57 3dp1 h ILE 14 Ca -0.36 -0.13 -0.04 0.00 -1.37 0.00 0.00 64.86 62.96 3dp1 h ILE 14 Cb 1.28 0.17 -0.01 0.00 0.47 0.00 0.00 36.82 38.73 3dp1 h ILE 14 CO 0.44 0.07 -0.05 1.05 -3.07 0.00 0.00 178.15 176.58 3dp1 h GLU 15 N 0.37 0.33 0.09 2.19 4.11 -1.94 -0.78 114.58 118.95 3dp1 h GLU 15 Ca 0.55 -0.07 -0.16 0.00 0.07 0.00 0.00 59.36 59.75 3dp1 h GLU 15 Cb 1.45 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.66 3dp1 h GLU 15 CO -0.23 0.40 -0.69 0.45 0.07 0.00 0.00 179.01 179.02 3dp1 h HIS 16 N 0.32 0.52 -0.54 2.06 3.86 -0.62 -3.24 115.15 117.51 3dp1 h HIS 16 Ca 0.07 -0.35 0.03 0.00 -1.16 0.00 0.00 60.37 58.97 3dp1 h HIS 16 Cb 0.30 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 3dp1 h HIS 16 CO 0.01 1.23 0.31 0.82 0.86 0.00 0.00 177.93 181.16 3dp1 h ILE 17 N -0.34 1.03 -0.37 2.45 2.04 -0.84 -1.29 117.51 120.18 3dp1 h ILE 17 Ca -0.11 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.63 3dp1 h ILE 17 Cb 1.49 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3dp1 h ILE 17 CO 0.13 0.11 0.26 -0.07 0.00 0.00 0.00 178.15 178.58 3dp1 h LEU 18 N 0.61 0.07 -0.07 1.44 3.38 -1.26 0.34 115.31 119.81 3dp1 h LEU 18 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3dp1 h LEU 18 Cb 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3dp1 h LEU 18 CO -0.12 0.04 0.00 1.56 0.09 0.00 0.00 178.44 180.02 3dp1 h GLN 19 N 0.08 0.00 0.00 1.13 4.20 -1.27 -3.39 115.11 115.86 3dp1 h GLN 19 Ca 0.18 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.58 3dp1 h GLN 19 Cb 0.60 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.33 3dp1 h GLN 19 CO -0.01 0.00 -2.00 -0.89 -0.67 0.00 0.00 178.83 175.26 3dp1 n ILE 20 N -2.82 1.15 -2.95 2.54 2.08 -0.30 -4.43 119.36 114.62 3dp1 n ILE 20 Ca 0.04 -0.23 -0.37 0.00 0.56 0.00 0.00 62.75 62.75 3dp1 n ILE 20 Cb 0.48 -1.82 -0.06 0.00 -0.75 0.00 0.00 39.64 37.50 3dp1 n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3dp1 s LEU 21 N -7.16 4.35 0.20 1.39 1.43 -0.04 -4.77 118.68 114.06 3dp1 s LEU 21 Ca -0.28 1.61 0.26 0.00 -1.03 0.00 0.00 54.13 54.69 3dp1 s LEU 21 Cb 0.10 -3.77 0.68 0.00 0.03 0.00 0.00 46.19 43.23 3dp1 s LEU 21 CO 0.35 -0.01 1.66 -0.81 0.23 0.00 0.00 176.35 177.78 3dp1 n PRO 22 N 0.67 0.28 -1.96 1.29 -0.04 -1.26 -4.71 135.00 129.26 3dp1 n PRO 22 Ca -0.00 0.19 -0.40 0.00 -0.04 0.00 0.00 63.50 63.25 3dp1 n PRO 22 Cb 0.51 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 3dp1 n PRO 22 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3dp1 s HIS 23 N -3.12 2.71 0.34 0.54 3.76 -1.26 -5.03 115.29 113.23 3dp1 s HIS 23 Ca 0.09 1.35 0.05 0.00 -0.15 0.00 0.00 55.06 56.40 3dp1 s HIS 23 Cb 0.12 -3.77 -0.03 0.00 1.11 0.00 0.00 32.58 30.02 3dp1 s HIS 23 CO 0.63 -2.39 0.19 1.03 -0.85 0.00 0.00 174.74 173.36 3dp1 s ARG 24 N -2.27 1.75 0.37 1.40 1.81 -1.26 -4.65 118.95 116.10 3dp1 s ARG 24 Ca 0.57 -2.03 -0.28 0.00 -1.72 0.00 0.00 55.73 52.28 3dp1 s ARG 24 Cb -0.40 -0.08 -0.11 0.00 -0.45 0.00 0.00 34.95 33.91 3dp1 s ARG 24 CO 0.52 -0.54 1.51 -0.47 -0.68 0.00 0.00 175.30 175.65 3dp1 s TYR 25 N -3.44 2.57 -0.77 -0.53 6.14 -1.26 0.60 117.35 120.65 3dp1 s TYR 25 Ca 0.34 1.11 -0.02 0.00 0.64 0.00 0.00 57.07 59.15 3dp1 s TYR 25 Cb 0.03 -4.05 0.39 0.00 0.42 0.00 0.00 41.96 38.75 3dp1 s TYR 25 CO 0.20 -3.13 2.01 -0.35 0.64 0.00 0.00 175.55 174.92 3dp1 n PRO 26 N 0.59 2.75 -0.16 4.97 -0.04 -1.26 -4.93 135.00 136.92 3dp1 n PRO 26 Ca 0.02 -3.46 0.02 0.00 -0.04 0.00 0.00 63.50 60.04 3dp1 n PRO 26 Cb 0.39 -2.28 0.03 0.00 -0.04 0.00 0.00 33.50 31.60 3dp1 n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3dp1 n MET 27 N -0.68 0.92 -3.35 0.54 2.81 0.20 -4.94 117.12 112.62 3dp1 n MET 27 Ca 0.57 -1.32 -0.45 0.00 -1.81 0.00 0.00 57.70 54.69 3dp1 n MET 27 Cb 0.40 -0.83 -0.07 0.00 -0.71 0.00 0.00 33.22 32.01 3dp1 n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3dp1 s LEU 28 N -0.85 5.74 -0.39 4.03 2.96 -1.00 -4.61 118.68 124.56 3dp1 s LEU 28 Ca 0.07 -1.43 0.06 0.00 -0.22 0.00 0.00 54.13 52.60 3dp1 s LEU 28 Cb 0.06 -2.20 0.51 0.00 0.50 0.00 0.00 46.19 45.06 3dp1 s LEU 28 CO 0.01 -0.72 1.59 0.18 -1.32 0.00 0.00 176.35 176.08 3dp1 n LEU 29 N 5.28 5.35 -3.90 -0.68 4.77 -1.26 -4.90 117.00 121.67 3dp1 n LEU 29 Ca -0.13 -4.06 -0.21 0.00 -0.03 0.00 0.00 56.01 51.59 3dp1 n LEU 29 Cb 0.43 -0.68 -0.17 0.00 -2.33 0.00 0.00 43.42 40.68 3dp1 n LEU 29 CO 0.50 1.45 -0.42 -0.69 -1.33 0.00 0.00 177.39 176.90 3dp1 s VAL 30 N -3.83 0.63 -0.19 4.08 1.01 -1.26 -4.61 120.40 116.23 3dp1 s VAL 30 Ca 0.52 -0.16 0.12 0.00 0.00 0.00 0.00 61.98 62.46 3dp1 s VAL 30 Cb 0.44 -0.66 -0.20 0.00 0.00 0.00 0.00 36.38 35.96 3dp1 s VAL 30 CO 0.02 0.26 -0.01 0.47 0.00 0.00 0.00 175.10 175.84 3dp1 n ASP 31 N 4.19 1.08 -3.64 3.32 10.43 -0.16 -4.97 116.55 126.79 3dp1 n ASP 31 Ca -0.22 -0.03 -0.15 0.00 2.57 0.00 0.00 54.79 56.96 3dp1 n ASP 31 Cb 0.51 0.59 -0.08 0.00 1.84 0.00 0.00 41.12 43.98 3dp1 n ASP 31 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3dp1 s ARG 32 N -2.43 0.80 -0.24 -1.24 3.52 -1.07 -2.90 118.95 115.39 