#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3n s ILE 6 N 0.00 3.93 -0.23 12.58 -4.36 -0.15 -4.87 121.20 128.10 3a3n s ILE 6 Ca 0.00 -1.51 -0.06 0.00 -0.26 0.00 0.00 60.65 58.82 3a3n s ILE 6 Cb 0.00 -3.05 -0.02 0.00 1.25 0.00 0.00 42.46 40.63 3a3n s ILE 6 CO 0.00 -0.24 0.03 -0.60 0.24 0.00 0.00 174.94 174.37 3a3n s ARG 7 N -3.39 3.60 0.37 0.37 3.52 -1.26 -1.46 118.95 120.70 3a3n s ARG 7 Ca 0.30 -0.51 0.07 0.00 -0.13 0.00 0.00 55.73 55.47 3a3n s ARG 7 Cb -0.08 -3.21 -0.07 0.00 -1.56 0.00 0.00 34.95 30.03 3a3n s ARG 7 CO 0.21 -0.13 -0.02 0.14 -0.81 0.00 0.00 175.30 174.69 3a3n s VAL 8 N 1.41 1.94 -0.19 7.11 -7.23 -0.46 -3.27 120.40 119.71 3a3n s VAL 8 Ca 0.05 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 3a3n s VAL 8 Cb -0.15 -2.82 0.03 0.00 0.56 0.00 0.00 36.38 34.01 3a3n s VAL 8 CO 0.02 -0.09 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.95 3a3n s ILE 9 N -2.78 1.81 -0.26 -0.62 1.09 0.32 -1.31 121.20 119.45 3a3n s ILE 9 Ca 0.34 -1.00 -0.13 0.00 -1.10 0.00 0.00 60.65 58.76 3a3n s ILE 9 Cb 0.07 -1.78 -0.04 0.00 -1.06 0.00 0.00 42.46 39.64 3a3n s ILE 9 CO 0.17 0.30 0.27 -0.69 -0.10 0.00 0.00 174.94 174.89 3a3n s VAL 10 N 1.35 5.26 0.04 2.92 1.01 0.19 -1.38 120.40 129.79 3a3n s VAL 10 Ca 0.01 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 3a3n s VAL 10 Cb -0.15 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3a3n s VAL 10 CO -0.10 0.23 1.02 -0.44 0.00 0.00 0.00 175.10 175.82 3a3n s SER 11 N 1.55 7.34 0.13 3.32 0.01 0.44 -0.35 113.70 126.13 3a3n s SER 11 Ca 0.11 1.78 0.06 0.00 1.31 0.00 0.00 55.95 59.21 3a3n s SER 11 Cb -0.15 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 3a3n s SER 11 CO 0.09 -0.26 -0.15 0.68 0.41 0.00 0.00 173.24 174.02 3a3n s VAL 12 N 0.73 1.42 -0.55 3.43 -7.23 -0.42 -0.20 120.40 117.59 3a3n s VAL 12 Ca 0.52 -1.75 -0.19 0.00 -1.81 0.00 0.00 61.98 58.75 3a3n s VAL 12 Cb -0.24 -1.59 0.08 0.00 0.56 0.00 0.00 36.38 35.19 3a3n s VAL 12 CO 0.29 -0.39 0.69 -0.62 -0.31 0.00 0.00 175.10 174.76 3a3n s ASP 13 N -2.48 6.21 0.44 4.85 -1.08 0.18 -4.80 116.67 119.99 3a3n s ASP 13 Ca 0.10 -1.11 0.29 0.00 -0.52 0.00 0.00 52.55 51.32 3a3n s ASP 13 Cb -0.05 -2.31 1.40 0.00 -1.46 0.00 0.00 42.92 40.50 3a3n s ASP 13 CO 0.04 -1.03 1.65 0.11 0.52 0.00 0.00 175.17 176.45 3a3n h LYS 14 N 9.12 0.12 -0.94 4.34 1.57 -1.90 0.22 116.57 129.10 3a3n h LYS 14 Ca -0.28 -0.01 -0.54 0.00 -1.87 0.00 0.00 60.65 57.95 3a3n h LYS 14 Cb 1.09 -0.03 -0.29 0.00 0.08 0.00 0.00 32.23 33.08 3a3n h LYS 14 CO 1.04 0.08 0.63 0.00 -0.57 0.00 0.00 179.45 180.62 3a3n n ALA 15 N -2.54 5.70 -0.00 3.86 0.00 -1.26 -3.87 120.51 122.40 3a3n n ALA 15 Ca 0.35 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.69 3a3n n ALA 15 Cb 1.37 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3a3n n ALA 