#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6n n SER 29 N 0.00 -4.47 -4.38 6.15 7.64 -1.26 -5.03 113.62 112.27 3a6n n SER 29 Ca 0.00 0.86 -0.33 0.00 1.01 0.00 0.00 58.87 60.41 3a6n n SER 29 Cb 0.00 -3.64 -0.14 0.00 -1.01 0.00 0.00 64.21 59.42 3a6n n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a6n s ARG 30 N -0.94 3.41 -0.18 1.43 1.70 -1.26 -5.11 118.95 118.00 3a6n s ARG 30 Ca -0.05 -0.67 -0.03 0.00 -0.47 0.00 0.00 55.73 54.52 3a6n s ARG 30 Cb 0.00 -2.66 -0.01 0.00 -0.57 0.00 0.00 34.95 31.71 3a6n s ARG 30 CO 0.48 0.21 -0.07 -1.59 -1.08 0.00 0.00 175.30 173.25 3a6n s LYS 31 N 0.37 3.41 0.67 3.89 -2.85 -1.26 -5.11 119.74 118.86 3a6n s LYS 31 Ca -0.10 -0.64 -0.13 0.00 -1.00 0.00 0.00 55.97 54.10 3a6n s LYS 31 Cb -0.16 -2.87 -0.00 0.00 -2.06 0.00 0.00 37.83 32.75 3a6n s LYS 31 CO 0.05 -0.01 1.07 -1.21 0.10 0.00 0.00 175.35 175.35 3a6n s GLU 32 N 0.98 2.92 0.17 1.78 2.02 -1.26 -5.08 118.70 120.23 3a6n s GLU 32 Ca -0.01 1.16 -0.20 0.00 0.02 0.00 0.00 54.97 55.94 3a6n s GLU 32 Cb -0.15 -1.98 0.05 0.00 0.10 0.00 0.00 34.13 32.15 3a6n s GLU 32 CO -0.00 -1.12 0.54 0.45 0.02 0.00 0.00 175.26 175.15 3a6n s SER 33 N -3.15 -0.40 0.00 -0.19 0.15 -1.26 -5.03 113.70 103.81 3a6n s SER 33 Ca 0.62 -0.22 0.16 0.00 0.70 0.00 0.00 55.95 57.22 3a6n s SER 33 Cb -0.16 0.57 0.47 0.00 -1.71 0.00 0.00 66.02 65.19 3a6n s SER 33 CO 0.46 -0.98 1.39 -1.22 1.20 0.00 0.00 173.24 174.09 3a6n n TYR 34 N -0.34 0.60 -0.16 3.44 4.01 -1.26 -4.64 117.16 118.81 3a6n n TYR 34 Ca -0.14 -0.30 -0.04 0.00 -0.16 0.00 0.00 57.90 57.26 3a6n n TYR 34 Cb 0.64 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.69 3a6n n TYR 34 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3a6n h SER 35 N 2.92 -0.72 -0.04 7.72 0.02 -1.96 -0.03 113.55 121.46 3a6n h SER 35 Ca 0.00 0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 3a6n h SER 35 Cb 0.66 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3a6n h SER 35 CO 0.00 -0.24 -0.09 0.16 -1.14 0.00 0.00 176.83 175.53 3a6n h ILE 36 N -0.09 1.17 -0.07 3.27 3.07 -2.00 -0.11 117.51 122.75 3a6n h ILE 36 Ca 0.24 -0.73 -0.14 0.00 1.55 0.00 0.00 64.86 65.77 3a6n h ILE 36 Cb 0.46 1.13 0.01 0.00 -0.27 0.00 0.00 36.82 38.15 3a6n h ILE 36 CO -0.56 0.23 -0.51 1.88 -1.05 0.00 0.00 178.15 178.14 3a6n h TYR 37 N 0.28 0.66 -0.25 0.16 0.05 -1.77 -1.70 116.97 114.41 3a6n h TYR 37 Ca 0.06 -0.31 0.04 0.00 0.05 0.00 0.00 58.73 58.57 3a6n h TYR 37 Cb 0.33 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.94 3a6n h TYR 37 CO 0.01 1.09 0.02 0.28 -1.05 0.00 0.00 178.16 178.51 3a6n h VAL 38 N 0.04 0.85 -0.68 -2.88 2.07 -0.67 -2.21 116.25 112.76 3a6n h VAL 38 Ca -0.04 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.51 3a6n h VAL 38 Cb 1.18 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 3a6n h VAL 38 CO 0.11 0.02 0.36 0.22 0.02 0.00 0.00 177.57 178.30 3a6n h TYR 39 N 0.11 0.66 -0.36 1.57 3.20 -0.99 -0.25 116.97 120.91 3a6n h TYR 39 Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3a6n h TYR 39 Cb 0.14 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3a6n h TYR 39 CO -0.18 0.29 0.24 0.87 -1.64 0.00 0.00 178.16 177.74 3a6n h LYS 40 N 0.65 0.48 -0.50 1.82 1.57 -0.95 -0.92 116.57 118.72 3a6n h LYS 40 Ca 0.32 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 