3dp1 s ARG 32 Ca -0.15 0.41 -0.07 0.00 -0.13 0.00 0.00 55.73 55.79 3dp1 s ARG 32 Cb 0.06 0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 33.79 3dp1 s ARG 32 CO 0.67 -0.18 0.07 0.42 -0.81 0.00 0.00 175.30 175.47 3dp1 s ILE 33 N -0.53 4.45 -0.09 4.11 -1.09 0.12 -1.86 121.20 126.31 3dp1 s ILE 33 Ca -0.06 -0.13 0.20 0.00 -2.23 0.00 0.00 60.65 58.42 3dp1 s ILE 33 Cb -0.03 -3.06 -0.30 0.00 -1.58 0.00 0.00 42.46 37.49 3dp1 s ILE 33 CO 0.05 0.36 0.33 0.35 -1.23 0.00 0.00 174.94 174.79 3dp1 n THR 34 N 4.63 0.47 -3.70 2.92 -2.24 -0.08 -1.46 114.28 114.81 3dp1 n THR 34 Ca -0.16 -0.60 -0.11 0.00 -2.27 0.00 0.00 64.05 60.91 3dp1 n THR 34 Cb 0.52 -0.16 -0.11 0.00 -2.10 0.00 0.00 70.33 68.48 3dp1 n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dp1 s GLU 35 N -3.12 0.40 -0.10 -0.78 2.12 -0.45 -4.61 118.70 112.16 3dp1 s GLU 35 Ca -0.08 0.75 -0.04 0.00 0.36 0.00 0.00 54.97 55.96 3dp1 s GLU 35 Cb 0.11 0.01 0.05 0.00 0.26 0.00 0.00 34.13 34.56 3dp1 s GLU 35 CO 0.85 -0.14 0.21 -1.17 -0.54 0.00 0.00 175.26 174.47 3dp1 s LEU 36 N 1.22 0.01 -0.28 2.70 2.96 -1.21 0.00 118.68 124.07 3dp1 s LEU 36 Ca -0.08 0.46 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 3dp1 s LEU 36 Cb -0.08 0.52 0.07 0.00 0.50 0.00 0.00 46.19 47.20 3dp1 s LEU 36 CO -0.11 -0.22 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.54 3dp1 s GLN 37 N 2.04 1.98 0.08 1.98 -0.21 -0.42 -4.94 119.66 120.17 3dp1 s GLN 37 Ca -0.01 -1.48 -0.36 0.00 0.02 0.00 0.00 55.36 53.53 3dp1 s GLN 37 Cb -0.12 -2.96 -0.18 0.00 1.00 0.00 0.00 33.01 30.75 3dp1 s GLN 37 CO -0.07 -0.68 0.98 0.00 -2.12 0.00 0.00 175.29 173.40 3dp1 n ALA 38 N 4.40 -2.84 -1.08 6.09 0.00 -1.26 -0.75 120.51 125.05 3dp1 n ALA 38 Ca -0.09 0.54 -0.06 0.00 0.00 0.00 0.00 53.44 53.84 3dp1 n ALA 38 Cb 0.42 -1.79 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 3dp1 n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dp1 n ASN 39 N 1.77 -5.21 0.08 0.00 4.13 -1.26 -4.73 115.26 110.03 3dp1 n ASN 39 Ca 0.19 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.58 3dp1 n ASN 39 Cb 0.15 -3.53 0.00 0.00 -1.54 0.00 0.00 39.78 34.86 3dp1 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dp1 n GLN 40 N -0.04 0.00 -3.82 3.52 6.02 0.07 -4.72 117.38 118.41 3dp1 n GLN 40 Ca -0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.85 3dp1 n GLN 40 Cb 0.49 -0.30 -0.04 0.00 1.02 0.00 0.00 30.24 31.42 3dp1 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3dp1 s LYS 41 N -1.95 1.50 -0.18 -1.09 -2.85 -0.98 -0.32 119.74 113.87 3dp1 s LYS 41 Ca 0.00 -0.97 -0.16 0.00 -1.00 0.00 0.00 55.97 53.84 3dp1 s LYS 41 Cb 0.00 0.53 0.05 0.00 -2.06 0.00 0.00 37.83 36.35 3dp1 s LYS 41 CO 0.00 -0.65 0.48 -1.50 0.10 0.00 0.00 175.35 173.78 3dp1 s ILE 42 N -3.91 -0.00 -0.09 3.79 2.07 -0.11 -1.30 121.20 121.64 3dp1 s ILE 42 Ca 0.12 0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.40 3dp1 s ILE 42 Cb -0.02 -0.67 0.01 0.00 0.13 0.00 0.00 42.46 41.90 3dp1 s ILE 42 CO 0.02 0.00 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.18 3dp1 s VAL 43 N 0.40 1.68 0.35 4.00 1.01 0.10 -1.49 120.40 126.45 3dp1 s VAL 43 Ca -0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 3dp1 s VAL 43 Cb -0.04 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3dp1 s VAL 43 CO -0.01 0.48 0.52 0.00 0.00 0.00 0.00 175.10 176.08 3dp1 n ALA 44 N 3.79 -0.48 -3.46 5.51 0.00 -0.44 -0.91 120.51 124.52 3dp1 n ALA 44 Ca -0.20 -1.58 -0.10 0.00 0.00 0.00 0.00 53.44 51.56 3dp1 n ALA 44 Cb 0.52 1.27 -0.03 0.00 0.00 0.00 0.00 19.45 21.22 3dp1 n ALA 44 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3dp1 s TYR 45 N -2.86 -0.34 -0.06 0.00 1.13 -0.78 0.69 117.35 115.13 3dp1 s TYR 45 Ca 0.28 0.04 0.01 0.00 -1.41 0.00 0.00 57.07 55.98 3dp1 s TYR 45 Cb -0.01 0.53 0.02 0.00 -1.10 0.00 0.00 41.96 41.40 3dp1 s TYR 45 CO 0.20 -0.94 -0.05 0.21 -2.51 0.00 0.00 175.55 172.46 3dp1 s LYS 46 N -3.82 0.97 0.24 -3.49 2.20 0.17 -0.98 119.74 115.03 3dp1 s LYS 46 Ca 0.05 -0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.24 3dp1 s LYS 46 Cb -0.02 -1.01 -0.09 0.00 -1.51 0.00 0.00 37.83 35.20 3dp1 s LYS 46 CO -0.06 -0.13 1.07 -0.80 -0.36 0.00 0.00 175.35 175.07 3dp1 s ASN 47 N 1.16 7.34 -0.22 1.43 0.01 -1.26 -1.36 114.94 122.04 3dp1 s ASN 47 Ca -0.07 2.16 -0.06 0.00 -0.71 0.00 0.00 52.86 54.18 3dp1 s ASN 47 Cb -0.14 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 38.87 3dp1 s ASN 47 CO -0.01 -0.11 0.04 -0.63 -1.51 0.00 0.00 177.10 174.88 3dp1 s ILE 48 N -0.91 4.26 0.07 0.60 -1.09 -0.24 -4.92 121.20 118.97 3dp1 s ILE 48 Ca 0.45 -0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.70 3dp1 s ILE 48 Cb -0.30 -2.95 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 3dp1 s ILE 48 CO 0.38 0.39 -0.10 0.28 -1.23 0.00 0.00 174.94 174.66 3dp1 s THR 49 N 1.16 0.80 0.50 2.92 -1.32 -1.26 -0.72 115.64 117.71 3dp1 s THR 49 Ca 0.04 -1.41 0.19 0.00 -1.21 0.00 0.00 61.69 59.30 3dp1 s THR 49 Cb -0.14 -1.07 0.26 0.00 -1.51 0.00 0.00 72.50 70.04 3dp1 s THR 49 CO 0.03 -0.47 2.11 0.15 -2.21 0.00 0.00 174.62 174.23 3dp1 h PHE 50 N 3.97 0.00 0.00 9.09 3.57 -1.96 -3.20 116.94 128.40 3dp1 h PHE 50 Ca -0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.13 3dp1 h PHE 50 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3dp1 h PHE 50 CO 0.63 0.07 0.00 -1.71 -2.23 0.00 0.00 178.31 175.07 3dp1 n ASN 51 N -4.28 3.15 -4.22 0.41 4.05 -1.26 -4.75 115.26 108.36 3dp1 n ASN 51 Ca -0.03 -1.83 -0.30 0.00 0.45 0.00 0.00 54.58 52.88 3dp1 n ASN 51 Cb 0.15 -0.66 -0.16 0.00 1.23 0.00 0.00 39.78 40.33 3dp1 n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3dp1 s GLU 52 N 0.82 2.27 0.32 1.20 2.02 -1.21 -5.04 118.70 119.08 3dp1 s GLU 52 Ca 0.00 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.23 3dp1 s GLU 52 Cb 0.00 -1.94 0.66 0.00 0.10 0.00 0.00 34.13 32.95 3dp1 s GLU 52 CO 0.00 0.34 1.88 0.22 0.02 0.00 0.00 175.26 177.72 3dp1 h ASP 53 N 6.11 0.80 -1.00 -0.19 3.58 -1.94 -2.37 116.42 121.40 3dp1 h ASP 53 Ca -0.32 0.03 0.26 0.00 0.42 0.00 0.00 57.03 57.41 3dp1 h ASP 53 Cb 1.17 -0.13 -0.13 0.00 1.72 0.00 0.00 39.33 41.96 3dp1 h ASP 53 CO 0.47 0.45 0.59 0.58 -2.88 0.00 0.00 179.24 178.45 3dp1 h VAL 54 N 0.87 0.50 0.00 2.25 2.07 -1.96 0.12 116.25 120.10 3dp1 h VAL 54 Ca 0.43 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 3dp1 h VAL 54 Cb 0.48 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3dp1 h VAL 54 CO -0.20 0.10 -0.00 -0.26 0.02 0.00 0.00 177.57 177.23 3dp1 h PHE 55 N 0.54 0.00 0.00 1.57 0.05 -1.71 -2.20 116.94 115.20 3dp1 h PHE 55 Ca 0.66 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 62.44 3dp1 h PHE 55 Cb 1.29 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.24 3dp1 h PHE 55 CO -0.01 0.00 -0.04 -0.91 -0.18 0.00 0.00 178.31 177.17 3dp1 h ASN 56 N 0.00 0.00 -0.08 2.17 2.35 -1.12 -3.08 115.58 115.83 3dp1 h ASN 56 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dp1 h ASN 56 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3dp1 h ASN 56 CO 0.00 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 3dp1 n GLY 57 N -1.41 1.76 2.37 2.83 0.00 -0.85 -4.21 105.19 105.68 3dp1 n GLY 57 Ca -0.03 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 3dp1 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3dp1 n HIS 58 N -0.08 -1.32 -4.21 1.61 -0.00 -1.05 -4.64 115.22 105.53 3dp1 n HIS 58 Ca 0.03 -2.98 -0.12 0.00 -0.00 0.00 0.00 57.72 54.65 3dp1 n HIS 58 Cb 0.24 0.26 -0.10 0.00 -0.00 0.00 0.00 29.99 30.39 3dp1 n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3dp1 s PHE 59 N -0.58 1.08 0.05 1.57 0.40 0.04 -0.85 117.98 119.69 3dp1 s PHE 59 Ca 0.34 -1.08 -0.35 0.00 -0.60 0.00 0.00 56.93 55.24 3dp1 s PHE 59 Cb 0.19 -0.62 -0.15 0.00 0.51 0.00 0.00 43.02 42.95 3dp1 s PHE 59 CO -0.15 -0.30 1.57 -2.30 0.70 0.00 0.00 175.22 174.74 3dp1 n PRO 60 N -0.18 1.74 -1.76 0.24 -0.02 -1.26 -0.95 135.00 132.81 3dp1 n PRO 60 Ca -0.07 0.63 -0.19 0.00 -2.02 0.00 0.00 63.50 61.85 3dp1 n PRO 60 Cb 0.63 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3dp1 n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dp1 n ASN 61 N 3.88 -5.38 -2.72 2.55 3.02 -1.26 -4.86 115.26 110.49 3dp1 n ASN 61 Ca 0.19 0.35 -0.05 0.00 -0.03 0.00 0.00 54.58 55.05 3dp1 n ASN 61 Cb 0.24 -4.54 0.04 0.00 -0.61 0.00 0.00 39.78 34.91 3dp1 n ASN 61 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3dp1 n LYS 62 N -2.54 0.41 -2.13 3.52 3.00 -0.12 -5.13 118.16 115.16 3dp1 n LYS 62 Ca -0.20 -1.37 -0.43 0.00 -0.00 0.00 0.00 58.31 56.31 3dp1 n LYS 62 Cb 0.64 -0.83 -0.03 0.00 0.00 0.00 0.00 35.03 34.82 3dp1 n LYS 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3dp1 s PRO 63 N 0.68 4.03 -0.08 1.64 0.04 -1.22 -0.78 135.00 139.31 3dp1 s PRO 63 Ca 0.28 1.87 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 3dp1 s PRO 63 Cb 0.14 -3.96 0.03 0.00 0.04 0.00 0.00 34.50 30.74 3dp1 s PRO 63 CO -0.12 -1.00 -0.03 0.42 0.04 0.00 0.00 177.00 176.31 3dp1 s ILE 64 N 4.40 0.57 -0.07 0.56 1.01 -0.03 -4.54 121.20 123.10 3dp1 s ILE 64 Ca 0.69 -0.02 -0.29 0.00 0.00 0.00 0.00 60.65 61.02 3dp1 s ILE 64 Cb -0.27 -0.67 -0.06 0.00 0.01 0.00 0.00 42.46 41.47 3dp1 s ILE 64 CO 0.26 0.28 1.79 0.12 0.00 0.00 0.00 174.94 177.39 3dp1 s PHE 65 N 1.72 1.72 0.01 3.97 5.36 0.75 -4.62 117.98 126.90 3dp1 s PHE 65 Ca 0.02 0.09 -0.38 0.00 -0.96 0.00 0.00 56.93 55.71 3dp1 s PHE 65 Cb -0.13 -4.02 -0.17 0.00 -0.34 0.00 0.00 43.02 38.36 3dp1 s PHE 65 CO -0.05 -4.21 1.41 -2.30 -1.46 0.00 0.00 175.22 168.60 3dp1 n PRO 66 N 7.49 1.09 -0.30 10.12 -0.02 -1.26 -4.56 135.00 147.56 3dp1 n PRO 66 Ca 0.19 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 62.11 3dp1 n PRO 66 Cb 0.43 -2.04 0.18 0.00 -0.02 0.00 0.00 33.50 32.05 3dp1 n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3dp1 h GLY 67 N 4.99 1.34 2.00 -1.23 0.00 -1.99 -0.66 103.07 107.52 3dp1 h GLY 67 Ca -0.48 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 3dp1 h GLY 67 CO 0.81 0.11 -0.08 -0.39 0.00 0.00 0.00 176.54 176.99 3dp1 h VAL 68 N 0.80 0.88 0.00 4.60 -1.51 -2.00 -1.00 