#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5h h TYR 25 N 0.00 0.52 -0.49 1.20 3.20 -1.99 -1.60 116.97 117.81 1d5h h TYR 25 Ca 0.00 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1d5h h TYR 25 Cb 0.00 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1d5h h TYR 25 CO 0.00 0.09 0.08 0.00 -1.64 0.00 0.00 178.16 176.70 1d5h h ASN 27 N 0.68 0.85 -0.10 0.00 4.21 -1.80 -1.20 115.58 118.22 1d5h h ASN 27 Ca 0.15 -0.21 -0.11 0.00 1.21 0.00 0.00 56.30 57.33 1d5h h ASN 27 Cb 0.39 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1d5h h ASN 27 CO 0.01 0.91 -0.38 -0.61 -1.29 0.00 0.00 177.43 176.07 1d5h h GLN 28 N 0.82 0.44 -0.12 0.81 -0.00 -1.07 -3.16 115.11 112.83 1d5h h GLN 28 Ca 0.16 -0.33 -0.19 0.00 -0.00 0.00 0.00 58.65 58.28 1d5h h GLN 28 Cb 0.48 0.06 -0.00 0.00 0.00 0.00 0.00 27.48 28.02 1d5h h GLN 28 CO 0.02 0.96 -0.72 1.98 0.00 0.00 0.00 178.83 181.08 1d5h h MET 29 N 0.00 0.55 -0.69 1.69 4.05 -0.86 -0.94 114.93 118.74 1d5h h MET 29 Ca -0.02 -0.43 -0.03 0.00 -0.28 0.00 0.00 59.70 58.94 1d5h h MET 29 Cb 1.01 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.87 1d5h h MET 29 CO 0.08 1.06 0.31 0.52 0.23 0.00 0.00 176.91 179.11 1d5h h MET 30 N 0.38 1.00 0.53 0.39 2.86 -1.33 -0.82 114.93 117.94 1d5h h MET 30 Ca -0.03 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1d5h h MET 30 Cb 1.30 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 32.79 1d5h h MET 30 CO 0.13 0.79 -0.25 0.87 1.06 0.00 0.00 176.91 179.50 1d5h h LYS 31 N 0.99 -0.68 -0.95 1.72 1.79 -1.50 0.37 116.57 118.31 1d5h h LYS 31 Ca 0.24 0.05 0.19 0.00 -2.18 0.00 0.00 60.65 58.95 1d5h h LYS 31 Cb 0.14 0.16 -0.11 0.00 -1.58 0.00 0.00 32.23 30.83 1d5h h LYS 31 CO -0.03 -0.45 0.53 0.77 -1.08 0.00 0.00 179.45 179.20 1d5h h SER 32 N -1.19 0.64 -0.10 0.86 0.02 -1.11 0.30 113.55 112.97 1d5h h SER 32 Ca -0.07 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1d5h h SER 32 Cb 0.55 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1d5h h SER 32 CO 0.12 0.19 0.00 0.54 -1.14 0.00 0.00 176.83 176.54 1d5h n ARG 33 N -4.85 1.29 -2.74 3.45 5.12 -0.32 -4.89 116.66 113.71 1d5h n ARG 33 Ca 0.22 -0.39 -0.16 0.00 -1.93 0.00 0.00 57.85 55.59 1d5h n ARG 33 Cb 0.58 -1.16 0.02 0.00 -1.16 0.00 0.00 32.46 30.75 1d5h n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1d5h n ASN 34 N -0.15 -4.76 -0.10 0.55 5.15 0.11 -4.92 115.26 111.14 1d5h n ASN 34 Ca 0.04 -0.18 -0.13 0.00 -0.60 0.00 0.00 54.58 53.70 1d5h n ASN 34 Cb 0.13 -3.65 -0.14 0.00 -0.53 0.00 0.00 39.78 35.58 1d5h n ASN 34 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1d5h n LEU 35 N -2.84 1.30 -1.08 1.20 4.32 0.13 -4.57 117.00 115.46 1d5h n LEU 35 Ca -0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.89 1d5h n LEU 35 Cb 0.59 -0.13 0.14 0.00 -1.62 0.00 0.00 43.42 42.40 1d5h n LEU 35 CO 0.32 0.67 0.28 0.35 -1.22 0.00 0.00 177.39 177.79 1d5h n THR 36 N -3.00 2.07 0.08 -5.08 -2.24 -0.97 -4.50 114.28 100.64 1d5h n