#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 3.16 -0.04 -1.46 -0.44 -1.26 -3.30 119.66 116.32 3dp1 s GLN 11 Ca 0.00 -0.74 0.04 0.00 -2.50 0.00 0.00 55.36 52.16 3dp1 s GLN 11 Cb 0.00 -2.75 -0.03 0.00 -1.64 0.00 0.00 33.01 28.60 3dp1 s GLN 11 CO 0.00 -0.19 -0.16 -0.06 0.50 0.00 0.00 175.29 175.38 3dp1 s PHE 12 N 1.32 2.65 0.43 1.67 0.40 -0.32 -4.98 117.98 119.16 3dp1 s PHE 12 Ca 0.04 -0.20 0.08 0.00 -0.60 0.00 0.00 56.93 56.25 3dp1 s PHE 12 Cb -0.14 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 3dp1 s PHE 12 CO -0.08 0.16 0.43 -0.06 0.70 0.00 0.00 175.22 176.37 3dp1 s PHE 13 N -0.72 2.65 0.32 0.36 0.40 -1.26 -0.85 117.98 118.87 3dp1 s PHE 13 Ca 0.11 -0.50 0.10 0.00 -0.60 0.00 0.00 56.93 56.05 3dp1 s PHE 13 Cb -0.11 -2.20 0.96 0.00 0.51 0.00 0.00 43.02 42.18 3dp1 s PHE 13 CO 0.00 -0.22 1.65 0.97 0.70 0.00 0.00 175.22 178.32 3dp1 h ILE 14 N 0.92 0.29 -0.64 0.64 6.09 -1.89 0.23 117.51 123.15 3dp1 h ILE 14 Ca -0.41 -0.09 0.06 0.00 -1.37 0.00 0.00 64.86 63.05 3dp1 h ILE 14 Cb 1.27 -0.01 -0.06 0.00 0.47 0.00 0.00 36.82 38.50 3dp1 h ILE 14 CO 0.54 0.05 0.35 1.05 -3.07 0.00 0.00 178.15 177.07 3dp1 h GLU 15 N 0.28 0.62 -0.17 2.19 4.11 -1.95 0.23 114.58 119.89 3dp1 h GLU 15 Ca 0.67 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 60.03 3dp1 h GLU 15 Cb 1.49 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 3dp1 h GLU 15 CO -0.63 0.41 -0.04 0.45 0.07 0.00 0.00 179.01 179.27 3dp1 h HIS 16 N 0.64 0.36 -0.65 2.06 3.86 -0.96 -3.12 115.15 117.34 3dp1 h HIS 16 Ca 0.29 -0.08 0.07 0.00 -1.16 0.00 0.00 60.37 59.49 3dp1 h HIS 16 Cb 0.20 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.53 3dp1 h HIS 16 CO -0.09 0.59 0.34 0.82 0.86 0.00 0.00 177.93 180.45 3dp1 h ILE 17 N 0.03 0.92 -0.13 2.45 2.04 -0.83 -0.57 117.51 121.41 3dp1 h ILE 17 Ca 0.04 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.73 3dp1 h ILE 17 Cb 0.47 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3dp1 h ILE 17 CO 0.02 0.11 0.16 -0.07 0.00 0.00 0.00 178.15 178.36 3dp1 h LEU 18 N 0.61 0.00 0.00 1.44 3.38 -0.90 -0.41 115.31 119.42 3dp1 h LEU 18 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3dp1 h LEU 18 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3dp1 h LEU 18 CO -0.21 0.00 -0.45 0.00 0.09 0.00 0.00 178.44 177.87 3dp1 n GLN 19 N -3.77 0.23 -0.10 1.13 6.02 -0.24 -4.35 117.38 116.30 3dp1 n GLN 19 Ca 0.00 0.09 -0.17 0.00 -0.01 0.00 0.00 57.00 56.91 3dp1 n GLN 19 Cb 0.27 -1.67 -0.08 0.00 1.02 0.00 0.00 30.24 29.78 3dp1 n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3dp1 n ILE 20 N -2.02 1.07 -3.16 5.09 2.08 -0.33 -4.46 119.36 117.62 3dp1 n ILE 20 Ca 0.04 -0.33 -0.39 0.00 0.56 0.00 0.00 62.75 62.63 3dp1 n ILE 20 Cb 0.42 -1.50 -0.06 0.00 -0.75 0.00 0.00 39.64 37.75 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 -6.64 4.54 0.25 1.39 1.43 -0.31 -4.87 118.68 114.46 3dp1 s LEU 21 Ca -0.26 1.38 0.26 0.00 -1.03 0.00 0.00 54.13 54.47 3dp1 s LEU 21 Cb 0.09 -3.04 0.74 0.00 0.03 0.00 0.00 46.19 44.01 3dp1 s LEU 21 CO 0.38 0.23 1.75 1.55 0.23 0.00 0.00 176.35 180.49 3dp1 h PRO 22 N 4.63 0.00 -6.95 1.29 0.13 -1.88 -3.44 132.00 125.78 3dp1 h PRO 22 Ca -0.48 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 3dp1 h PRO 22 Cb 1.21 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.45 3dp1 h PRO 22 CO 0.65 0.00 0.75 -1.01 -0.23 0.00 0.00 178.00 178.16 3dp1 s HIS 23 N -3.12 2.59 0.35 1.56 3.76 -1.26 -5.03 115.29 114.14 3dp1 s HIS 23 Ca 0.10 1.21 0.04 0.00 -0.15 0.00 0.00 55.06 56.27 3dp1 s HIS 23 Cb 0.11 -3.97 -0.03 0.00 1.11 0.00 0.00 32.58 29.80 3dp1 s HIS 23 CO 0.61 -2.88 0.18 1.03 -0.85 0.00 0.00 174.74 172.83 3dp1 s ARG 24 N -2.16 1.76 0.33 1.40 1.81 -1.26 -4.66 118.95 116.17 3dp1 s ARG 24 Ca 0.55 -2.04 -0.29 0.00 -1.72 0.00 0.00 55.73 52.23 3dp1 s ARG 24 Cb -0.45 -0.18 -0.12 0.00 -0.45 0.00 0.00 34.95 33.75 3dp1 s ARG 24 CO 0.60 -0.51 1.42 0.98 -0.68 0.00 0.00 175.30 177.12 3dp1 n TYR 25 N -0.72 2.58 -1.69 -0.53 9.36 -1.26 0.52 117.16 125.43 3dp1 n TYR 25 Ca 0.00 0.45 -0.35 0.00 3.32 0.00 0.00 57.90 61.32 3dp1 n TYR 25 Cb 0.64 -2.49 0.05 0.00 -0.63 0.00 0.00 39.34 36.92 3dp1 n TYR 25 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dp1 n PRO 26 N 1.05 2.86 -0.04 2.98 -0.04 -1.26 -4.92 135.00 135.64 3dp1 n PRO 26 Ca 0.05 -3.55 0.01 0.00 -0.04 0.00 0.00 63.50 59.98 3dp1 n PRO 26 Cb 0.36 -2.28 0.02 0.00 -0.04 0.00 0.00 33.50 31.56 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 -0.74 1.85 -3.11 0.54 2.81 0.18 -4.93 117.12 113.72 3dp1 n MET 27 Ca 0.56 -1.37 -0.44 0.00 -1.81 0.00 0.00 57.70 54.64 3dp1 n MET 27 Cb 0.55 -0.91 -0.05 0.00 -0.71 0.00 0.00 33.22 32.09 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 -0.94 5.26 -0.43 4.03 2.96 -0.98 -4.67 118.68 123.92 3dp1 s LEU 28 Ca 0.04 -1.30 0.05 0.00 -0.22 0.00 0.00 54.13 52.70 3dp1 s LEU 28 Cb 0.04 -2.34 0.62 0.00 0.50 0.00 0.00 46.19 45.01 3dp1 s LEU 28 CO 0.00 -1.07 1.82 0.18 -1.32 0.00 0.00 176.35 175.96 3dp1 