#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dp1 n SER 10 N 0.00 3.17 -4.05 1.69 2.88 -1.26 -4.70 113.62 111.34 3dp1 n SER 10 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 3dp1 n SER 10 Cb 0.00 0.44 -0.16 0.00 -0.75 0.00 0.00 64.21 63.74 3dp1 n SER 10 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3dp1 s GLN 11 N -1.49 2.46 -0.03 -1.46 0.74 -1.26 -3.14 119.66 115.48 3dp1 s GLN 11 Ca 0.00 -0.82 0.06 0.00 0.05 0.00 0.00 55.36 54.65 3dp1 s GLN 11 Cb 0.00 -2.45 -0.01 0.00 1.10 0.00 0.00 33.01 31.65 3dp1 s GLN 11 CO 0.00 -0.32 -0.22 -0.06 -0.55 0.00 0.00 175.29 174.14 3dp1 s PHE 12 N 1.35 2.01 0.41 1.67 0.40 -0.93 -4.99 117.98 117.89 3dp1 s PHE 12 Ca 0.02 -0.46 0.06 0.00 -0.60 0.00 0.00 56.93 55.95 3dp1 s PHE 12 Cb -0.15 -1.31 0.06 0.00 0.51 0.00 0.00 43.02 42.14 3dp1 s PHE 12 CO -0.10 -0.09 0.51 1.19 0.70 0.00 0.00 175.22 177.42 3dp1 n PHE 13 N 2.73 -2.13 -0.34 0.36 3.01 -1.26 -0.30 117.46 119.52 3dp1 n PHE 13 Ca -0.16 -1.54 0.09 0.00 1.01 0.00 0.00 57.45 56.85 3dp1 n PHE 13 Cb 0.52 -0.37 0.26 0.00 -0.01 0.00 0.00 39.48 39.88 3dp1 n PHE 13 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 3dp1 h ILE 14 N 0.19 0.81 -0.46 4.37 6.09 -1.91 -0.65 117.51 125.95 3dp1 h ILE 14 Ca -0.20 -0.29 0.01 0.00 -1.37 0.00 0.00 64.86 63.01 3dp1 h ILE 14 Cb 0.89 -0.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.06 3dp1 h ILE 14 CO 0.30 0.15 0.30 -0.33 -3.07 0.00 0.00 178.15 175.51 3dp1 h GLU 15 N 0.83 0.59 0.06 2.19 3.07 -1.95 -0.34 114.58 119.04 3dp1 h GLU 15 Ca 0.51 -0.04 -0.28 0.00 -0.50 0.00 0.00 59.36 59.05 3dp1 h GLU 15 Cb 0.65 -0.13 0.02 0.00 -0.84 0.00 0.00 28.75 28.45 3dp1 h GLU 15 CO -0.32 0.39 -1.15 0.45 -1.40 0.00 0.00 179.01 176.98 3dp1 h HIS 16 N 0.61 1.00 -0.61 4.33 3.86 -1.52 -3.11 115.15 119.70 3dp1 h HIS 16 Ca 0.17 -0.59 -0.04 0.00 -1.16 0.00 0.00 60.37 58.75 3dp1 h HIS 16 Cb -0.05 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 3dp1 h HIS 16 CO -0.00 1.43 0.21 0.82 0.86 0.00 0.00 177.93 181.24 3dp1 h ILE 17 N 0.32 1.23 0.00 2.45 2.04 -0.88 -2.02 117.51 120.65 3dp1 h ILE 17 Ca -0.16 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 3dp1 h ILE 17 Cb 1.81 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 3dp1 h ILE 17 CO 0.22 0.29 -0.16 -0.07 0.00 0.00 0.00 178.15 178.44 3dp1 h LEU 18 N 0.88 0.00 0.00 1.44 3.38 -1.08 -1.14 115.31 118.79 3dp1 h LEU 18 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3dp1 h LEU 18 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3dp1 h LEU 18 CO -0.01 0.16 -0.33 0.00 0.09 0.00 0.00 178.44 178.34 3dp1 n GLN 19 N -4.17 0.19 -0.10 1.13 6.02 -0.78 -4.34 117.38 115.33 3dp1 n GLN 19 Ca -0.02 0.09 -0.18 0.00 -0.01 0.00 0.00 57.00 56.88 3dp1 n GLN 19 Cb 0.23 -1.66 -0.08 0.00 1.02 0.00 0.00 30.24 29.76 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 -1.95 1.11 -3.27 5.09 2.08 -0.92 -4.42 119.36 117.09 3dp1 n ILE 20 Ca 0.05 -0.35 -0.35 0.00 0.56 0.00 0.00 62.75 62.66 3dp1 n ILE 20 Cb 0.40 -1.52 -0.06 0.00 -0.75 0.00 0.00 39.64 37.72 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 -6.68 4.30 0.32 1.39 1.43 -0.48 -4.85 118.68 114.11 3dp1 s LEU 21 Ca -0.27 1.18 0.23 0.00 -1.03 0.00 0.00 54.13 54.24 3dp1 s LEU 21 Cb 0.09 -3.47 0.31 0.00 0.03 0.00 0.00 46.19 43.15 3dp1 s LEU 21 CO 0.40 0.04 1.46 1.55 0.23 0.00 0.00 176.35 180.02 3dp1 h PRO 22 N 3.31 0.00 -6.69 1.29 0.13 -1.88 -3.44 132.00 124.73 3dp1 h PRO 22 Ca -0.48 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.07 3dp1 h PRO 22 Cb 1.19 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.43 3dp1 h PRO 22 CO 0.66 0.00 0.45 0.72 -0.23 0.00 0.00 178.00 179.60 3dp1 n HIS 23 N -2.80 2.10 -4.28 1.56 8.25 -1.26 -5.02 115.22 113.76 3dp1 n HIS 23 Ca 0.03 0.57 -0.17 0.00 -0.26 0.00 0.00 57.72 57.89 3dp1 n HIS 23 Cb 0.52 -2.39 -0.09 0.00 1.12 0.00 0.00 29.99 29.15 3dp1 n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3dp1 s ARG 24 N -1.71 1.57 0.31 -0.41 1.81 -1.26 -4.67 118.95 114.59 3dp1 s ARG 24 Ca 0.57 -1.89 -0.29 0.00 -1.72 0.00 0.00 55.73 52.39 3dp1 s ARG 24 Cb -0.60 0.16 -0.12 0.00 -0.45 0.00 0.00 34.95 33.94 3dp1 s ARG 24 CO 0.61 -0.52 1.45 0.98 -0.68 0.00 0.00 175.30 177.14 3dp1 n TYR 25 N -0.53 2.56 -1.53 -0.53 4.19 -1.26 0.44 117.16 120.49 3dp1 n TYR 25 Ca 0.04 0.41 -0.36 0.00 3.31 0.00 0.00 57.90 61.30 3dp1 n TYR 25 Cb 0.64 -2.50 0.07 0.00 0.49 0.00 0.00 39.34 38.03 3dp1 n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3dp1 n PRO 26 N 1.37 2.74 -0.07 2.98 -0.04 -1.26 -4.92 135.00 135.81 3dp1 n PRO 26 Ca 0.07 -3.39 0.02 0.00 -0.04 0.00 0.00 63.50 60.15 3dp1 n PRO 26 Cb 0.36 -2.28 0.02 0.00 -0.04 0.00 0.00 33.50 31.55 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 -0.80 1.48 -3.12 0.54 2.81 0.17 -4.93 117.12 113.27 3dp1 n MET 27 Ca 0.60 -1.31 -0.45 0.00 -1.81 0.00 0.00 57.70 54.73 3dp1 n MET 27 Cb 0.54 -0.87 -0.04 0.00 -0.71 0.00 0.00 33.22 32.14 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 -0.87 5.45 -0.52 4.03 2.96 -1.03 -4.64 118.68 124.06 3dp1 s