3a6n h LYS 40 Cb 0.26 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3a6n h LYS 40 CO -0.22 0.32 0.11 0.28 -0.57 0.00 0.00 179.45 179.37 3a6n h VAL 41 N 0.49 1.22 -0.28 0.50 2.07 -0.88 -1.74 116.25 117.62 3a6n h VAL 41 Ca 0.13 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3a6n h VAL 41 Cb -0.05 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3a6n h VAL 41 CO -0.03 0.29 0.15 0.25 0.02 0.00 0.00 177.57 178.26 3a6n h LEU 42 N 0.73 0.34 -1.94 2.57 5.85 -0.35 -1.85 115.31 120.68 3a6n h LEU 42 Ca 0.16 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3a6n h LEU 42 Cb 0.29 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3a6n h LEU 42 CO -0.00 0.33 -0.11 0.11 -0.34 0.00 0.00 178.44 178.43 3a6n h LYS 43 N 0.34 0.00 -0.15 1.25 1.79 -0.64 0.32 116.57 119.48 3a6n h LYS 43 Ca 0.10 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.39 3a6n h LYS 43 Cb 0.06 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.71 3a6n h LYS 43 CO -0.02 0.11 -0.60 1.96 -1.08 0.00 0.00 179.45 179.82 3a6n h GLN 44 N 0.00 0.67 0.01 3.15 4.20 -0.61 -2.77 115.11 119.75 3a6n h GLN 44 Ca -0.00 -0.52 -0.26 0.00 0.06 0.00 0.00 58.65 57.93 3a6n h GLN 44 Cb 0.22 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 3a6n h GLN 44 CO 0.01 1.14 -1.42 -0.39 -0.67 0.00 0.00 178.83 177.51 3a6n h VAL 45 N 0.36 1.21 -1.83 -0.54 -1.51 -0.83 -3.42 116.25 109.69 3a6n h VAL 45 Ca -0.03 -3.00 -0.46 0.00 -1.23 0.00 0.00 66.70 61.98 3a6n h VAL 45 Cb 1.23 2.61 -0.31 0.00 -2.13 0.00 0.00 31.29 32.68 3a6n h VAL 45 CO 0.13 0.70 -0.86 1.41 -1.23 0.00 0.00 177.57 177.72 3a6n n HIS 46 N -3.19 -1.69 -0.36 5.19 8.25 0.11 -5.00 115.22 118.54 3a6n n HIS 46 Ca -0.10 -2.79 0.28 0.00 -0.26 0.00 0.00 57.72 54.85 3a6n n HIS 46 Cb 1.01 0.54 0.58 0.00 1.12 0.00 0.00 29.99 33.23 3a6n n HIS 46 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3a6n h PRO 47 N 5.11 0.25 0.00 -0.41 0.11 -1.64 0.22 132.00 135.64 3a6n h PRO 47 Ca 0.16 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 3a6n h PRO 47 Cb 0.96 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3a6n h PRO 47 CO 0.30 0.17 -0.33 0.38 -0.21 0.00 0.00 178.00 178.30 3a6n h ASP 48 N 0.26 0.00 -3.19 -2.05 2.03 -1.91 -3.47 116.42 108.08 3a6n h ASP 48 Ca 0.65 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 56.37 3a6n h ASP 48 Cb 1.89 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 40.35 3a6n h ASP 48 CO -0.28 0.33 -0.16 -0.89 -1.03 0.00 0.00 179.24 177.21 3a6n s THR 49 N -3.05 4.96 0.40 1.15 2.01 0.06 -5.10 115.64 116.07 3a6n s THR 49 Ca 0.05 0.71 0.02 0.00 0.31 0.00 0.00 61.69 62.77 3a6n s THR 49 Cb 0.07 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.89 3a6n s THR 49 CO 0.72 0.32 0.13 0.61 -0.69 0.00 0.00 174.62 175.71 3a6n n GLY 50 N 1.03 3.33 2.96 4.40 0.00 -1.26 -4.79 105.19 110.86 3a6n n GLY 50 Ca -0.08 -2.31 -0.13 0.00 0.00 0.00 0.00 46.02 43.51 3a6n n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a6n s ILE 51 N -2.27 -0.01 0.58 -0.61 2.07 -1.26 -5.14 121.20 114.55 3a6n s ILE 51 Ca 0.10 0.05 -0.16 0.00 -1.41 0.00 0.00 60.65 59.23 3a6n s ILE 51 Cb -0.01 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.36 3a6n s ILE 51 CO 0.06 0.02 1.04 -0.94 -1.91 0.00 0.00 174.94 173.22 3a6n s SER 52 N 0.35 5.95 0.46 4.50 1.04 -1.26 -4.85 113.70 119.89 3a6n s SER 52 Ca -0.02 1.77 0.16 0.00 0.48 0.00 0.00 55.95 58.33 3a6n s SER 52 Cb -0.04 -2.53 1.05 0.00 0.10 0.00 0.00 66.02 64.61 3a6n s SER 52 CO -0.01 -1.05 2.00 0.77 0.98 0.00 0.00 173.24 175.93 3a6n h SER 53 N 0.53 0.00 -0.19 7.02 4.64 -2.01 0.64 113.55 124.18 3a6n h SER 53 Ca -0.47 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 3a6n h SER 53 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3a6n h SER 53 CO 0.58 0.17 -0.18 0.50 -0.87 0.00 0.00 176.83 177.04 3a6n h LYS 54 N 0.00 0.62 -0.11 4.77 3.64 -1.99 0.31 116.57 123.82 3a6n h LYS 54 Ca -0.00 -0.22 -0.17 0.00 -1.27 0.00 0.00 60.65 58.99 3a6n h LYS 54 Cb 0.32 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3a6n h LYS 54 CO 0.02 0.77 -0.67 0.00 -2.27 0.00 0.00 179.45 177.30 3a6n h ALA 55 N 1.25 0.64 -0.44 5.00 0.00 -1.44 -2.39 119.26 121.87 3a6n h ALA 55 Ca 0.09 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3a6n h ALA 55 Cb 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3a6n h ALA 55 CO 0.04 0.73 -0.13 1.98 0.00 0.00 0.00 179.25 181.88 3a6n h MET 56 N 0.32 0.81 -0.40 0.00 1.85 -0.49 -1.65 114.93 115.37 3a6n h MET 56 Ca -0.02 -0.28 0.06 0.00 -0.61 0.00 0.00 59.70 58.85 3a6n h MET 56 Cb 1.23 -0.06 -0.06 0.00 0.43 0.00 0.00 31.60 33.14 3a6n h MET 56 CO 0.12 0.90 0.07 0.78 -0.40 0.00 0.00 176.91 178.37 3a6n h GLY 57 N 0.97 0.46 0.99 1.39 0.00 -0.08 0.50 103.07 107.31 3a6n h GLY 57 Ca 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.44 3a6n h GLY 57 CO 0.04 -0.04 0.43 -2.22 0.00 0.00 0.00 176.54 174.75 3a6n h ILE 58 N 0.19 1.16 -0.74 2.60 2.04 -1.05 -1.94 117.51 119.77 3a6n h ILE 58 Ca 0.19 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3a6n h ILE 58 Cb 0.24 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3a6n h ILE 58 CO -0.26 0.16 0.45 0.24 0.00 0.00 0.00 178.15 178.74 3a6n h MET 59 N 0.88 1.00 -0.32 2.37 2.86 -0.32 -0.58 114.93 120.81 3a6n h MET 59 Ca 0.24 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.69 3a6n h MET 59 Cb -0.09 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.35 3a6n h MET 59 CO -0.06 0.69 -0.26 -0.91 1.06 0.00 0.00 176.91 177.43 3a6n h ASN 60 N 1.02 0.66 -0.51 1.22 4.21 -0.44 -1.17 115.58 120.57 3a6n h ASN 60 Ca 0.27 -0.24 -0.09 0.00 1.21 0.00 0.00 56.30 57.45 3a6n h ASN 60 Cb -0.05 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 36.94 3a6n h ASN 60 CO -0.05 0.90 0.00 0.28 -1.29 0.00 0.00 177.43 177.27 3a6n h SER 61 N 0.56 0.91 -0.08 5.81 0.02 -0.62 -1.68 113.55 118.47 3a6n h SER 61 Ca 0.08 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3a6n h SER 61 Cb 0.74 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 3a6n h SER 61 CO 0.06 0.97 0.02 0.15 -1.14 0.00 0.00 176.83 176.88 3a6n h PHE 62 N 0.87 0.14 -0.74 3.45 3.57 -0.71 0.94 116.94 124.46 3a6n h PHE 62 Ca 0.16 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3a6n h PHE 62 Cb 0.51 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3a6n h PHE 62 CO 0.03 0.33 0.37 0.28 -2.23 0.00 0.00 178.31 177.10 3a6n h VAL 63 N -0.09 1.24 -0.24 1.41 2.07 -1.17 -0.20 116.25 119.26 3a6n h VAL 63 Ca 0.03 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 3a6n h VAL 63 Cb 0.27 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3a6n h VAL 63 CO 0.00 