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a3n n LYS 16 N -1.07 3.93 -3.98 0.00 5.02 0.68 -5.04 118.16 117.70 3a3n n LYS 16 Ca 0.58 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.51 3a3n n LYS 16 Cb 1.32 -0.33 -0.07 0.00 -0.02 0.00 0.00 35.03 35.93 3a3n n LYS 16 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3a3n s PHE 17 N 0.00 3.44 -0.28 2.13 5.36 -0.63 -3.65 117.98 124.35 3a3n s PHE 17 Ca 0.00 0.37 0.02 0.00 -0.96 0.00 0.00 56.93 56.37 3a3n s PHE 17 Cb 0.00 -1.96 0.08 0.00 -0.34 0.00 0.00 43.02 40.80 3a3n s PHE 17 CO 0.00 0.55 -0.02 1.21 -1.46 0.00 0.00 175.22 175.50 3a3n s ASN 18 N -0.63 4.29 0.52 6.13 3.04 -1.26 -4.89 114.94 122.13 3a3n s ASN 18 Ca 0.12 -1.57 0.24 0.00 0.04 0.00 0.00 52.86 51.69 3a3n s ASN 18 Cb -0.12 -1.37 1.36 0.00 -1.54 0.00 0.00 41.25 39.58 3a3n s ASN 18 CO 0.02 -0.29 1.99 1.55 -3.04 0.00 0.00 177.10 177.33 3a3n h PRO 19 N 7.82 0.05 0.00 0.43 0.13 -1.98 0.17 132.00 138.62 3a3n h PRO 19 Ca -0.14 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 3a3n h PRO 19 Cb 1.04 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3a3n h PRO 19 CO 0.46 0.03 -0.11 0.45 -0.23 0.00 0.00 178.00 178.60 3a3n h HIS 20 N 0.05 0.00 -0.02 1.56 3.86 -2.02 -3.19 115.15 115.38 3a3n h HIS 20 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3a3n h HIS 20 Cb 0.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.46 3a3n h HIS 20 CO -0.00 0.11 0.00 0.39 0.86 0.00 0.00 177.93 179.29 3a3n n GLU 21 N -3.32 1.58 0.26 2.45 -0.58 0.61 -3.60 120.64 118.04 3a3n n GLU 21 Ca -0.00 -0.85 0.15 0.00 -0.42 0.00 0.00 57.16 56.04 3a3n n GLU 21 Cb 0.32 -1.47 0.54 0.00 -0.57 0.00 0.00 31.44 30.25 3a3n n GLU 21 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 3a3n h VAL 22 N 2.04 0.08 -0.95 2.62 -1.51 -1.66 -1.86 116.25 115.00 3a3n h VAL 22 Ca 0.00 -0.72 0.18 0.00 -1.23 0.00 0.00 66.70 64.93 3a3n h VAL 22 Cb 0.43 1.66 -0.08 0.00 -2.13 0.00 0.00 31.29 31.17 3a3n h VAL 22 CO 0.00 0.03 0.60 0.25 -1.23 0.00 0.00 177.57 177.23 3a3n h LEU 23 N 0.00 0.66 -1.38 4.19 6.46 -1.58 0.99 115.31 124.65 3a3n h LEU 23 Ca -0.00 0.06 0.40 0.00 -0.12 0.00 0.00 57.88 58.22 3a3n h LEU 23 Cb 0.66 -0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 40.40 3a3n h LEU 23 CO 0.00 0.28 0.80 1.23 -0.62 0.00 0.00 178.44 180.14 3a3n h GLY 24 N 0.67 1.33 -1.38 3.75 0.00 -1.59 0.48 103.07 106.32 3a3n h GLY 24 Ca 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3a3n h GLY 24 CO -0.27 -0.37 0.00 0.29 0.00 0.00 0.00 176.54 176.20 3a3n n ILE 25 N -4.71 1.65 -0.26 2.60 -5.35 -0.79 -4.93 119.36 107.58 3a3n n ILE 25 Ca 0.35 -1.