n LEU 29 N 6.34 6.21 -3.81 -0.68 4.77 -1.26 -4.87 117.00 123.70 3dp1 n LEU 29 Ca -0.09 -3.70 -0.23 0.00 -0.03 0.00 0.00 56.01 51.96 3dp1 n LEU 29 Cb 0.43 -0.80 -0.17 0.00 -2.33 0.00 0.00 43.42 40.55 3dp1 n LEU 29 CO 0.58 1.14 -0.40 -0.69 -1.33 0.00 0.00 177.39 176.69 3dp1 s VAL 30 N -3.39 0.50 -0.11 4.08 1.01 -1.26 -4.63 120.40 116.59 3dp1 s VAL 30 Ca 0.55 0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.66 3dp1 s VAL 30 Cb 0.47 -0.61 -0.24 0.00 0.00 0.00 0.00 36.38 36.00 3dp1 s VAL 30 CO 0.08 0.27 0.40 0.47 0.00 0.00 0.00 175.10 176.32 3dp1 n ASP 31 N 4.92 0.83 -3.54 3.32 8.00 -0.11 -4.94 116.55 125.03 3dp1 n ASP 31 Ca -0.11 0.24 -0.16 0.00 0.71 0.00 0.00 54.79 55.46 3dp1 n ASP 31 Cb 0.50 0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.67 3dp1 n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3dp1 s ARG 32 N -2.56 0.97 -0.25 -1.24 3.52 -0.90 -2.91 118.95 115.58 3dp1 s ARG 32 Ca -0.10 0.36 -0.05 0.00 -0.13 0.00 0.00 55.73 55.81 3dp1 s ARG 32 Cb 0.07 0.46 0.00 0.00 -1.56 0.00 0.00 34.95 33.92 3dp1 s ARG 32 CO 0.81 -0.28 0.01 0.42 -0.81 0.00 0.00 175.30 175.45 3dp1 s ILE 33 N -0.94 3.58 0.01 4.11 1.01 -0.03 -1.07 121.20 127.86 3dp1 s ILE 33 Ca -0.08 -0.63 0.09 0.00 0.00 0.00 0.00 60.65 60.03 3dp1 s ILE 33 Cb -0.01 -2.75 -0.23 0.00 0.01 0.00 0.00 42.46 39.49 3dp1 s ILE 33 CO 0.08 0.25 0.85 0.71 0.00 0.00 0.00 174.94 176.82 3dp1 h THR 34 N 5.83 1.11 -2.71 2.92 1.35 -1.43 -0.83 112.91 119.15 3dp1 h THR 34 Ca -0.36 -2.91 -0.05 0.00 -0.55 0.00 0.00 66.41 62.54 3dp1 h THR 34 Cb 1.14 2.57 -0.16 0.00 -1.73 0.00 0.00 68.15 69.97 3dp1 h THR 34 CO 0.59 0.66 0.08 -1.83 -0.25 0.00 0.00 175.52 174.78 3dp1 s GLU 35 N -2.63 1.07 -0.29 4.72 -1.05 -0.96 -4.49 118.70 115.07 3dp1 s GLU 35 Ca -0.04 -0.21 -0.14 0.00 -0.15 0.00 0.00 54.97 54.44 3dp1 s GLU 35 Cb 0.08 0.49 0.10 0.00 -0.44 0.00 0.00 34.13 34.37 3dp1 s GLU 35 CO 0.82 -0.39 0.69 -1.17 0.95 0.00 0.00 175.26 176.16 3dp1 s LEU 36 N -1.98 -1.01 -0.23 1.83 2.96 -1.25 -1.40 118.68 117.60 3dp1 s LEU 36 Ca -0.05 1.51 0.02 0.00 -0.22 0.00 0.00 54.13 55.39 3dp1 s LEU 36 Cb -0.01 2.33 0.04 0.00 0.50 0.00 0.00 46.19 49.05 3dp1 s LEU 36 CO -0.02 -0.23 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.56 3dp1 s GLN 37 N 2.14 2.55 0.17 1.98 -0.21 0.54 -4.92 119.66 121.91 3dp1 s GLN 37 Ca -0.08 -1.14 -0.33 0.00 0.02 0.00 0.00 55.36 53.82 3dp1 s GLN 37 Cb -0.08 -2.81 -0.16 0.00 1.00 0.00 0.00 33.01 30.97 3dp1 s GLN 37 CO -0.19 -0.44 1.17 0.00 -2.12 0.00 0.00 175.29 173.71 3dp1 n ALA 38 N 4.52 -0.76 -0.72 6.09 0.00 -1.26 -0.94 120.51 127.44 3dp1 n ALA 38 Ca -0.16 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3dp1 n ALA 38 Cb 0.45 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 2.04 -1.54 0.03 0.00 5.03 -1.26 -4.73 115.26 114.82 3dp1 n ASN 39 Ca 0.15 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.60 3dp1 n ASN 39 Cb 0.24 -2.20 0.00 0.00 -1.02 0.00 0.00 39.78 36.81 3dp1 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dp1 n GLN 40 N -1.39 0.00 -3.85 3.52 1.13 -0.11 -4.60 117.38 112.08 3dp1 n GLN 40 Ca 0.00 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.99 3dp1 n GLN 40 Cb 0.11 -0.22 -0.02 0.00 0.11 0.00 0.00 30.24 30.23 3dp1 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3dp1 s LYS 41 N -1.49 1.77 -0.04 -1.09 -2.85 -0.58 -0.26 119.74 115.20 3dp1 s LYS 41 Ca 0.00 -0.98 -0.09 0.00 -1.00 0.00 0.00 55.97 53.91 3dp1 s LYS 41 Cb 0.00 0.61 0.01 0.00 -2.06 0.00 0.00 37.83 36.39 3dp1 s LYS 41 CO 0.00 -0.81 0.20 -1.50 0.10 0.00 0.00 175.35 173.34 3dp1 s ILE 42 N -3.91 0.04 -0.09 3.79 2.07 -0.52 -0.34 121.20 122.25 3dp1 s ILE 42 Ca 0.11 -0.36 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 3dp1 s ILE 42 Cb -0.06 -0.41 0.02 0.00 0.13 0.00 0.00 42.46 42.14 3dp1 s ILE 42 CO 0.07 -0.20 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.10 3dp1 s VAL 43 N -0.74 1.15 0.27 4.00 1.01 -0.50 -2.25 120.40 123.35 3dp1 s VAL 43 Ca -0.08 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3dp1 s VAL 43 Cb -0.05 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3dp1 s VAL 43 CO 0.01 0.37 0.37 0.00 0.00 0.00 0.00 175.10 175.85 3dp1 s ALA 44 N 1.10 0.62 0.18 5.51 0.00 -0.25 -1.31 121.76 127.61 3dp1 s ALA 44 Ca -0.06 -1.39 -0.18 0.00 0.00 0.00 0.00 51.96 50.33 3dp1 s ALA 44 Cb -0.14 1.21 0.03 0.00 0.00 0.00 0.00 23.12 24.22 3dp1 s ALA 44 CO -0.02 -0.75 0.52 1.52 0.00 0.00 0.00 175.76 177.03 3dp1 s TYR 45 N -3.71 -0.19 -0.03 0.00 1.13 -0.23 0.22 117.35 114.54 3dp1 s TYR 45 Ca 0.31 -0.13 0.01 0.00 -1.41 0.00 0.00 57.07 55.85 3dp1 s TYR 45 Cb 0.02 0.40 0.02 0.00 -1.10 0.00 0.00 41.96 41.29 3dp1 s TYR 45 CO 0.15 -0.88 -0.05 0.21 -2.51 0.00 0.00 175.55 172.47 3dp1 s LYS 46 N -3.85 0.72 0.23 -3.49 2.20 0.02 -0.94 119.74 114.64 3dp1 s LYS 46 Ca 0.07 -0.12 -0.27 0.00 -0.36 0.00 0.00 55.97 55.29 3dp1 s LYS 46 Cb -0.01 -0.73 -0.09 0.00 -1.51 0.00 0.00 37.83 35.50 3dp1 s LYS 46 CO -0.06 -0.03 0.88 -0.80 -0.36 0.00 0.00 175.35 