0.27 -0.26 0.78 0.02 0.00 0.00 177.57 178.38 3a6n h ASN 64 N 1.03 0.47 0.16 0.57 2.35 -1.19 -0.71 115.58 118.26 3a6n h ASN 64 Ca 0.26 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3a6n h ASN 64 Cb 0.09 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3a6n h ASN 64 CO -0.04 0.72 -0.08 -0.78 -1.65 0.00 0.00 177.43 175.61 3a6n h ASP 65 N 0.41 -0.18 -0.88 5.81 3.58 -0.24 -1.96 116.42 122.96 3a6n h ASP 65 Ca 0.06 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.18 3a6n h ASP 65 Cb 0.68 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 3a6n h ASP 65 CO 0.05 0.26 0.48 0.40 -2.88 0.00 0.00 179.24 177.55 3a6n h ILE 66 N -0.65 1.25 -0.09 2.25 1.08 -1.04 -0.35 117.51 119.96 3a6n h ILE 66 Ca -0.02 -0.62 0.02 0.00 -0.39 0.00 0.00 64.86 63.84 3a6n h ILE 66 Cb 0.48 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 3a6n h ILE 66 CO 0.04 0.28 -0.02 0.15 -0.69 0.00 0.00 178.15 177.91 3a6n h PHE 67 N 1.23 -0.04 -0.51 1.37 3.57 -1.12 0.01 116.94 121.45 3a6n h PHE 67 Ca 0.31 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 3a6n h PHE 67 Cb 0.02 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3a6n h PHE 67 CO 0.01 -0.03 0.23 1.49 -2.23 0.00 0.00 178.31 177.78 3a6n h GLU 68 N 0.01 0.74 -0.21 1.11 4.22 -0.85 0.54 114.58 120.13 3a6n h GLU 68 Ca 0.04 -0.12 0.01 0.00 0.08 0.00 0.00 59.36 59.38 3a6n h GLU 68 Cb 0.06 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3a6n h GLU 68 CO -0.09 0.63 0.10 0.00 -2.18 0.00 0.00 179.01 177.47 3a6n h ARG 69 N 0.67 0.20 0.35 1.92 3.08 -0.75 0.43 114.38 120.29 3a6n h ARG 69 Ca 0.17 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3a6n h ARG 69 Cb 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3a6n h ARG 69 CO -0.02 0.13 -0.17 0.82 -1.07 0.00 0.00 179.97 179.67 3a6n h ILE 70 N 0.21 0.67 -0.71 2.04 1.08 -0.82 -0.31 117.51 119.67 3a6n h ILE 70 Ca 0.09 -0.20 0.02 0.00 -0.39 0.00 0.00 64.86 64.37 3a6n h ILE 70 Cb 0.03 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 34.52 3a6n h ILE 70 CO -0.07 0.04 0.45 0.00 -0.69 0.00 0.00 178.15 177.89 3a6n h ALA 71 N 0.03 0.91 -0.18 1.87 0.00 -0.82 0.22 119.26 121.30 3a6n h ALA 71 Ca -0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3a6n h ALA 71 Cb 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3a6n h ALA 71 CO 0.08 0.26 0.00 0.78 0.00 0.00 0.00 179.25 180.38 3a6n h GLY 72 N 0.91 0.17 0.93 0.00 0.00 0.06 0.32 103.07 105.46 3a6n h GLY 72 Ca 0.27 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 3a6n h GLY 72 CO -0.08 -0.03 0.04 -2.09 0.00 0.00 0.00 176.54 174.38 3a6n h GLU 73 N 0.06 0.65 -0.43 4.80 4.57 -0.64 -2.20 114.58 121.40 3a6n h GLU 73 Ca 0.08 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3a6n h GLU 73 Cb 0.10 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3a6n h GLU 73 CO -0.14 0.72 0.28 0.00 -1.18 0.00 0.00 179.01 178.69 3a6n h ALA 74 N 0.90 1.85 -0.20 2.92 0.00 -0.03 0.12 119.26 124.82 3a6n h ALA 74 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3a6n h ALA 74 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3a6n h ALA 74 CO 0.01 0.10 -0.02 1.03 0.00 0.00 0.00 179.25 180.37 3a6n h SER 75 N 0.44 0.37 0.30 0.00 0.87 0.10 -1.24 113.55 114.40 3a6n h SER 75 Ca 0.17 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 3a6n h SER 