LEU 28 Ca 0.05 -1.49 0.02 0.00 -0.22 0.00 0.00 54.13 52.49 3dp1 s LEU 28 Cb 0.04 -2.30 0.49 0.00 0.50 0.00 0.00 46.19 44.92 3dp1 s LEU 28 CO 0.00 -1.10 1.77 0.18 -1.32 0.00 0.00 176.35 175.89 3dp1 n LEU 29 N 6.25 6.59 -3.64 -0.68 4.77 -1.26 -4.86 117.00 124.16 3dp1 n LEU 29 Ca -0.09 -4.26 -0.23 0.00 -0.03 0.00 0.00 56.01 51.40 3dp1 n LEU 29 Cb 0.42 -0.78 -0.17 0.00 -2.33 0.00 0.00 43.42 40.56 3dp1 n LEU 29 CO 0.58 1.55 -0.33 -0.69 -1.33 0.00 0.00 177.39 177.16 3dp1 s VAL 30 N -4.43 -0.10 -0.06 4.08 1.01 -1.26 -4.63 120.40 115.01 3dp1 s VAL 30 Ca 0.59 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.73 3dp1 s VAL 30 Cb 0.47 -0.37 -0.25 0.00 0.00 0.00 0.00 36.38 36.24 3dp1 s VAL 30 CO 0.02 -0.06 0.59 0.44 0.00 0.00 0.00 175.10 176.08 3dp1 h ASP 31 N 8.43 0.18 -5.00 3.32 3.32 -1.32 -3.48 116.42 121.87 3dp1 h ASP 31 Ca -0.14 -0.39 -0.07 0.00 0.02 0.00 0.00 57.03 56.46 3dp1 h ASP 31 Cb 1.14 -0.06 -0.19 0.00 0.22 0.00 0.00 39.33 40.44 3dp1 h ASP 31 CO 0.22 1.34 0.12 -0.60 -1.72 0.00 0.00 179.24 178.61 3dp1 s ARG 32 N -2.59 1.00 -0.26 3.56 3.52 -0.96 -3.12 118.95 120.11 3dp1 s ARG 32 Ca -0.11 0.20 -0.05 0.00 -0.13 0.00 0.00 55.73 55.63 3dp1 s ARG 32 Cb 0.07 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.94 3dp1 s ARG 32 CO 0.81 -0.31 0.02 0.42 -0.81 0.00 0.00 175.30 175.43 3dp1 s ILE 33 N -1.21 3.68 -0.06 4.11 -1.09 0.59 -1.46 121.20 125.76 3dp1 s ILE 33 Ca -0.11 -0.62 0.14 0.00 -2.23 0.00 0.00 60.65 57.82 3dp1 s ILE 33 Cb -0.01 -2.81 -0.17 0.00 -1.58 0.00 0.00 42.46 37.90 3dp1 s ILE 33 CO 0.09 0.23 0.86 0.71 -1.23 0.00 0.00 174.94 175.60 3dp1 h THR 34 N 5.82 0.82 -1.93 2.92 1.35 -1.37 -2.48 112.91 118.05 3dp1 h THR 34 Ca -0.35 -2.48 -0.03 0.00 -0.55 0.00 0.00 66.41 63.00 3dp1 h THR 34 Cb 1.14 2.33 -0.21 0.00 -1.73 0.00 0.00 68.15 69.67 3dp1 h THR 34 CO 0.59 0.47 0.21 -1.83 -0.25 0.00 0.00 175.52 174.71 3dp1 s GLU 35 N -2.76 0.84 -0.08 4.72 -1.05 -0.93 -4.61 118.70 114.82 3dp1 s GLU 35 Ca -0.03 0.71 -0.04 0.00 -0.15 0.00 0.00 54.97 55.47 3dp1 s GLU 35 Cb 0.08 0.41 0.04 0.00 -0.44 0.00 0.00 34.13 34.22 3dp1 s GLU 35 CO 0.81 -0.16 0.19 -1.17 0.95 0.00 0.00 175.26 175.89 3dp1 s LEU 36 N -0.12 0.64 -0.28 1.83 2.96 -1.23 -0.89 118.68 121.60 3dp1 s LEU 36 Ca -0.03 0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 3dp1 s LEU 36 Cb -0.03 0.55 0.08 0.00 0.50 0.00 0.00 46.19 47.28 3dp1 s LEU 36 CO 0.02 -0.15 -0.00 -1.10 -1.32 0.00 0.00 176.35 173.80 3dp1 s GLN 37 N 1.11 1.49 -0.01 1.98 -1.52 -0.38 -4.76 119.66 117.57 3dp1 s GLN 37 Ca -0.08 -1.29 -0.40 0.00 -1.95 0.00 0.00 55.36 51.64 3dp1 s GLN 37 Cb -0.10 -2.69 -0.19 0.00 -0.22 0.00 0.00 33.01 29.81 3dp1 s GLN 37 CO -0.07 -0.76 1.20 0.00 -0.25 0.00 0.00 175.29 175.41 3dp1 n ALA 38 N 4.56 -2.68 -0.79 6.09 0.00 -1.26 -0.27 120.51 126.15 3dp1 n ALA 38 Ca -0.06 0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3dp1 n ALA 38 Cb 0.43 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.55 0.03 0.00 3.02 -1.26 -4.78 115.26 112.76 3dp1 n ASN 39 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 3dp1 n ASN 39 Cb 0.10 -1.77 0.00 0.00 -0.61 0.00 0.00 39.78 37.50 3dp1 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dp1 n GLN 40 N -1.54 0.00 -3.66 3.52 6.02 0.62 -4.65 117.38 117.69 3dp1 n GLN 40 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 3dp1 n GLN 40 Cb 0.10 -0.28 -0.02 0.00 1.02 0.00 0.00 30.24 31.06 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 -1.57 1.53 -0.07 -1.09 -2.85 -0.96 -0.72 119.74 114.02 3dp1 s LYS 41 Ca 0.00 -0.76 -0.05 0.00 -1.00 0.00 0.00 55.97 54.16 3dp1 s LYS 41 Cb 0.00 0.59 0.02 0.00 -2.06 0.00 0.00 37.83 36.38 3dp1 s LYS 41 CO 0.00 -0.68 0.17 -1.50 0.10 0.00 0.00 175.35 173.44 3dp1 s ILE 42 N -3.84 -0.01 -0.13 3.79 2.07 0.26 -1.25 121.20 122.09 3dp1 s ILE 42 Ca 0.07 0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.36 3dp1 s ILE 42 Cb -0.03 -0.25 0.01 0.00 0.13 0.00 0.00 42.46 42.32 3dp1 s ILE 42 CO -0.02 0.01 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.14 3dp1 s VAL 43 N 0.30 1.85 0.31 4.00 1.01 -0.06 -1.55 120.40 126.25 3dp1 s VAL 43 Ca -0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 3dp1 s VAL 43 Cb -0.03 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3dp1 s VAL 43 CO -0.01 0.51 0.40 0.00 0.00 0.00 0.00 175.10 176.00 3dp1 n ALA 44 N 4.16 -0.13 -3.47 5.51 0.00 -0.71 -1.16 120.51 124.72 3dp1 n ALA 44 Ca -0.20 -1.49 -0.10 0.00 0.00 0.00 0.00 53.44 51.65 3dp1 n ALA 44 Cb 0.51 1.20 -0.02 0.00 0.00 0.00 0.00 19.45 21.14 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 -3.16 -0.44 -0.07 0.00 -0.85 -0.54 0.02 117.35 112.33 3dp1 s TYR 45 Ca 0.28 0.30 0.00 0.00 -0.52 0.00 0.00 57.07 57.13 3dp1 s TYR 45 Cb -0.00 0.54 0.02 0.00 0.38 0.00 0.00 41.96 42.90 3dp1 s TYR 45 CO 0.20 -0.67 -0.05 0.21 -1.52 0.00 0.00 175.55 173.71 3dp1 s LYS 46 N -3.29 1.07 0.42 -3.49 2.20 -0.29 -0.84 119.74 115.51 3dp1 s LYS 46 Ca 0.03 -0.14 -0.24 0.00 -0.36 0.00 0.00 55.97 55.25 3dp1 s LYS 46 Cb -0.01 -1.11 -0.08 0.00 -1.51 