116.25 118.02 3dp1 h VAL 68 Ca 0.42 -0.31 -0.09 0.00 -1.23 0.00 0.00 66.70 65.49 3dp1 h VAL 68 Cb 0.41 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 3dp1 h VAL 68 CO -0.26 0.08 -0.45 -0.07 -1.23 0.00 0.00 177.57 175.64 3dp1 h LEU 69 N 0.00 0.00 -0.49 4.19 3.38 -1.48 -1.77 115.31 119.14 3dp1 h LEU 69 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3dp1 h LEU 69 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3dp1 h LEU 69 CO 0.01 0.45 -0.06 0.40 0.09 0.00 0.00 178.44 179.32 3dp1 h ILE 70 N 0.00 1.27 -0.55 1.22 2.04 -0.89 -0.16 117.51 120.44 3dp1 h ILE 70 Ca -0.00 -1.17 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 3dp1 h ILE 70 Cb 1.19 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 3dp1 h ILE 70 CO 0.06 0.41 0.08 0.58 0.00 0.00 0.00 178.15 179.28 3dp1 h VAL 71 N 0.75 1.26 -0.72 1.67 2.07 -1.33 -1.68 116.25 118.27 3dp1 h VAL 71 Ca 0.13 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.73 3dp1 h VAL 71 Cb 0.60 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3dp1 h VAL 71 CO 0.04 0.35 0.41 -0.08 0.02 0.00 0.00 177.57 178.32 3dp1 h GLU 72 N 0.81 0.74 -0.55 1.57 4.57 -1.03 0.81 114.58 121.50 3dp1 h GLU 72 Ca 0.17 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.26 3dp1 h GLU 72 Cb 0.42 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 3dp1 h GLU 72 CO 0.01 0.49 0.15 0.78 -1.18 0.00 0.00 179.01 179.26 3dp1 h GLY 73 N 0.76 0.89 1.01 1.92 0.00 -0.55 -0.15 103.07 106.95 3dp1 h GLY 73 Ca 0.32 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 3dp1 h GLY 73 CO -0.18 0.47 -0.19 -0.33 0.00 0.00 0.00 176.54 176.31 3dp1 h MET 74 N 0.81 0.80 -0.23 4.80 2.86 -0.38 -1.81 114.93 121.78 3dp1 h MET 74 Ca 0.18 -0.35 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3dp1 h MET 74 Cb 0.27 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3dp1 h MET 74 CO -0.01 0.98 0.11 0.00 1.06 0.00 0.00 176.91 179.06 3dp1 h ALA 75 N 0.80 0.27 -0.84 6.32 0.00 -0.43 -0.09 119.26 125.29 3dp1 h ALA 75 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3dp1 h ALA 75 Cb 0.74 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3dp1 h ALA 75 CO 0.06 -0.29 0.56 1.96 0.00 0.00 0.00 179.25 181.53 3dp1 h GLN 76 N 0.24 1.07 -0.44 0.00 4.20 -0.92 0.47 115.11 119.73 3dp1 h GLN 76 Ca 0.09 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 3dp1 h GLN 76 Cb 0.02 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 3dp1 h GLN 76 CO -0.06 0.70 0.01 0.77 -0.67 0.00 0.00 178.83 179.58 3dp1 h SER 77 N 1.10 0.75 -0.58 1.46 0.02 -0.81 -0.96 113.55 114.54 3dp1 h SER 77 Ca 0.32 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3dp1 h SER 77 Cb -0.06 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 3dp1 h SER 77 CO -0.08 0.87 0.32 1.23 -1.14 0.00 0.00 176.83 178.03 3dp1 h GLY 78 N 0.61 0.86 1.04 -3.77 0.00 0.18 -1.26 103.07 100.73 3dp1 h GLY 78 Ca 0.12 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.10 3dp1 h GLY 78 CO 0.02 0.37 0.58 -1.33 0.00 0.00 0.00 176.54 176.18 3dp1 h GLY 79 N 0.78 1.25 1.28 4.60 0.00 0.23 0.26 103.07 111.47 3dp1 h GLY 79 Ca 0.20 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 3dp1 h GLY 79 CO -0.03 0.39 -0.11 -2.75 0.00 0.00 0.00 176.54 174.04 3dp1 h PHE 80 N 1.12 0.94 0.31 5.60 3.57 -0.55 -1.32 116.94 126.60 3dp1 h PHE 80 Ca 0.34 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3dp1 h PHE 80 Cb -0.02 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.49 3dp1 h PHE 80 CO -0.00 0.91 -0.15 1.25 -2.23 0.00 0.00 178.31 178.09 3dp1 h LEU 81 N 0.76 -0.35 -0.52 0.59 5.85 -0.11 -2.43 115.31 119.10 3dp1 h LEU 81 Ca 0.13 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.82 3dp1 h LEU 81 Cb 0.62 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.64 3dp1 h LEU 81 CO 0.04 -0.06 -0.15 0.00 -0.34 0.00 0.00 178.44 177.93 3dp1 h ALA 82 N -0.04 0.31 -0.06 1.25 0.00 -0.41 -1.15 119.26 119.16 3dp1 h ALA 82 Ca -0.04 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3dp1 h ALA 82 Cb 0.46 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3dp1 h ALA 82 CO 0.07 -0.46 -0.02 0.35 0.00 0.00 0.00 179.25 179.19 3dp1 h PHE 83 N -0.02 0.14 0.00 0.00 3.04 -1.24 -2.79 116.94 116.07 3dp1 h PHE 83 Ca 0.25 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 3dp1 h PHE 83 Cb 0.40 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.87 3dp1 h PHE 83 CO -0.45 0.48 -0.10 1.79 -2.02 0.00 0.00 178.31 178.01 3dp1 h THR 84 N -0.24 0.44 -0.30 4.41 1.35 -1.29 0.63 112.91 117.90 3dp1 h THR 84 Ca 0.01 -0.52 -0.15 0.00 -0.55 0.00 0.00 66.41 65.21 3dp1 h THR 84 Cb 0.44 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 3dp1 h THR 84 CO 0.01 0.10 -0.41 0.28 -0.25 0.00 0.00 175.52 175.25 3dp1 h SER 85 N 0.00 0.78 0.49 5.36 0.02 -1.08 0.30 113.55 119.42 3dp1 h SER 85 Ca -0.00 -0.36 -0.29 0.00 -0.84 0.00 0.00 61.79 60.30 3dp1 h SER 85 Cb 0.35 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 3dp1 h SER 85 CO 0.01 1.09 -1.70 -0.07 -1.14 0.00 0.00 176.83 175.02 3dp1 h LEU 86 N 0.60 0.02 -0.53 5.07 4.07 -1.11 -3.41 115.31 120.00 3dp1 h LEU 86 Ca 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3dp1 h LEU 86 Cb 0.95 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.69 3dp1 h LEU 86 CO 0.09 1.03 0.00 0.79 -1.08 0.00 0.00 178.44 179.27 3dp1 n TRP 87 N -3.07 0.00 -4.69 1.13 8.01 0.15 -5.12 117.44 113.86 3dp1 n TRP 87 Ca -0.17 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.02 3dp1 n TRP 87 Cb 1.05 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.35 3dp1 n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dp1 n GLY 88 N 0.00 -0.30 3.55 6.99 0.00 0.11 -3.99 105.19 111.55 3dp1 n GLY 88 Ca 0.00 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 3dp1 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dp1 s PHE 89 N 0.00 2.59 -0.49 1.61 5.36 -1.26 -4.29 117.98 121.49 3dp1 s PHE 89 Ca 0.00 -0.90 0.03 0.00 -0.96 0.00 0.00 56.93 55.10 3dp1 s PHE 89 Cb 0.00 -4.66 0.13 0.00 -0.34 0.00 0.00 43.02 38.15 3dp1 s PHE 89 CO 0.00 -1.90 0.26 0.34 -1.46 0.00 0.00 175.22 172.46 3dp1 s ASP 90 N 4.85 4.00 0.36 6.13 -1.08 -1.26 -4.98 116.67 124.69 3dp1 s ASP 90 Ca 0.45 -2.86 0.04 0.00 -0.52 0.00 0.00 52.55 49.66 3dp1 s ASP 90 Cb -0.00 -1.36 0.68 0.00 -1.46 0.00 0.00 42.92 40.79 3dp1 s ASP 90 CO -0.10 -0.24 1.99 -0.65 0.52 0.00 0.00 175.17 176.69 3dp1 h PRO 91 N 6.57 0.79 -0.54 4.34 0.11 -1.90 -1.92 132.00 139.44 3dp1 h PRO 91 Ca -0.04 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 3dp1 h PRO 91 Cb 0.90 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 3dp1 h PRO 91 CO 0.59 0.52 0.24 0.93 -0.21 0.00 0.00 178.00 180.07 3dp1 h GLU 92 N 0.81 0.80 0.00 1.05 4.39 -1.94 -2.39 114.58 117.31 3dp1 h GLU 92 Ca 0.27 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 3dp1 h GLU 92 Cb 0.07 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3dp1 h GLU 92 CO -0.08 0.68 -0.14 0.82 -1.16 0.00 0.00 179.01 179.14 3dp1 h ILE 93 N 0.74 0.24 -0.18 3.13 2.04 -1.92 -3.26 117.51 118.30 3dp1 h ILE 93 Ca 0.18 -1.34 -0.17 0.00 1.00 0.00 0.00 64.86 64.53 3dp1 h ILE 93 Cb 0.17 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 3dp1 h ILE 93 CO -0.02 0.14 -0.59 0.00 0.00 0.00 0.00 178.15 177.67 3dp1 h ALA 94 N 1.86 0.63 0.00 1.87 0.00 -1.07 -3.00 119.26 119.55 3dp1 h ALA 94 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3dp1 h ALA 94 Cb 1.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3dp1 h ALA 94 CO 0.02 0.70 0.00 0.36 0.00 0.00 0.00 179.25 180.33 3dp1 n LYS 95 N -3.94 0.25 -0.21 0.00 2.85 -0.92 -1.62 118.16 114.58 3dp1 n LYS 95 Ca -0.04 0.11 0.12 0.00 -1.05 0.00 0.00 58.31 57.45 3dp1 n LYS 95 Cb 0.63 -1.50 0.22 0.00 -0.65 0.00 0.00 35.03 33.74 3dp1 n LYS 95 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3dp1 n THR 96 N -1.20 0.55 -4.36 0.58 -2.24 -1.13 -4.93 114.28 101.55 3dp1 n THR 96 Ca 0.07 -0.78 -0.18 0.00 -2.27 0.00 0.00 64.05 60.90 3dp1 n THR 96 Cb 0.08 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.16 3dp1 n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dp1 s LYS 97 N -1.43 1.39 0.24 -0.78 -0.14 -0.64 0.21 119.74 118.59 3dp1 s LYS 97 Ca 0.40 -1.71 0.01 0.00 -1.36 0.00 0.00 55.97 53.31 3dp1 s LYS 97 Cb 0.23 -0.74 -0.04 0.00 -1.68 0.00 0.00 37.83 35.60 3dp1 s LYS 97 CO 0.32 -0.07 0.17 0.96 -0.76 0.00 0.00 175.35 175.96 3dp1 s ILE 98 N -3.33 0.06 -0.02 2.17 -4.36 -0.69 -4.72 121.20 110.32 3dp1 s ILE 98 Ca 0.29 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.75 3dp1 s ILE 98 Cb 0.05 -2.51 -0.02 0.00 1.25 0.00 0.00 42.46 41.23 3dp1 s ILE 98 CO 0.10 0.00 -0.25 -0.69 0.24 0.00 0.00 174.94 174.34 3dp1 s VAL 99 N -3.92 2.17 -0.08 8.37 1.01 -1.26 -1.58 120.40 125.11 3dp1 s VAL 99 Ca 0.39 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3dp1 s VAL 99 Cb 0.06 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3dp1 s VAL 99 CO 0.16 0.58 -0.24 -0.31 0.00 0.00 0.00 175.10 175.29 3dp1 s TYR 100 N -0.61 2.51 -0.02 5.22 1.51 0.91 -4.94 117.35 121.92 3dp1 s TYR 100 Ca 0.10 -0.88 -0.30 0.00 -1.01 0.00 0.00 57.07 54.98 3dp1 s TYR 100 Cb -0.10 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 3dp1 s TYR 100 CO -0.01 -0.32 1.09 -0.06 -1.11 0.00 0.00 175.55 175.15 3dp1 s PHE 101 N 0.09 3.46 -0.19 2.71 2.99 -1.26 -0.46 117.98 125.33 3dp1 s PHE 101 Ca -0.11 1.47 -0.05 0.00 0.00 0.00 0.00 56.93 58.24 3dp1 s PHE 101 Cb -0.16 -3.28 -0.10 0.00 0.00 0.00 0.00 43.02 39.48 3dp1 s PHE 101 CO 0.06 -0.66 -0.21 -1.33 -0.00 0.00 0.00 175.22 173.08 3dp1 n MET 102 N 4.46 0.44 -3.67 0.44 2.81 0.42 -4.94 117.12 117.08 3dp1 n MET 102 Ca 0.08 0.15 -0.11 0.00 -1.81 0.00 0.00 57.70 56.02 3dp1 n MET 102 Cb 0.48 -1.29 -0.05 0.00 -0.71 0.00 0.00 33.22 31.65 3dp1 n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3dp1 s THR 103 N -2.37 0.08 -0.01 2.03 -4.23 -0.98 -4.98 115.64 105.18 3dp1 s THR 103 Ca -0.27 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 3dp1 s THR 103 Cb 0.09 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.80 3dp1 s THR 103 CO 0.39 -0.35 