75 Cb 0.15 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3a6n h SER 75 CO -0.04 0.62 -0.15 0.03 -0.53 0.00 0.00 176.83 176.76 3a6n h ARG 76 N 0.11 -0.39 -0.49 2.24 3.08 -0.75 -0.50 114.38 117.68 3a6n h ARG 76 Ca 0.05 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.23 3a6n h ARG 76 Cb 0.45 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.48 3a6n h ARG 76 CO 0.01 -0.20 -0.24 1.25 -1.07 0.00 0.00 179.97 179.73 3a6n h LEU 77 N -0.51 -0.83 -0.58 3.04 5.85 -0.80 0.44 115.31 121.93 3a6n h LEU 77 Ca -0.04 0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3a6n h LEU 77 Cb 0.38 0.44 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3a6n h LEU 77 CO 0.07 -0.26 0.29 0.00 -0.34 0.00 0.00 178.44 178.20 3a6n h ALA 78 N 1.15 0.75 0.01 1.25 0.00 -1.00 -2.77 119.26 118.65 3a6n h ALA 78 Ca 0.22 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3a6n h ALA 78 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3a6n h ALA 78 CO -0.57 -0.06 -0.00 1.25 0.00 0.00 0.00 179.25 179.87 3a6n h HIS 79 N 0.55 -0.01 0.00 0.00 -0.00 0.73 -1.18 115.15 115.23 3a6n h HIS 79 Ca 0.26 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 3a6n h HIS 79 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 3a6n h HIS 79 CO -0.10 0.22 0.34 1.88 -0.00 0.00 0.00 177.93 180.27 3a6n h TYR 80 N -0.24 0.00 -0.13 5.26 0.05 0.03 0.19 116.97 122.14 3a6n h TYR 80 Ca -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 3a6n h TYR 80 Cb 0.23 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.93 3a6n h TYR 80 CO 0.00 0.00 -0.33 0.09 -1.05 0.00 0.00 178.16 176.87 3a6n n ASN 81 N -2.56 2.02 -3.19 3.88 3.02 -1.00 -4.96 115.26 112.47 3a6n n ASN 81 Ca -0.01 -3.83 -0.17 0.00 -0.03 0.00 0.00 54.58 50.54 3a6n n ASN 81 Cb 0.38 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3a6n n ASN 81 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3a6n n LYS 82 N -1.13 -2.49 -3.87 3.52 4.76 0.06 -4.90 118.16 114.11 3a6n n LYS 82 Ca 0.24 0.21 -0.35 0.00 -2.87 0.00 0.00 58.31 55.54 3a6n n LYS 82 Cb 0.81 -4.79 -0.10 0.00 -1.84 0.00 0.00 35.03 29.11 3a6n n LYS 82 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3a6n s ARG 83 N -5.78 3.91 0.00 1.97 0.52 -0.48 -4.97 118.95 114.12 3a6n s ARG 83 Ca 0.29 -0.36 0.29 0.00 -0.52 0.00 0.00 55.73 55.43 3a6n s ARG 83 Cb -0.17 -3.32 1.30 0.00 0.52 0.00 0.00 34.95 33.29 3a6n s ARG 83 CO 0.36 0.11 1.90 -1.13 0.02 0.00 0.00 175.30 176.56 3a6n n SER 84 N 4.06 0.45 -4.12 0.23 3.41 -1.26 -4.29 113.62 112.10 3a6n n SER 84 Ca -0.16 -0.62 -0.22 0.00 -0.26 0.00 0.00 58.87 57.60 3a6n n SER 84 Cb 0.52 -0.08 -0.15 0.00 -0.26 0.00 0.00 64.21 64.24 3a6n n SER 84 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3a6n s THR 85 N -2.42 1.15 -0.42 6.66 -1.32 -1.26 -5.10 115.64 112.93 3a6n s THR 85 Ca 0.31 -0.66 -0.18 0.00 -1.21 0.00 0.00 61.69 59.95 3a6n s THR 85 Cb 0.20 -0.97 0.02 0.00 -1.51 0.00 0.00 72.50 70.25 3a6n s THR 85 CO 0.46 0.30 0.50 -0.63 -2.21 0.00 0.00 174.62 173.04 3a6n s ILE 86 N -0.39 5.01 0.48 5.08 1.01 -1.26 -4.94 121.20 126.19 3a6n s ILE 86 Ca 0.05 -0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.61 3a6n s ILE 86 Cb -0.06 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.37 3a6n s ILE 86 CO -0.00 -0.47 0.65 0.42 0.00 0.00 0.00 174.94 175.54 