0.00 0.00 37.83 35.12 3dp1 s LYS 46 CO -0.10 -0.14 1.09 -0.80 -0.36 0.00 0.00 175.35 175.04 3dp1 s ASN 47 N 1.24 6.57 -0.21 1.43 0.01 -1.26 -1.93 114.94 120.79 3dp1 s ASN 47 Ca -0.05 2.14 -0.04 0.00 -0.71 0.00 0.00 52.86 54.20 3dp1 s ASN 47 Cb -0.14 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.92 3dp1 s ASN 47 CO -0.02 -0.63 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.27 3dp1 s ILE 48 N -1.60 3.43 0.08 0.60 -1.09 -0.20 -4.91 121.20 117.51 3dp1 s ILE 48 Ca 0.59 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.58 3dp1 s ILE 48 Cb -0.25 -2.55 -0.03 0.00 -1.58 0.00 0.00 42.46 38.05 3dp1 s ILE 48 CO 0.31 0.43 -0.12 0.28 -1.23 0.00 0.00 174.94 174.61 3dp1 s THR 49 N 1.34 0.98 0.46 2.92 -1.32 -1.26 0.15 115.64 118.92 3dp1 s THR 49 Ca 0.04 -1.40 0.16 0.00 -1.21 0.00 0.00 61.69 59.28 3dp1 s THR 49 Cb -0.14 -1.11 0.21 0.00 -1.51 0.00 0.00 72.50 69.94 3dp1 s THR 49 CO -0.02 -0.37 2.04 0.15 -2.21 0.00 0.00 174.62 174.21 3dp1 h PHE 50 N 4.05 0.00 0.00 9.09 3.57 -1.95 -3.20 116.94 128.49 3dp1 h PHE 50 Ca -0.39 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.06 3dp1 h PHE 50 Cb 1.19 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 3dp1 h PHE 50 CO 0.64 0.14 -0.02 -1.71 -2.23 0.00 0.00 178.31 175.13 3dp1 n ASN 51 N -4.31 3.20 -4.20 0.41 5.15 -1.26 -4.72 115.26 109.53 3dp1 n ASN 51 Ca -0.03 -1.95 -0.29 0.00 -0.60 0.00 0.00 54.58 51.72 3dp1 n ASN 51 Cb 0.21 -0.75 -0.16 0.00 -0.53 0.00 0.00 39.78 38.54 3dp1 n ASN 51 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3dp1 s GLU 52 N 1.20 2.16 0.29 1.20 2.02 -1.21 -5.05 118.70 119.31 3dp1 s GLU 52 Ca 0.16 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.42 3dp1 s GLU 52 Cb 0.08 -1.85 0.57 0.00 0.10 0.00 0.00 34.13 33.02 3dp1 s GLU 52 CO 0.00 0.31 1.84 0.22 0.02 0.00 0.00 175.26 177.65 3dp1 h ASP 53 N 6.16 0.92 -0.68 -0.19 3.58 -1.94 -2.21 116.42 122.06 3dp1 h ASP 53 Ca -0.32 0.05 0.20 0.00 0.42 0.00 0.00 57.03 57.37 3dp1 h ASP 53 Cb 1.18 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 3dp1 h ASP 53 CO 0.47 0.49 0.49 -0.37 -2.88 0.00 0.00 179.24 177.44 3dp1 h VAL 54 N 0.99 0.66 0.00 2.25 -1.51 -1.96 0.10 116.25 116.78 3dp1 h VAL 54 Ca 0.49 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.96 3dp1 h VAL 54 Cb 0.49 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 3dp1 h VAL 54 CO -0.26 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.57 3dp1 n PHE 55 N -4.34 0.69 0.08 5.19 0.99 -0.83 -1.88 117.46 117.36 3dp1 n PHE 55 Ca 0.13 0.27 0.01 0.00 -0.00 0.00 0.00 57.45 57.86 3dp1 n PHE 55 Cb 0.75 -0.94 0.34 0.00 -1.00 0.00 0.00 39.48 38.63 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 0.30 -0.02 4.37 2.35 -0.95 -3.26 115.58 118.37 3dp1 h ASN 56 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3dp1 h ASN 56 Cb 0.34 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3dp1 h ASN 56 CO 0.00 0.47 0.00 0.61 -1.65 0.00 0.00 177.43 176.86 3dp1 n GLY 57 N -0.76 -0.64 2.35 2.83 0.00 -0.91 -4.23 105.19 103.83 3dp1 n GLY 57 Ca -0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 0.32 -0.73 -4.44 1.61 -0.00 -0.79 -4.49 115.22 106.71 3dp1 n HIS 58 Ca 0.04 -3.38 -0.22 0.00 -0.00 0.00 0.00 57.72 54.16 3dp1 n HIS 58 Cb 0.16 0.11 -0.10 0.00 -0.00 0.00 0.00 29.99 30.16 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 -0.26 2.03 0.11 1.57 0.40 0.11 -1.09 117.98 120.85 3dp1 s PHE 59 Ca 0.33 -0.60 -0.34 0.00 -0.60 0.00 0.00 56.93 55.73 3dp1 s PHE 59 Cb 0.07 -1.10 -0.13 0.00 0.51 0.00 0.00 43.02 42.37 3dp1 s PHE 59 CO -0.18 0.40 1.67 -2.30 0.70 0.00 0.00 175.22 175.50 3dp1 n PRO 60 N -0.59 2.22 -0.82 0.24 -0.02 -1.26 -1.21 135.00 133.56 3dp1 n PRO 60 Ca -0.06 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3dp1 n PRO 60 Cb 0.63 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 4.28 -2.82 -2.97 2.55 3.02 -1.26 -4.86 115.26 113.20 3dp1 n ASN 61 Ca 0.18 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.58 3dp1 n ASN 61 Cb 0.30 -2.41 -0.01 0.00 -0.61 0.00 0.00 39.78 37.04 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 -0.89 0.63 -1.93 3.52 3.00 -0.35 -5.12 118.16 117.03 3dp1 n LYS 62 Ca 0.00 -2.44 -0.42 0.00 -0.00 0.00 0.00 58.31 55.45 3dp1 n LYS 62 Cb 0.21 -1.42 -0.03 0.00 0.00 0.00 0.00 35.03 33.79 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 0.08 3.93 -0.13 1.64 0.04 -1.19 -0.71 135.00 138.65 3dp1 s PRO 63 Ca 0.33 2.08 -0.02 0.00 0.04 0.00 0.00 61.00 63.43 3dp1 s PRO 63 Cb 0.14 -4.08 0.04 0.00 0.04 0.00 0.00 34.50 30.65 3dp1 s PRO 63 CO -0.17 -1.15 0.01 0.42 0.04 0.00 0.00 177.00 176.16 3dp1 s ILE 64 N 4.97 0.47 0.04 0.56 1.01 -0.25 -4.56 121.20 123.43 3dp1 s ILE 64 Ca 0.79 -0.19 -0.32 0.00 0.00 0.00 0.00 60.65 60.92 3dp1 s ILE 64 Cb -0.32 -0.77 -0.11 0.00 0.01 0.00 0.00 42.46 41.26 3dp1 s ILE 64 CO 0.32 0.06 1.84 0.33 0.00 0.00 0.00 174.94 177.50 3dp1 n PHE 65 N 5.10 2.44 -1.65 3.97 7.35 0.33 -4.62 117.46 130.39 3dp1 n PHE 65 Ca -0.08 -0.08 -0.49 0.00 -0.76 0.00 0.00 57.45 56.04 3dp1 n PHE 65 Cb 0.49 -2.69 -0.05 0.00 0.35 0.00 0.00 39.48 37.57 3dp1 n PHE 65 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3dp1 n PRO 66 N 6.04 1.79 -0.33 -7.13 -0.02 -1.26 -4.61 135.00 129.48 3dp1 n PRO 66 Ca 0.20 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.38 3dp1 n PRO 66 Cb 0.34 -2.37 0.22 0.00 -0.02 0.00 0.00 33.50 31.66 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 5.74 1.50 2.00 -1.23 0.00 -1.98 -0.51 103.07 108.58 3dp1 h GLY 67 Ca -0.46 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.47 3dp1 h GLY 67 CO 0.86 0.11 -0.16 -0.39 0.00 0.00 0.00 176.54 176.96 3dp1 h VAL 68 N 0.87 0.92 0.00 4.60 -1.51 -2.00 -1.74 116.25 117.38 3dp1 h VAL 68 Ca 0.47 -0.58 -0.05 0.00 -1.23 0.00 0.00 66.70 65.30 3dp1 h VAL 68 Cb 0.49 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 3dp1 h VAL 68 CO -0.28 0.16 -0.23 -0.07 -1.23 0.00 0.00 177.57 175.92 3dp1 h LEU 69 N 0.00 0.00 -0.24 4.19 3.38 -1.46 -0.94 115.31 120.25 3dp1 h LEU 69 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3dp1 h LEU 69 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3dp1 h LEU 69 CO 0.02 0.23 -0.13 0.40 0.09 0.00 0.00 178.44 179.05 3dp1 h ILE 70 N 0.00 1.30 -0.62 1.22 2.04 -1.04 0.75 117.51 121.16 3dp1 h ILE 70 Ca -0.00 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 3dp1 h ILE 70 Cb 1.06 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 3dp1 h ILE 70 CO 0.03 0.38 0.30 0.58 0.00 0.00 0.00 178.15 179.43 3dp1 h VAL 71 N 0.22 1.20 -0.52 1.67 2.07 -1.29 -0.26 116.25 119.35 3dp1 h VAL 71 Ca 0.05 -0.58 -0.10 0.00 0.82 0.00 0.00 66.70 66.90 3dp1 h VAL 71 Cb 0.64 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3dp1 h VAL 71 CO 0.04 0.24 -0.06 -0.08 0.02 0.00 0.00 177.57 177.73 3dp1 h GLU 72 N 0.88 0.96 -0.65 1.57 4.57 -0.88 -0.35 114.58 120.68 3dp1 h GLU 72 Ca 0.22 -0.34 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 3dp1 h GLU 72 Cb 0.10 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3dp1 h GLU 72 CO -0.03 1.00 0.20 0.78 -1.18 0.00 0.00 179.01 179.78 3dp1 h GLY 73 N 0.83 1.06 1.12 1.92 0.00 -0.12 -0.02 103.07 107.87 3dp1 h GLY 73 Ca 0.14 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 3dp1 h GLY 73 CO 0.04 0.57 -0.03 -0.33 0.00 0.00 0.00 176.54 176.79 3dp1 h MET 74 N 0.96 1.04 -0.50 4.80 2.86 -0.76 -1.53 114.93 121.80 3dp1 h MET 74 Ca 0.21 -0.34 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3dp1 h MET 74 Cb 0.28 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3dp1 h MET 74 CO -0.01 1.03 0.17 0.00 1.06 0.00 0.00 176.91 179.16 3dp1 h ALA 75 N 1.01 0.66 -0.50 6.32 0.00 -0.42 -0.65 119.26 125.67 3dp1 h ALA 75 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dp1 h ALA 75 Cb 0.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3dp1 h ALA 75 CO 0.03 0.31 0.32 1.96 0.00 0.00 0.00 179.25 181.88 3dp1 h GLN 76 N 0.68 0.67 -0.71 0.00 4.20 -0.82 0.10 115.11 119.24 3dp1 h GLN 76 Ca 0.16 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 3dp1 h GLN 76 Cb 0.26 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3dp1 h GLN 76 CO -0.01 0.46 0.43 0.77 -0.67 0.00 0.00 178.83 179.81 3dp1 h SER 77 N 0.68 0.85 -0.36 1.46 0.02 -0.98 -0.89 113.55 114.33 3dp1 h SER 77 Ca 0.18 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3dp1 h SER 77 Cb -0.06 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 3dp1 h SER 77 CO -0.04 0.66 0.23 1.23 -1.14 0.00 0.00 176.83 177.77 3dp1 h GLY 78 N 0.96 0.51 1.00 -3.77 0.00 -0.51 -0.87 103.07 100.39 3dp1 h GLY 78 Ca 0.25 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.41 3dp1 h GLY 78 CO -0.05 0.20 0.61 -1.33 0.00 0.00 0.00 176.54 175.96 3dp1 h GLY 79 N 0.48 1.32 1.42 4.60 0.00 -0.24 0.20 103.07 110.85 3dp1 h GLY 79 Ca 0.13 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 3dp1 h GLY 79 CO -0.03 0.41 -0.29 -2.75 0.00 0.00 0.00 176.54 173.88 3dp1 h PHE 80 N 1.18 0.76 0.42 5.60 3.04 -0.84 -0.36 116.94 126.75 3dp1 h PHE 80 Ca 0.36 -0.19 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 3dp1 h PHE 80 Cb -0.02 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.32 3dp1 h PHE 80 CO -0.00 0.88 -0.20 1.25 -2.02 0.00 0.00 178.31 178.21 3dp1 h LEU 81 N 0.57 -0.48 0.28 0.59 5.85 0.13 -1.15 115.31 121.09 3dp1 h LEU 81 Ca 0.07 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3dp1 h LEU 81 Cb 0.78 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 3dp1 h LEU 81 CO 0.06 -0.23 -0.44 0.00 -0.34 0.00 0.00 178.44 177.49 3dp1 h ALA 82 N -0.20 -0.89 -0.34 1.25 0.00 -0.57 -0.74 119.26 117.76 3dp1 h ALA 82 Ca -0.06 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3dp1 h ALA 82 Cb 0.51 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 3dp1 h ALA 82 CO 0.10 -1.05 -0.12 0.35 0.00 0.00 0.00 179.25 178.52 3dp1 h PHE 83 N -0.79 -0.29 0.00 0.00 3.57 -1.07 -1.50 116.94 116.87 3dp1 h PHE 83 Ca -0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3dp1 h PHE 83 Cb 0.74 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 3dp1 h PHE 83 CO -0.31 -0.20 -0.18 1.79 -2.23 0.00 0.00 