THR 36 Ca -0.36 -3.27 -0.12 0.00 -2.27 0.00 0.00 64.05 58.03 1d5h n THR 36 Cb 1.08 -0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.88 1d5h n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1d5h h LYS 37 N 1.33 0.15 0.00 -0.78 1.57 -1.83 -3.37 116.57 113.64 1d5h h LYS 37 Ca 0.06 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1d5h h LYS 37 Cb 1.21 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 1d5h h LYS 37 CO 0.19 1.09 -0.17 -0.40 -0.57 0.00 0.00 179.45 179.59 1d5h n ASP 38 N -3.43 1.80 0.00 0.86 3.85 -1.26 -5.08 116.55 113.29 1d5h n ASP 38 Ca -0.06 -2.92 0.00 0.00 -0.71 0.00 0.00 54.79 51.10 1d5h n ASP 38 Cb 0.99 -0.39 0.00 0.00 -1.35 0.00 0.00 41.12 40.37 1d5h n ASP 38 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 1d5h n ARG 39 N -1.08 0.00 -3.93 0.11 0.63 -1.26 -5.13 116.66 106.00 1d5h n ARG 39 Ca 0.13 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.70 1d5h n ARG 39 Cb 0.67 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.46 1d5h n ARG 39 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1d5h s LYS 41 N 1.15 4.23 0.13 0.00 2.20 -1.26 -5.02 119.74 121.17 1d5h s LYS 41 Ca 0.04 0.41 -0.18 0.00 -0.36 0.00 0.00 55.97 55.87 1d5h s LYS 41 Cb -0.14 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1d5h s LYS 41 CO 0.03 0.30 1.76 -1.35 -0.36 0.00 0.00 175.35 175.73 1d5h h PRO 42 N 6.19 0.37 -3.49 4.03 0.11 -1.98 -3.43 132.00 133.79 1d5h h PRO 42 Ca -0.44 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 1d5h h PRO 42 Cb 1.19 -0.08 -0.24 0.00 0.11 0.00 0.00 31.00 31.98 1d5h h PRO 42 CO 0.72 0.28 -0.55 0.54 -0.21 0.00 0.00 178.00 178.77 1d5h s VAL 43 N -6.05 0.04 -0.08 3.15 0.11 -1.26 -0.60 120.40 115.71 1d5h s VAL 43 Ca -0.13 -0.30 -0.24 0.00 -2.93 0.00 0.00 61.98 58.38 1d5h s VAL 43 Cb 0.09 -0.28 0.05 0.00 -1.53 0.00 0.00 36.38 34.72 1d5h s VAL 43 CO 0.71 -0.17 0.55 0.21 -3.33 0.00 0.00 175.10 173.07 1d5h s ASN 44 N -0.54 -0.51 -0.05 3.54 2.47 -0.59 -5.00 114.94 114.25 1d5h s ASN 44 Ca -0.06 0.65 0.05 0.00 0.42 0.00 0.00 52.86 53.92 1d5h s ASN 44 Cb -0.04 0.63 -0.02 0.00 -1.45 0.00 0.00 41.25 40.38 1d5h s ASN 44 CO 0.01 -0.46 -0.20 -0.89 -3.72 0.00 0.00 177.10 171.83 1d5h s THR 45 N -0.86 2.52 -0.08 -5.21 2.01 -1.26 -0.43 115.64 112.33 1d5h s THR 45 Ca -0.09 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.02 1d5h s THR 45 Cb -0.02 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 1d5h s THR 45 CO 0.06 0.58 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.08 1d5h s PHE 46 N -0.42 2.77 -0.22 4.92 0.08 -0.83 -4.99 117.98 119.29 1d5h s PHE 46 Ca 0.04 -0.32 -0.06 0.00 0.12 0.00 0.00 56.93 56.72 1d5h s PHE 46 Cb -0.12 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1d5h s PHE 46 CO 0.02 0.05 0.02 0.08 -0.10 0.00 0.00 175.22 175.29 1d5h s VAL 47 N -0.32 4.02 -0.55 -0.44 1.01 -1.26 -2.04 120.40 120.81 1d5h s VAL 47 Ca 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1d5h s VAL 47 