3a6n s THR 87 N 2.35 2.61 0.66 2.92 -4.23 -1.26 -4.94 115.64 113.75 3a6n s THR 87 Ca 0.16 -1.03 0.38 0.00 -1.18 0.00 0.00 61.69 60.02 3a6n s THR 87 Cb -0.16 -2.64 0.39 0.00 1.34 0.00 0.00 72.50 71.43 3a6n s THR 87 CO 0.15 0.00 2.18 0.77 -0.54 0.00 0.00 174.62 177.19 3a6n h SER 88 N 0.48 0.00 0.10 3.99 4.64 -1.99 0.64 113.55 121.40 3a6n h SER 88 Ca -0.36 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.80 3a6n h SER 88 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3a6n h SER 88 CO 0.44 0.00 -0.56 -0.09 -0.87 0.00 0.00 176.83 175.75 3a6n h ARG 89 N 0.00 0.48 -0.06 4.77 2.43 -1.99 -1.57 114.38 118.44 3a6n h ARG 89 Ca 0.01 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.85 3a6n h ARG 89 Cb 0.29 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3a6n h ARG 89 CO -0.00 0.91 -0.03 0.93 -1.51 0.00 0.00 179.97 180.27 3a6n h GLU 90 N 0.37 0.13 -0.86 0.20 3.07 -1.24 -2.35 114.58 113.89 3a6n h GLU 90 Ca 0.00 -0.06 0.13 0.00 -0.50 0.00 0.00 59.36 58.93 3a6n h GLU 90 Cb 1.10 -0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.94 3a6n h GLU 90 CO 0.10 0.52 0.55 0.82 -1.40 0.00 0.00 179.01 179.61 3a6n h ILE 91 N -0.27 0.88 -0.34 3.13 1.08 -1.44 -0.33 117.51 120.22 3a6n h ILE 91 Ca 0.01 -0.24 -0.10 0.00 -0.39 0.00 0.00 64.86 64.15 3a6n h ILE 91 Cb 0.48 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 3a6n h ILE 91 CO 0.01 0.13 -0.16 -0.61 -0.69 0.00 0.00 178.15 176.83 3a6n h GLN 92 N 0.70 0.71 -0.36 2.37 4.15 -1.12 -0.72 115.11 120.85 3a6n h GLN 92 Ca 0.42 -0.31 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 3a6n h GLN 92 Cb 0.62 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3a6n h GLN 92 CO -0.18 0.91 -0.27 1.15 -1.93 0.00 0.00 178.83 178.51 3a6n h THR 93 N 0.48 1.28 -0.44 2.39 2.02 -0.76 -1.65 112.91 116.23 3a6n h THR 93 Ca 0.08 -1.39 0.01 0.00 0.77 0.00 0.00 66.41 65.87 3a6n h THR 93 Cb 0.70 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3a6n h THR 93 CO 0.05 0.46 0.29 0.00 0.37 0.00 0.00 175.52 176.68 3a6n h ALA 94 N 1.07 0.55 -0.72 6.16 0.00 -0.96 0.23 119.26 125.59 3a6n h ALA 94 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3a6n h ALA 94 Cb 0.78 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3a6n h ALA 94 CO 0.06 0.00 0.35 0.28 0.00 0.00 0.00 179.25 179.95 3a6n h VAL 95 N 0.59 1.23 -0.23 0.00 2.07 -0.85 0.17 116.25 119.22 3a6n h VAL 95 Ca 0.16 -0.63 -0.12 0.00 0.82 0.00 0.00 66.70 66.93 3a6n h VAL 95 Cb -0.06 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3a6n h VAL 95 CO -0.04 0.27 -0.37 0.03 0.02 0.00 0.00 177.57 177.48 3a6n h ARG 96 N 1.02 0.51 -0.15 1.57 3.08 -0.51 -1.55 114.38 118.34 3a6n h ARG 96 Ca 0.25 -0.24 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 3a6n h ARG 96 Cb 0.09 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.15 3a6n h ARG 96 CO -0.03 0.80 -0.56 -0.07 -1.07 0.00 0.00 179.97 179.04 3a6n h LEU 97 N 0.43 0.76 0.06 3.04 3.38 -0.47 -3.38 115.31 119.14 3a6n h LEU 97 Ca 0.04 -0.61 -0.11 0.00 0.09 0.00 0.00 57.88 57.30 3a6n h LEU 97 Cb 0.84 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.38 3a6n h LEU 97 CO 0.07 1.24 -0.46 -0.07 0.09 0.00 0.00 178.44 179.31 3a6n h LEU 98 N 0.33 0.31 -9.92 1.67 -0.00 -0.63 -3.47 115.31 103.60 3a6n h LEU 98 Ca -0.03 -0.90 -0.50 0.00 -0.00 