178.31 177.19 3dp1 h THR 84 N -0.06 0.76 -0.39 4.41 1.35 -1.02 -1.53 112.91 116.42 3dp1 h THR 84 Ca 0.17 -0.73 -0.09 0.00 -0.55 0.00 0.00 66.41 65.21 3dp1 h THR 84 Cb 0.31 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 3dp1 h THR 84 CO -0.38 0.18 -0.12 0.28 -0.25 0.00 0.00 175.52 175.23 3dp1 h SER 85 N 0.00 0.79 -0.14 5.36 0.02 -0.12 0.14 113.55 119.60 3dp1 h SER 85 Ca -0.00 -0.37 -0.10 0.00 -0.84 0.00 0.00 61.79 60.48 3dp1 h SER 85 Cb 0.43 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3dp1 h SER 85 CO 0.02 0.98 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.32 3dp1 h LEU 86 N 0.58 0.50 -0.97 5.07 -0.00 -0.86 -3.41 115.31 116.22 3dp1 h LEU 86 Ca 0.10 -0.57 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 3dp1 h LEU 86 Cb 0.65 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 3dp1 h LEU 86 CO 0.04 0.97 0.00 0.79 -0.00 0.00 0.00 178.44 180.25 3dp1 n TRP 87 N -4.40 0.00 -4.57 1.13 8.01 -0.63 -5.13 117.44 111.85 3dp1 n TRP 87 Ca -0.07 -0.08 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 3dp1 n TRP 87 Cb 0.47 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.77 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 -0.08 -0.44 3.56 6.99 0.00 0.47 -4.24 105.19 111.45 3dp1 n GLY 88 Ca 0.00 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 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 2.39 -0.40 1.61 5.36 -1.26 -4.45 117.98 121.23 3dp1 s PHE 89 Ca 0.00 -0.57 0.01 0.00 -0.96 0.00 0.00 56.93 55.42 3dp1 s PHE 89 Cb 0.00 -4.56 0.13 0.00 -0.34 0.00 0.00 43.02 38.25 3dp1 s PHE 89 CO 0.00 -1.88 0.19 0.34 -1.46 0.00 0.00 175.22 172.42 3dp1 s ASP 90 N 5.58 3.74 0.23 6.13 -1.08 -1.26 -4.99 116.67 125.02 3dp1 s ASP 90 Ca 0.52 -2.33 -0.06 0.00 -0.52 0.00 0.00 52.55 50.15 3dp1 s ASP 90 Cb -0.01 -0.97 0.32 0.00 -1.46 0.00 0.00 42.92 40.80 3dp1 s ASP 90 CO -0.06 -0.31 1.83 -0.65 0.52 0.00 0.00 175.17 176.50 3dp1 h PRO 91 N 7.12 0.85 -0.28 4.34 0.11 -1.90 -0.69 132.00 141.55 3dp1 h PRO 91 Ca -0.04 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.03 3dp1 h PRO 91 Cb 0.96 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 3dp1 h PRO 91 CO 0.47 0.56 0.17 1.49 -0.21 0.00 0.00 178.00 180.48 3dp1 h GLU 92 N 0.87 0.34 0.00 1.05 4.81 -1.94 -2.02 114.58 117.69 3dp1 h GLU 92 Ca 0.36 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 3dp1 h GLU 92 Cb 0.20 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3dp1 h GLU 92 CO -0.19 0.22 -0.57 0.82 -0.73 0.00 0.00 179.01 178.56 3dp1 h ILE 93 N 0.35 1.39 -0.82 2.32 2.04 -1.92 -3.05 117.51 117.82 3dp1 h ILE 93 Ca 0.11 -1.98 0.04 0.00 1.00 0.00 0.00 64.86 64.02 3dp1 h ILE 93 Cb -0.01 2.08 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 3dp1 h ILE 93 CO -0.04 0.56 0.54 0.00 0.00 0.00 0.00 178.15 179.21 3dp1 h ALA 94 N 1.43 1.51 0.00 1.87 0.00 -0.44 -1.03 119.26 122.60 3dp1 h ALA 94 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dp1 h ALA 94 Cb 1.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dp1 h ALA 94 CO 0.07 0.40 0.00 1.63 0.00 0.00 0.00 179.25 181.35 3dp1 n LYS 95 N -4.45 0.18 -0.15 0.00 5.02 -0.86 -2.35 118.16 115.55 3dp1 n LYS 95 Ca 0.11 0.51 0.08 0.00 -2.02 0.00 0.00 58.31 56.99 3dp1 n LYS 95 Cb 0.13 -1.92 0.16 0.00 -0.02 0.00 0.00 35.03 33.38 3dp1 n LYS 95 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3dp1 n THR 96 N -2.28 0.58 -4.44 -0.18 -2.24 -0.40 -4.87 114.28 100.45 3dp1 n THR 96 Ca 0.01 -0.79 -0.24 0.00 -2.27 0.00 0.00 64.05 60.76 3dp1 n THR 96 Cb 0.16 0.86 -0.10 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.17 1.60 -0.04 -0.78 -0.14 -0.99 0.14 119.74 118.36 3dp1 s LYS 97 Ca 0.29 -1.68 -0.12 0.00 -1.36 0.00 0.00 55.97 53.10 3dp1 s LYS 97 Cb 0.16 -1.73 0.02 0.00 -1.68 0.00 0.00 37.83 34.61 3dp1 s LYS 97 CO 0.23 0.34 0.26 0.96 -0.76 0.00 0.00 175.35 176.38 3dp1 s ILE 98 N -2.30 0.04 -0.24 2.17 -4.36 -0.31 -4.59 121.20 111.61 3dp1 s ILE 98 Ca 0.26 -0.37 -0.01 0.00 -0.26 0.00 0.00 60.65 60.28 3dp1 s ILE 98 Cb -0.06 -0.51 0.07 0.00 1.25 0.00 0.00 42.46 43.22 3dp1 s ILE 98 CO 0.13 -0.20 0.01 0.54 0.24 0.00 0.00 174.94 175.65 3dp1 s VAL 99 N -0.86 1.12 0.10 8.37 0.11 -1.26 -1.01 120.40 126.97 3dp1 s VAL 99 Ca -0.09 -1.08 -0.13 0.00 -2.93 0.00 0.00 61.98 57.74 3dp1 s VAL 99 Cb -0.05 -1.56 -0.06 0.00 -1.53 0.00 0.00 36.38 33.18 3dp1 s VAL 99 CO 0.02 -0.26 0.48 -0.31 -3.33 0.00 0.00 175.10 171.71 3dp1 s TYR 100 N 1.56 3.63 -0.19 1.54 1.51 -0.93 -4.85 117.35 119.63 3dp1 s TYR 100 Ca -0.01 0.98 -0.20 0.00 -1.01 0.00 0.00 57.07 56.83 3dp1 s TYR 100 Cb -0.18 -2.30 -0.03 0.00 -0.11 0.00 0.00 41.96 39.34 3dp1 s TYR 100 CO -0.10 0.50 0.59 -0.06 -1.11 0.00 0.00 175.55 175.37 3dp1 s PHE 101 N -1.36 3.39 -0.10 2.71 0.08 -1.26 -1.04 117.98 120.39 3dp1 s PHE 101 Ca 0.33 0.89 -0.14 0.00 0.12 0.00 0.00 56.93 58.13 3dp1 s PHE 101 Cb -0.15 -2.75 -0.27 0.00 -0.57 0.00 0.00 43.02 39.28 3dp1 s PHE 101 CO 0.18 -0.12 0.54 0.52 -0.10 0.00 0.00 175.22 176.23 3dp1 h MET 102 N 7.41 0.26 -4.22 0.44 2.86 -1.27 -3.49 114.93 116.92 