#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5d h TYR 25 N 0.00 0.26 -0.43 1.20 3.20 -1.99 -2.12 116.97 117.09 1d5d h TYR 25 Ca 0.00 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1d5d h TYR 25 Cb 0.00 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1d5d h TYR 25 CO 0.00 -0.13 0.19 0.00 -1.64 0.00 0.00 178.16 176.57 1d5d h ASN 27 N 0.55 0.94 -0.03 0.00 2.35 -1.76 -1.75 115.58 115.89 1d5d h ASN 27 Ca 0.15 -0.21 -0.20 0.00 -0.55 0.00 0.00 56.30 55.49 1d5d h ASN 27 Cb 0.16 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 38.30 1d5d h ASN 27 CO -0.01 0.94 -0.75 0.06 -1.65 0.00 0.00 177.43 176.02 1d5d h GLN 28 N 0.93 0.55 -0.26 0.81 3.07 -1.20 -2.94 115.11 116.07 1d5d h GLN 28 Ca 0.19 -0.56 -0.14 0.00 0.09 0.00 0.00 58.65 58.22 1d5d h GLN 28 Cb 0.42 0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.12 1d5d h GLN 28 CO 0.01 1.18 -0.43 0.52 0.09 0.00 0.00 178.83 180.20 1d5d h MET 29 N 0.14 0.64 -0.31 0.06 2.86 -0.89 0.16 114.93 117.58 1d5d h MET 29 Ca -0.09 -0.34 -0.08 0.00 -2.06 0.00 0.00 59.70 57.13 1d5d h MET 29 Cb 1.43 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.09 1d5d h MET 29 CO 0.15 0.95 -0.16 0.52 1.06 0.00 0.00 176.91 179.42 1d5d h MET 30 N 0.52 0.56 0.08 1.72 2.86 -1.41 -0.41 114.93 118.84 1d5d h MET 30 Ca 0.04 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1d5d h MET 30 Cb 0.96 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1d5d h MET 30 CO 0.09 0.70 -0.04 -0.22 1.06 0.00 0.00 176.91 178.50 1d5d h LYS 31 N 0.51 -0.10 -0.95 1.72 1.63 -1.32 0.13 116.57 118.18 1d5d h LYS 31 Ca 0.09 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 60.02 1d5d h LYS 31 Cb 0.58 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.15 1d5d h LYS 31 CO 0.04 0.44 0.61 0.77 -3.45 0.00 0.00 179.45 177.86 1d5d h SER 32 N -0.80 0.82 -0.26 4.20 0.02 -0.59 -1.87 113.55 115.06 1d5d h SER 32 Ca -0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1d5d h SER 32 Cb 0.60 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1d5d h SER 32 CO 0.02 0.43 0.00 0.54 -1.14 0.00 0.00 176.83 176.68 1d5d n ARG 33 N -4.59 2.01 -3.51 3.45 5.12 -0.17 -4.90 116.66 114.07 1d5d n ARG 33 Ca 0.18 -1.11 -0.22 0.00 -1.93 0.00 0.00 57.85 54.77 1d5d n ARG 33 Cb 0.39 -1.45 0.07 0.00 -1.16 0.00 0.00 32.46 30.31 1d5d n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1d5d n ASN 34 N 0.31 -5.89 -0.12 0.55 4.05 -0.70 -4.92 115.26 108.54 1d5d n ASN 34 Ca 0.10 -0.50 -0.16 0.00 0.45 0.00 0.00 54.58 54.47 1d5d n ASN 34 Cb 0.39 -4.71 -0.11 0.00 1.23 0.00 0.00 39.78 36.59 1d5d n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1d5d n LEU 35 N -4.65 2.83 -1.43 1.20 4.32 0.38 -4.63 117.00 115.02 1d5d n LEU 35 Ca -0.00 -0.12 -0.11 0.00 -0.02 0.00 0.00 56.01 55.76 1d5d n LEU 35 Cb 0.56 -0.77 0.10 0.00 -1.62 0.00 0.00 43.42 41.69 1d5d n LEU 35 CO 0.60 0.88 0.25 0.35 -1.22 0.00 0.00 177.39 178.25 1d5d n THR 36 N -3.17 2.33 0.10 -5.08 -2.24 -0.62 -4.57 114.28 101.02 1d5d n THR 36 Ca -0.42 -3.74 0.07 0.00 -2.27 0.00 0.00 64.05 57.69 1d5d n THR 36 Cb 0.96 -0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 68.50 1d5d n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1d5d h LYS 37 N 1.68 