#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6n n ARG 30 N 0.00 0.00 -3.71 1.43 5.12 -1.26 -4.61 116.66 113.62 3a6n n ARG 30 Ca 0.00 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.54 3a6n n ARG 30 Cb 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.18 3a6n n ARG 30 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3a6n s LYS 31 N 0.00 2.63 -0.12 5.56 2.47 -1.26 -5.08 119.74 123.95 3a6n s LYS 31 Ca 0.00 -1.21 -0.18 0.00 -1.56 0.00 0.00 55.97 53.02 3a6n s LYS 31 Cb 0.00 -3.54 -0.04 0.00 -1.46 0.00 0.00 37.83 32.79 3a6n s LYS 31 CO 0.00 -0.71 0.45 -1.83 0.16 0.00 0.00 175.35 173.42 3a6n s GLU 32 N 1.42 4.32 0.37 4.03 -1.05 -1.26 -5.07 118.70 121.47 3a6n s GLU 32 Ca -0.00 0.41 0.01 0.00 -0.15 0.00 0.00 54.97 55.23 3a6n s GLU 32 Cb -0.20 -3.43 -0.00 0.00 -0.44 0.00 0.00 34.13 30.06 3a6n s GLU 32 CO 0.03 0.18 0.04 -1.13 0.95 0.00 0.00 175.26 175.33 3a6n n SER 33 N 3.60 2.51 -0.88 0.83 3.41 -1.26 -5.05 113.62 116.78 3a6n n SER 33 Ca -0.08 -2.73 0.12 0.00 -0.26 0.00 0.00 58.87 55.92 3a6n n SER 33 Cb 0.52 0.44 0.26 0.00 -0.26 0.00 0.00 64.21 65.17 3a6n n SER 33 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3a6n n TYR 34 N -0.91 0.23 -0.32 7.33 4.01 -1.26 -4.73 117.16 121.52 3a6n n TYR 34 Ca -0.13 -0.12 -0.08 0.00 -0.16 0.00 0.00 57.90 57.41 3a6n n TYR 34 Cb 0.50 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.45 3a6n n TYR 34 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3a6n n SER 35 N 1.02 -0.81 -0.07 7.72 7.64 -1.26 -1.35 113.62 126.52 3a6n n SER 35 Ca 0.17 1.48 0.07 0.00 1.01 0.00 0.00 58.87 61.60 3a6n n SER 35 Cb 0.51 -0.23 0.43 0.00 -1.01 0.00 0.00 64.21 63.91 3a6n n SER 35 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 3a6n h ILE 36 N 0.00 1.02 -0.15 0.44 3.07 -1.99 -0.11 117.51 119.79 3a6n h ILE 36 Ca 0.12 -0.19 -0.21 0.00 1.55 0.00 0.00 64.86 66.13 3a6n h ILE 36 Cb 0.31 0.42 0.01 0.00 -0.27 0.00 0.00 36.82 37.29 3a6n h ILE 36 CO -0.72 0.10 -0.72 1.88 -1.05 0.00 0.00 178.15 177.65 3a6n h TYR 37 N 0.55 1.01 -0.51 0.16 0.05 -1.57 -0.93 116.97 115.75 3a6n h TYR 37 Ca 0.23 -0.44 -0.01 0.00 0.05 0.00 0.00 58.73 58.56 3a6n h TYR 37 Cb 0.21 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 3a6n h TYR 37 CO -0.00 1.27 0.30 0.28 -1.05 0.00 0.00 178.16 178.95 3a6n h VAL 38 N 0.47 1.16 -0.10 -2.88 2.07 -0.70 -1.71 116.25 114.56 3a6n h VAL 38 Ca -0.05 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3a6n h VAL 38 Cb 1.35 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3a6n h VAL 38 CO 0.15 0.17 0.05 0.22 0.02 0.00 0.00 177.57 178.18 3a6n h TYR 39 N 0.67 0.10 -0.43 1.57 3.20 -0.94 0.13 116.97 121.28 3a6n h TYR 39 Ca 0.18 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.12 3a6n h TYR 39 Cb 0.01 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 3a6n h TYR 39 CO -0.02 0.06 0.10 0.87 -1.64 0.00 0.00 178.16 177.53 3a6n h LYS 40 N 0.12 0.24 -0.15 1.82 1.57 -0.94 0.08 116.57 119.31 3a6n h LYS 40 Ca 0.04 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3a6n h LYS 40 Cb -0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3a6n h LYS 40 CO -0.02 0.16 -0.08 0.28 -0.57 0.00 0.00 179.45 179.22 3a6n h VAL 41 N 0.24 1.15 0.33 0.50 2.07 -0.88 -2.51 116.25 