Cb -0.13 -2.84 0.12 0.00 0.00 0.00 0.00 36.38 33.53 1d5h s VAL 47 CO 0.02 0.40 2.61 1.41 0.00 0.00 0.00 175.10 179.54 1d5h n HIS 48 N 4.56 1.90 -4.35 5.22 8.25 0.35 -4.91 115.22 126.24 1d5h n HIS 48 Ca -0.17 -2.03 -0.18 0.00 -0.26 0.00 0.00 57.72 55.08 1d5h n HIS 48 Cb 0.51 -1.34 -0.10 0.00 1.12 0.00 0.00 29.99 30.18 1d5h n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1d5h s GLU 49 N -2.21 1.37 0.65 -0.41 0.41 -1.26 -4.69 118.70 112.56 1d5h s GLU 49 Ca 0.57 -1.69 -0.17 0.00 -0.41 0.00 0.00 54.97 53.27 1d5h s GLU 49 Cb 0.39 -0.73 -0.00 0.00 -1.78 0.00 0.00 34.13 32.01 1d5h s GLU 49 CO -0.26 -0.06 1.22 -1.54 -0.49 0.00 0.00 175.26 174.12 1d5h s SER 50 N -3.33 4.74 0.17 -0.19 1.04 -1.26 -4.89 113.70 109.97 1d5h s SER 50 Ca 0.28 2.40 -0.15 0.00 0.48 0.00 0.00 55.95 58.96 1d5h s SER 50 Cb 0.05 -2.60 0.05 0.00 0.10 0.00 0.00 66.02 63.62 1d5h s SER 50 CO 0.09 -1.90 1.83 0.25 0.98 0.00 0.00 173.24 174.49 1d5h h LEU 51 N 0.37 0.56 -0.83 2.42 5.85 -2.00 -2.61 115.31 119.08 1d5h h LEU 51 Ca -0.49 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1d5h h LEU 51 Cb 1.30 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1d5h h LEU 51 CO 0.53 0.41 0.52 0.00 -0.34 0.00 0.00 178.44 179.56 1d5h h ALA 52 N 1.17 1.05 -0.15 1.25 0.00 -1.99 -1.35 119.26 119.24 1d5h h ALA 52 Ca 0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1d5h h ALA 52 Cb -0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1d5h h ALA 52 CO -0.04 0.49 -0.16 -0.44 0.00 0.00 0.00 179.25 179.10 1d5h h ASP 53 N 1.13 0.24 0.33 0.00 3.32 -1.85 -2.06 116.42 117.52 1d5h h ASP 53 Ca 0.30 -0.05 -0.23 0.00 0.02 0.00 0.00 57.03 57.07 1d5h h ASP 53 Cb -0.08 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1d5h h ASP 53 CO -0.06 0.42 -0.95 0.58 -1.72 0.00 0.00 179.24 177.51 1d5h h VAL 54 N 0.23 1.40 0.00 -1.35 2.07 -1.12 -3.25 116.25 114.24 1d5h h VAL 54 Ca 0.05 -2.45 -0.05 0.00 0.82 0.00 0.00 66.70 65.07 1d5h h VAL 54 Cb 0.43 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1d5h h VAL 54 CO 0.03 0.73 -0.22 1.56 0.02 0.00 0.00 177.57 179.69 1d5h h GLN 55 N 0.23 0.00 0.00 1.57 4.20 -0.98 -2.59 115.11 117.54 1d5h h GLN 55 Ca -0.08 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1d5h h GLN 55 Cb 1.59 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.36 1d5h h GLN 55 CO 0.16 0.22 -0.17 0.00 -0.67 0.00 0.00 178.83 178.38 1d5h h ALA 56 N 1.78 1.38 -0.51 3.87 0.00 -1.41 -2.96 119.26 121.42 1d5h h ALA 56 Ca -0.00 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1d5h h ALA 56 Cb 0.52 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1d5h h ALA 56 CO 0.03 0.21 0.35 0.28 0.00 0.00 0.00 179.25 180.11 1d5h h VAL 57 N 0.00 0.85 0.00 0.00 2.07 -1.58 -0.46 116.25 117.13 1d5h h VAL 57 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1d5h h VAL 57 Cb 0.38 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1d5h h VAL 57 CO 0.02 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1d5h