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.37 3a3n n ILE 25 Cb 1.32 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 3a3n n ILE 25 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a3n n GLY 26 N -0.05 0.78 3.94 3.28 0.00 0.16 -4.67 105.19 108.63 3a3n n GLY 26 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3a3n n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a3n s GLY 27 N -1.71 1.57 0.07 -0.02 0.00 0.27 -4.44 107.32 103.06 3a3n s GLY 27 Ca 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 44.72 43.69 3a3n s GLY 27 CO 0.00 -0.77 0.12 -2.38 0.00 0.00 0.00 173.10 170.07 3a3n s HIS 28 N -2.65 0.24 0.13 1.90 -3.43 -0.32 -2.83 115.29 108.33 3a3n s HIS 28 Ca 0.49 -0.66 -0.26 0.00 -0.80 0.00 0.00 55.06 53.83 3a3n s HIS 28 Cb -0.10 -0.15 -0.07 0.00 -1.43 0.00 0.00 32.58 30.83 3a3n s HIS 28 CO 0.40 -0.47 0.81 0.42 -2.00 0.00 0.00 174.74 173.90 3a3n s ILE 29 N -3.60 4.47 -0.21 -5.38 -1.09 -1.26 -0.99 121.20 113.14 3a3n s ILE 29 Ca 0.03 1.77 -0.07 0.00 -2.23 0.00 0.00 60.65 60.16 3a3n s ILE 29 Cb 0.04 -4.18 -0.10 0.00 -1.58 0.00 0.00 42.46 36.64 3a3n s ILE 29 CO -0.09 0.44 -0.24 0.52 -1.23 0.00 0.00 174.94 174.34 3a3n n VAL 30 N 2.12 1.14 -3.64 2.92 0.31 0.17 -4.88 118.33 116.47 3a3n n VAL 30 Ca -0.03 -0.34 -0.07 0.00 -0.01 0.00 0.00 64.34 63.89 3a3n n VAL 30 Cb 0.49 -1.59 -0.07 0.00 -0.91 0.00 0.00 33.84 31.76 3a3n n VAL 30 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3a3n s TYR 31 N -2.39 -1.07 -0.27 3.52 5.04 -1.03 -5.00 117.35 116.16 3a3n s TYR 31 Ca -0.28 2.12 -0.10 0.00 -2.44 0.00 0.00 57.07 56.37 3a3n s TYR 31 Cb 0.10 0.64 -0.05 0.00 0.35 0.00 0.00 41.96 43.00 3a3n s TYR 31 CO 0.40 -0.53 0.16 -0.65 -1.34 0.00 0.00 175.55 173.59 3a3n s GLN 32 N 1.68 3.93 0.46 4.97 -0.21 -1.26 -0.24 119.66 128.99 3a3n s GLN 32 Ca -0.10 -0.33 -0.23 0.00 0.02 0.00 0.00 55.36 54.72 3a3n s GLN 32 Cb -0.05 -3.58 -0.07 0.00 1.00 0.00 0.00 33.01 30.30 3a3n s GLN 32 CO -0.20 -0.13 1.15 -0.06 -2.12 0.00 0.00 175.29 173.94 3a3n s PHE 33 N 1.58 2.91 -0.06 0.91 0.40 -0.86 -4.94 117.98 117.91 3a3n s PHE 33 Ca 0.07 1.55 0.11 0.00 -0.60 0.00 0.00 56.93 58.06 3a3n s PHE 33 Cb -0.15 -3.35 -0.23 0.00 0.51 0.00 0.00 43.02 39.79 3a3n s PHE 33 CO 0.09 -1.41 0.59 1.63 0.70 0.00 0.00 175.22 176.81 3a3n n LYS 34 N -0.47 0.65 -0.00 0.44 5.02 -1.26 -4.50 118.16 118.03 3a3n n LYS 34 Ca 0.07 0.27 0.09 0.00 -2.02 0.00 0.00 58.31 56.72 3a3n n LYS 34 Cb 0.48 -1.76 -0.11 0.00 -0.02 0.00 0.00 35.03 33.62 3a3n n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3a3n n LEU 35 N -3.06 0.83 -4.01 -0.35 4.77 -1.26 -4.90 117.00 109.02 3a3n n LEU 35 Ca -0.19 -0.47 -0.14 0.00 -0.03 0.00 0.00 56.01 55.18 3a3n n LEU 35 Cb 1.06 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 42.02 3a3n n LEU 35 CO 0.45 0.21 -0.40 0.27 -1.33 0.00 0.00 177.39 176.58 3a3n s ILE 36 N -2.80 0.48 -1.30 -0.08 -4.36 -1.26 -5.08 121.20 106.79 3a3n s ILE 36 Ca 0.06 -0.69 -0.16 0.00 -0.26 0.00 0.00 60.65 59.60 3a3n s ILE 36 Cb 0.14 -0.49 0.09 