117.15 3a6n h VAL 41 Ca 0.21 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3a6n h VAL 41 Cb 0.24 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3a6n h VAL 41 CO -0.26 0.20 -0.16 0.25 0.02 0.00 0.00 177.57 177.62 3a6n h LEU 42 N 0.21 -0.37 -2.08 2.57 5.85 0.11 -2.57 115.31 119.03 3a6n h LEU 42 Ca 0.05 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.76 3a6n h LEU 42 Cb 0.28 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3a6n h LEU 42 CO 0.01 -0.14 0.21 0.11 -0.34 0.00 0.00 178.44 178.30 3a6n h LYS 43 N -0.59 0.00 -0.29 1.25 1.79 -0.97 0.47 116.57 118.22 3a6n h LYS 43 Ca -0.04 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 3a6n h LYS 43 Cb 0.43 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3a6n h LYS 43 CO 0.07 0.00 -0.14 1.96 -1.08 0.00 0.00 179.45 180.26 3a6n h GLN 44 N 0.00 0.61 0.00 3.15 4.20 -1.07 -2.04 115.11 119.96 3a6n h GLN 44 Ca 0.12 -0.27 -0.22 0.00 0.06 0.00 0.00 58.65 58.34 3a6n h GLN 44 Cb 0.55 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 3a6n h GLN 44 CO -0.00 0.84 -1.64 1.33 -0.67 0.00 0.00 178.83 178.69 3a6n n VAL 45 N -4.41 1.30 -3.27 -0.54 0.24 -0.74 -4.69 118.33 106.21 3a6n n VAL 45 Ca -0.03 -0.74 -0.21 0.00 -2.04 0.00 0.00 64.34 61.32 3a6n n VAL 45 Cb 0.37 -0.78 -0.08 0.00 -1.47 0.00 0.00 33.84 31.89 3a6n n VAL 45 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3a6n s HIS 46 N -2.79 0.33 0.45 6.34 3.76 0.16 -5.01 115.29 118.53 3a6n s HIS 46 Ca -0.04 -1.72 0.15 0.00 -0.15 0.00 0.00 55.06 53.30 3a6n s HIS 46 Cb 0.08 -0.60 1.10 0.00 1.11 0.00 0.00 32.58 34.27 3a6n s HIS 46 CO 0.82 -0.94 2.00 -1.35 -0.85 0.00 0.00 174.74 174.42 3a6n h PRO 47 N 5.81 0.31 0.00 8.40 0.11 -1.51 -1.65 132.00 143.47 3a6n h PRO 47 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3a6n h PRO 47 Cb 0.97 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3a6n h PRO 47 CO 0.27 0.21 -0.30 -0.40 -0.21 0.00 0.00 178.00 177.57 3a6n n ASP 48 N -4.46 0.30 -4.88 -2.05 5.75 -1.26 -4.88 116.55 105.07 3a6n n ASP 48 Ca 0.09 0.07 -0.35 0.00 -0.01 0.00 0.00 54.79 54.58 3a6n n ASP 48 Cb 0.38 -0.06 -0.05 0.00 -1.03 0.00 0.00 41.12 40.35 3a6n n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3a6n s THR 49 N -3.00 5.21 0.06 2.12 2.01 -0.62 -5.10 115.64 116.32 3a6n s THR 49 Ca 0.12 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.42 3a6n s THR 49 Cb 0.18 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 69.09 3a6n s THR 49 CO 0.63 0.34 0.02 0.61 -0.69 0.00 0.00 174.62 175.54 3a6n n GLY 50 N 1.06 3.57 3.28 4.40 0.00 -1.26 -4.78 105.19 111.47 3a6n n GLY 50 Ca -0.10 -2.21 -0.09 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.77 -0.44 0.80 -0.61 2.07 -1.26 -5.14 121.20 115.85 3a6n s ILE 51 Ca 0.02 0.14 -0.13 0.00 -1.41 0.00 0.00 60.65 59.26 3a6n s ILE 51 Cb -0.00 -0.66 0.08 0.00 0.13 0.00 0.00 42.46 42.00 3a6n s ILE 51 CO 0.01 0.06 1.20 -0.94 -1.91 0.00 0.00 174.94 173.36 3a6n s SER 52 N 2.20 3.68 0.23 4.50 1.04 -1.26 -4.72 113.70 119.37 3a6n s SER 52 Ca -0.05 2.35 -0.05 0.00 0.48 0.00 0.00 55.95 58.68 3a6n s SER 52 Cb -0.11 -2.59 0.23 0.00 0.10 0.00 0.00 66.02 63.66 3a6n s SER 52 CO -0.13 -2.61 1.76 0.77 0.98 0.00 0.00 173.24 174.01 3a6n h SER 53 N -0.84 0.95 -0.52 