n SER 59 N -0.84 1.26 0.00 0.00 2.88 -0.18 -5.02 113.62 111.71 1d5h n SER 59 Ca 0.03 -1.62 0.00 0.00 -1.33 0.00 0.00 58.87 55.95 1d5h n SER 59 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1d5h n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1d5h n GLN 60 N -0.31 0.43 -2.33 -1.46 6.02 0.71 -4.98 117.38 115.45 1d5h n GLN 60 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1d5h n GLN 60 Cb 0.34 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.58 1d5h n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1d5h s LYS 61 N 4.14 3.49 0.01 -1.09 2.47 -1.13 -4.89 119.74 122.74 1d5h s LYS 61 Ca 0.00 0.88 -0.30 0.00 -1.56 0.00 0.00 55.97 54.98 1d5h s LYS 61 Cb 0.00 -4.06 -0.05 0.00 -1.46 0.00 0.00 37.83 32.26 1d5h s LYS 61 CO 0.00 -1.67 1.23 1.21 0.16 0.00 0.00 175.35 176.28 1d5h s ASN 62 N 4.24 7.03 0.21 1.43 2.47 -1.26 -0.24 114.94 128.82 1d5h s ASN 62 Ca 0.61 1.95 -0.02 0.00 0.42 0.00 0.00 52.86 55.82 1d5h s ASN 62 Cb -0.14 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.06 1d5h s ASN 62 CO 0.31 -0.56 0.17 0.68 -3.72 0.00 0.00 177.10 173.99 1d5h s VAL 63 N 1.73 0.00 0.47 -5.21 -7.23 0.00 -4.94 120.40 105.23 1d5h s VAL 63 Ca 0.58 -1.94 -0.20 0.00 -1.81 0.00 0.00 61.98 58.61 1d5h s VAL 63 Cb -0.28 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.10 1d5h s VAL 63 CO 0.26 0.00 1.00 0.00 -0.31 0.00 0.00 175.10 176.05 1d5h s ALA 64 N -4.12 2.94 0.49 1.32 0.00 -1.26 -3.02 121.76 118.11 1d5h s ALA 64 Ca 0.37 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 1d5h s ALA 64 Cb 0.06 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 19.98 1d5h s ALA 64 CO 0.12 -0.17 0.74 0.00 0.00 0.00 0.00 175.76 176.45 1d5h h LYS 66 N 0.22 -0.08 0.00 0.00 1.57 -1.91 -0.48 116.57 115.90 1d5h h LYS 66 Ca -0.46 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1d5h h LYS 66 Cb 1.25 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1d5h h LYS 66 CO 0.58 -0.05 0.00 0.27 -0.57 0.00 0.00 179.45 179.68 1d5h n ASN 67 N -5.34 0.00 0.00 0.86 0.23 -1.26 -4.78 115.26 104.97 1d5h n ASN 67 Ca 0.02 -0.35 0.00 0.00 -0.53 0.00 0.00 54.58 53.72 1d5h n ASN 67 Cb 0.25 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 1d5h n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1d5h n GLY 68 N -0.38 3.40 3.75 4.83 0.00 -0.19 -5.05 105.19 111.55 1d5h n GLY 68 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1d5h n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d5h s GLN 69 N -0.81 2.82 -0.31 1.61 -1.52 -1.26 -4.57 119.66 115.62 1d5h s GLN 69 Ca 0.00 1.81 0.07 0.00 -1.95 0.00 0.00 55.36 55.28 1d5h s GLN 69 Cb 0.00 -1.91 0.46 0.00 -0.22 0.00 0.00 33.01 31.34 1d5h s GLN 69 CO 0.00 -1.32 1.22 0.25 -0.25 0.00 0.00 175.29 175.18 1d5h n THR 70 N -1.82 2.56 -1.44 -0.19 -2.24 -1.26 0.19 114.28 110.08 1d5h n THR 70 Ca 0.14 -4.22 -0.23 0.00 -2.27 0.00 0.00 64.05 57.47 1d5h n THR 70 Cb 0.50 -1.15 0.13 0.00 -2.10 0.00 0.00 70.33 67.71 1d5h