0.00 0.00 -0.78 1.57 -1.82 -3.38 116.57 113.84 1d5d h LYS 37 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1d5d h LYS 37 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1d5d h LYS 37 CO 0.42 0.16 -0.23 -0.40 -0.57 0.00 0.00 179.45 178.83 1d5d n ASP 38 N -2.86 1.00 0.00 0.86 5.68 -1.26 -5.09 116.55 114.87 1d5d n ASP 38 Ca -0.03 -2.28 0.00 0.00 -0.50 0.00 0.00 54.79 51.98 1d5d n ASP 38 Cb 0.67 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1d5d n ASP 38 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1d5d n ARG 39 N -0.55 -0.46 -3.96 0.11 1.85 -1.26 -5.13 116.66 107.26 1d5d n ARG 39 Ca 0.06 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.56 1d5d n ARG 39 Cb 0.62 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.89 1d5d n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1d5d s LYS 41 N 1.40 4.28 0.17 0.00 2.20 -1.26 -5.01 119.74 121.52 1d5d s LYS 41 Ca 0.05 0.43 -0.17 0.00 -0.36 0.00 0.00 55.97 55.92 1d5d s LYS 41 Cb -0.14 -3.49 0.10 0.00 -1.51 0.00 0.00 37.83 32.80 1d5d s LYS 41 CO -0.03 0.04 1.67 -1.35 -0.36 0.00 0.00 175.35 175.32 1d5d h PRO 42 N 7.01 0.02 -3.40 4.03 0.11 -1.98 -3.43 132.00 134.37 1d5d h PRO 42 Ca -0.38 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.60 1d5d h PRO 42 Cb 1.17 -0.01 -0.19 0.00 0.11 0.00 0.00 31.00 32.08 1d5d h PRO 42 CO 0.75 0.02 -0.39 0.14 -0.21 0.00 0.00 178.00 178.31 1d5d s VAL 43 N -6.21 0.09 -0.04 3.15 -7.23 -1.26 -1.06 120.40 107.84 1d5d s VAL 43 Ca -0.14 -0.71 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 1d5d s VAL 43 Cb 0.14 -0.68 0.07 0.00 0.56 0.00 0.00 36.38 36.47 1d5d s VAL 43 CO 0.71 -0.39 0.65 0.21 -0.31 0.00 0.00 175.10 175.96 1d5d s ASN 44 N -1.66 -0.62 -0.07 4.85 2.47 -0.33 -5.01 114.94 114.57 1d5d s ASN 44 Ca -0.10 0.65 0.03 0.00 0.42 0.00 0.00 52.86 53.86 1d5d s ASN 44 Cb -0.04 0.52 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 1d5d s ASN 44 CO 0.00 -0.60 -0.17 -0.89 -3.72 0.00 0.00 177.10 171.72 1d5d s THR 45 N -1.24 1.49 -0.15 -5.21 2.01 -1.26 -0.60 115.64 110.69 1d5d s THR 45 Ca -0.11 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 1d5d s THR 45 Cb -0.00 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1d5d s THR 45 CO 0.09 0.43 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.08 1d5d s PHE 46 N 0.38 3.09 -0.21 4.92 0.08 -0.88 -5.00 117.98 120.36 1d5d s PHE 46 Ca -0.12 -0.14 -0.09 0.00 0.12 0.00 0.00 56.93 56.70 1d5d s PHE 46 Cb -0.15 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 1d5d s PHE 46 CO 0.05 0.09 0.10 0.08 -0.10 0.00 0.00 175.22 175.44 1d5d s VAL 47 N 0.15 4.99 -1.02 -0.44 1.01 -1.26 -1.77 120.40 122.06 1d5d s VAL 47 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1d5d s VAL 47 Cb -0.13 -3.29 0.31 0.00 0.00 0.00 0.00 36.38 33.27 1d5d s VAL 47 CO 0.02 0.41 1.88 1.41 0.00 0.00 0.00 175.10 178.83 1d5d n HIS 48 N 3.90 2.77 -4.33 5.22 -0.00 -0.35 -4.94 115.22 117.50 1d5d n HIS 48 Ca -0.16 -2.55 -0.17 0.00 -0.00 0.00 0.00 57.72 54.84 1d5d n HIS 48 Cb 0.52 -1.23 -0.10 0.00 -0.00 0.00 0.00 29.99 29.18 1d5d n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1d5d s GLU 49 N -4.14 1.46 0.48 -0.41 0.41 -1.26 -4.67 118.70 110.57 1d5d s GLU 49 