7.02 4.64 -2.01 0.21 113.55 122.99 3a6n h SER 53 Ca -0.46 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 60.65 3a6n h SER 53 Cb 1.29 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 3a6n h SER 53 CO 0.47 0.92 0.30 0.11 -0.87 0.00 0.00 176.83 177.76 3a6n h LYS 54 N 0.96 0.75 -0.09 4.77 1.57 -1.99 0.17 116.57 122.71 3a6n h LYS 54 Ca 0.20 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 3a6n h LYS 54 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3a6n h LYS 54 CO 0.00 0.56 -0.61 0.00 -0.57 0.00 0.00 179.45 178.83 3a6n h ALA 55 N 1.57 0.80 -0.51 3.86 0.00 -1.57 -2.11 119.26 121.30 3a6n h ALA 55 Ca 0.20 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3a6n h ALA 55 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3a6n h ALA 55 CO -0.03 0.73 -0.03 1.98 0.00 0.00 0.00 179.25 181.89 3a6n h MET 56 N 0.23 0.89 -0.64 0.00 1.85 0.92 -1.75 114.93 116.43 3a6n h MET 56 Ca -0.01 -0.27 0.00 0.00 -0.61 0.00 0.00 59.70 58.82 3a6n h MET 56 Cb 1.13 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 33.04 3a6n h MET 56 CO 0.10 0.91 0.42 0.78 -0.40 0.00 0.00 176.91 178.71 3a6n h GLY 57 N 0.99 0.90 0.79 1.39 0.00 -0.35 -0.92 103.07 105.86 3a6n h GLY 57 Ca 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3a6n h GLY 57 CO 0.03 0.34 0.01 -2.22 0.00 0.00 0.00 176.54 174.70 3a6n h ILE 58 N 0.87 1.22 -0.97 2.60 1.08 -0.71 -2.05 117.51 119.56 3a6n h ILE 58 Ca 0.23 -0.69 0.03 0.00 -0.39 0.00 0.00 64.86 64.04 3a6n h ILE 58 Cb -0.09 1.49 -0.05 0.00 -3.07 0.00 0.00 36.82 35.10 3a6n h ILE 58 CO -0.05 0.20 0.64 0.24 -0.69 0.00 0.00 178.15 178.48 3a6n h MET 59 N -0.07 1.22 -0.12 2.37 2.86 -0.71 0.37 114.93 120.86 3a6n h MET 59 Ca 0.03 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3a6n h MET 59 Cb 0.29 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3a6n h MET 59 CO 0.00 0.80 0.08 -0.91 1.06 0.00 0.00 176.91 177.94 3a6n h ASN 60 N 1.25 0.14 -0.94 1.22 -0.26 -1.07 0.16 115.58 116.08 3a6n h ASN 60 Ca 0.38 -0.01 0.05 0.00 -0.56 0.00 0.00 56.30 56.15 3a6n h ASN 60 Cb -0.04 -0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 37.13 3a6n h ASN 60 CO -0.11 0.10 0.61 0.28 -1.06 0.00 0.00 177.43 177.26 3a6n h SER 61 N 0.16 0.99 -0.24 5.81 0.02 -0.84 -0.20 113.55 119.24 3a6n h SER 61 Ca 0.04 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3a6n h SER 61 Cb -0.01 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3a6n h SER 61 CO -0.01 0.67 0.12 0.15 -1.14 0.00 0.00 176.83 176.61 3a6n h PHE 62 N 1.14 0.35 -0.46 3.45 3.57 0.08 -1.28 116.94 123.79 3a6n h PHE 62 Ca 0.38 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.73 3a6n h PHE 62 Cb 0.07 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3a6n h PHE 62 CO -0.00 0.33 -0.24 0.28 -2.23 0.00 0.00 178.31 176.45 3a6n h VAL 63 N 0.26 1.27 -0.69 1.41 2.07 -0.07 -1.21 116.25 119.30 3a6n h VAL 63 Ca 0.08 -1.