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.46 3dp1 s ILE 104 N -3.50 0.26 0.06 2.99 1.01 -1.26 -1.68 121.20 119.07 3dp1 s ILE 104 Ca 0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.48 3dp1 s ILE 104 Cb 0.02 -0.24 -0.00 0.00 0.01 0.00 0.00 42.46 42.24 3dp1 s ILE 104 CO -0.10 0.09 0.16 -1.81 0.00 0.00 0.00 174.94 173.29 3dp1 s ASP 105 N 0.14 0.11 -1.58 3.58 1.11 0.38 -4.96 116.67 115.45 3dp1 s ASP 105 Ca -0.01 -0.52 -0.08 0.00 0.18 0.00 0.00 52.55 52.12 3dp1 s ASP 105 Cb -0.04 0.29 0.07 0.00 1.07 0.00 0.00 42.92 44.31 3dp1 s ASP 105 CO -0.00 -0.61 0.43 0.29 1.18 0.00 0.00 175.17 176.46 3dp1 n LYS 106 N 0.43 -2.37 -3.41 8.23 5.02 -1.26 -1.36 118.16 123.43 3dp1 n LYS 106 Ca -0.17 0.29 -0.38 0.00 -2.02 0.00 0.00 58.31 56.02 3dp1 n LYS 106 Cb 0.60 -4.46 -0.06 0.00 -0.02 0.00 0.00 35.03 31.09 3dp1 n LYS 106 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dp1 s VAL 107 N -3.81 5.12 -0.03 -0.18 0.11 -1.26 -3.93 120.40 116.41 3dp1 s VAL 107 Ca 0.29 0.87 0.03 0.00 -2.93 0.00 0.00 61.98 60.25 3dp1 s VAL 107 Cb -0.16 -3.76 -0.00 0.00 -1.53 0.00 0.00 36.38 30.93 3dp1 s VAL 107 CO 0.94 0.45 -0.12 -0.54 -3.33 0.00 0.00 175.10 172.49 3dp1 s LYS 108 N -0.16 1.24 -0.36 1.54 1.02 -0.60 -4.96 119.74 117.47 3dp1 s LYS 108 Ca 0.24 -0.43 -0.06 0.00 0.02 0.00 0.00 55.97 55.74 3dp1 s LYS 108 Cb -0.16 -1.13 0.06 0.00 -0.52 0.00 0.00 37.83 36.08 3dp1 s LYS 108 CO 0.11 0.19 0.13 -0.06 -0.92 0.00 0.00 175.35 174.80 3dp1 s PHE 109 N 0.04 3.31 -0.18 3.18 2.99 -1.26 -1.20 117.98 124.87 3dp1 s PHE 109 Ca -0.02 -1.61 0.12 0.00 0.00 0.00 0.00 56.93 55.42 3dp1 s PHE 109 Cb -0.09 -2.49 -0.23 0.00 0.00 0.00 0.00 43.02 40.22 3dp1 s PHE 109 CO 0.01 -0.79 0.14 0.54 -0.00 0.00 0.00 175.22 175.12 3dp1 n ARG 110 N 4.78 0.68 -3.85 0.44 1.74 -0.25 -4.97 116.66 115.23 3dp1 n ARG 110 Ca -0.11 0.10 -0.16 0.00 -0.77 0.00 0.00 57.85 56.91 3dp1 n ARG 110 Cb 0.44 -1.59 -0.16 0.00 -1.02 0.00 0.00 32.46 30.13 3dp1 n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dp1 s ILE 111 N -2.52 0.06 0.43 0.55 1.01 -0.96 -5.01 121.20 114.75 3dp1 s ILE 111 Ca -0.15 0.15 -0.26 0.00 0.00 0.00 0.00 60.65 60.39 3dp1 s ILE 111 Cb 0.07 -0.18 -0.09 0.00 0.01 0.00 0.00 42.46 42.28 3dp1 s ILE 111 CO 0.77 0.12 1.39 -2.16 0.00 0.00 0.00 174.94 175.07 3dp1 s PRO 112 N 1.06 3.80 -0.19 2.79 0.04 -1.26 -4.79 135.00 136.45 3dp1 s PRO 112 Ca -0.09 2.35 -0.07 0.00 0.04 0.00 0.00 61.00 63.22 3dp1 s PRO 112 Cb -0.13 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 3dp1 s PRO 112 CO -0.02 -0.70 0.06 0.08 0.04 0.00 0.00 177.00 176.46 3dp1 s VAL 113 N -1.21 4.73 0.24 -0.36 1.01 -1.26 -5.03 120.40 118.52 3dp1 s VAL 113 Ca 0.59 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.55 3dp1 s VAL 113 Cb -0.42 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3dp1 s VAL 113 CO 0.54 0.44 0.01 0.42 0.00 0.00 0.00 175.10 176.52 3dp1 s THR 114 N 0.52 0.96 0.21 3.92 -4.23 -1.26 -0.18 115.64 115.58 3dp1 s THR 114 Ca 0.03 -2.02 -0.32 0.00 -1.18 0.00 0.00 61.69 58.20 3dp1 s THR 114 Cb -0.13 -2.40 -0.15 0.00 1.34 0.00 0.00 72.50 71.16 3dp1 s THR 114 CO 0.01 -0.27 1.20 -2.65 -0.54 0.00 0.00 174.62 172.37 3dp1 n PRO 115 N -0.43 1.40 0.00 3.99 -0.02 -1.26 -1.55 135.00 137.13 3dp1 n PRO 115 Ca -0.04 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3dp1 n PRO 115 Cb 0.64 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3dp1 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dp1 n GLY 116 N 1.93 0.93 3.82 -1.23 0.00 0.10 -4.93 105.19 105.81 3dp1 n GLY 116 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3dp1 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dp1 s ASP 117 N -1.78 7.01 -0.48 1.61 -0.00 -0.60 -4.92 116.67 117.50 3dp1 s ASP 117 Ca 0.00 1.42 -0.11 0.00 -0.00 0.00 0.00 52.55 53.86 3dp1 s ASP 117 Cb 0.00 -2.42 0.12 0.00 -0.00 0.00 0.00 42.92 40.61 3dp1 s ASP 117 CO 0.00 -0.04 0.38 -0.60 -0.00 0.00 0.00 175.17 174.91 3dp1 s ARG 118 N -2.24 2.64 -0.53 8.23 3.52 -1.26 -1.07 118.95 128.24 3dp1 s ARG 118 Ca 0.46 -1.70 -0.28 0.00 -0.13 0.00 0.00 55.73 54.08 3dp1 s ARG 118 Cb -0.15 -4.01 0.02 0.00 -1.56 0.00 0.00 34.95 29.25 3dp1 s ARG 118 CO 0.20 -1.19 1.27 -1.17 -0.81 0.00 0.00 175.30 173.60 3dp1 s LEU 119 N 1.44 3.50 -0.21 -0.88 2.96 -0.46 -4.41 118.68 120.62 3dp1 s LEU 119 Ca 0.05 0.34 -0.14 0.00 -0.22 0.00 0.00 54.13 54.16 3dp1 s LEU 119 Cb -0.27 -3.28 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 3dp1 s LEU 119 CO 0.01 -1.49 0.30 -0.70 -1.32 0.00 0.00 176.35 173.15 3dp1 s GLU 120 N 5.00 4.14 -0.22 1.98 2.12 0.11 -0.66 118.70 131.18 3dp1 s GLU 120 Ca 0.49 0.02 -0.12 0.00 0.36 0.00 0.00 54.97 55.71 3dp1 s GLU 120 Cb -0.09 -3.53 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 3dp1 s GLU 120 CO 0.28 0.02 0.24 0.71 -0.54 0.00 0.00 175.26 175.97 3dp1 s TYR 121 N 1.14 3.36 -0.26 5.30 4.12 0.22 0.12 117.35 131.35 3dp1 s TYR 121 Ca 0.14 0.39 0.02 0.00 0.02 0.00 0.00 57.07 57.64 3dp1 s TYR 121 Cb -0.14 -2.34 0.06 0.00 -1.52 0.00 0.00 41.96 38.02 3dp1 s TYR 121 CO 0.06 0.08 -0.08 -1.01 0.02 0.00 0.00 175.55 174.63 3dp1 s HIS 122 N 1.00 2.94 0.08 2.71 3.76 0.03 -1.33 115.29 124.48 3dp1 s HIS 122 Ca 0.12 -2.14 0.07 0.00 -0.15 0.00 0.00 55.06 52.96 3dp1 s HIS 122 Cb -0.14 -1.85 -0.03 0.00 1.11 0.00 0.00 32.58 31.67 3dp1 s HIS 122 CO 0.05 -0.84 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.39 3dp1 s LEU 123 N 1.21 2.27 0.02 0.89 2.01 -0.56 -1.27 118.68 123.24 3dp1 s LEU 123 Ca -0.06 -0.63 0.02 0.00 0.01 0.00 0.00 54.13 53.47 3dp1 s LEU 123 Cb -0.19 -0.82 -0.01 0.00 0.01 0.00 0.00 46.19 45.18 3dp1 s LEU 123 CO -0.06 0.05 -0.07 -1.83 1.01 0.00 0.00 176.35 175.45 3dp1 s GLU 124 N -1.71 0.52 -0.22 1.70 -1.05 -0.72 -0.94 118.70 116.29 3dp1 s GLU 124 Ca 0.05 -0.47 -0.28 0.00 -0.15 0.00 0.00 54.97 54.11 3dp1 s GLU 124 Cb -0.10 -0.41 0.01 0.00 -0.44 0.00 0.00 34.13 33.18 3dp1 s GLU 124 CO 0.03 0.10 1.01 0.14 0.95 0.00 0.00 175.26 177.49 3dp1 s VAL 125 N -0.70 4.71 0.08 1.83 -7.23 0.56 -1.72 120.40 117.93 3dp1 s VAL 125 Ca -0.03 1.97 0.08 0.00 -1.81 0.00 0.00 61.98 62.19 3dp1 s VAL 125 Cb -0.06 -4.28 -0.18 0.00 0.56 0.00 0.00 36.38 32.42 3dp1 s VAL 125 CO 0.00 -0.15 1.25 -0.07 -0.31 0.00 0.00 175.10 175.83 3dp1 h LEU 126 N 9.28 0.00 -7.00 1.32 3.38 0.63 -3.48 115.31 119.44 3dp1 h LEU 126 Ca -0.21 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.94 3dp1 h LEU 126 Cb 1.07 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.59 3dp1 h LEU 126 CO 0.95 0.94 0.73 -0.75 0.09 0.00 0.00 178.44 180.40 3dp1 s LYS 127 N -2.73 0.38 -0.25 1.13 2.20 -0.70 -5.00 119.74 114.76 3dp1 s LYS 127 Ca 0.01 0.01 -0.22 0.00 -0.36 0.00 0.00 55.97 55.41 3dp1 s LYS 127 Cb 0.10 0.18 0.07 0.00 -1.51 0.00 0.00 37.83 36.66 3dp1 s LYS 127 CO 0.81 -0.14 0.67 -3.38 -0.36 0.00 0.00 175.35 172.96 3dp1 s HIS 128 N -1.54 -0.78 -0.26 4.03 -3.43 -1.26 0.64 115.29 112.69 3dp1 s HIS 128 Ca 0.05 1.84 -0.02 0.00 -0.80 0.00 0.00 55.06 56.13 3dp1 s HIS 128 Cb -0.01 0.30 0.13 0.00 -1.43 0.00 0.00 32.58 31.57 3dp1 s HIS 128 CO -0.04 -0.38 0.32 0.21 -2.00 0.00 0.00 174.74 172.86 3dp1 s LYS 129 N 0.54 0.32 7.80 -0.38 2.20 0.82 -5.01 119.74 126.03 3dp1 s LYS 129 Ca -0.01 0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 3dp1 s LYS 129 Cb -0.05 -0.66 0.00 0.00 -1.51 0.00 0.00 37.83 35.61 3dp1 s LYS 129 CO -0.02 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 174.56 3dp1 n GLY 130 N 5.34 3.45 0.08 5.54 0.00 -1.26 -1.30 105.19 117.03 3dp1 n GLY 130 Ca -0.03 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.03 3dp1 n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dp1 n MET 131 N 13.51 0.45 -3.21 1.61 2.81 -1.26 -4.79 117.12 126.25 3dp1 n MET 131 Ca 0.00 -0.15 -0.41 0.00 -1.81 0.00 0.00 57.70 55.32 3dp1 n MET 131 Cb 0.00 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 30.94 3dp1 n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3dp1 s ILE 132 N -2.65 4.98 -0.06 2.02 -1.09 -0.42 -1.53 121.20 122.45 3dp1 s ILE 132 Ca 0.23 0.40 0.06 0.00 -2.23 0.00 0.00 60.65 59.10 3dp1 s ILE 132 Cb 0.19 -4.00 -0.01 0.00 -1.58 0.00 0.00 42.46 37.07 3dp1 s ILE 132 CO 0.52 -0.25 -0.23 0.26 -1.23 0.00 0.00 174.94 174.01 3dp1 s TRP 133 N 2.48 2.25 -0.21 3.97 0.52 -0.44 -0.13 118.94 127.37 3dp1 s TRP 133 Ca 0.20 -0.68 0.01 0.00 0.02 0.00 0.00 56.10 55.65 3dp1 s TRP 133 Cb -0.15 -1.48 0.03 0.00 -1.15 0.00 0.00 33.47 30.71 3dp1 s TRP 133 CO 0.14 -0.21 -0.15 -1.14 0.02 0.00 0.00 176.95 175.61 3dp1 s GLN 134 N -0.08 2.80 0.28 4.98 0.74 0.21 -1.17 119.66 127.42 3dp1 s GLN 134 Ca -0.04 -0.97 0.09 0.00 0.05 0.00 0.00 55.36 54.49 3dp1 s GLN 134 Cb -0.13 -2.74 -0.06 0.00 1.10 0.00 0.00 33.01 31.19 3dp1 s GLN 134 CO 0.04 -0.33 -0.13 0.14 -0.55 0.00 0.00 175.29 174.46 3dp1 s VAL 135 N 1.26 2.08 0.00 1.34 -7.23 -0.34 0.12 120.40 117.63 3dp1 s VAL 135 Ca 0.01 -2.25 -0.22 0.00 -1.81 0.00 0.00 61.98 57.70 3dp1 s VAL 135 Cb -0.15 -2.38 0.05 0.00 0.56 0.00 0.00 36.38 34.45 3dp1 s VAL 135 CO -0.09 -0.36 0.50 -0.83 -0.31 0.00 0.00 175.10 174.01 3dp1 s GLY 136 N -3.49 -0.38 0.00 2.32 0.00 -0.70 -0.75 107.32 104.33 3dp1 s GLY 136 Ca 0.29 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.71 3dp1 s GLY 136 CO 0.13 0.41 0.00 0.61 0.00 0.00 0.00 173.10 174.25 3dp1 n GLY 137 N 0.79 -0.77 3.32 0.20 0.00 -0.26 -1.75 105.19 106.71 3dp1 n GLY 137 Ca -0.19 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 3dp1 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dp1 s THR 138 N -4.00 0.00 -0.09 2.61 -4.23 -0.40 -2.16 115.64 107.37 3dp1 s THR 138 Ca 0.00 -1.83 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 3dp1 s THR 138 Cb 0.00 -2.43 -0.00 0.00 1.34 0.00 0.00 72.50 71.41 3dp1 s THR 138 CO 0.00 0.00 -0.23 0.00 -0.54 0.00 0.00 174.62 173.85 3dp1 s ALA 139 N -4.04 2.04 0.08 3.99 0.00 -0.20 -0.79 121.76 122.84 3dp1 s ALA 139 Ca 0.35 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.47 3dp1 s ALA 139 Cb 0.04 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 3dp1 s ALA 139 CO 0.12 0.29 -0.20 -0.65 0.00 0.00 0.00 175.76 175.33 3dp1 s GLN 