Ca 0.41 -1.80 -0.21 0.00 -0.41 0.00 0.00 54.97 52.96 1d5d s GLU 49 Cb 0.22 -0.29 -0.08 0.00 -1.78 0.00 0.00 34.13 32.20 1d5d s GLU 49 CO -0.16 -0.31 1.09 -1.54 -0.49 0.00 0.00 175.26 173.85 1d5d s SER 50 N -3.34 6.19 0.18 -0.19 1.04 -1.26 -4.92 113.70 111.41 1d5d s SER 50 Ca 0.37 2.09 -0.14 0.00 0.48 0.00 0.00 55.95 58.75 1d5d s SER 50 Cb 0.07 -2.58 0.18 0.00 0.10 0.00 0.00 66.02 63.80 1d5d s SER 50 CO 0.14 -0.89 1.69 0.25 0.98 0.00 0.00 173.24 175.41 1d5d h LEU 51 N 1.69 -0.18 -1.32 2.42 6.46 -2.00 -1.68 115.31 120.70 1d5d h LEU 51 Ca -0.49 0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.33 1d5d h LEU 51 Cb 1.24 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 41.35 1d5d h LEU 51 CO 0.59 -0.06 -0.09 0.00 -0.62 0.00 0.00 178.44 178.26 1d5d h ALA 52 N 1.43 1.44 0.00 1.25 0.00 -1.99 -1.29 119.26 120.10 1d5d h ALA 52 Ca 0.24 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1d5d h ALA 52 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1d5d h ALA 52 CO -0.39 0.39 -0.46 -0.44 0.00 0.00 0.00 179.25 178.35 1d5d h ASP 53 N 0.33 0.00 0.23 0.00 3.32 -1.70 -1.62 116.42 116.98 1d5d h ASP 53 Ca 0.07 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.77 1d5d h ASP 53 Cb 0.37 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.95 1d5d h ASP 53 CO 0.02 0.46 -1.59 0.58 -1.72 0.00 0.00 179.24 176.98 1d5d h VAL 54 N 0.00 1.13 -0.27 -1.35 2.07 -1.00 -3.29 116.25 113.55 1d5d h VAL 54 Ca -0.00 -2.61 -0.04 0.00 0.82 0.00 0.00 66.70 64.86 1d5d h VAL 54 Cb 0.90 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.58 1d5d h VAL 54 CO 0.06 0.83 0.00 1.56 0.02 0.00 0.00 177.57 180.04 1d5d h GLN 55 N 0.12 0.40 -0.00 1.57 4.20 -1.18 -1.64 115.11 118.58 1d5d h GLN 55 Ca -0.30 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1d5d h GLN 55 Cb 2.14 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.85 1d5d h GLN 55 CO 0.23 0.42 0.01 0.00 -0.67 0.00 0.00 178.83 178.83 1d5d h ALA 56 N 1.63 1.01 0.00 3.87 0.00 -1.36 -2.19 119.26 122.22 1d5d h ALA 56 Ca 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1d5d h ALA 56 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1d5d h ALA 56 CO 0.01 -0.01 -0.05 0.28 0.00 0.00 0.00 179.25 179.48 1d5d h VAL 57 N 0.00 0.24 0.00 0.00 2.07 -1.42 -2.82 116.25 114.32 1d5d h VAL 57 Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1d5d h VAL 57 Cb 0.02 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1d5d h VAL 57 CO -0.00 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1d5d n SER 59 N -1.10 1.37 0.00 0.00 3.41 -1.06 -5.01 113.62 111.22 1d5d n SER 59 Ca 0.07 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1d5d n SER 59 Cb 0.05 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1d5d n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1d5d n GLN 60 N -0.78 0.17 -2.47 4.33 6.02 -0.61 -4.99 117.38 119.05 1d5d n GLN 60 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 1d5d n GLN 60 Cb 0.70 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.93 1d5d n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1d5d s LYS 61 N 4.06 3.60 0.14 -1.09 2.47 -1.04 -4.88 119.74 123.00 1d5d s LYS 61 Ca 0.00 0.68 -0.31 0.00 -1.56 0.00 0.00 55.97 54.79 