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 3a6n h VAL 63 Cb 0.11 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3a6n h VAL 63 CO -0.01 0.48 0.21 0.78 0.02 0.00 0.00 177.57 179.05 3a6n h ASN 64 N 0.82 1.01 0.59 0.57 2.35 -1.01 0.13 115.58 120.05 3a6n h ASN 64 Ca 0.10 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 3a6n h ASN 64 Cb 0.81 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.92 3a6n h ASN 64 CO 0.07 0.96 -0.29 -0.78 -1.65 0.00 0.00 177.43 175.74 3a6n h ASP 65 N 1.01 -0.68 -0.99 5.81 3.58 -1.07 0.09 116.42 124.18 3a6n h ASP 65 Ca 0.22 -0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.71 3a6n h ASP 65 Cb 0.31 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.47 3a6n h ASP 65 CO -0.01 -0.35 0.64 0.40 -2.88 0.00 0.00 179.24 177.04 3a6n h ILE 66 N -1.01 1.06 -0.08 2.25 1.08 -1.18 0.73 117.51 120.35 3a6n h ILE 66 Ca -0.08 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.01 3a6n h ILE 66 Cb 0.67 -0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 3a6n h ILE 66 CO 0.13 0.20 0.02 0.15 -0.69 0.00 0.00 178.15 177.97 3a6n h PHE 67 N 1.12 0.04 -0.63 1.37 3.04 -0.54 -1.09 116.94 120.26 3a6n h PHE 67 Ca 0.44 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.36 3a6n h PHE 67 Cb 0.23 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 3a6n h PHE 67 CO -0.00 0.02 0.26 1.49 -2.02 0.00 0.00 178.31 178.06 3a6n h GLU 68 N 0.06 0.94 -0.21 1.11 4.57 0.00 -0.29 114.58 120.76 3a6n h GLU 68 Ca 0.03 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3a6n h GLU 68 Cb 0.02 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3a6n h GLU 68 CO -0.04 0.78 0.13 0.00 -1.18 0.00 0.00 179.01 178.71 3a6n h ARG 69 N 0.88 0.28 0.16 1.92 3.08 -0.62 0.26 114.38 120.35 3a6n h ARG 69 Ca 0.21 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3a6n h ARG 69 Cb 0.19 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3a6n h ARG 69 CO -0.02 0.22 -0.08 0.82 -1.07 0.00 0.00 179.97 179.85 3a6n h ILE 70 N 0.26 0.95 -0.48 2.04 2.04 -1.07 -1.46 117.51 119.79 3a6n h ILE 70 Ca 0.08 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3a6n h ILE 70 Cb 0.01 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3a6n h ILE 70 CO -0.01 0.13 0.30 0.00 0.00 0.00 0.00 178.15 178.57 3a6n h ALA 71 N 0.28 1.62 -0.12 1.87 0.00 -1.02 0.26 119.26 122.16 3a6n h ALA 71 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3a6n h ALA 71 Cb 0.39 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3a6n h ALA 71 CO 0.04 0.34 0.02 0.78 0.00 0.00 0.00 179.25 180.42 3a6n h GLY 72 N 0.68 0.21 0.93 0.00 0.00 -0.38 0.23 103.07 104.75 3a6n h GLY 72 Ca 0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 3a6n h GLY 72 CO -0.03 0.13 0.04 -2.09 0.00 0.00 0.00 176.54 174.59 3a6n h GLU 73 N -0.03 0.66 -0.80 4.80 4.57 -0.83 -1.22 114.58 121.72 3a6n h GLU 73 Ca 0.04 -0.19 0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3a6n h GLU 73 Cb 0.30 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 3a6n h GLU 73 CO 0.00 0.73 0.50 0.00 -1.18 0.00 0.00 179.01 179.06 3a6n h ALA 74 N 0.91 1.08 0.08 2.92 0.00 -0.89 0.50 119.26 123.85 3a6n h ALA 74 Ca 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3a6n h ALA 74 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3a6n h ALA 74 CO 0.01 0.25 -0.12 1.03 0.00 0.00 0.00 179.25 180.43 3a6n h SER 75 N 0.93 -0.33 -0.12 0.00 0.87 -0.65 -0.43 113.55 113.83 3a6n h SER 75 Ca 0.34 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.98 3a6n h SER 75 Cb 0.12 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 3a6n h SER 75 CO -0.15 -0.18 -0.12 0.03 -0.53 0.00 0.00 176.83 175.88 3a6n h ARG 76 N -0.24 -0.15 -0.59 2.24 3.08 0.04 -1.42 114.38 117.35 3a6n h ARG 76 Ca 0.02 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.20 3a6n h ARG 76 Cb 0.25 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.24 3a6n h ARG 76 CO -0.06 -0.10 0.04 -0.07 -1.07 0.00 0.00 179.97 178.71 3a6n h LEU 77 N -0.15 -0.17 -0.75 3.04 3.38 0.42 0.11 115.31 121.20 3a6n h LEU 77 Ca 0.08 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 3a6n h LEU 77 Cb 0.27 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3a6n h LEU 77 CO -0.21 -0.07 0.26 0.00 0.09 0.00 0.00 178.44 178.51 3a6n h ALA 78 N 1.51 0.98 -0.46 1.53 0.00 -0.63 -2.65 119.26 119.54 3a6n h ALA 78 Ca 0.31 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3a6n h ALA 78 Cb 0.48 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3a6n h ALA 78 CO -0.46 0.64 0.12 0.45 0.00 0.00 0.00 179.25 180.00 3a6n h HIS 79 N 1.10 0.77 -0.77 0.00 3.86 -0.14 0.23 115.15 120.21 3a6n h HIS 79 Ca 0.24 -0.09 0.07 0.00 -1.16 0.00 0.00 60.37 59.43 3a6n h HIS 79 Cb 0.28 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.48 3a6n h HIS 79 CO 0.02 0.70 0.50 1.88 0.86 0.00 0.00 177.93 181.90 3a6n h TYR 80 N 0.62 0.83 -0.67 2.45 0.05 -0.67 -1.53 116.97 118.05 3a6n h TYR 80 Ca 0.15 0.02 -0.19 0.00 0.05 0.00 0.00 58.73 58.75 3a6n h TYR 80 Cb 0.31 -0.27 -0.12 0.00 1.01 0.00 0.00 36.73 37.67 3a6n h TYR 80 CO 0.02 0.43 0.25 0.09 -1.05 0.00 0.00 178.16 177.90 3a6n n ASN 81 N -4.48 4.60 -3.41 3.88 3.02 -1.01 -4.93 115.26 112.92 3a6n n ASN 81 Ca 0.11 -3.09 -0.23 0.00 -0.03 0.00 0.00 54.58 51.35 3a6n n ASN 81 Cb 0.23 -0.73 -0.01 0.00 -0.61 0.00 0.00 39.78 38.66 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 -0.08 -2.92 -3.83 3.52 5.02 -0.57 -4.96 118.16 114.34 3a6n n LYS 82 Ca 0.37 0.37 -0.29 0.00 -2.02 0.00 0.00 58.31 56.74 3a6n n LYS 82 Cb 1.29 -5.03 -0.04 0.00 -0.02 0.00 0.00 35.03 31.24 3a6n n LYS 82 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3a6n s ARG 83 N -6.04 3.49 0.00 1.97 3.00 0.75 -5.01 118.95 117.10 3a6n s ARG 83 Ca 0.40 -0.40 0.15 0.00 0.00 0.00 0.00 55.73 55.89 3a6n s ARG 83 Cb -0.22 -2.95 0.09 0.00 0.00 0.00 0.00 34.95 31.87 3a6n s ARG 83 CO 0.50 0.52 0.94 -1.13 0.00 0.00 0.00 175.30 176.12 3a6n n SER 84 N -0.16 2.08 -4.06 0.23 3.41 -1.26 -4.29 113.62 109.57 3a6n n SER 84 Ca -0.05 -1.54 -0.22 0.00 -0.26 0.00 0.00 58.87 56.80 3a6n n SER 84 Cb 0.52 0.13 -0.15 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.41 1.02 -0.49 6.66 -1.32 -1.26 -5.10 115.64 113.74 3a6n s THR 85 Ca 0.16 -0.51 -0.21 0.00 -1.21 0.00 0.00 61.69 59.92 3a6n s THR 85 Cb 0.13 -0.88 0.04 0.00 -1.51 0.00 0.00 72.50 70.27 3a6n s THR 85 CO 0.24 0.30 0.73 -0.63 -2.21 0.00 0.00 174.62 173.05 3a6n s ILE 86 N -0.00 4.72 0.46 5.08 1.01 -1.26 -4.92 121.20 126.28 3a6n s ILE 86 Ca -0.01 0.01 0.08 0.00 0.00 0.00 0.00 60.65 60.73 3a6n s ILE 86 Cb -0.08 -4.33 0.02 0.00 0.01 0.00 0.00 42.46 38.08 3a6n s ILE 86 CO 0.01 -0.80 0.52 0.42 0.00 0.00 0.00 174.94 175.09 3a6n s THR 87 N 3.09 2.58 0.58 2.92 -4.23 -1.26 -4.95 115.64 114.37 3a6n s THR 87 Ca 0.23 -1.17 0.28 0.00 -1.18 0.00 0.00 61.69 59.85 3a6n s THR 87 Cb -0.15 -2.76 0.37 0.00 1.34 0.00 