0.00 0.00 57.88 56.45 3a6n h LEU 98 Cb 1.19 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.73 3a6n h LEU 98 CO 0.12 1.18 0.13 -0.76 -0.00 0.00 0.00 178.44 179.11 3a6n s LEU 99 N -8.17 4.23 0.38 1.67 1.43 -0.59 -5.07 118.68 112.56 3a6n s LEU 99 Ca -0.15 1.42 -0.08 0.00 -1.03 0.00 0.00 54.13 54.29 3a6n s LEU 99 Cb 0.00 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 3a6n s LEU 99 CO 0.78 -0.07 0.70 -2.16 0.23 0.00 0.00 176.35 175.82 3a6n s PRO 100 N -2.36 3.69 0.00 1.29 0.04 -1.26 -4.53 135.00 131.86 3a6n s PRO 100 Ca 0.48 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.78 3a6n s PRO 100 Cb -0.14 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.92 3a6n s PRO 100 CO 0.20 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.67 3a6n n GLY 101 N -1.35 0.00 0.27 0.56 0.00 -1.26 -1.97 105.19 101.44 3a6n n GLY 101 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3a6n n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a6n h GLU 102 N 0.00 0.14 -0.74 1.61 4.39 -1.99 -0.26 114.58 117.72 3a6n h GLU 102 Ca 0.00 -0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.86 3a6n h GLU 102 Cb 0.00 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.51 3a6n h GLU 102 CO 0.00 0.09 0.18 1.25 -1.16 0.00 0.00 179.01 179.37 3a6n h LEU 103 N 0.14 0.01 0.51 1.33 5.85 -1.77 0.11 115.31 121.49 3a6n h LEU 103 Ca 0.40 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 59.25 3a6n h LEU 103 Cb 0.71 0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.94 3a6n h LEU 103 CO -0.61 -0.05 -0.25 0.00 -0.34 0.00 0.00 178.44 177.20 3a6n h ALA 104 N 1.62 -0.69 -0.91 1.25 0.00 -0.60 -0.55 119.26 119.38 3a6n h ALA 104 Ca 0.42 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.27 3a6n h ALA 104 Cb 0.73 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3a6n h ALA 104 CO -0.52 -0.87 0.56 0.87 0.00 0.00 0.00 179.25 179.29 3a6n h LYS 105 N -0.73 0.91 -0.32 0.00 1.57 -0.88 0.35 116.57 117.47 3a6n h LYS 105 Ca -0.07 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.49 3a6n h LYS 105 Cb 0.55 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3a6n h LYS 105 CO 0.12 0.60 -0.47 0.45 -0.57 0.00 0.00 179.45 179.58 3a6n h HIS 106 N 0.94 1.05 0.10 -1.35 3.86 -0.73 -1.71 115.15 117.31 3a6n h HIS 106 Ca 0.43 -0.34 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3a6n h HIS 106 Cb 0.35 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3a6n h HIS 106 CO -0.03 1.16 -0.05 0.00 0.86 0.00 0.00 177.93 179.87 3a6n h ALA 107 N 0.78 -0.14 -0.88 2.45 0.00 -0.08 -0.67 119.26 120.73 3a6n h ALA 107 Ca 0.04 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.01 3a6n h ALA 107 Cb 1.06 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 3a6n h ALA 107 CO 0.11 -0.54 0.57 0.28 0.00 0.00 0.00 179.25 179.66 3a6n h VAL 108 N -0.21 0.87 0.07 0.00 2.07 -0.31 0.27 116.25 119.01 3a6n h VAL 108 Ca -0.01 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3a6n h VAL 108 Cb 0.17 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3a6n h VAL 108 CO 0.02 0.13 -0.03 -1.28 0.02 0.00 0.00 177.57 176.43 3a6n h SER 109 N 0.74 -0.08 -0.77 0.57 0.87 -0.87 -1.39 113.55 112.62 3a6n h SER 109 Ca 0.43 -0.34 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 3a6n h SER 109 Cb 0.63 