1d5d s LYS 61 Cb 0.00 -3.99 -0.08 0.00 -1.46 0.00 0.00 37.83 32.30 1d5d s LYS 61 CO 0.00 -1.55 1.29 1.21 0.16 0.00 0.00 175.35 176.46 1d5d s ASN 62 N 3.35 6.94 0.18 1.43 3.04 -1.26 0.81 114.94 129.42 1d5d s ASN 62 Ca 0.54 2.27 -0.07 0.00 0.04 0.00 0.00 52.86 55.63 1d5d s ASN 62 Cb -0.10 -2.60 -0.02 0.00 -1.54 0.00 0.00 41.25 37.00 1d5d s ASN 62 CO 0.31 -0.53 0.25 0.68 -3.04 0.00 0.00 177.10 174.78 1d5d s VAL 63 N 0.59 0.05 0.34 -5.21 -7.23 0.84 -4.89 120.40 104.89 1d5d s VAL 63 Ca 0.59 -1.56 -0.22 0.00 -1.81 0.00 0.00 61.98 58.98 1d5d s VAL 63 Cb -0.34 -2.02 -0.10 0.00 0.56 0.00 0.00 36.38 34.48 1d5d s VAL 63 CO 0.34 -0.24 0.88 0.00 -0.31 0.00 0.00 175.10 175.77 1d5d s ALA 64 N -4.01 3.20 0.63 1.32 0.00 -1.26 -2.90 121.76 118.74 1d5d s ALA 64 Ca 0.22 0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.46 1d5d s ALA 64 Cb 0.04 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1d5d s ALA 64 CO 0.03 0.21 0.97 0.00 0.00 0.00 0.00 175.76 176.97 1d5d h LYS 66 N -0.35 0.35 -0.22 0.00 1.57 -1.93 0.38 116.57 116.36 1d5d h LYS 66 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1d5d h LYS 66 Cb 1.26 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1d5d h LYS 66 CO 0.62 0.23 0.00 0.27 -0.57 0.00 0.00 179.45 180.00 1d5d n ASN 67 N -4.48 0.87 0.00 0.86 0.23 -1.26 -4.88 115.26 106.60 1d5d n ASN 67 Ca 0.18 -2.02 0.00 0.00 -0.53 0.00 0.00 54.58 52.21 1d5d n ASN 67 Cb 0.70 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 1d5d n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1d5d n GLY 68 N 0.66 2.58 3.47 4.83 0.00 0.13 -5.01 105.19 111.85 1d5d n GLY 68 Ca 0.05 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1d5d n GLY 68 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1d5d n GLN 69 N 0.00 0.63 -0.80 1.61 -0.06 -1.26 -4.27 117.38 113.24 1d5d n GLN 69 Ca 0.00 0.23 -0.03 0.00 -2.00 0.00 0.00 57.00 55.20 1d5d n GLN 69 Cb 0.00 -1.57 0.24 0.00 -4.06 0.00 0.00 30.24 24.85 1d5d n GLN 69 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1d5d n THR 70 N -0.92 2.64 -1.14 1.69 -2.24 -1.26 0.13 114.28 113.18 1d5d n THR 70 Ca 0.11 -2.16 -0.26 0.00 -2.27 0.00 0.00 64.05 59.48 1d5d n THR 70 Cb 0.40 -0.33 0.13 0.00 -2.10 0.00 0.00 70.33 68.43 1d5d n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1d5d n ASN 71 N -0.73 5.30 -4.73 3.42 6.94 -1.26 -4.69 115.26 119.50 1d5d n ASN 71 Ca 0.35 -3.56 -0.30 0.00 -0.02 0.00 0.00 54.58 51.04 1d5d n ASN 71 Cb 1.15 -0.89 -0.07 0.00 -2.36 0.00 0.00 39.78 37.61 1d5d n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1d5d s TYR 73 N -1.36 0.12 -0.13 0.00 2.02 -0.28 -0.11 117.35 117.60 1d5d s TYR 73 Ca 0.27 0.00 -0.06 0.00 -0.37 0.00 0.00 57.07 56.92 1d5d s TYR 73 Cb -0.12 -0.12 -0.04 0.00 -0.40 0.00 0.00 41.96 41.28 1d5d s TYR 73 CO 0.20 -0.03 0.07 -1.14 -1.57 0.00 0.00 175.55 173.08 1d5d s GLN 74 N 0.22 3.49 0.30 -0.62 0.74 0.24 -1.88 119.66 122.16 1d5d s GLN 74 Ca -0.02 -0.29 -0.29 0.00 0.05 0.00 0.00 55.36 54.81 1d5d s GLN 74 Cb -0.03 -3.07 -0.10 0.00 1.10 0.00 0.00 33.01 30.90 1d5d s GLN 74 CO -0.01 0.57 1.27 -1.54 -0.55 0.00 0.00 175.29 175.03 1d5d s SER 75 N -0.47 6.89 0.23 6.67 1.04 -0.72 -2.48 113.70 124.85 1d5d s SER 75 Ca 0.10 