0.00 72.50 71.30 3a6n s THR 87 CO 0.17 0.00 2.01 0.77 -0.54 0.00 0.00 174.62 177.04 3a6n h SER 88 N 0.71 0.00 -0.35 3.99 4.64 -1.99 0.16 113.55 120.70 3a6n h SER 88 Ca -0.38 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.87 3a6n h SER 88 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 3a6n h SER 88 CO 0.50 0.00 -0.01 -0.09 -0.87 0.00 0.00 176.83 176.36 3a6n h ARG 89 N 0.00 0.73 -0.10 4.77 2.43 -1.99 -0.77 114.38 119.44 3a6n h ARG 89 Ca 0.15 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 3a6n h ARG 89 Cb 0.79 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3a6n h ARG 89 CO -0.00 0.75 -0.41 0.93 -1.51 0.00 0.00 179.97 179.73 3a6n h GLU 90 N 0.68 0.46 -0.73 0.20 3.07 -1.07 -2.52 114.58 114.67 3a6n h GLU 90 Ca 0.13 -0.35 0.09 0.00 -0.50 0.00 0.00 59.36 58.73 3a6n h GLU 90 Cb 0.44 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.37 3a6n h GLU 90 CO 0.02 0.98 0.48 0.82 -1.40 0.00 0.00 179.01 179.91 3a6n h ILE 91 N 0.04 0.96 -0.04 3.13 1.08 -1.29 -0.07 117.51 121.31 3a6n h ILE 91 Ca -0.02 -0.23 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 3a6n h ILE 91 Cb 1.04 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 3a6n h ILE 91 CO 0.09 0.12 -0.11 -0.61 -0.69 0.00 0.00 178.15 176.94 3a6n h GLN 92 N 0.67 0.15 -0.79 2.37 4.15 -1.08 -1.11 115.11 119.47 3a6n h GLN 92 Ca 0.33 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 3a6n h GLN 92 Cb 0.41 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 3a6n h GLN 92 CO -0.12 0.72 0.42 1.15 -1.93 0.00 0.00 178.83 179.06 3a6n h THR 93 N -0.39 1.24 -0.57 2.39 2.02 -1.21 0.63 112.91 117.02 3a6n h THR 93 Ca -0.00 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.59 3a6n h THR 93 Cb 0.72 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 3a6n h THR 93 CO 0.02 0.27 0.34 0.00 0.37 0.00 0.00 175.52 176.53 3a6n h ALA 94 N 1.35 0.73 -0.64 6.16 0.00 -0.96 0.05 119.26 125.94 3a6n h ALA 94 Ca 0.28 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3a6n h ALA 94 Cb 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3a6n h ALA 94 CO -0.04 0.07 0.21 0.28 0.00 0.00 0.00 179.25 179.76 3a6n h VAL 95 N 0.68 1.25 -0.53 0.00 2.07 -0.25 0.35 116.25 119.81 3a6n h VAL 95 Ca 0.23 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3a6n h VAL 95 Cb 0.02 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3a6n h VAL 95 CO -0.10 0.32 0.31 0.03 0.02 0.00 0.00 177.57 178.15 3a6n h ARG 96 N 0.93 0.59 0.00 1.57 -0.00 -0.12 -0.14 114.38 117.21 3a6n h ARG 96 Ca 0.21 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.98 59.54 3a6n h ARG 96 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 29.97 30.11 3a6n h ARG 96 CO -0.01 0.39 -0.56 -0.07 0.00 0.00 0.00 179.97 179.72 3a6n h LEU 97 N 0.60 0.00 0.04 3.04 3.38 -0.64 -3.37 115.31 118.37 3a6n h LEU 97 Ca 0.22 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.82 3a6n h LEU 97 Cb 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3a6n h LEU 97 CO -0.12 0.56 -2.24 0.18 0.09 0.00 0.00 178.44 176.91 3a6n n LEU 98 N -3.73 2.33 -4.81 1.67 4.77 0.08 -4.96 117.00 112.35 3a6n n LEU 98 Ca -0.01 0.04 -0.38 0.00 -0.03 0.00 0.00 56.01 55.64 3a6n n LEU 98 Cb 0.59 -0.72 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 3a6n n LEU 98 CO 0.41 0.81 0.28 -0.76 -1.33 0.00 0.00 177.39 176.80 3a6n s LEU 99 N -6.54 4.49 0.24 2.23 1.43 -0.09 -5.04 118.68 115.39 3a6n s LEU 99 Ca -0.25 1.