174.98 3dp1 s ASN 47 N 0.66 7.48 -0.21 1.43 0.01 -1.26 -0.96 114.94 122.10 3dp1 s ASN 47 Ca -0.09 1.81 -0.06 0.00 -0.71 0.00 0.00 52.86 53.81 3dp1 s ASN 47 Cb -0.12 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 3dp1 s ASN 47 CO 0.00 0.12 0.03 -0.63 -1.51 0.00 0.00 177.10 175.11 3dp1 s ILE 48 N -1.28 4.16 0.06 0.60 -1.09 -0.04 -4.92 121.20 118.70 3dp1 s ILE 48 Ca 0.41 -0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.63 3dp1 s ILE 48 Cb -0.23 -2.89 -0.03 0.00 -1.58 0.00 0.00 42.46 37.72 3dp1 s ILE 48 CO 0.28 0.41 -0.10 0.28 -1.23 0.00 0.00 174.94 174.58 3dp1 s THR 49 N 1.04 0.81 0.50 2.92 -1.32 -1.26 0.27 115.64 118.60 3dp1 s THR 49 Ca 0.03 -1.30 0.19 0.00 -1.21 0.00 0.00 61.69 59.40 3dp1 s THR 49 Cb -0.14 -0.95 0.26 0.00 -1.51 0.00 0.00 72.50 70.16 3dp1 s THR 49 CO 0.02 -0.39 2.11 0.15 -2.21 0.00 0.00 174.62 174.31 3dp1 h PHE 50 N 4.18 0.00 0.00 9.09 3.57 -1.95 -3.14 116.94 128.69 3dp1 h PHE 50 Ca -0.38 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.12 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 0.64 0.07 0.00 -1.71 -2.23 0.00 0.00 178.31 175.08 3dp1 n ASN 51 N -4.28 2.08 -4.30 0.41 4.05 -1.26 -4.73 115.26 107.23 3dp1 n ASN 51 Ca -0.03 -1.37 -0.32 0.00 0.45 0.00 0.00 54.58 53.31 3dp1 n ASN 51 Cb 0.15 -0.41 -0.16 0.00 1.23 0.00 0.00 39.78 40.59 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 0.81 2.98 0.33 1.20 2.02 -1.19 -5.02 118.70 119.83 3dp1 s GLU 52 Ca 0.00 -0.81 0.10 0.00 0.02 0.00 0.00 54.97 54.28 3dp1 s GLU 52 Cb 0.00 -2.38 0.86 0.00 0.10 0.00 0.00 34.13 32.71 3dp1 s GLU 52 CO 0.00 0.28 1.77 0.22 0.02 0.00 0.00 175.26 177.55 3dp1 h ASP 53 N 6.42 0.68 -0.96 -0.19 -0.00 -1.93 -1.60 116.42 118.83 3dp1 h ASP 53 Ca -0.27 0.10 0.22 0.00 -0.00 0.00 0.00 57.03 57.08 3dp1 h ASP 53 Cb 1.21 -0.02 -0.08 0.00 -0.00 0.00 0.00 39.33 40.44 3dp1 h ASP 53 CO 0.50 0.20 0.63 1.62 -0.00 0.00 0.00 179.24 182.19 3dp1 h VAL 54 N 0.64 0.63 0.00 2.25 3.04 -1.95 -1.08 116.25 119.77 3dp1 h VAL 54 Ca 0.59 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 66.12 3dp1 h VAL 54 Cb 1.09 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 3dp1 h VAL 54 CO -0.37 0.08 0.00 0.49 -1.01 0.00 0.00 177.57 176.76 3dp1 n PHE 55 N -4.57 0.55 0.17 3.17 0.99 -0.60 -2.19 117.46 114.98 3dp1 n PHE 55 Ca 0.22 0.23 0.04 0.00 -0.00 0.00 0.00 57.45 57.94 3dp1 n PHE 55 Cb 0.75 -0.87 0.43 0.00 -1.00 0.00 0.00 39.48 38.79 3dp1 n PHE 55 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3dp1 h ASN 56 N 0.00 0.10 0.00 4.37 2.35 -1.36 -3.26 115.58 117.78 3dp1 h ASN 56 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3dp1 h ASN 56 Cb 0.26 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3dp1 h ASN 56 CO 0.00 0.30 0.00 0.61 -1.65 0.00 0.00 177.43 176.69 3dp1 n GLY 57 N -0.89 1.24 2.31 2.83 0.00 -0.93 -4.15 105.19 105.60 3dp1 n GLY 57 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.31 -0.97 -4.28 1.61 -0.00 -1.05 -4.51 115.22 105.70 3dp1 n HIS 58 Ca 0.00 -3.20 -0.15 0.00 -0.00 0.00 0.00 57.72 54.37 3dp1 n HIS 58 Cb 0.19 0.05 -0.10 0.00 -0.00 0.00 0.00 29.99 30.13 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 -0.73 1.39 0.19 1.57 0.08 0.50 -0.94 117.98 120.04 3dp1 s PHE 59 Ca 0.34 -0.82 -0.33 0.00 0.12 0.00 0.00 56.93 56.24 3dp1 s PHE 59 Cb 0.17 -0.75 -0.13 0.00 -0.57 0.00 0.00 43.02 41.74 3dp1 s PHE 59 CO -0.14 0.04 1.63 -2.30 -0.10 0.00 0.00 175.22 174.35 3dp1 n PRO 60 N -0.29 2.43 -0.83 0.24 -0.02 -1.26 -0.90 135.00 134.37 3dp1 n PRO 60 Ca -0.08 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3dp1 n PRO 60 Cb 0.62 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 3.50 -0.94 -2.98 2.55 4.13 -1.26 -4.87 115.26 115.39 3dp1 n ASN 61 Ca 0.16 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.37 3dp1 n ASN 61 Cb 0.32 -1.24 -0.01 0.00 -1.54 0.00 0.00 39.78 37.31 3dp1 n ASN 61 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3dp1 s LYS 62 N -0.53 0.96 -0.30 3.52 2.20 -0.07 -5.13 119.74 120.39 3dp1 s LYS 62 Ca 0.00 -0.85 -0.29 0.00 -0.36 0.00 0.00 55.97 54.47 3dp1 s LYS 62 Cb 0.00 -0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.18 3dp1 s LYS 62 CO 0.00 -1.28 1.61 -1.25 -0.36 0.00 0.00 175.35 174.07 3dp1 s PRO 63 N 1.18 3.61 -0.11 4.03 0.04 -1.22 -0.37 135.00 142.16 3dp1 s PRO 63 Ca 0.25 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 62.69 3dp1 s PRO 63 Cb -0.02 -4.07 0.02 0.00 0.04 0.00 0.00 34.50 30.47 3dp1 s PRO 63 CO -0.06 -1.52 -0.08 0.42 0.04 0.00 0.00 177.00 175.80 3dp1 s ILE 64 N 5.73 1.01 0.10 0.56 1.01 -0.11 -4.53 121.20 124.97 3dp1 s ILE 64 Ca 0.71 -0.28 -0.31 0.00 0.00 0.00 0.00 60.65 60.77 3dp1 s ILE 64 Cb -0.21 -1.03 -0.10 0.00 0.01 0.00 0.00 42.46 41.14 3dp1 s ILE 64 CO 0.31 0.36 1.77 0.12 0.00 0.00 0.00 174.94 177.51 3dp1 s PHE 65 N 1.66 2.21 0.21 3.97 5.36 -0.22 -4.57 117.98 126.60 3dp1 s PHE 65 Ca 0.04 0.08 -0.32 0.00 -0.96 0.00 0.00 56.93 55.77 3dp1 s PHE 65 Cb -0.13 -4.11 -0.14 0.00 -0.34 0.00 0.00 43.02 38.30 3dp1 