2.57 -0.09 0.00 0.48 0.00 0.00 55.95 59.01 1d5d s SER 75 Cb -0.12 -2.64 0.20 0.00 0.10 0.00 0.00 66.02 63.56 1d5d s SER 75 CO 0.02 -0.46 1.90 1.88 0.98 0.00 0.00 173.24 177.56 1d5d h TYR 76 N 3.76 1.08 -1.08 5.02 0.05 -1.96 -3.44 116.97 120.40 1d5d h TYR 76 Ca -0.48 0.03 -0.63 0.00 0.05 0.00 0.00 58.73 57.70 1d5d h TYR 76 Cb 1.22 -0.37 -0.11 0.00 1.01 0.00 0.00 36.73 38.48 1d5d h TYR 76 CO 0.57 0.68 -0.51 -1.54 -1.05 0.00 0.00 178.16 176.31 1d5d s SER 77 N -5.98 4.17 0.54 3.88 1.04 -1.26 -5.07 113.70 111.02 1d5d s SER 77 Ca -0.13 -1.39 -0.12 0.00 0.48 0.00 0.00 55.95 54.79 1d5d s SER 77 Cb 0.16 -0.01 -0.06 0.00 0.10 0.00 0.00 66.02 66.22 1d5d s SER 77 CO 0.80 -0.68 0.95 0.42 0.98 0.00 0.00 173.24 175.70 1d5d s THR 78 N -2.75 4.68 0.11 2.02 -4.23 -1.26 -4.41 115.64 109.81 1d5d s THR 78 Ca 0.26 0.88 0.04 0.00 -1.18 0.00 0.00 61.69 61.70 1d5d s THR 78 Cb 0.04 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 1d5d s THR 78 CO 0.14 -0.87 -0.11 -0.04 -0.54 0.00 0.00 174.62 173.20 1d5d s MET 79 N -4.56 0.94 -0.09 3.99 -1.94 0.74 -4.80 119.30 113.57 1d5d s MET 79 Ca 0.55 -1.24 -0.30 0.00 -1.71 0.00 0.00 55.69 52.99 1d5d s MET 79 Cb -0.10 -0.65 -0.02 0.00 2.01 0.00 0.00 34.83 36.06 1d5d s MET 79 CO 0.42 0.10 1.17 0.45 -0.01 0.00 0.00 175.02 177.15 1d5d s SER 80 N -2.59 7.07 0.09 3.03 0.15 -1.26 -1.42 113.70 118.77 1d5d s SER 80 Ca 0.09 1.73 -0.00 0.00 0.70 0.00 0.00 55.95 58.46 1d5d s SER 80 Cb -0.02 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1d5d s SER 80 CO 0.01 -0.59 -0.01 0.27 1.20 0.00 0.00 173.24 174.12 1d5d s ILE 81 N 2.41 0.33 -0.17 6.45 -0.00 0.13 -1.21 121.20 129.15 1d5d s ILE 81 Ca 0.54 -1.88 -0.00 0.00 -0.00 0.00 0.00 60.65 59.31 1d5d s ILE 81 Cb -0.23 -1.74 0.04 0.00 -0.00 0.00 0.00 42.46 40.54 1d5d s ILE 81 CO 0.19 -0.80 -0.07 -0.89 -0.00 0.00 0.00 174.94 173.38 1d5d s THR 82 N -3.86 1.23 -0.12 8.37 2.01 -0.73 -1.42 115.64 121.11 1d5d s THR 82 Ca 0.14 -0.67 -0.20 0.00 0.31 0.00 0.00 61.69 61.26 1d5d s THR 82 Cb 0.07 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1d5d s THR 82 CO -0.05 0.17 0.58 -0.62 -0.69 0.00 0.00 174.62 174.02 1d5d s ASP 83 N 1.59 6.77 -0.25 3.53 -1.08 0.35 -2.07 116.67 125.51 1d5d s ASP 83 Ca 0.01 0.93 -0.04 0.00 -0.52 0.00 0.00 52.55 52.93 1d5d s ASP 83 Cb -0.15 -2.34 0.01 0.00 -1.46 0.00 0.00 42.92 38.98 1d5d s ASP 83 CO -0.08 -0.11 -0.02 0.00 0.52 0.00 0.00 175.17 175.48 1d5d s ARG 85 N 1.42 1.80 0.29 0.00 6.06 -0.99 -1.19 118.95 126.34 1d5d s ARG 85 Ca 0.03 -0.48 -0.29 0.00 -2.50 0.00 0.00 55.73 52.48 1d5d s ARG 85 Cb -0.16 -1.49 -0.10 0.00 0.06 0.00 0.00 34.95 33.26 1d5d s ARG 85 CO -0.03 0.08 1.45 -1.21 -2.50 0.00 0.00 175.30 173.09 1d5d s GLU 86 N 0.50 4.24 0.76 5.12 2.02 -0.22 0.66 118.70 131.77 1d5d s GLU 86 Ca -0.12 2.37 -0.13 0.00 0.02 0.00 0.00 54.97 57.11 1d5d s GLU 86 Cb -0.15 -3.07 0.18 0.00 0.10 0.00 0.00 34.13 31.19 1d5d s GLU 86 CO 0.04 -0.43 0.91 0.25 0.02 0.00 0.00 175.26 176.06 1d5d n THR 87 N 1.75 0.00 0.30 3.63 -2.24 -0.35 -4.84 114.28 112.53 1d5d n THR 87 Ca 0.05 -0.61 0.12 0.00 -2.27 0.00 0.00 64.05 61.34 1d5d n THR 87 Cb 0.40 -1.51 0.18 0.00 -2.10 0.00 0.00 70.33 67.29 1d5d n THR 87 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1d5d