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.56 3a6n h SER 109 CO -0.20 0.30 0.49 -0.33 -0.53 0.00 0.00 176.83 176.57 3a6n h GLU 110 N -0.48 0.93 0.24 2.24 4.39 -0.28 0.48 114.58 122.10 3a6n h GLU 110 Ca -0.01 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3a6n h GLU 110 Cb 0.41 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3a6n h GLU 110 CO 0.02 0.61 -0.16 0.78 -1.16 0.00 0.00 179.01 179.10 3a6n h GLY 111 N 0.96 -0.40 0.99 -3.84 0.00 -0.43 0.90 103.07 101.24 3a6n h GLY 111 Ca 0.30 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3a6n h GLY 111 CO -0.11 -0.16 0.21 -0.84 0.00 0.00 0.00 176.54 175.64 3a6n h THR 112 N -0.40 1.10 -0.53 4.70 2.02 -1.03 -1.52 112.91 117.25 3a6n h THR 112 Ca -0.02 -0.20 0.07 0.00 0.77 0.00 0.00 66.41 67.03 3a6n h THR 112 Cb 0.34 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.33 3a6n h THR 112 CO 0.01 0.09 0.21 0.50 0.37 0.00 0.00 175.52 176.71 3a6n h LYS 113 N 0.44 0.40 -0.23 6.66 3.64 -0.67 -0.78 116.57 126.02 3a6n h LYS 113 Ca 0.12 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3a6n h LYS 113 Cb -0.03 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3a6n h LYS 113 CO -0.02 0.26 -0.23 0.00 -2.27 0.00 0.00 179.45 177.19 3a6n h ALA 114 N 1.34 1.18 -0.05 5.00 0.00 -0.47 -2.46 119.26 123.80 3a6n h ALA 114 Ca 0.25 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3a6n h ALA 114 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3a6n h ALA 114 CO -0.23 0.53 -0.24 0.28 0.00 0.00 0.00 179.25 179.58 3a6n h VAL 115 N 0.39 1.45 -0.75 0.00 2.07 -0.51 -1.29 116.25 117.61 3a6n h VAL 115 Ca 0.06 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.89 3a6n h VAL 115 Cb 0.61 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.75 3a6n h VAL 115 CO 0.04 0.47 0.45 0.71 0.02 0.00 0.00 177.57 179.27 3a6n h THR 116 N -0.29 1.21 -0.47 2.57 1.35 -1.18 0.03 112.91 116.12 3a6n h THR 116 Ca -0.02 -0.46 -0.12 0.00 -0.55 0.00 0.00 66.41 65.27 3a6n h THR 116 Cb 0.90 0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.46 3a6n h THR 116 CO 0.05 0.22 -0.16 0.50 -0.25 0.00 0.00 175.52 175.88 3a6n h LYS 117 N 1.03 0.92 -0.72 4.72 3.64 -1.44 -2.62 116.57 122.10 3a6n h LYS 117 Ca 0.27 -0.35 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3a6n h LYS 117 Cb -0.04 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3a6n h LYS 117 CO -0.05 1.01 0.26 -0.92 -2.27 0.00 0.00 179.45 177.48 3a6n h TYR 118 N 0.81 1.13 0.00 1.91 3.20 -0.42 -2.25 116.97 121.34 3a6n h TYR 118 Ca 0.12 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3a6n h TYR 118 Cb 0.70 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.64 3a6n h TYR 118 CO 0.04 0.88 0.00 0.25 -1.64 0.00 0.00 178.16 177.69 3a6n n THR 119 N -4.32 0.00 -0.02 1.81 -2.24 -0.08 -3.21 114.28 106.22 3a6n n THR 119 Ca 0.06 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 3a6n n THR 119 Cb 0.20 -0.53 0.07 0.00 -2.10 0.00 0.00 70.33 67.97 3a6n n THR 119 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3a6n n SER 120 N -1.00 3.64 0.00 3.42 7.64 -0.85 -5.07 113.62 121.40 3a6n n SER 120 Ca 0.22 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.40 3a6n n SER 120 Cb 0.10 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 3a6n n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03