s PHE 65 CO -0.08 -4.55 1.26 -2.30 -1.46 0.00 0.00 175.22 168.09 3dp1 n PRO 66 N 5.73 1.57 -0.12 10.12 -0.02 -1.26 -4.61 135.00 146.41 3dp1 n PRO 66 Ca 0.17 0.56 -0.02 0.00 -2.02 0.00 0.00 63.50 62.19 3dp1 n PRO 66 Cb 0.39 -2.11 0.21 0.00 -0.02 0.00 0.00 33.50 31.97 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 3.60 0.85 2.00 -1.23 0.00 -1.99 -1.98 103.07 104.32 3dp1 h GLY 67 Ca -0.44 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.36 3dp1 h GLY 67 CO 0.71 0.45 -0.23 -0.39 0.00 0.00 0.00 176.54 177.09 3dp1 h VAL 68 N 0.77 0.86 0.00 4.60 -1.51 -2.00 -1.58 116.25 117.39 3dp1 h VAL 68 Ca 0.17 -0.89 -0.06 0.00 -1.23 0.00 0.00 66.70 64.70 3dp1 h VAL 68 Cb 0.28 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 3dp1 h VAL 68 CO -0.00 0.22 -0.29 -0.07 -1.23 0.00 0.00 177.57 176.20 3dp1 h LEU 69 N 0.00 0.00 -0.35 4.19 3.38 -1.74 -0.69 115.31 120.09 3dp1 h LEU 69 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3dp1 h LEU 69 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3dp1 h LEU 69 CO 0.03 0.27 -0.17 0.40 0.09 0.00 0.00 178.44 179.06 3dp1 h ILE 70 N 0.00 1.29 -0.48 1.22 2.04 -0.75 -1.10 117.51 119.72 3dp1 h ILE 70 Ca -0.00 -1.28 -0.09 0.00 1.00 0.00 0.00 64.86 64.48 3dp1 h ILE 70 Cb 1.21 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 3dp1 h ILE 70 CO 0.03 0.42 -0.08 0.58 0.00 0.00 0.00 178.15 179.10 3dp1 h VAL 71 N 0.52 1.26 -0.39 1.67 2.07 -1.29 -2.09 116.25 118.00 3dp1 h VAL 71 Ca 0.08 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 3dp1 h VAL 71 Cb 0.71 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3dp1 h VAL 71 CO 0.05 0.40 0.01 -0.08 0.02 0.00 0.00 177.57 177.97 3dp1 h GLU 72 N 0.77 0.62 -0.20 1.57 4.57 -0.90 -0.99 114.58 120.02 3dp1 h GLU 72 Ca 0.13 -0.14 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 3dp1 h GLU 72 Cb 0.58 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 3dp1 h GLU 72 CO 0.04 0.63 -0.43 0.78 -1.18 0.00 0.00 179.01 178.85 3dp1 h GLY 73 N 0.89 0.51 1.23 1.92 0.00 -0.77 -1.17 103.07 105.68 3dp1 h GLY 73 Ca 0.12 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 3dp1 h GLY 73 CO 0.01 0.47 -0.47 -0.33 0.00 0.00 0.00 176.54 176.22 3dp1 h MET 74 N 0.39 0.83 0.14 4.80 2.86 -0.93 -2.04 114.93 120.97 3dp1 h MET 74 Ca 0.03 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 3dp1 h MET 74 Cb 0.91 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.61 3dp1 h MET 74 CO 0.08 1.11 -0.07 0.00 1.06 0.00 0.00 176.91 179.09 3dp1 h ALA 75 N 0.80 -0.19 -0.90 6.32 0.00 -0.99 0.21 119.26 124.51 3dp1 h ALA 75 Ca 0.03 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3dp1 h ALA 75 Cb 1.06 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 3dp1 h ALA 75 CO 0.11 -0.59 0.57 1.96 0.00 0.00 0.00 179.25 181.30 3dp1 h GLN 76 N -0.23 1.02 -0.38 0.00 4.20 -1.19 0.37 115.11 118.90 3dp1 h GLN 76 Ca -0.02 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3dp1 h GLN 76 Cb 0.18 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3dp1 h GLN 76 CO 0.03 0.67 0.13 0.77 -0.67 0.00 0.00 178.83 179.76 3dp1 h SER 77 N 1.05 0.54 -0.73 1.46 0.02 -0.98 -0.97 113.55 113.94 3dp1 h SER 77 Ca 0.39 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3dp1 h SER 77 Cb 0.15 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3dp1 h SER 77 CO -0.17 0.59 0.35 1.23 -1.14 0.00 0.00 176.83 177.70 3dp1 h GLY 78 N 0.46 1.15 1.05 -3.77 0.00 0.38 -1.00 103.07 101.35 3dp1 h GLY 78 Ca 0.12 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.77 3dp1 h GLY 78 CO -0.01 0.54 -0.13 -1.33 0.00 0.00 0.00 176.54 175.62 3dp1 h GLY 79 N 1.11 1.01 1.06 4.60 0.00 -0.07 -1.01 103.07 109.77 3dp1 h GLY 79 Ca 0.26 -0.84 0.01 0.00 0.00 0.00 0.00 47.33 46.75 3dp1 h GLY 79 CO -0.03 0.77 0.61 -2.75 0.00 0.00 0.00 176.54 175.14 3dp1 h PHE 80 N 0.78 1.20 0.76 5.60 3.57 -0.75 -0.23 116.94 127.87 3dp1 h PHE 80 Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3dp1 h PHE 80 Cb 0.69 -0.40 0.01 0.00 2.79 0.00 0.00 35.95 39.03 3dp1 h PHE 80 CO 0.05 0.77 -0.36 1.25 -2.23 0.00 0.00 178.31 177.78 3dp1 h LEU 81 N 1.29 -0.86 -0.82 0.59 5.85 -0.83 -1.28 115.31 119.24 3dp1 h LEU 81 Ca 0.34 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.16 3dp1 h LEU 81 Cb -0.12 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3dp1 h LEU 81 CO -0.07 -0.57 0.48 0.00 -0.34 0.00 0.00 178.44 177.93 3dp1 h ALA 82 N -0.89 1.15 0.20 1.25 0.00 -0.95 -0.57 119.26 119.45 3dp1 h ALA 82 Ca -0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3dp1 h ALA 82 Cb 0.79 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3dp1 h ALA 82 CO 0.17 0.15 -0.10 0.35 0.00 0.00 0.00 179.25 179.82 3dp1 h PHE 83 N 0.83 -0.25 0.00 0.00 3.57 -0.98 -3.11 116.94 117.01 3dp1 h PHE 83 Ca 0.38 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.81 3dp1 h PHE 83 Cb 0.29 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3dp1 h PHE 83 CO -0.05 0.03 -0.29 1.79 -2.23 0.00 0.00 178.31 177.56 3dp1 h THR 84 N -0.52 1.07 -0.58 4.41 1.35 -1.02 -0.94 112.91 116.69 3dp1 h THR 84 Ca -0.03 -1.04 0.02 0.00 -0.55 0.00 0.00 66.41 64.82 3dp1 h THR 84 Cb 0.39 1.58 -0.04 0.00 -1.73 0.00 0.00 68.15 68.35 3dp1 h THR 84 CO 0.04 0.28 0.36 0.28 -0.25 0.00 0.00 175.52 176.24 3dp1 h SER 85 N 0.00 0.58 0.26 5.36 0.02 -1.06 1.03 113.55 119.74 3dp1 h SER 85 Ca -0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 3dp1 h SER 85 Cb 0.56 -0.12 0.03 0.00 0.14 0.00 0.00 62.40 63.00 3dp1 h SER 85 CO 0.04 0.41 -1.57 -0.07 -1.14 0.00 0.00 176.83 174.50 3dp1 h LEU 86 N 0.71 0.74 -0.72 5.07 3.38 -1.43 -3.41 115.31 119.65 3dp1 h LEU 86 Ca 0.23 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.31 3dp1 h LEU 86 Cb 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3dp1 h LEU 86 CO -0.09 1.72 -0.00 0.79 0.09 0.00 0.00 178.44 180.94 3dp1 n TRP 87 N -3.66 0.00 -4.77 1.13 8.01 -0.38 -5.13 117.44 112.65 3dp1 n TRP 87 Ca -0.19 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.00 3dp1 n TRP 87 Cb 1.09 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.39 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 0.31 -0.03 3.56 6.99 0.00 0.36 -4.08 105.19 112.30 3dp1 n GLY 88 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 2.70 -0.48 1.61 5.36 -1.26 -4.40 117.98 121.51 3dp1 s PHE 89 Ca 0.00 -1.25 0.03 0.00 -0.96 0.00 0.00 56.93 54.75 3dp1 s PHE 89 Cb 0.00 -4.69 0.14 0.00 -0.34 0.00 0.00 43.02 38.13 3dp1 s PHE 89 CO 0.00 -1.84 0.26 0.34 -1.46 0.00 0.00 175.22 172.52 3dp1 s ASP 90 N 4.51 3.95 0.27 6.13 -1.08 -1.26 -4.97 116.67 124.22 3dp1 s ASP 90 Ca 0.49 -2.85 -0.01 0.00 -0.52 0.00 0.00 52.55 49.65 3dp1 s ASP 90 Cb 0.01 -1.31 0.50 0.00 -1.46 0.00 0.00 42.92 40.67 3dp1 s ASP 90 CO -0.02 -0.24 1.81 -0.65 0.52 0.00 0.00 175.17 176.59 3dp1 h PRO 91 N 6.55 0.81 0.00 4.34 0.11 -1.90 -0.04 132.00 141.88 3dp1 h PRO 91 Ca -0.03 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3dp1 h PRO 91 Cb 0.90 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3dp1 h PRO 91 CO 0.58 0.54 -0.00 1.49 -0.21 0.00 0.00 178.00 180.39 3dp1 h GLU 92 N 0.83 -0.00 -0.21 1.05 4.81 -1.93 -2.62 114.58 116.51 3dp1 h GLU 92 Ca 0.46 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.59 3dp1 h GLU 92 Cb 0.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3dp1 h GLU 92 CO -0.28 0.05 -0.27 0.82 -0.73 0.00 0.00 179.01 178.60 3dp1 h ILE 93 N -0.05 1.27 -0.93 2.32 1.08 -1.89 -3.06 117.51 116.25 3dp1 h ILE 93 Ca -0.00 -1.28 0.15 0.00 -0.39 0.00 0.00 64.86 63.34 3dp1 h ILE 93 Cb 0.05 1.40 -0.08 0.00 -3.07 0.00 0.00 36.82 35.13 3dp1 h ILE 93 CO 0.00 0.40 0.59 0.00 -0.69 0.00 0.00 178.15 178.45 3dp1 h ALA 94 N 1.35 1.79 0.00 1.87 0.00 -0.64 -0.49 119.26 123.14 3dp1 h ALA 94 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dp1 h ALA 94 Cb 0.67 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3dp1 h ALA 94 CO 0.05 -0.05 0.00 0.87 0.00 0.00 0.00 179.25 180.12 3dp1 h LYS 95 N 0.73 0.00 -0.01 0.00 1.57 -1.40 -2.57 116.57 114.89 3dp1 h LYS 95 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3dp1 h LYS 95 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3dp1 h LYS 95 CO -0.24 0.00 -0.26 0.25 -0.57 0.00 0.00 179.45 178.63 3dp1 n THR 96 N -2.92 0.00 -4.42 -0.16 -2.24 -0.21 -4.70 114.28 99.63 3dp1 n THR 96 Ca 0.01 -0.18 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 3dp1 n THR 96 Cb 0.31 0.61 -0.12 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.42 1.52 -0.04 -0.78 3.01 -0.97 0.02 119.74 120.08 3dp1 s LYS 97 Ca 0.25 -1.53 -0.02 0.00 -1.01 0.00 0.00 55.97 53.66 3dp1 s LYS 97 Cb 0.19 -1.85 0.03 0.00 -1.01 0.00 0.00 37.83 35.20 3dp1 s LYS 97 CO 0.50 0.40 0.07 -1.50 0.51 0.00 0.00 175.35 175.33 3dp1 s ILE 98 N -1.68 -0.12 -0.39 2.17 1.10 0.13 -4.54 121.20 117.87 3dp1 s ILE 98 Ca 0.21 0.39 -0.13 0.00 -0.51 0.00 0.00 60.65 60.61 3dp1 s ILE 98 Cb -0.08 -0.16 0.02 0.00 0.15 0.00 0.00 42.46 42.39 3dp1 s ILE 98 CO 0.10 0.16 0.26 -0.69 -2.11 0.00 0.00 174.94 172.66 3dp1 s VAL 99 N 2.02 5.00 0.20 4.00 1.01 -1.26 -1.26 120.40 130.11 3dp1 s VAL 99 Ca 0.03 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.44 3dp1 s VAL 99 Cb -0.12 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3dp1 s VAL 99 CO -0.03 -0.23 -0.16 -0.72 0.00 0.00 0.00 175.10 173.95 3dp1 s TYR 100 N 1.64 2.46 -0.19 5.22 -0.85 -0.99 -4.97 117.35 119.68 3dp1 s TYR 100 Ca 0.04 -0.29 -0.13 0.00 -0.52 0.00 0.00 57.07 56.17 3dp1 s TYR 100 Cb -0.19 -1.20 -0.05 0.00 0.38 0.00 0.00 41.96 40.91 3dp1 s TYR 100 CO 0.09 0.53 0.25 -0.06 -1.52 0.00 0.00 175.55 174.83 3dp1 s PHE 101 N -1.77 3.42 -0.13 -3.49 0.40 -1.26 -1.30 117.98 113.83 3dp1 s PHE 101 Ca 0.24 0.48 -0.18 0.00 -0.60 0.00 0.00 56.93 56.87 3dp1 s PHE 101 Cb -0.08 -2.31 -0.25 0.00 0.51 0.00 0.00 43.02 40.89 3dp1 s PHE 101 CO 0.13 0.19 0.48 0.52 0.70 0.00 0.00 175.22 177.24 3dp1 h MET 102 N 6.89 0.16 -4.38 0.44 2.86 -1.48 -3.49 114.93 115.93 3dp1 h MET 102 Ca -0.40 -0.27 -0.18 0.00 -2.06 0.00 0.00 59.70 56.79 3dp1 h MET 102 Cb 