h GLY 88 N -1.51 0.00 -0.85 3.38 0.00 -1.95 -3.21 103.07 98.92 1d5d h GLY 88 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1d5d h GLY 88 CO 0.21 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.61 1d5d n SER 89 N -2.77 1.83 -4.72 0.19 3.41 -1.26 -4.91 113.62 105.39 1d5d n SER 89 Ca 0.03 -1.66 -0.42 0.00 -0.26 0.00 0.00 58.87 56.57 1d5d n SER 89 Cb 0.51 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1d5d n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1d5d s SER 90 N -1.81 7.12 -0.21 4.04 0.15 -1.22 -4.90 113.70 116.88 1d5d s SER 90 Ca 0.35 2.00 -0.11 0.00 0.70 0.00 0.00 55.95 58.89 1d5d s SER 90 Cb 0.20 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.99 1d5d s SER 90 CO 0.30 -0.43 0.49 -0.75 1.20 0.00 0.00 173.24 174.06 1d5d s LYS 91 N 0.91 0.48 0.47 5.44 2.20 -1.22 -4.93 119.74 123.09 1d5d s LYS 91 Ca 0.57 0.94 -0.24 0.00 -0.36 0.00 0.00 55.97 56.88 1d5d s LYS 91 Cb -0.29 0.06 -0.08 0.00 -1.51 0.00 0.00 37.83 36.02 1d5d s LYS 91 CO 0.30 -0.16 1.33 0.98 -0.36 0.00 0.00 175.35 177.43 1d5d n TYR 92 N 4.38 2.30 1.79 4.03 9.36 -1.26 -0.49 117.16 137.26 1d5d n TYR 92 Ca -0.21 0.46 0.10 0.00 3.32 0.00 0.00 57.90 61.56 1d5d n TYR 92 Cb 0.56 -2.39 0.50 0.00 -0.63 0.00 0.00 39.34 37.37 1d5d n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1d5d n PRO 93 N -0.32 1.20 -3.31 2.98 -0.04 -1.26 -4.97 135.00 129.27 1d5d n PRO 93 Ca 0.07 -0.30 -0.39 0.00 -0.04 0.00 0.00 63.50 62.84 1d5d n PRO 93 Cb 0.42 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 1d5d n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1d5d n ASN 94 N -0.48 5.19 -4.76 3.54 3.02 0.36 -5.06 115.26 117.08 1d5d n ASN 94 Ca 0.14 -3.28 -0.35 0.00 -0.03 0.00 0.00 54.58 51.06 1d5d n ASN 94 Cb 0.14 -1.12 0.03 0.00 -0.61 0.00 0.00 39.78 38.22 1d5d n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d5d s ALA 96 N -1.78 0.10 0.24 0.00 0.00 -1.26 -4.93 121.76 114.13 1d5d s ALA 96 Ca 0.74 0.30 0.12 0.00 0.00 0.00 0.00 51.96 53.11 1d5d s ALA 96 Cb -0.27 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1d5d s ALA 96 CO 0.33 -0.11 -0.20 0.71 0.00 0.00 0.00 175.76 176.48 1d5d s TYR 97 N 1.09 2.33 -0.16 0.00 2.02 -1.26 -1.21 117.35 120.16 1d5d s TYR 97 Ca -0.09 -0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 56.24 1d5d s TYR 97 Cb -0.13 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 1d5d s TYR 97 CO -0.03 0.62 -0.04 0.21 -1.57 0.00 0.00 175.55 174.74 1d5d s LYS 98 N -3.14 3.65 -0.23 -0.62 2.20 0.21 -4.84 119.74 116.97 1d5d s LYS 98 Ca 0.26 -0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 55.24 1d5d s LYS 98 Cb -0.06 -2.92 -0.05 0.00 -1.51 0.00 0.00 37.83 33.28 1d5d s LYS 98 CO 0.13 0.21 0.17 0.99 -0.36 0.00 0.00 175.35 176.50 1d5d s THR 99 N 0.44 5.36 -0.13 3.43 2.01 -1.26 -2.35 115.64 123.13 1d5d s THR 99 Ca -0.04 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.18 1d5d s THR 99 Cb -0.14 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 68.89 1d5d s THR 99 CO 0.03 0.35 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.39 1d5d s THR 100 N 0.95 0.84 0.21 -0.82 2.01 -0.92 -5.00 115.64 112.91 1d5d s THR 100 Ca 0.09 -0.33 