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.81 3a6n s LEU 99 Cb 0.08 -3.02 -0.09 0.00 0.03 0.00 0.00 46.19 43.19 3a6n s LEU 99 CO 0.70 0.23 1.11 -2.16 0.23 0.00 0.00 176.35 176.46 3a6n s PRO 100 N -1.31 4.61 0.00 1.29 0.04 -1.26 -4.42 135.00 133.95 3a6n s PRO 100 Ca 0.32 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.15 3a6n s PRO 100 Cb -0.19 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.13 3a6n s PRO 100 CO 0.19 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.78 3a6n n GLY 101 N 1.54 0.00 0.21 0.56 0.00 -1.26 -0.24 105.19 106.00 3a6n n GLY 101 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3a6n n GLY 101 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a6n h GLU 102 N 0.00 0.07 -0.18 1.61 4.57 -2.01 -2.27 114.58 116.38 3a6n h GLU 102 Ca 0.00 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 3a6n h GLU 102 Cb 0.00 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3a6n h GLU 102 CO 0.00 0.33 -0.36 1.25 -1.18 0.00 0.00 179.01 179.06 3a6n h LEU 103 N 0.07 0.38 -0.23 1.64 5.85 -0.96 -2.81 115.31 119.26 3a6n h LEU 103 Ca 0.01 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 3a6n h LEU 103 Cb 0.50 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3a6n h LEU 103 CO 0.04 0.72 -0.04 0.00 -0.34 0.00 0.00 178.44 178.82 3a6n h ALA 104 N 1.31 0.31 0.33 1.25 0.00 -1.16 -1.82 119.26 119.48 3a6n h ALA 104 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3a6n h ALA 104 Cb 0.78 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3a6n h ALA 104 CO 0.06 0.08 -0.37 0.87 0.00 0.00 0.00 179.25 179.89 3a6n h LYS 105 N 0.17 -0.71 -1.00 0.00 1.79 -1.36 0.30 116.57 115.75 3a6n h LYS 105 Ca 0.06 0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 3a6n h LYS 105 Cb 0.48 0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 31.23 3a6n h LYS 105 CO 0.02 -0.48 0.66 0.45 -1.08 0.00 0.00 179.45 179.02 3a6n h HIS 106 N -0.74 1.24 -0.21 -1.35 3.86 -1.54 0.12 115.15 116.54 3a6n h HIS 106 Ca -0.02 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3a6n h HIS 106 Cb 0.68 -0.42 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3a6n h HIS 106 CO -0.23 0.73 0.09 0.00 0.86 0.00 0.00 177.93 179.39 3a6n h ALA 107 N 1.40 0.27 -0.09 2.45 0.00 -0.98 0.87 119.26 123.18 3a6n h ALA 107 Ca 0.39 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3a6n h ALA 107 Cb -0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3a6n h ALA 107 CO -0.11 -0.15 0.05 0.28 0.00 0.00 0.00 179.25 179.32 3a6n h VAL 108 N 0.20 1.03 0.28 0.00 2.07 0.32 0.21 116.25 120.36 3a6n h VAL 108 Ca 0.07 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3a6n h VAL 108 Cb 0.15 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3a6n h VAL 108 CO -0.01 0.03 -0.13 -1.28 0.02 0.00 0.00 177.57 176.20 3a6n h SER 109 N 0.12 -0.32 -0.69 0.57 0.87 0.08 -1.96 113.55 112.22 3a6n h SER 109 Ca 0.03 0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.75 3a6n h SER 109 Cb 0.00 0.08 -0.11 0.00 -0.44 0.00 0.00 62.40 61.93 3a6n h SER 109 CO -0.01 -0.11 0.10 -0.33 -0.53 0.00 0.00 176.83 175.96 3a6n h GLU 110 N -0.62 0.19 0.16 2.24 4.39 -0.67 0.42 114.58 120.69 3a6n h GLU 110 Ca -0.04 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.67 3a6n h GLU 110 Cb 0.29 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 3a6n h GLU 110 CO 0.06 0.13 -0.33 0.78 -1.16 0.00 0.00 179.01 178.49 3a6n h GLY 111 N 0.20 -0.65 1.79 -3.84 0.00 -0.63 -0.49 103.07 99.45 3a6n h GLY 111 Ca 0.38 0.38 -0.05 0.00 0.00 0.00 0.00 47.33 48.05 3a6n h GLY 111 CO -0.53 -0.25 -0.10 -0.91 0.00 0.00 0.00 176.54 174.75 3a6n h THR 112 N -0.58 1.17 -0.36 4.70 1.35 -0.55 -2.50 112.91 116.14 3a6n h THR 112 Ca 0.02 -0.74 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 3a6n h THR 112 Cb 0.59 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 68.15 3a6n h THR 112 CO -0.17 0.23 0.13 0.50 -0.25 0.00 0.00 175.52 175.96 3a6n h LYS 113 N 0.26 0.55 -0.46 4.72 3.64 -0.29 -0.38 116.57 124.60 3a6n h LYS 113 Ca 0.05 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 3a6n h LYS 113 Cb 0.34 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3a6n h LYS 113 CO 0.02 0.56 0.00 0.00 -2.27 0.00 0.00 179.45 177.76 3a6n h ALA 114 N 0.97 1.14 -0.07 5.00 0.00 -0.80 -0.33 119.26 125.17 3a6n h ALA 114 Ca 0.12 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 3a6n h ALA 114 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3a6n h ALA 114 CO -0.01 0.55 -0.71 0.28 0.00 0.00 0.00 179.25 179.37 3a6n h VAL 115 N 0.71 1.39 -0.11 0.00 2.07 -1.27 0.57 116.25 119.61 3a6n h VAL 115 Ca 0.14 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.50 3a6n h VAL 115 Cb 0.43 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3a6n h VAL 115 CO 0.02 0.64 -0.01 0.74 0.02 0.00 0.00 177.57 178.98 3a6n h THR 116 N 0.24 1.27 -0.66 2.57 2.02 -0.74 -1.42 112.91 116.19 3a6n h THR 116 Ca -0.03 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 3a6n h THR 116 Cb 1.27 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 69.28 3a6n h THR 116 CO 0.12 0.25 0.30 0.50 0.37 0.00 0.00 175.52 177.05 3a6n h LYS 117 N -0.09 0.95 -0.58 6.66 3.64 -1.01 -2.22 116.57 123.93 3a6n h LYS 117 Ca 0.03 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 3a6n h LYS 117 Cb 0.39 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3a6n h LYS 117 CO 0.01 0.75 -0.01 -0.92 -2.27 0.00 0.00 179.45 177.02 3a6n h TYR 118 N 0.95 1.12 -0.52 1.91 3.20 -0.73 -3.18 116.97 119.72 3a6n h TYR 118 Ca 0.23 -0.20 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 3a6n h TYR 118 Cb 0.13 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3a6n h TYR 118 CO 0.01 1.00 -0.16 1.15 -1.64 0.00 0.00 178.16 178.52 3a6n h THR 119 N 0.92 1.27 0.00 1.81 2.02 -0.88 -3.41 112.91 114.63 3a6n h THR 119 Ca 0.16 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 66.02 3a6n h THR 119 Cb 0.56 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3a6n h THR 119 CO 0.03 0.46 0.00 -1.20 0.37 0.00 0.00 175.52 175.18 3a6n n SER 120 N -4.14 0.00 0.00 4.18 7.64 -0.87 -5.12 113.62 115.32 3a6n n SER 120 Ca 0.01 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.98 3a6n n SER 120 Cb 0.43 0.00 0.54 0.00 -1.01 0.00 0.00 64.21 64.17 3a6n n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03