1.16 0.10 -0.15 0.00 0.06 0.00 0.00 31.60 32.77 3dp1 h MET 102 CO 0.74 1.13 -0.63 0.95 1.06 0.00 0.00 176.91 180.16 3dp1 s THR 103 N -2.43 0.10 -0.12 2.22 -4.23 -1.17 -5.02 115.64 105.00 3dp1 s THR 103 Ca -0.22 -1.87 -0.08 0.00 -1.18 0.00 0.00 61.69 58.34 3dp1 s THR 103 Cb 0.04 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.91 3dp1 s THR 103 CO 0.71 -0.47 0.29 -0.63 -0.54 0.00 0.00 174.62 173.98 3dp1 s ILE 104 N -4.04 -0.02 0.19 2.99 1.01 -1.26 -1.91 121.20 118.16 3dp1 s ILE 104 Ca 0.23 0.08 -0.13 0.00 0.00 0.00 0.00 60.65 60.84 3dp1 s ILE 104 Cb 0.07 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 42.12 3dp1 s ILE 104 CO 0.01 0.03 0.41 -0.62 0.00 0.00 0.00 174.94 174.78 3dp1 s ASP 105 N 0.87 -0.09 -1.50 3.58 2.15 0.43 -4.94 116.67 117.18 3dp1 s ASP 105 Ca -0.06 -0.76 -0.06 0.00 0.43 0.00 0.00 52.55 52.11 3dp1 s ASP 105 Cb -0.07 0.52 0.02 0.00 -0.30 0.00 0.00 42.92 43.09 3dp1 s ASP 105 CO -0.06 -1.01 0.59 0.29 -0.17 0.00 0.00 175.17 174.82 3dp1 n LYS 106 N -0.30 -4.65 -2.84 4.34 4.76 -1.26 -0.41 118.16 117.81 3dp1 n LYS 106 Ca -0.07 0.82 -0.41 0.00 -2.87 0.00 0.00 58.31 55.79 3dp1 n LYS 106 Cb 0.63 -5.66 -0.05 0.00 -1.84 0.00 0.00 35.03 28.11 3dp1 n LYS 106 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3dp1 s VAL 107 N -3.13 4.64 -0.06 -0.18 1.01 -1.26 -3.74 120.40 117.68 3dp1 s VAL 107 Ca 0.33 1.88 -0.02 0.00 0.00 0.00 0.00 61.98 64.16 3dp1 s VAL 107 Cb -0.15 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.03 3dp1 s VAL 107 CO 0.40 0.32 0.13 -0.54 0.00 0.00 0.00 175.10 175.41 3dp1 s LYS 108 N 0.08 0.07 -0.20 2.72 1.02 -0.49 -4.97 119.74 117.97 3dp1 s LYS 108 Ca 0.44 0.34 -0.05 0.00 0.02 0.00 0.00 55.97 56.71 3dp1 s LYS 108 Cb -0.22 -0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 36.88 3dp1 s LYS 108 CO 0.27 -0.16 0.00 -0.06 -0.92 0.00 0.00 175.35 174.48 3dp1 s PHE 109 N 1.12 3.05 -0.10 3.18 0.40 -1.26 -1.56 117.98 122.81 3dp1 s PHE 109 Ca -0.09 -0.41 0.03 0.00 -0.60 0.00 0.00 56.93 55.86 3dp1 s PHE 109 Cb -0.11 -2.08 -0.08 0.00 0.51 0.00 0.00 43.02 41.26 3dp1 s PHE 109 CO -0.05 -0.20 -0.06 0.54 0.70 0.00 0.00 175.22 176.15 3dp1 n ARG 110 N 4.16 1.04 -4.07 0.44 1.74 -0.03 -4.99 116.66 114.94 3dp1 n ARG 110 Ca -0.17 0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 56.79 3dp1 n ARG 110 Cb 0.52 -1.22 -0.15 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.21 0.32 0.34 0.55 1.01 -1.08 -5.03 121.20 115.10 3dp1 s ILE 111 Ca -0.11 -0.11 -0.27 0.00 0.00 0.00 0.00 60.65 60.16 3dp1 s ILE 111 Cb 0.03 -0.32 -0.09 0.00 0.01 0.00 0.00 42.46 42.09 3dp1 s ILE 111 CO 0.28 0.12 1.15 -2.16 0.00 0.00 0.00 174.94 174.33 3dp1 s PRO 112 N 0.30 4.36 -0.16 2.79 0.04 -1.26 -4.79 135.00 136.28 3dp1 s PRO 112 Ca -0.03 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 3dp1 s PRO 112 Cb -0.06 -2.93 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 3dp1 s PRO 112 CO -0.00 -0.05 0.19 0.08 0.04 0.00 0.00 177.00 177.25 3dp1 s VAL 113 N -1.30 5.38 0.25 -0.36 1.01 -1.26 -5.03 120.40 119.09 3dp1 s VAL 113 Ca 0.51 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.84 3dp1 s VAL 113 Cb -0.31 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3dp1 s VAL 113 CO 0.40 0.47 0.04 0.42 0.00 0.00 0.00 175.10 176.44 3dp1 s THR 114 N 0.02 0.85 0.17 3.92 -4.23 -1.26 -1.05 115.64 114.05 3dp1 s THR 114 Ca 0.13 -2.01 -0.33 0.00 -1.18 0.00 0.00 61.69 58.29 3dp1 s THR 114 Cb -0.12 -2.49 -0.14 0.00 1.34 0.00 0.00 72.50 71.09 3dp1 s THR 114 CO 0.02 -0.18 1.53 -2.65 -0.54 0.00 0.00 174.62 172.80 3dp1 n PRO 115 N -0.45 2.07 0.00 3.99 -0.02 -1.26 -1.54 135.00 137.78 3dp1 n PRO 115 Ca -0.03 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3dp1 n PRO 115 Cb 0.65 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 3.09 2.62 3.80 -1.23 0.00 0.14 -4.89 105.19 108.73 3dp1 n GLY 116 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.60 7.16 -0.46 1.61 -0.00 -0.59 -4.89 116.67 117.89 3dp1 s ASP 117 Ca 0.00 1.62 -0.12 0.00 -0.00 0.00 0.00 52.55 54.05 3dp1 s ASP 117 Cb 0.00 -2.50 0.09 0.00 -0.00 0.00 0.00 42.92 40.51 3dp1 s ASP 117 CO 0.00 -0.07 0.35 -0.60 -0.00 0.00 0.00 175.17 174.86 3dp1 s ARG 118 N -2.19 2.75 -0.62 8.23 3.52 -1.26 -0.86 118.95 128.52 3dp1 s ARG 118 Ca 0.49 -1.52 -0.25 0.00 -0.13 0.00 0.00 55.73 54.31 3dp1 s ARG 118 Cb -0.16 -3.99 0.04 0.00 -1.56 0.00 0.00 34.95 29.28 3dp1 s ARG 118 CO 0.21 -1.08 1.07 -1.17 -0.81 0.00 0.00 175.30 173.52 3dp1 s LEU 119 N 1.51 3.84 -0.19 -0.88 2.96 -0.13 -4.39 118.68 121.39 3dp1 s LEU 119 Ca 0.04 -0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 53.34 3dp1 s LEU 119 Cb -0.25 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.66 3dp1 s LEU 119 CO 0.03 -1.45 0.52 -0.70 -1.32 0.00 0.00 176.35 173.42 3dp1 s GLU 120 N 4.55 4.20 -0.23 1.98 2.12 0.68 -0.80 118.70 131.21 3dp1 s GLU 120 Ca 0.32 0.42 -0.12 0.00 0.36 0.00 0.00 54.97 55.94 3dp1 s GLU 120 Cb -0.11 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 3dp1 s GLU 