n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1d5h n ASN 71 N -0.70 4.92 -4.72 3.42 6.94 -1.26 -4.72 115.26 119.14 1d5h n ASN 71 Ca 0.44 -3.74 -0.26 0.00 -0.02 0.00 0.00 54.58 51.01 1d5h n ASN 71 Cb 0.94 -0.77 -0.07 0.00 -2.36 0.00 0.00 39.78 37.53 1d5h n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1d5h s TYR 73 N -1.85 -0.21 -0.09 0.00 2.02 -0.34 -0.82 117.35 116.06 1d5h s TYR 73 Ca 0.29 0.52 -0.02 0.00 -0.37 0.00 0.00 57.07 57.49 1d5h s TYR 73 Cb -0.09 0.07 -0.03 0.00 -0.40 0.00 0.00 41.96 41.50 1d5h s TYR 73 CO 0.21 -0.11 0.00 -1.14 -1.57 0.00 0.00 175.55 172.94 1d5h s GLN 74 N 0.16 3.05 0.33 -0.62 0.74 0.67 -1.74 119.66 122.25 1d5h s GLN 74 Ca -0.00 -0.41 -0.28 0.00 0.05 0.00 0.00 55.36 54.72 1d5h s GLN 74 Cb -0.02 -2.82 -0.10 0.00 1.10 0.00 0.00 33.01 31.18 1d5h s GLN 74 CO -0.00 0.67 1.20 -1.54 -0.55 0.00 0.00 175.29 175.06 1d5h s SER 75 N -0.78 6.91 0.19 6.67 1.04 -0.42 -2.86 113.70 124.44 1d5h s SER 75 Ca 0.12 2.45 -0.11 0.00 0.48 0.00 0.00 55.95 58.89 1d5h s SER 75 Cb -0.11 -2.63 0.10 0.00 0.10 0.00 0.00 66.02 63.48 1d5h s SER 75 CO 0.02 -0.41 1.78 1.88 0.98 0.00 0.00 173.24 177.49 1d5h h TYR 76 N 3.38 0.92 -1.78 5.02 0.05 -1.95 -3.44 116.97 119.16 1d5h h TYR 76 Ca -0.48 -0.04 -0.56 0.00 0.05 0.00 0.00 58.73 57.70 1d5h h TYR 76 Cb 1.22 -0.29 -0.09 0.00 1.01 0.00 0.00 36.73 38.59 1d5h h TYR 76 CO 0.57 0.68 -0.54 -1.54 -1.05 0.00 0.00 178.16 176.28 1d5h s SER 77 N -6.02 4.46 0.57 3.88 1.04 -1.26 -5.06 113.70 111.31 1d5h s SER 77 Ca -0.13 -0.94 -0.14 0.00 0.48 0.00 0.00 55.95 55.22 1d5h s SER 77 Cb 0.14 -0.58 -0.05 0.00 0.10 0.00 0.00 66.02 65.62 1d5h s SER 77 CO 0.79 -0.37 1.02 0.42 0.98 0.00 0.00 173.24 176.07 1d5h s THR 78 N -2.51 4.40 0.15 2.02 -4.23 -1.26 -4.49 115.64 109.72 1d5h s THR 78 Ca 0.38 1.01 0.06 0.00 -1.18 0.00 0.00 61.69 61.96 1d5h s THR 78 Cb 0.00 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 1d5h s THR 78 CO 0.22 -0.79 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.34 1d5h s MET 79 N -4.46 1.11 -0.25 3.99 -1.94 0.18 -4.78 119.30 113.16 1d5h s MET 79 Ca 0.59 -1.43 -0.29 0.00 -1.71 0.00 0.00 55.69 52.84 1d5h s MET 79 Cb -0.12 -0.80 0.01 0.00 2.01 0.00 0.00 34.83 35.93 1d5h s MET 79 CO 0.41 0.12 1.04 0.45 -0.01 0.00 0.00 175.02 177.03 1d5h s SER 80 N -3.04 7.06 0.09 3.03 0.15 -1.26 -1.40 113.70 118.33 1d5h s SER 80 Ca 0.16 1.31 -0.02 0.00 0.70 0.00 0.00 55.95 58.11 1d5h s SER 80 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1d5h s SER 80 CO 0.03 -0.70 0.03 0.27 1.20 0.00 0.00 173.24 174.06 1d5h s ILE 81 N 3.27 0.17 -0.04 6.45 -4.36 -0.18 -0.50 121.20 126.00 1d5h s ILE 81 Ca 0.44 -1.80 0.01 0.00 -0.26 0.00 0.00 60.65 59.04 1d5h s ILE 81 Cb -0.15 -1.72 0.02 0.00 1.25 0.00 0.00 42.46 41.87 1d5h s ILE 81 CO 0.08 -0.75 -0.04 0.28 0.24 0.00 0.00 174.94 174.75 1d5h s THR 82 N -3.97 0.48 -0.08 8.37 -1.32 -0.87 -0.71 115.64 117.55 1d5h s THR 82 Ca 0.14 -0.09 -0.19 0.00 -1.21 0.00 0.00 61.69 60.34 1d5h