0.00 1.25 0.00 0.00 42.46 43.46 3a3n s ILE 36 CO 0.77 -0.16 1.75 -0.81 0.24 0.00 0.00 174.94 176.73 3a3n n PRO 37 N 2.14 3.21 -3.78 0.37 -0.04 -1.26 -4.46 135.00 131.19 3a3n n PRO 37 Ca -0.18 -3.33 -0.11 0.00 -0.04 0.00 0.00 63.50 59.84 3a3n n PRO 37 Cb 0.56 -3.33 -0.07 0.00 -0.04 0.00 0.00 33.50 30.62 3a3n n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a3n s ALA 38 N 3.24 -0.56 -0.06 0.55 0.00 -1.26 -1.30 121.76 122.39 3a3n s ALA 38 Ca 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 3a3n s ALA 38 Cb 0.04 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.61 3a3n s ALA 38 CO 0.03 -0.46 0.12 0.54 0.00 0.00 0.00 175.76 175.99 3a3n s VAL 39 N -3.06 -0.05 -0.16 0.00 0.11 0.52 -2.03 120.40 115.74 3a3n s VAL 39 Ca -0.01 0.18 -0.29 0.00 -2.93 0.00 0.00 61.98 58.92 3a3n s VAL 39 Cb 0.01 -0.21 -0.00 0.00 -1.53 0.00 0.00 36.38 34.65 3a3n s VAL 39 CO -0.07 0.07 1.05 -0.69 -3.33 0.00 0.00 175.10 172.14 3a3n s VAL 40 N 1.12 4.68 0.04 2.04 1.01 0.67 -0.64 120.40 129.31 3a3n s VAL 40 Ca -0.09 1.98 0.05 0.00 0.00 0.00 0.00 61.98 63.92 3a3n s VAL 40 Cb -0.11 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 3a3n s VAL 40 CO -0.05 -0.08 -0.14 0.68 0.00 0.00 0.00 175.10 175.51 3a3n s VAL 41 N 2.59 1.08 -0.16 2.92 -7.23 -0.43 0.41 120.40 119.58 3a3n s VAL 41 Ca 0.47 -0.97 -0.07 0.00 -1.81 0.00 0.00 61.98 59.60 3a3n s VAL 41 Cb -0.18 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 3a3n s VAL 41 CO 0.13 0.01 0.10 -1.81 -0.31 0.00 0.00 175.10 173.22 3a3n s ASP 42 N -1.10 6.00 -0.08 4.85 1.01 -0.16 -1.36 116.67 125.83 3a3n s ASP 42 Ca 0.01 0.25 -0.12 0.00 0.71 0.00 0.00 52.55 53.41 3a3n s ASP 42 Cb -0.08 -1.98 0.03 0.00 1.01 0.00 0.00 42.92 41.90 3a3n s ASP 42 CO 0.01 0.27 0.30 0.54 0.21 0.00 0.00 175.17 176.50 3a3n s VAL 43 N -0.20 0.02 0.24 -1.27 0.11 -0.53 -1.18 120.40 117.59 3a3n s VAL 43 Ca 0.09 -0.19 -0.28 0.00 -2.93 0.00 0.00 61.98 58.68 3a3n s VAL 43 Cb -0.12 -0.49 -0.16 0.00 -1.53 0.00 0.00 36.38 34.08 3a3n s VAL 43 CO 0.01 -0.10 0.65 -2.65 -3.33 0.00 0.00 175.10 169.67 3a3n n PRO 44 N 2.31 0.40 -0.16 1.54 -0.02 -1.26 -0.97 135.00 136.83 3a3n n PRO 44 Ca -0.16 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.59 3a3n n PRO 44 Cb 0.57 -1.25 0.47 0.00 -0.02 0.00 0.00 33.50 33.27 3a3n n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a3n h ALA 45 N 1.25 2.00 -0.01 3.55 0.00 -1.91 -0.93 119.26 123.21 3a3n h ALA 45 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3a3n h ALA 45 Cb 1.