3dp1 h MET 102 Ca -0.33 -0.44 -0.13 0.00 -2.06 0.00 0.00 59.70 56.74 3dp1 h MET 102 Cb 1.15 0.16 -0.15 0.00 0.06 0.00 0.00 31.60 32.83 3dp1 h MET 102 CO 0.76 1.21 -0.62 0.95 1.06 0.00 0.00 176.91 180.27 3dp1 s THR 103 N -2.49 0.18 -0.03 2.22 -4.23 -1.17 -5.00 115.64 105.11 3dp1 s THR 103 Ca -0.20 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3dp1 s THR 103 Cb 0.05 -1.63 0.03 0.00 1.34 0.00 0.00 72.50 72.28 3dp1 s THR 103 CO 0.77 -0.81 0.02 -0.63 -0.54 0.00 0.00 174.62 173.43 3dp1 s ILE 104 N -3.95 0.07 0.05 2.99 1.01 -1.26 -1.79 121.20 118.33 3dp1 s ILE 104 Ca 0.11 0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 3dp1 s ILE 104 Cb 0.07 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.31 3dp1 s ILE 104 CO -0.07 0.13 -0.01 -1.81 0.00 0.00 0.00 174.94 173.18 3dp1 s ASP 105 N 1.17 0.46 -1.50 3.58 1.11 0.16 -4.93 116.67 116.71 3dp1 s ASP 105 Ca -0.08 -0.97 -0.03 0.00 0.18 0.00 0.00 52.55 51.66 3dp1 s ASP 105 Cb -0.13 0.21 0.02 0.00 1.07 0.00 0.00 42.92 44.09 3dp1 s ASP 105 CO -0.02 -0.61 0.32 0.29 1.18 0.00 0.00 175.17 176.34 3dp1 n LYS 106 N 0.12 -2.44 -3.56 8.23 5.02 -1.26 -0.55 118.16 123.72 3dp1 n LYS 106 Ca -0.14 0.29 -0.38 0.00 -2.02 0.00 0.00 58.31 56.06 3dp1 n LYS 106 Cb 0.61 -4.29 -0.06 0.00 -0.02 0.00 0.00 35.03 31.27 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 -4.01 5.16 -0.01 -0.18 0.11 -1.26 -3.88 120.40 116.34 3dp1 s VAL 107 Ca 0.10 0.70 0.01 0.00 -2.93 0.00 0.00 61.98 59.86 3dp1 s VAL 107 Cb -0.06 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 3dp1 s VAL 107 CO 0.93 0.54 -0.03 -0.54 -3.33 0.00 0.00 175.10 172.68 3dp1 s LYS 108 N -0.75 0.24 -0.24 1.54 1.02 -0.94 -4.94 119.74 115.67 3dp1 s LYS 108 Ca 0.21 -0.08 -0.05 0.00 0.02 0.00 0.00 55.97 56.07 3dp1 s LYS 108 Cb -0.15 -0.26 -0.01 0.00 -0.52 0.00 0.00 37.83 36.89 3dp1 s LYS 108 CO 0.10 0.04 0.01 -0.06 -0.92 0.00 0.00 175.35 174.52 3dp1 s PHE 109 N 0.06 3.02 -0.21 3.18 0.40 -1.26 -1.33 117.98 121.84 3dp1 s PHE 109 Ca -0.00 -0.76 0.10 0.00 -0.60 0.00 0.00 56.93 55.67 3dp1 s PHE 109 Cb -0.03 -2.17 -0.20 0.00 0.51 0.00 0.00 43.02 41.13 3dp1 s PHE 109 CO -0.00 -0.48 -0.06 0.54 0.70 0.00 0.00 175.22 175.91 3dp1 n ARG 110 N 4.85 0.76 -3.76 0.44 1.74 -0.25 -4.99 116.66 115.44 3dp1 n ARG 110 Ca -0.17 0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 56.83 3dp1 n ARG 110 Cb 0.51 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 30.31 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 -2.48 -0.05 0.54 0.55 1.01 -1.17 -5.04 121.20 114.57 3dp1 s ILE 111 Ca -0.20 0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.42 3dp1 s ILE 111 Cb 0.07 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 42.31 3dp1 s ILE 111 CO 0.69 0.07 1.34 -2.16 0.00 0.00 0.00 174.94 174.88 3dp1 s PRO 112 N 1.07 3.18 -0.14 2.79 0.04 -1.26 -4.80 135.00 135.88 3dp1 s PRO 112 Ca -0.09 2.18 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 3dp1 s PRO 112 Cb -0.11 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 3dp1 s PRO 112 CO -0.05 -1.15 0.04 0.08 0.04 0.00 0.00 177.00 175.97 3dp1 s VAL 113 N -1.33 4.60 0.17 -0.36 1.01 -1.26 -5.03 120.40 118.19 3dp1 s VAL 113 Ca 0.71 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.57 3dp1 s VAL 113 Cb -0.39 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3dp1 s VAL 113 CO 0.46 0.54 0.07 0.42 0.00 0.00 0.00 175.10 176.59 3dp1 s THR 114 N -0.25 0.24 0.14 3.92 -4.23 -1.26 -0.52 115.64 113.68 3dp1 s THR 114 Ca 0.07 -1.96 -0.35 0.00 -1.18 0.00 0.00 61.69 58.27 3dp1 s THR 114 Cb -0.12 -2.27 -0.16 0.00 1.34 0.00 0.00 72.50 71.30 3dp1 s THR 114 CO 0.02 -0.27 1.34 -2.65 -0.54 0.00 0.00 174.62 172.51 3dp1 n PRO 115 N -0.22 1.41 0.00 3.99 -0.02 -1.26 -1.23 135.00 137.66 3dp1 n PRO 115 Ca -0.03 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3dp1 n PRO 115 Cb 0.65 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 2.50 0.68 3.84 -1.23 0.00 0.12 -4.91 105.19 106.20 3dp1 n GLY 116 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.90 6.85 -0.60 1.61 -0.00 -0.37 -4.92 116.67 117.34 3dp1 s ASP 117 Ca 0.00 1.18 -0.11 0.00 -0.00 0.00 0.00 52.55 53.62 3dp1 s ASP 117 Cb 0.00 -2.33 0.15 0.00 -0.00 0.00 0.00 42.92 40.74 3dp1 s ASP 117 CO 0.00 0.01 0.51 -0.60 -0.00 0.00 0.00 175.17 175.09 3dp1 s ARG 118 N -2.25 2.92 -0.49 8.23 3.52 -1.26 -1.03 118.95 128.59 3dp1 s ARG 118 Ca 0.43 -2.04 -0.29 0.00 -0.13 0.00 0.00 55.73 53.71 3dp1 s ARG 118 Cb -0.14 -4.13 0.02 0.00 -1.56 0.00 0.00 34.95 29.14 3dp1 s ARG 118 CO 0.20 -1.25 1.26 -1.17 -0.81 0.00 0.00 175.30 173.52 3dp1 s LEU 119 N 0.91 3.56 -0.29 -0.88 2.96 -0.81 -4.40 118.68 119.72 3dp1 s LEU 119 Ca 0.10 0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 54.37 3dp1 s LEU 119 Cb -0.22 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 3dp1 s LEU 119 CO -0.02 -1.40 0.19 -0.70 -1.32 0.00 0.00 176.35 173.10 3dp1 s GLU 120 N 4.81 3.79 -0.11 1.98 2.12 0.45 -1.14 118.70 130.62 3dp1 s GLU 120 Ca 0.51 -0.43 -0.20 0.00 0.36 0.00 0.00 54.97 55.22 3dp1 s GLU 