120 CO 0.18 -0.12 0.25 0.71 -0.54 0.00 0.00 175.26 175.73 3dp1 s TYR 121 N 1.54 3.33 -0.27 5.30 4.12 0.61 -0.17 117.35 131.81 3dp1 s TYR 121 Ca 0.24 0.36 0.03 0.00 0.02 0.00 0.00 57.07 57.72 3dp1 s TYR 121 Cb -0.15 -2.37 0.07 0.00 -1.52 0.00 0.00 41.96 37.99 3dp1 s TYR 121 CO 0.10 0.03 -0.06 -1.01 0.02 0.00 0.00 175.55 174.62 3dp1 s HIS 122 N 1.18 3.17 0.04 2.71 3.76 -0.06 -1.08 115.29 125.00 3dp1 s HIS 122 Ca 0.12 -2.35 0.06 0.00 -0.15 0.00 0.00 55.06 52.74 3dp1 s HIS 122 Cb -0.14 -2.06 -0.02 0.00 1.11 0.00 0.00 32.58 31.47 3dp1 s HIS 122 CO 0.06 -0.87 -0.17 -0.51 -0.85 0.00 0.00 174.74 172.39 3dp1 s LEU 123 N 1.13 2.16 0.12 0.89 2.01 -0.95 -0.46 118.68 123.57 3dp1 s LEU 123 Ca -0.04 -0.47 0.06 0.00 0.01 0.00 0.00 54.13 53.69 3dp1 s LEU 123 Cb -0.20 -0.78 -0.04 0.00 0.01 0.00 0.00 46.19 45.19 3dp1 s LEU 123 CO -0.06 0.10 -0.14 -1.83 1.01 0.00 0.00 176.35 175.42 3dp1 s GLU 124 N -1.10 1.03 -0.36 1.70 -1.05 0.59 -1.44 118.70 118.07 3dp1 s GLU 124 Ca 0.05 -1.23 -0.29 0.00 -0.15 0.00 0.00 54.97 53.35 3dp1 s GLU 124 Cb -0.08 -0.94 0.01 0.00 -0.44 0.00 0.00 34.13 32.68 3dp1 s GLU 124 CO 0.01 0.18 1.23 0.08 0.95 0.00 0.00 175.26 177.72 3dp1 s VAL 125 N -2.05 4.20 -0.05 1.83 1.01 0.64 -1.70 120.40 124.28 3dp1 s VAL 125 Ca 0.08 1.32 -0.23 0.00 0.00 0.00 0.00 61.98 63.15 3dp1 s VAL 125 Cb -0.05 -4.32 -0.25 0.00 0.00 0.00 0.00 36.38 31.75 3dp1 s VAL 125 CO 0.03 -0.64 0.99 -0.07 0.00 0.00 0.00 175.10 175.41 3dp1 h LEU 126 N 10.99 0.32 -7.00 3.92 3.38 -0.46 -3.48 115.31 122.98 3dp1 h LEU 126 Ca -0.24 -0.83 -0.03 0.00 0.09 0.00 0.00 57.88 56.87 3dp1 h LEU 126 Cb 1.08 -0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.55 3dp1 h LEU 126 CO 1.06 1.12 0.25 -0.75 0.09 0.00 0.00 178.44 180.21 3dp1 s LYS 127 N -2.91 1.02 -0.15 1.13 2.20 -0.97 -5.02 119.74 115.04 3dp1 s LYS 127 Ca -0.15 0.10 -0.16 0.00 -0.36 0.00 0.00 55.97 55.39 3dp1 s LYS 127 Cb 0.01 0.48 0.04 0.00 -1.51 0.00 0.00 37.83 36.85 3dp1 s LYS 127 CO 0.77 -0.35 0.46 -3.38 -0.36 0.00 0.00 175.35 172.49 3dp1 s HIS 128 N -1.70 -0.48 -0.21 4.03 -3.43 -1.26 0.53 115.29 112.77 3dp1 s HIS 128 Ca -0.07 1.14 -0.04 0.00 -0.80 0.00 0.00 55.06 55.29 3dp1 s HIS 128 Cb -0.00 0.18 0.11 0.00 -1.43 0.00 0.00 32.58 31.43 3dp1 s HIS 128 CO 0.04 -0.27 0.33 0.21 -2.00 0.00 0.00 174.74 173.05 3dp1 s LYS 129 N 0.04 0.29 7.56 -0.38 2.20 -0.25 -5.02 119.74 124.18 3dp1 s LYS 129 Ca -0.02 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 3dp1 s LYS 129 Cb -0.03 -0.48 0.00 0.00 -1.51 0.00 0.00 37.83 35.80 3dp1 s LYS 129 CO 0.01 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 3dp1 n GLY 130 N 5.36 2.92 0.70 5.54 0.00 -1.26 -1.90 105.19 116.55 3dp1 n GLY 130 Ca -0.05 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 13.37 1.97 -3.20 1.61 2.81 -1.26 -4.81 117.12 127.60 3dp1 n MET 131 Ca 0.00 -1.41 -0.42 0.00 -1.81 0.00 0.00 57.70 54.07 3dp1 n MET 131 Cb 0.00 -1.47 -0.07 0.00 -0.71 0.00 0.00 33.22 30.97 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 -1.98 4.97 -0.12 2.02 -1.09 -0.80 -1.17 121.20 123.04 3dp1 s ILE 132 Ca 0.34 0.29 0.03 0.00 -2.23 0.00 0.00 60.65 59.08 3dp1 s ILE 132 Cb 0.21 -4.03 0.01 0.00 -1.58 0.00 0.00 42.46 37.06 3dp1 s ILE 132 CO 0.32 -0.31 -0.22 0.26 -1.23 0.00 0.00 174.94 173.76 3dp1 s TRP 133 N 2.50 2.53 -0.24 3.97 0.52 0.14 -1.09 118.94 127.27 3dp1 s TRP 133 Ca 0.20 -1.16 -0.06 0.00 0.02 0.00 0.00 56.10 55.10 3dp1 s TRP 133 Cb -0.15 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.44 3dp1 s TRP 133 CO 0.14 -0.51 0.02 -0.65 0.02 0.00 0.00 176.95 175.98 3dp1 s GLN 134 N 0.61 3.45 0.28 4.98 -0.21 0.19 0.31 119.66 129.26 3dp1 s GLN 134 Ca -0.13 -0.60 0.12 0.00 0.02 0.00 0.00 55.36 54.77 3dp1 s GLN 134 Cb -0.17 -3.20 -0.05 0.00 1.00 0.00 0.00 33.01 30.60 3dp1 s GLN 134 CO 0.03 -0.23 -0.17 0.14 -2.12 0.00 0.00 175.29 172.93 3dp1 s VAL 135 N 1.54 2.60 0.15 1.09 -7.23 1.00 0.32 120.40 119.87 3dp1 s VAL 135 Ca 0.05 -2.35 -0.23 0.00 -1.81 0.00 0.00 61.98 57.64 3dp1 s VAL 135 Cb -0.15 -2.37 0.07 0.00 0.56 0.00 0.00 36.38 34.49 3dp1 s VAL 135 CO 0.00 -0.40 0.65 -0.83 -0.31 0.00 0.00 175.10 174.21 3dp1 s GLY 136 N -3.53 -0.55 0.00 2.32 0.00 -0.69 -0.26 107.32 104.61 3dp1 s GLY 136 Ca 0.30 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.48 3dp1 s GLY 136 CO 0.16 0.15 0.00 0.61 0.00 0.00 0.00 173.10 174.02 3dp1 n GLY 137 N -0.38 -0.59 3.25 0.20 0.00 -0.91 -0.30 105.19 106.47 3dp1 n GLY 137 Ca -0.15 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 0.39 -2.43 115.64 107.88 3dp1 s THR 138 Ca 0.00 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.56 3dp1 s THR 138 Cb 0.00 -2.50 -0.00 0.00 1.34 0.00 0.00 72.50 71.34 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 -3.77 2.10 0.04 3.99 0.00 0.34 -0.88 121.76 123.58 3dp1 s ALA 139 Ca 0.40 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.46 3dp1 s ALA 139 Cb 0.04 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 3dp1 s ALA 139 CO 0.20 0.30 -0.14 -0.65 