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 1d5d s THR 100 Cb -0.13 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.32 1d5d s THR 100 CO 0.04 0.20 0.46 -1.58 -0.69 0.00 0.00 174.62 173.04 1d5d s GLN 101 N 1.76 3.65 0.02 4.92 -0.44 -1.26 -0.50 119.66 127.81 1d5d s GLN 101 Ca 0.03 -0.02 -0.29 0.00 -2.50 0.00 0.00 55.36 52.58 1d5d s GLN 101 Cb -0.14 -2.75 0.10 0.00 -1.64 0.00 0.00 33.01 28.58 1d5d s GLN 101 CO -0.07 0.36 1.24 0.00 0.50 0.00 0.00 175.29 177.32 1d5d s ALA 102 N -1.83 -2.21 -0.17 1.58 0.00 -0.51 -4.98 121.76 113.65 1d5d s ALA 102 Ca 0.43 0.35 -0.00 0.00 0.00 0.00 0.00 51.96 52.73 1d5d s ALA 102 Cb -0.11 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.63 1d5d s ALA 102 CO 0.26 -1.09 -0.07 -0.80 0.00 0.00 0.00 175.76 174.07 1d5d s ASN 103 N -3.28 2.93 0.23 0.00 0.01 -1.26 0.21 114.94 113.78 1d5d s ASN 103 Ca 0.20 -0.70 -0.09 0.00 -0.71 0.00 0.00 52.86 51.56 1d5d s ASN 103 Cb 0.02 -0.99 -0.02 0.00 0.41 0.00 0.00 41.25 40.67 1d5d s ASN 103 CO -0.02 -0.17 0.36 -1.59 -1.51 0.00 0.00 177.10 174.17 1d5d s LYS 104 N 1.58 1.43 0.32 -0.60 -2.85 -0.51 -4.72 119.74 114.39 1d5d s LYS 104 Ca 0.01 -1.38 -0.27 0.00 -1.00 0.00 0.00 55.97 53.33 1d5d s LYS 104 Cb -0.15 0.40 -0.09 0.00 -2.06 0.00 0.00 37.83 35.93 1d5d s LYS 104 CO -0.08 -0.55 1.04 -1.01 0.10 0.00 0.00 175.35 174.85 1d5d s HIS 105 N -4.07 3.54 0.09 1.78 3.76 -1.09 -0.19 115.29 119.12 1d5d s HIS 105 Ca 0.28 1.72 0.05 0.00 -0.15 0.00 0.00 55.06 56.96 1d5d s HIS 105 Cb 0.02 -3.14 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 1d5d s HIS 105 CO 0.10 -0.34 -0.02 0.96 -0.85 0.00 0.00 174.74 174.59 1d5d s ILE 106 N -1.40 3.92 -0.14 0.60 -4.36 -1.26 -0.72 121.20 117.84 1d5d s ILE 106 Ca 0.49 -1.01 0.01 0.00 -0.26 0.00 0.00 60.65 59.89 1d5d s ILE 106 Cb -0.26 -2.86 0.02 0.00 1.25 0.00 0.00 42.46 40.61 1d5d s ILE 106 CO 0.33 0.13 -0.18 -0.63 0.24 0.00 0.00 174.94 174.83 1d5d s ILE 107 N -1.29 1.78 0.12 8.37 1.09 0.75 -1.76 121.20 130.27 1d5d s ILE 107 Ca 0.25 -0.79 0.07 0.00 -1.10 0.00 0.00 60.65 59.08 1d5d s ILE 107 Cb -0.12 -1.62 -0.04 0.00 -1.06 0.00 0.00 42.46 39.63 1d5d s ILE 107 CO 0.17 0.50 -0.18 0.68 -0.10 0.00 0.00 174.94 176.01 1d5d s VAL 108 N 1.12 1.59 -0.16 2.92 -7.23 -0.79 -1.02 120.40 116.83 1d5d s VAL 108 Ca -0.02 -1.66 -0.09 0.00 -1.81 0.00 0.00 61.98 58.41 1d5d s VAL 108 Cb -0.14 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.18 1d5d s VAL 108 CO -0.06 -0.23 0.13 0.00 -0.31 0.00 0.00 175.10 174.63 1d5d s ALA 109 N -1.64 3.76 0.09 1.32 0.00 -0.81 -1.13 121.76 123.36 1d5d s ALA 109 Ca 0.09 -0.67 0.07 0.00 0.00 0.00 0.00 51.96 51.45 1d5d s ALA 109 Cb -0.08 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1d5d s ALA 109 CO 0.04 0.36 -0.13 0.00 0.00 0.00 0.00 175.76 176.03 1d5d s GLU 111 N -2.04 1.35 0.53 0.00 2.02 -0.77 -4.92 118.70 114.87 1d5d s GLU 111 Ca 0.19 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1d5d s GLU 111 Cb -0.11 0.55 0.00 0.00 0.10 0.00 0.00 34.13 34.67 1d5d s GLU 111 CO 0.11 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.22 1d5d n GLY 112 N -0.35 -2.13 2.87 -1.39 0.00 -1.26 -2.49 105.19 100.44 1d5d n GLY 112 Ca -0.13 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 1d5d