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3a3n h ALA 45 CO 0.58 -0.19 -0.00 0.27 0.00 0.00 0.00 179.25 179.91 3a3n n ASN 46 N -4.49 1.26 -0.18 0.00 6.94 -1.26 -3.69 115.26 113.84 3a3n n ASN 46 Ca 0.13 -1.41 0.13 0.00 -0.02 0.00 0.00 54.58 53.41 3a3n n ASN 46 Cb 0.45 0.00 0.44 0.00 -2.36 0.00 0.00 39.78 38.31 3a3n n ASN 46 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a3n n ALA 47 N -0.02 3.00 -0.32 -2.53 0.00 -0.35 -4.34 120.51 115.94 3a3n n ALA 47 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3a3n n ALA 47 Cb 0.32 -1.20 0.14 0.00 0.00 0.00 0.00 19.45 18.70 3a3n n ALA 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3a3n h VAL 48 N 0.90 1.09 -0.63 0.00 2.07 -1.66 0.41 116.25 118.43 3a3n h VAL 48 Ca 0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3a3n h VAL 48 Cb 0.46 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 3a3n h VAL 48 CO 0.00 0.19 0.30 1.23 0.02 0.00 0.00 177.57 179.32 3a3n h GLY 49 N 1.05 0.97 0.85 2.17 0.00 -1.88 0.44 103.07 106.68 3a3n h GLY 49 Ca 0.38 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3a3n h GLY 49 CO -0.15 0.46 -0.03 0.50 0.00 0.00 0.00 176.54 177.31 3a3n h LYS 50 N 0.87 -0.09 -0.80 4.80 1.57 -1.50 -3.06 116.57 118.35 3a3n h LYS 50 Ca 0.22 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.18 3a3n h LYS 50 Cb 0.12 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.34 3a3n h LYS 50 CO -0.03 0.07 0.28 1.25 -0.57 0.00 0.00 179.45 180.46 3a3n h LEU 51 N -0.24 0.19 -2.17 2.94 6.46 0.00 0.01 115.31 122.50 3a3n h LEU 51 Ca -0.01 0.14 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 3a3n h LEU 51 Cb 0.21 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 3a3n h LEU 51 CO 0.02 0.02 0.27 0.11 -0.62 0.00 0.00 178.44 178.23 3a3n h LYS 52 N 0.36 0.00 0.00 1.25 1.57 -0.81 -2.49 116.57 116.46 3a3n h LYS 52 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3a3n h LYS 52 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3a3n h LYS 52 CO -0.49 0.00 -0.88 1.17 -0.57 0.00 0.00 179.45 178.68 3a3n n LYS 53 N -3.65 1.47 -1.41 3.15 4.81 -0.06 -4.93 118.16 117.53 3a3n n LYS 53 Ca 0.03 -0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 57.03 3a3n n LYS 53 Cb 0.40 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.16 3a3n n LYS 53 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3a3n n MET 54 N -1.46 0.40 -2.28 1.64 2.81 -0.90 -4.91 117.12 112.42 3a3n n MET 54 Ca 0.02 0.14 -0.39 0.00 -1.81 0.00 0.00 57.70 55.67 3a3n n MET 54 Cb 0.28 -1.35 -0.02 0.00 -0.71 0.00 0.00 33.22 31.41 3a3n n MET 54 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3a3n s PRO 55 N -1.39 4.24 0.00 0.03 0.04 -1.26 -2.91 135.00 133.75 3a3n s PRO 55 Ca 0.62 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3a3n s PRO 55 Cb -0.63 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3a3n s PRO 55 CO 0.59 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.86 3a3n n GLY 56 N 0.78 2.72 3.63 0.56 0.00 -1.24 -4.19 105.19 107.44 3a3n n GLY 56 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3a3n n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a3n s