0.00 0.00 0.00 175.76 175.47 3dp1 s GLN 140 N 0.29 0.91 -0.21 0.00 -0.21 0.76 -0.31 119.66 120.89 3dp1 s GLN 140 Ca -0.16 -0.77 -0.00 0.00 0.02 0.00 0.00 55.36 54.44 3dp1 s GLN 140 Cb -0.17 -0.91 0.06 0.00 1.00 0.00 0.00 33.01 32.99 3dp1 s GLN 140 CO 0.08 0.22 -0.03 0.08 -2.12 0.00 0.00 175.29 173.52 3dp1 s VAL 141 N -0.90 1.20 -1.22 1.09 1.01 -0.71 -0.23 120.40 120.64 3dp1 s VAL 141 Ca 0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3dp1 s VAL 141 Cb -0.08 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3dp1 s VAL 141 CO 0.01 -0.07 0.90 -0.67 0.00 0.00 0.00 175.10 175.27 3dp1 n ASP 142 N 4.81 -2.15 0.00 3.32 -0.08 -1.26 -2.69 116.55 118.49 3dp1 n ASP 142 Ca -0.11 -0.69 0.00 0.00 -1.51 0.00 0.00 54.79 52.48 3dp1 n ASP 142 Cb 0.46 -4.80 0.00 0.00 2.34 0.00 0.00 41.12 39.12 3dp1 n ASP 142 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dp1 n GLY 143 N -1.27 2.63 3.89 0.27 0.00 -1.26 -5.00 105.19 104.45 3dp1 n GLY 143 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 3.54 -0.24 1.61 1.02 -1.10 -5.06 119.74 119.51 3dp1 s LYS 144 Ca 0.00 -0.15 -0.29 0.00 0.02 0.00 0.00 55.97 55.55 3dp1 s LYS 144 Cb 0.00 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 3dp1 s LYS 144 CO 0.00 0.65 1.11 0.08 -0.92 0.00 0.00 175.35 176.27 3dp1 s VAL 145 N -1.33 4.53 -0.03 3.17 1.01 -1.26 -1.73 120.40 124.76 3dp1 s VAL 145 Ca 0.28 1.83 0.19 0.00 0.00 0.00 0.00 61.98 64.28 3dp1 s VAL 145 Cb -0.13 -4.25 -0.29 0.00 0.00 0.00 0.00 36.38 31.70 3dp1 s VAL 145 CO 0.17 -0.24 0.40 1.33 0.00 0.00 0.00 175.10 176.76 3dp1 n VAL 146 N 5.48 0.06 -3.46 2.92 0.24 0.58 -4.53 118.33 119.63 3dp1 n VAL 146 Ca 0.13 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.34 61.86 3dp1 n VAL 146 Cb 0.46 0.03 -0.02 0.00 -1.47 0.00 0.00 33.84 32.84 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 -3.28 -1.63 0.05 2.33 0.00 -1.11 -0.85 121.76 117.27 3dp1 s ALA 147 Ca -0.07 0.56 -0.08 0.00 0.00 0.00 0.00 51.96 52.37 3dp1 s ALA 147 Cb 0.12 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 24.03 3dp1 s ALA 147 CO 0.79 -0.77 0.16 -1.83 0.00 0.00 0.00 175.76 174.11 3dp1 s GLU 148 N -3.63 0.70 -0.16 0.00 -1.05 -0.60 -0.51 118.70 113.45 3dp1 s GLU 148 Ca 0.02 -0.77 -0.34 0.00 -0.15 0.00 0.00 54.97 53.73 3dp1 s GLU 148 Cb -0.01 0.28 0.13 0.00 -0.44 0.00 0.00 34.13 34.09 3dp1 s GLU 148 CO -0.11 -0.20 1.16 0.00 0.95 0.00 0.00 175.26 177.05 3dp1 s ALA 149 N -2.96 -2.03 -0.03 -0.84 0.00 -1.02 -1.40 121.76 113.48 3dp1 s ALA 149 Ca -0.02 1.48 0.05 0.00 0.00 0.00 0.00 51.96 53.48 3dp1 s ALA 149 Cb 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3dp1 s ALA 149 CO -0.06 -0.62 -0.19 -1.21 0.00 0.00 0.00 175.76 173.68 3dp1 s GLU 150 N -2.54 1.73 0.03 0.00 2.02 0.45 -2.13 118.70 118.25 3dp1 s GLU 150 Ca 0.09 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.42 3dp1 s GLU 150 Cb -0.01 -1.57 -0.02 0.00 0.10 0.00 0.00 34.13 32.63 3dp1 s GLU 150 CO -0.05 0.33 -0.05 -0.51 0.02 0.00 0.00 175.26 175.00 3dp1 s LEU 151 N -0.21 2.23 -0.12 1.80 1.02 0.64 -0.43 118.68 123.62 3dp1 s LEU 151 Ca 0.02 -0.49 0.01 0.00 0.02 0.00 0.00 54.13 53.69 3dp1 s LEU 151 Cb -0.10 -0.01 0.02 0.00 0.02 0.00 0.00 46.19 46.12 3dp1 s LEU 151 CO 0.01 -0.24 -0.15 -0.75 0.02 0.00 0.00 176.35 175.23 3dp1 s LYS 152 N -1.42 2.27 0.16 1.70 2.20 -0.80 -0.00 119.74 123.84 3dp1 s LYS 152 Ca -0.13 -0.57 0.10 0.00 -0.36 0.00 0.00 55.97 55.02 3dp1 s LYS 152 Cb -0.09 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.22 3dp1 s LYS 152 CO -0.00 -0.11 -0.22 0.00 -0.36 0.00 0.00 175.35 174.66 3dp1 s ALA 153 N 1.12 2.58 -0.07 3.13 0.00 0.15 -1.13 121.76 127.53 3dp1 s ALA 153 Ca -0.03 -1.52 0.04 0.00 0.00 0.00 0.00 51.96 50.45 3dp1 s ALA 153 Cb -0.14 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3dp1 s ALA 153 CO -0.04 0.50 -0.21 1.41 0.00 0.00 0.00 175.76 177.42 3dp1 s MET 154 N -2.42 2.74 -0.22 0.00 1.75 -0.42 -0.68 119.30 120.04 3dp1 s MET 154 Ca 0.19 -0.82 -0.10 0.00 -1.25 0.00 0.00 55.69 53.71 3dp1 s MET 154 Cb -0.09 -2.31 -0.05 0.00 2.84 0.00 0.00 34.83 35.22 3dp1 s MET 154 CO 0.10 0.38 0.13 0.42 -0.65 0.00 0.00 175.02 175.40 3dp1 s ILE 155 N -0.14 5.24 0.22 10.11 1.01 -0.31 -2.35 121.20 134.98 3dp1 s ILE 155 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.76 3dp1 s ILE 155 Cb -0.14 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 3dp1 s ILE 155 CO 0.04 0.39 0.09 0.00 0.00 0.00 0.00 174.94 175.46 3dp1 s ALA 156 N 0.80 1.41 0.07 9.38 0.00 -0.39 -4.82 121.76 128.21 3dp1 s ALA 156 Ca 0.07 -1.74 -0.31 0.00 0.00 0.00 0.00 51.96 49.98 3dp1 s ALA 156 Cb -0.13 1.10 -0.06 0.00 0.00 0.00 0.00 23.12 24.03 3dp1 s ALA 156 CO 0.02 -0.49 1.23 -1.21 0.00 0.00 0.00 175.76 175.31 3dp1 s GLU 157 N -4.07 4.41 0.00 0.00 0.41 -1.26 0.18 118.70 118.37 3dp1 s GLU 157 Ca 0.36 1.82 0.24 0.00 -0.41 0.00 0.00 54.97 56.97 3dp1 s GLU 157 Cb 0.07 -3.34 1.42 0.00 -1.78 0.00 0.00 34.13 30.51 3dp1 s GLU 157 CO 0.11 -0.29 1.79 -2.13 -0.49 0.00 0.00 175.26 174.25