140 N 0.29 1.17 -0.12 0.00 -0.21 0.32 -1.13 119.66 119.99 3dp1 s GLN 140 Ca -0.16 -1.04 -0.01 0.00 0.02 0.00 0.00 55.36 54.17 3dp1 s GLN 140 Cb -0.17 -1.34 0.03 0.00 1.00 0.00 0.00 33.01 32.53 3dp1 s GLN 140 CO 0.07 0.32 -0.05 0.08 -2.12 0.00 0.00 175.29 173.60 3dp1 s VAL 141 N -1.03 0.88 -1.43 1.09 1.01 -0.41 0.07 120.40 120.58 3dp1 s VAL 141 Ca 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 3dp1 s VAL 141 Cb -0.09 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.34 3dp1 s VAL 141 CO 0.03 0.28 0.65 -0.67 0.00 0.00 0.00 175.10 175.38 3dp1 n ASP 142 N 4.98 -1.67 0.00 3.32 4.64 -1.26 -1.48 116.55 125.08 3dp1 n ASP 142 Ca -0.11 -0.91 0.00 0.00 -1.38 0.00 0.00 54.79 52.39 3dp1 n ASP 142 Cb 0.49 -3.49 0.00 0.00 -1.04 0.00 0.00 41.12 37.08 3dp1 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3dp1 n GLY 143 N -1.74 0.69 3.73 0.27 0.00 -1.26 -5.00 105.19 101.88 3dp1 n GLY 143 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 3dp1 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dp1 s LYS 144 N -0.33 3.03 -0.16 1.61 1.02 -0.55 -5.07 119.74 119.29 3dp1 s LYS 144 Ca 0.00 -0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.27 3dp1 s LYS 144 Cb 0.00 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.46 3dp1 s LYS 144 CO 0.00 0.69 1.23 0.08 -0.92 0.00 0.00 175.35 176.43 3dp1 s VAL 145 N -1.01 4.32 -0.22 3.17 1.01 -1.26 -1.29 120.40 125.12 3dp1 s VAL 145 Ca 0.17 1.61 0.15 0.00 0.00 0.00 0.00 61.98 63.91 3dp1 s VAL 145 Cb -0.12 -4.04 -0.21 0.00 0.00 0.00 0.00 36.38 32.01 3dp1 s VAL 145 CO 0.07 -0.12 0.42 1.33 0.00 0.00 0.00 175.10 176.79 3dp1 n VAL 146 N 5.26 0.00 -3.49 2.92 0.24 -0.28 -4.53 118.33 118.44 3dp1 n VAL 146 Ca 0.13 -0.29 -0.14 0.00 -2.04 0.00 0.00 64.34 62.00 3dp1 n VAL 146 Cb 0.45 0.40 -0.04 0.00 -1.47 0.00 0.00 33.84 33.18 3dp1 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dp1 s ALA 147 N -2.87 -1.74 0.06 2.33 0.00 -1.17 -1.09 121.76 117.29 3dp1 s ALA 147 Ca -0.02 1.05 0.03 0.00 0.00 0.00 0.00 51.96 53.01 3dp1 s ALA 147 Cb 0.10 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 3dp1 s ALA 147 CO 0.63 -0.53 -0.09 -1.21 0.00 0.00 0.00 175.76 174.56 3dp1 s GLU 148 N -2.23 0.67 -0.19 0.00 2.02 -0.34 -1.03 118.70 117.60 3dp1 s GLU 148 Ca -0.04 -0.95 -0.33 0.00 0.02 0.00 0.00 54.97 53.67 3dp1 s GLU 148 Cb -0.00 -0.38 0.15 0.00 0.10 0.00 0.00 34.13 33.99 3dp1 s GLU 148 CO -0.01 0.06 1.19 0.00 0.02 0.00 0.00 175.26 176.52 3dp1 s ALA 149 N -1.94 -2.05 -0.01 5.21 0.00 -0.92 -1.55 121.76 120.50 3dp1 s ALA 149 Ca -0.03 1.62 0.04 0.00 0.00 0.00 0.00 51.96 53.60 3dp1 s ALA 149 Cb -0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3dp1 s ALA 149 CO -0.00 -0.48 -0.13 -1.21 0.00 0.00 0.00 175.76 173.94 3dp1 s GLU 150 N -1.97 1.04 0.01 0.00 2.02 -0.46 -1.10 118.70 118.23 3dp1 s GLU 150 Ca 0.07 -0.45 -0.18 0.00 0.02 0.00 0.00 54.97 54.43 3dp1 s GLU 150 Cb -0.01 -1.00 0.04 0.00 0.10 0.00 0.00 34.13 33.25 3dp1 s GLU 150 CO -0.05 0.27 0.41 -0.48 0.02 0.00 0.00 175.26 175.43 3dp1 s LEU 151 N -0.27 0.44 -0.10 1.80 0.05 0.07 -0.47 118.68 120.19 3dp1 s LEU 151 Ca 0.04 0.11 0.03 0.00 0.05 0.00 0.00 54.13 54.36 3dp1 s LEU 151 Cb -0.05 1.67 0.01 0.00 -2.05 0.00 0.00 46.19 45.77 3dp1 s LEU 151 CO -0.00 -0.59 -0.21 -0.75 -0.55 0.00 0.00 176.35 174.25 3dp1 s LYS 152 N -1.96 2.74 0.26 1.48 2.20 -0.68 -1.20 119.74 122.58 3dp1 s LYS 152 Ca -0.09 -0.76 0.04 0.00 -0.36 0.00 0.00 55.97 54.80 3dp1 s LYS 152 Cb -0.02 -2.14 -0.06 0.00 -1.51 0.00 0.00 37.83 34.10 3dp1 s LYS 152 CO 0.01 0.09 -0.00 0.00 -0.36 0.00 0.00 175.35 175.09 3dp1 s ALA 153 N 0.57 2.05 -0.03 3.13 0.00 -0.32 -0.44 121.76 126.72 3dp1 s ALA 153 Ca -0.14 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 49.97 3dp1 s ALA 153 Cb -0.17 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.43 3dp1 s ALA 153 CO 0.05 -0.22 -0.03 1.41 0.00 0.00 0.00 175.76 176.97 3dp1 s MET 154 N -3.84 0.49 -0.13 0.00 1.75 0.40 -1.33 119.30 116.64 3dp1 s MET 154 Ca 0.30 -0.05 -0.20 0.00 -1.25 0.00 0.00 55.69 54.49 3dp1 s MET 154 Cb 0.06 -0.56 -0.04 0.00 2.84 0.00 0.00 34.83 37.13 3dp1 s MET 154 CO 0.11 -0.05 0.58 0.42 -0.65 0.00 0.00 175.02 175.43 3dp1 s ILE 155 N 0.66 5.10 0.11 10.11 1.01 -0.58 -0.06 121.20 137.54 3dp1 s ILE 155 Ca -0.07 1.16 0.05 0.00 0.00 0.00 0.00 60.65 61.79 3dp1 s ILE 155 Cb -0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3dp1 s ILE 155 CO -0.01 0.24 -0.13 0.00 0.00 0.00 0.00 174.94 175.05 3dp1 s ALA 156 N 1.08 1.36 0.13 9.38 0.00 -0.62 -4.77 121.76 128.31 3dp1 s ALA 156 Ca 0.30 -1.25 -0.31 0.00 0.00 0.00 0.00 51.96 50.70 3dp1 s ALA 156 Cb -0.16 -0.04 -0.10 0.00 0.00 0.00 0.00 23.12 22.82 3dp1 s ALA 156 CO 0.13 0.05 1.81 -1.21 0.00 0.00 0.00 175.76 176.54 3dp1 s GLU 157 N -2.70 4.14 0.00 0.00 0.41 -1.26 -1.69 118.70 117.60 3dp1 s GLU 157 Ca 0.07 2.58 0.00 0.00 -0.41 0.00 0.00 54.97 57.22 3dp1 s GLU 157 Cb -0.04 -3.56 0.00 0.00 -1.78 0.00 0.00 34.13 28.75 3dp1 s GLU 157 CO 0.02 -0.83 0.37 -2.13 -0.49 0.00 0.00 175.26 172.20