n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1d5d s ASN 113 N -3.56 0.70 0.76 1.61 2.47 -1.26 -2.97 114.94 112.69 1d5d s ASN 113 Ca 0.00 0.11 -0.14 0.00 0.42 0.00 0.00 52.86 53.24 1d5d s ASN 113 Cb 0.00 0.78 0.06 0.00 -1.45 0.00 0.00 41.25 40.64 1d5d s ASN 113 CO 0.00 -0.30 1.22 -2.16 -3.72 0.00 0.00 177.10 172.14 1d5d s PRO 114 N 2.45 1.92 -0.65 0.43 0.04 -1.26 -5.05 135.00 132.88 1d5d s PRO 114 Ca 0.09 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 1d5d s PRO 114 Cb -0.15 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1d5d s PRO 114 CO -0.13 -2.01 1.82 -0.47 0.04 0.00 0.00 177.00 176.25 1d5d s TYR 115 N -1.99 1.73 0.27 0.56 5.04 -1.16 -4.87 117.35 116.92 1d5d s TYR 115 Ca 0.75 0.69 0.10 0.00 -2.44 0.00 0.00 57.07 56.18 1d5d s TYR 115 Cb -0.30 -4.13 -0.05 0.00 0.35 0.00 0.00 41.96 37.83 1d5d s TYR 115 CO 0.47 -2.24 -0.17 0.14 -1.34 0.00 0.00 175.55 172.41 1d5d s VAL 116 N 8.88 2.23 0.20 3.14 -7.23 -1.04 -4.83 120.40 121.76 1d5d s VAL 116 Ca 0.65 -2.33 -0.30 0.00 -1.81 0.00 0.00 61.98 58.18 1d5d s VAL 116 Cb -0.12 -2.27 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 1d5d s VAL 116 CO 0.18 -0.43 1.40 -2.84 -0.31 0.00 0.00 175.10 173.10 1d5d s PRO 117 N -3.56 4.31 0.00 4.82 0.02 -1.26 -1.84 135.00 137.49 1d5d s PRO 117 Ca 0.28 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1d5d s PRO 117 Cb -0.03 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1d5d s PRO 117 CO 0.13 -0.38 0.00 1.33 -0.33 0.00 0.00 177.00 177.75 1d5d n VAL 118 N 2.87 0.00 -3.87 3.83 0.24 -0.52 -4.93 118.33 115.95 1d5d n VAL 118 Ca 0.08 -0.13 -0.11 0.00 -2.04 0.00 0.00 64.34 62.14 1d5d n VAL 118 Cb 0.41 0.61 -0.11 0.00 -1.47 0.00 0.00 33.84 33.29 1d5d n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1d5d s HIS 119 N -1.61 0.01 -0.33 6.34 3.76 -1.21 -5.02 115.29 117.24 1d5d s HIS 119 Ca 0.00 -0.03 -0.12 0.00 -0.15 0.00 0.00 55.06 54.75 1d5d s HIS 119 Cb 0.00 -0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.63 1d5d s HIS 119 CO 0.00 -0.21 0.22 0.12 -0.85 0.00 0.00 174.74 174.02 1d5d s PHE 120 N -0.94 3.22 -0.11 1.40 2.19 -1.26 -1.93 117.98 120.55 1d5d s PHE 120 Ca -0.10 -0.22 -0.01 0.00 0.33 0.00 0.00 56.93 56.93 1d5d s PHE 120 Cb -0.06 -2.44 -0.25 0.00 -1.31 0.00 0.00 43.02 38.96 1d5d s PHE 120 CO 0.01 -0.34 0.40 -3.47 1.83 0.00 0.00 175.22 173.65 1d5d n ASP 121 N 5.08 1.76 0.00 6.13 2.03 -0.19 -4.98 116.55 126.38 1d5d n ASP 121 Ca -0.13 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1d5d n ASP 121 Cb 0.50 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1d5d n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1d5d n ALA 122 N -2.89 0.00 -3.68 -1.67 0.00 -1.09 -4.97 120.51 106.20 1d5d n ALA 122 Ca -0.29 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.00 1d5d n ALA 122 Cb 1.05 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.35 1d5d n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1d5d s SER 123 N -0.13 0.49 0.00 0.00 1.04 -1.26 -0.18 113.70 113.67 1d5d s SER 123 Ca 0.00 0.37 0.25 0.00 0.48 0.00 0.00 55.95 57.05 1d5d s SER 123 Cb 0.00 0.33 0.34 0.00 0.10 0.00 0.00 66.02 66.79 1d5d s SER 123 CO 0.00 -0.22 1.35 0.55 0.98 0.00 0.00 173.24 175.89