120 Cb -0.09 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 3dp1 s GLU 120 CO 0.30 -0.26 0.55 0.71 -0.54 0.00 0.00 175.26 176.03 3dp1 s TYR 121 N 1.74 3.53 -0.30 5.30 1.51 0.10 0.36 117.35 129.58 3dp1 s TYR 121 Ca 0.07 1.00 0.03 0.00 -1.01 0.00 0.00 57.07 57.15 3dp1 s TYR 121 Cb -0.16 -2.64 0.08 0.00 -0.11 0.00 0.00 41.96 39.13 3dp1 s TYR 121 CO 0.10 0.13 0.00 -1.01 -1.11 0.00 0.00 175.55 173.66 3dp1 s HIS 122 N 0.74 3.12 0.10 2.71 3.76 0.99 -1.74 115.29 124.97 3dp1 s HIS 122 Ca 0.30 -2.44 0.10 0.00 -0.15 0.00 0.00 55.06 52.86 3dp1 s HIS 122 Cb -0.16 -2.28 -0.04 0.00 1.11 0.00 0.00 32.58 31.21 3dp1 s HIS 122 CO 0.13 -0.89 -0.24 -0.51 -0.85 0.00 0.00 174.74 172.38 3dp1 s LEU 123 N 1.14 2.39 0.02 0.89 2.01 -0.60 -0.97 118.68 123.56 3dp1 s LEU 123 Ca 0.03 -0.63 0.01 0.00 0.01 0.00 0.00 54.13 53.55 3dp1 s LEU 123 Cb -0.19 -1.34 -0.01 0.00 0.01 0.00 0.00 46.19 44.66 3dp1 s LEU 123 CO -0.09 0.21 -0.04 -1.83 1.01 0.00 0.00 176.35 175.61 3dp1 s GLU 124 N -1.79 0.32 -0.15 1.70 -1.05 -0.18 -0.58 118.70 116.96 3dp1 s GLU 124 Ca 0.14 -0.46 -0.29 0.00 -0.15 0.00 0.00 54.97 54.21 3dp1 s GLU 124 Cb -0.10 -0.09 -0.03 0.00 -0.44 0.00 0.00 34.13 33.47 3dp1 s GLU 124 CO 0.06 0.01 1.42 0.08 0.95 0.00 0.00 175.26 177.77 3dp1 s VAL 125 N -0.95 4.01 -0.09 1.83 1.01 0.11 -1.80 120.40 124.51 3dp1 s VAL 125 Ca -0.09 1.21 0.15 0.00 0.00 0.00 0.00 61.98 63.25 3dp1 s VAL 125 Cb -0.07 -3.82 -0.18 0.00 0.00 0.00 0.00 36.38 32.32 3dp1 s VAL 125 CO -0.00 -0.15 0.74 0.18 0.00 0.00 0.00 175.10 175.87 3dp1 n LEU 126 N 7.01 0.85 -3.64 3.92 4.77 0.28 -4.95 117.00 125.23 3dp1 n LEU 126 Ca 0.15 0.38 -0.05 0.00 -0.03 0.00 0.00 56.01 56.47 3dp1 n LEU 126 Cb 0.44 0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 3dp1 n LEU 126 CO 0.59 0.24 0.85 -0.75 -1.33 0.00 0.00 177.39 177.00 3dp1 s LYS 127 N -2.79 0.33 -0.24 3.23 2.20 -0.75 -4.97 119.74 116.74 3dp1 s LYS 127 Ca -0.04 0.44 -0.02 0.00 -0.36 0.00 0.00 55.97 55.99 3dp1 s LYS 127 Cb 0.08 0.13 0.07 0.00 -1.51 0.00 0.00 37.83 36.61 3dp1 s LYS 127 CO 0.82 -0.05 0.05 -1.58 -0.36 0.00 0.00 175.35 174.23 3dp1 s HIS 128 N 0.52 1.35 -0.28 4.03 5.65 -1.26 -0.04 115.29 125.25 3dp1 s HIS 128 Ca 0.00 -1.23 0.01 0.00 0.25 0.00 0.00 55.06 54.09 3dp1 s HIS 128 Cb -0.04 -1.29 0.08 0.00 -1.18 0.00 0.00 32.58 30.15 3dp1 s HIS 128 CO -0.11 -0.72 0.04 0.15 -0.65 0.00 0.00 174.74 173.45 3dp1 s LYS 129 N 1.75 1.15 7.51 2.88 3.01 -0.56 -5.03 119.74 130.44 3dp1 s LYS 129 Ca 0.02 -1.16 0.00 0.00 -1.01 0.00 0.00 55.97 53.82 3dp1 s LYS 129 Cb -0.17 -2.44 0.00 0.00 -1.01 0.00 0.00 37.83 34.20 3dp1 s LYS 129 CO -0.15 -0.83 0.00 0.41 0.51 0.00 0.00 175.35 175.30 3dp1 n GLY 130 N 4.68 2.71 0.02 -3.33 0.00 -1.26 -1.92 105.19 106.10 3dp1 n GLY 130 Ca -0.04 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 13.09 0.09 -3.16 1.61 2.81 -1.26 -4.86 117.12 125.44 3dp1 n MET 131 Ca 0.00 -0.04 -0.39 0.00 -1.81 0.00 0.00 57.70 55.46 3dp1 n MET 131 Cb 0.00 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 30.96 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 -2.94 5.10 -0.07 2.02 -1.09 -0.81 -0.27 121.20 123.14 3dp1 s ILE 132 Ca 0.13 1.24 0.03 0.00 -2.23 0.00 0.00 60.65 59.82 3dp1 s ILE 132 Cb 0.18 -3.94 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 3dp1 s ILE 132 CO 0.64 0.29 -0.17 0.26 -1.23 0.00 0.00 174.94 174.73 3dp1 s TRP 133 N 0.67 1.84 -0.20 3.97 0.52 0.48 -1.50 118.94 124.72 3dp1 s TRP 133 Ca 0.33 -0.70 -0.01 0.00 0.02 0.00 0.00 56.10 55.74 3dp1 s TRP 133 Cb -0.17 -1.29 0.01 0.00 -1.15 0.00 0.00 33.47 30.87 3dp1 s TRP 133 CO 0.15 -0.31 -0.13 -1.14 0.02 0.00 0.00 176.95 175.54 3dp1 s GLN 134 N 0.48 3.16 0.21 4.98 0.74 0.94 0.28 119.66 130.46 3dp1 s GLN 134 Ca -0.15 -0.74 0.10 0.00 0.05 0.00 0.00 55.36 54.62 3dp1 s GLN 134 Cb -0.16 -2.76 -0.05 0.00 1.10 0.00 0.00 33.01 31.14 3dp1 s GLN 134 CO 0.05 -0.20 -0.20 0.14 -0.55 0.00 0.00 175.29 174.54 3dp1 s VAL 135 N 1.37 2.12 0.15 1.34 -7.23 0.74 1.00 120.40 119.89 3dp1 s VAL 135 Ca 0.05 -2.13 -0.19 0.00 -1.81 0.00 0.00 61.98 57.90 3dp1 s VAL 135 Cb -0.14 -2.07 0.05 0.00 0.56 0.00 0.00 36.38 34.78 3dp1 s VAL 135 CO -0.09 -0.34 0.50 -0.83 -0.31 0.00 0.00 175.10 174.04 3dp1 s GLY 136 N -3.01 -0.36 0.00 2.32 0.00 -0.74 -0.37 107.32 105.16 3dp1 s GLY 136 Ca 0.22 0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.04 3dp1 s GLY 136 CO 0.10 -0.13 0.00 0.61 0.00 0.00 0.00 173.10 173.68 3dp1 n GLY 137 N -0.31 -0.64 3.21 0.20 0.00 -0.37 -1.02 105.19 106.26 3dp1 n GLY 137 Ca -0.15 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 0.06 -0.09 2.61 -4.23 -0.15 -1.89 115.64 107.95 3dp1 s THR 138 Ca 0.00 -1.86 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 3dp1 s THR 138 Cb 0.00 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 3dp1 s THR 138 CO 0.00 -0.27 -0.19 0.00 -0.54 0.00 0.00 174.62 173.62 3dp1 s ALA 139 N -4.08 2.41 0.05 3.99 0.00 0.05 -0.01 121.76 124.17 3dp1 s ALA 139 Ca 0.28 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.33 3dp1 s ALA 139 Cb 