VAL 57 N -2.14 3.80 -0.21 1.61 1.01 -1.14 0.50 120.40 123.82 3a3n s VAL 57 Ca 0.00 0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.90 3a3n s VAL 57 Cb 0.00 -3.84 -0.20 0.00 0.00 0.00 0.00 36.38 32.34 3a3n s VAL 57 CO 0.00 -0.37 -0.03 -0.62 0.00 0.00 0.00 175.10 174.08 3a3n n GLU 58 N 7.65 0.68 -3.74 2.72 -0.58 0.72 -4.92 120.64 123.17 3a3n n GLU 58 Ca 0.18 0.16 -0.13 0.00 -0.42 0.00 0.00 57.16 56.95 3a3n n GLU 58 Cb 0.46 -1.57 -0.10 0.00 -0.57 0.00 0.00 31.44 29.66 3a3n n GLU 58 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3a3n s LYS 59 N -2.53 0.45 -0.23 3.49 2.20 -0.99 -4.97 119.74 117.17 3a3n s LYS 59 Ca -0.28 0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 55.84 3a3n s LYS 59 Cb 0.08 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.59 3a3n s LYS 59 CO 0.68 -0.06 0.00 0.08 -0.36 0.00 0.00 175.35 175.69 3a3n s VAL 60 N 0.26 3.78 0.18 4.02 1.01 -1.26 -0.42 120.40 127.96 3a3n s VAL 60 Ca -0.00 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.72 3a3n s VAL 60 Cb -0.03 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3a3n s VAL 60 CO -0.00 0.40 -0.19 -1.61 0.00 0.00 0.00 175.10 173.69 3a3n s GLU 61 N 1.43 1.70 0.23 2.72 2.02 -0.48 -4.97 118.70 121.35 3a3n s GLU 61 Ca 0.05 -1.40 0.05 0.00 0.02 0.00 0.00 54.97 53.69 3a3n s GLU 61 Cb -0.15 -1.97 -0.03 0.00 0.10 0.00 0.00 34.13 32.08 3a3n s GLU 61 CO -0.00 0.42 0.34 -0.06 0.02 0.00 0.00 175.26 175.99 3a3n s PHE 62 N -1.57 3.44 0.32 1.61 0.40 -1.26 -0.52 117.98 120.40 3a3n s PHE 62 Ca 0.21 -0.00 -0.17 0.00 -0.60 0.00 0.00 56.93 56.37 3a3n s PHE 62 Cb -0.09 -1.58 -0.09 0.00 0.51 0.00 0.00 43.02 41.77 3a3n s PHE 62 CO 0.11 0.45 0.77 0.34 0.70 0.00 0.00 175.22 177.59 3a3n s ASP 63 N -3.86 6.85 0.17 1.36 -1.08 -1.20 -4.79 116.67 114.10 3a3n s ASP 63 Ca 0.34 1.37 0.04 0.00 -0.52 0.00 0.00 52.55 53.77 3a3n s ASP 63 Cb -0.09 -2.41 -0.05 0.00 -1.46 0.00 0.00 42.92 38.91 3a3n s ASP 63 CO 0.29 -0.19 -0.06 -1.00 0.52 0.00 0.00 175.17 174.73 3a3n s HIS 64 N -1.94 1.30 -0.01 -5.34 3.76 -1.26 -5.07 115.29 106.72 3a3n s HIS 64 Ca 0.54 -0.85 -0.01 0.00 -0.15 0.00 0.00 55.06 54.58 3a3n s HIS 64 Cb -0.11 -0.70 -0.04 0.00 1.11 0.00 0.00 32.58 32.84 3a3n s HIS 64 CO 0.17 -0.02 0.08 -0.65 -0.85 0.00 0.00 174.74 173.48 3a3n s GLN 65 N -3.81 3.08 -0.06 1.40 -1.52 -1.26 -5.10 119.66 112.39 3a3n s GLN 65 Ca 0.20 -0.47 -0.01 0.00 -1.95 0.00 0.00 55.36 53.14 3a3n s GLN 65 Cb 0.04 -2.87 -0.03 0.00 -0.22 0.00 0.00 33.01 29.92 3a3n s GLN 65 CO 0.03 0.66 0.01 0.00 -0.25 0.00 0.00 175.29 175.73 3a3n s ALA 66 N -1.18 3.31 -2.37 6.09 0.00 -1.26 -5.35 121.76 121.00 3a3n s ALA 66 Ca 0.22 -0.84 0.29 0.00 0.00 0.00 0.00 51.96 51.63 3a3n s ALA 66 Cb -0.12 -1.46 1.27 0.00 0.00 0.00 0.00 23.12 22.80 3a3n s ALA 66 CO 0.13 0.61 1.87 1.33 0.00 0.00 0.00 175.76 179.70