0.07 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 3dp1 s ALA 139 CO 0.05 0.35 -0.14 -0.65 0.00 0.00 0.00 175.76 175.38 3dp1 s GLN 140 N 0.04 0.88 -0.13 0.00 -0.21 0.16 -0.42 119.66 119.98 3dp1 s GLN 140 Ca -0.07 -0.80 -0.00 0.00 0.02 0.00 0.00 55.36 54.50 3dp1 s GLN 140 Cb -0.15 -0.88 0.03 0.00 1.00 0.00 0.00 33.01 33.01 3dp1 s GLN 140 CO 0.05 0.21 -0.08 0.08 -2.12 0.00 0.00 175.29 173.43 3dp1 s VAL 141 N -0.97 1.12 -1.43 1.09 1.01 -0.55 -0.41 120.40 120.26 3dp1 s VAL 141 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 3dp1 s VAL 141 Cb -0.08 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.18 3dp1 s VAL 141 CO 0.01 0.32 0.82 -0.67 0.00 0.00 0.00 175.10 175.59 3dp1 n ASP 142 N 4.90 -2.94 0.00 3.32 4.64 -1.26 -1.91 116.55 123.30 3dp1 n ASP 142 Ca -0.13 -0.81 0.00 0.00 -1.38 0.00 0.00 54.79 52.47 3dp1 n ASP 142 Cb 0.49 -3.90 0.00 0.00 -1.04 0.00 0.00 41.12 36.68 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 -1.66 2.99 3.84 0.27 0.00 -1.26 -5.01 105.19 104.36 3dp1 n GLY 143 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.06 4.01 -0.20 1.61 1.02 -0.80 -5.04 119.74 120.28 3dp1 s LYS 144 Ca 0.00 0.53 -0.29 0.00 0.02 0.00 0.00 55.97 56.23 3dp1 s LYS 144 Cb 0.00 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 3dp1 s LYS 144 CO 0.00 0.50 1.06 0.08 -0.92 0.00 0.00 175.35 176.08 3dp1 s VAL 145 N -1.41 4.64 -0.04 3.17 1.01 -1.26 -1.48 120.40 125.04 3dp1 s VAL 145 Ca 0.36 1.97 0.18 0.00 0.00 0.00 0.00 61.98 64.49 3dp1 s VAL 145 Cb -0.16 -4.27 -0.28 0.00 0.00 0.00 0.00 36.38 31.68 3dp1 s VAL 145 CO 0.19 -0.14 0.40 1.33 0.00 0.00 0.00 175.10 176.88 3dp1 n VAL 146 N 5.17 0.00 -3.49 2.92 0.24 0.44 -4.53 118.33 119.09 3dp1 n VAL 146 Ca 0.12 -0.41 -0.15 0.00 -2.04 0.00 0.00 64.34 61.86 3dp1 n VAL 146 Cb 0.46 0.10 -0.04 0.00 -1.47 0.00 0.00 33.84 32.89 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 -3.24 -1.72 0.13 2.33 0.00 -1.13 -1.09 121.76 117.03 3dp1 s ALA 147 Ca -0.06 1.03 0.06 0.00 0.00 0.00 0.00 51.96 52.98 3dp1 s ALA 147 Cb 0.12 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 3dp1 s ALA 147 CO 0.75 -0.52 -0.14 -1.21 0.00 0.00 0.00 175.76 174.64 3dp1 s GLU 148 N -2.19 1.06 -0.24 0.00 2.02 -0.44 -0.77 118.70 118.15 3dp1 s GLU 148 Ca -0.05 -1.30 -0.29 0.00 0.02 0.00 0.00 54.97 53.35 3dp1 s GLU 148 Cb -0.00 -0.90 0.16 0.00 0.10 0.00 0.00 34.13 33.49 3dp1 s GLU 148 CO 0.00 0.16 1.20 0.00 0.02 0.00 0.00 175.26 176.65 3dp1 s ALA 149 N -2.35 -2.04 0.02 5.21 0.00 -0.79 -2.21 121.76 119.59 3dp1 s ALA 149 Ca 0.11 1.75 0.07 0.00 0.00 0.00 0.00 51.96 53.90 3dp1 s ALA 149 Cb -0.04 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 3dp1 s ALA 149 CO 0.03 -0.25 -0.22 -1.21 0.00 0.00 0.00 175.76 174.11 3dp1 s GLU 150 N -0.87 1.54 -0.02 0.00 2.02 0.29 -1.24 118.70 120.42 3dp1 s GLU 150 Ca 0.04 -0.91 -0.18 0.00 0.02 0.00 0.00 54.97 53.94 3dp1 s GLU 150 Cb -0.01 -1.61 0.03 0.00 0.10 0.00 0.00 34.13 32.64 3dp1 s GLU 150 CO -0.05 0.42 0.39 -0.48 0.02 0.00 0.00 175.26 175.57 3dp1 s LEU 151 N -0.97 0.52 0.00 1.80 2.34 0.50 0.39 118.68 123.26 3dp1 s LEU 151 Ca 0.08 0.21 0.07 0.00 0.06 0.00 0.00 54.13 54.55 3dp1 s LEU 151 Cb -0.09 1.55 -0.02 0.00 -0.56 0.00 0.00 46.19 47.07 3dp1 s LEU 151 CO 0.01 -0.49 -0.23 -0.75 -1.06 0.00 0.00 176.35 173.83 3dp1 s LYS 152 N -1.36 1.75 0.17 1.48 2.20 -0.74 -0.18 119.74 123.06 3dp1 s LYS 152 Ca -0.13 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.63 3dp1 s LYS 152 Cb -0.04 -1.74 -0.04 0.00 -1.51 0.00 0.00 37.83 34.49 3dp1 s LYS 152 CO 0.05 0.47 0.04 0.00 -0.36 0.00 0.00 175.35 175.55 3dp1 s ALA 153 N -0.61 1.24 -0.03 3.13 0.00 0.14 -0.73 121.76 124.91 3dp1 s ALA 153 Ca 0.09 -1.60 0.05 0.00 0.00 0.00 0.00 51.96 50.49 3dp1 s ALA 153 Cb -0.09 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 3dp1 s ALA 153 CO -0.00 -0.41 -0.16 1.41 0.00 0.00 0.00 175.76 176.60 3dp1 s MET 154 N -3.99 1.52 -0.01 0.00 1.75 -0.21 -0.39 119.30 117.98 3dp1 s MET 154 Ca 0.27 -0.58 -0.17 0.00 -1.25 0.00 0.00 55.69 53.96 3dp1 s MET 154 Cb 0.07 -1.39 -0.06 0.00 2.84 0.00 0.00 34.83 36.29 3dp1 s MET 154 CO 0.05 0.29 0.48 0.42 -0.65 0.00 0.00 175.02 175.61 3dp1 s ILE 155 N -0.14 4.98 0.16 10.11 -1.09 0.63 -2.20 121.20 133.65 3dp1 s ILE 155 Ca 0.01 0.99 -0.15 0.00 -2.23 0.00 0.00 60.65 59.27 3dp1 s ILE 155 Cb -0.09 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 37.01 3dp1 s ILE 155 CO 0.01 0.50 0.43 0.00 -1.23 0.00 0.00 174.94 174.64 3dp1 s ALA 156 N -0.61 -0.75 0.16 9.38 0.00 -0.18 -4.85 121.76 124.91 3dp1 s ALA 156 Ca 0.26 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 3dp1 s ALA 156 Cb -0.17 0.78 -0.07 0.00 0.00 0.00 0.00 23.12 23.66 3dp1 s ALA 156 CO 0.14 -0.71 1.06 -2.00 0.00 0.00 0.00 175.76 174.26 3dp1 s GLU 157 N -3.86 4.63 0.00 0.00 2.56 -1.26 -1.16 118.70 119.60 3dp1 s GLU 157 Ca 0.08 1.64 0.00 0.00 0.00 0.00 0.00 54.97 56.70 3dp1 s GLU 157 Cb 0.01 -3.30 0.00 0.00 2.00 0.00 0.00 34.13 32.84 3dp1 s GLU 157 CO -0.06 0.13 0.47 -2.13 -0.56 0.00 0.00 175.26 173.11