s THR 82 Cb 0.07 -0.52 -0.05 0.00 -1.51 0.00 0.00 72.50 70.50 1d5h s THR 82 CO -0.05 0.21 0.52 -1.81 -2.21 0.00 0.00 174.62 171.28 1d5h s ASP 83 N 0.94 6.79 -0.22 8.08 1.01 0.63 -1.96 116.67 131.94 1d5h s ASP 83 Ca -0.11 0.94 -0.05 0.00 0.71 0.00 0.00 52.55 54.04 1d5h s ASP 83 Cb -0.14 -2.31 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 1d5h s ASP 83 CO -0.00 0.04 0.00 0.00 0.21 0.00 0.00 175.17 175.43 1d5h s ARG 85 N 1.36 1.64 0.26 0.00 6.06 -0.92 -1.55 118.95 125.80 1d5h s ARG 85 Ca 0.04 -0.35 -0.30 0.00 -2.50 0.00 0.00 55.73 52.63 1d5h s ARG 85 Cb -0.15 -1.51 -0.10 0.00 0.06 0.00 0.00 34.95 33.26 1d5h s ARG 85 CO 0.00 -0.11 1.45 -2.00 -2.50 0.00 0.00 175.30 172.15 1d5h s GLU 86 N 1.15 4.25 0.95 5.12 2.12 0.23 0.11 118.70 132.64 1d5h s GLU 86 Ca -0.05 2.33 -0.16 0.00 0.36 0.00 0.00 54.97 57.46 1d5h s GLU 86 Cb -0.14 -3.10 0.19 0.00 0.26 0.00 0.00 34.13 31.34 1d5h s GLU 86 CO -0.02 -0.44 1.31 0.95 -0.54 0.00 0.00 175.26 176.52 1d5h s THR 87 N -0.06 2.00 0.23 -1.70 -4.23 -0.58 -4.86 115.64 106.44 1d5h s THR 87 Ca 0.59 -0.01 0.16 0.00 -1.18 0.00 0.00 61.69 61.25 1d5h s THR 87 Cb -0.43 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.50 1d5h s THR 87 CO 0.44 0.00 1.71 1.23 -0.54 0.00 0.00 174.62 177.46 1d5h h GLY 88 N -1.60 0.00 -3.94 3.99 0.00 -1.95 -3.21 103.07 96.37 1d5h h GLY 88 Ca -0.44 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.28 1d5h h GLY 88 CO 0.39 0.00 0.73 -1.14 0.00 0.00 0.00 176.54 176.52 1d5h n SER 89 N -3.68 6.18 -4.56 0.19 3.41 -1.26 -4.94 113.62 108.97 1d5h n SER 89 Ca -0.01 -3.73 -0.34 0.00 -0.26 0.00 0.00 58.87 54.53 1d5h n SER 89 Cb 0.53 -0.90 -0.11 0.00 -0.26 0.00 0.00 64.21 63.46 1d5h n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1d5h s SER 90 N -1.73 4.80 -0.28 4.04 0.15 -1.21 -4.85 113.70 114.62 1d5h s SER 90 Ca 0.61 -0.04 -0.23 0.00 0.70 0.00 0.00 55.95 56.99 1d5h s SER 90 Cb 0.49 -1.50 0.10 0.00 -1.71 0.00 0.00 66.02 63.40 1d5h s SER 90 CO 0.03 0.28 0.84 -0.75 1.20 0.00 0.00 173.24 174.84 1d5h s LYS 91 N -0.29 0.67 0.40 5.44 2.36 -1.23 -4.93 119.74 122.15 1d5h s LYS 91 Ca 0.05 0.87 -0.11 0.00 -2.55 0.00 0.00 55.97 54.23 1d5h s LYS 91 Cb -0.13 0.29 -0.08 0.00 -1.05 0.00 0.00 37.83 36.87 1d5h s LYS 91 CO 0.02 -0.09 -0.62 0.98 1.55 0.00 0.00 175.35 177.19 1d5h n TYR 92 N 2.84 -0.51 0.00 4.03 9.36 -1.26 -1.17 117.16 130.45 1d5h n TYR 92 Ca -0.15 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.34 1d5h n TYR 92 Cb 0.56 -0.55 0.00 0.00 -0.63 0.00 0.00 39.34 38.72 1d5h n TYR 92 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1d5h n PRO 93 N 0.99 0.00 -2.94 2.98 -0.01 -1.26 -4.83 135.00 129.93 1d5h n PRO 93 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 63.50 63.05 1d5h n PRO 93 Cb 0.30 0.00 0.01 0.00 -0.01 0.00 0.00 33.50 33.80 1d5h n PRO 93 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1d5h n ASN 94 N -1.45 5.98 -4.76 2.55 3.02 -0.32 -5.01 115.26 115.27 1d5h n ASN 94 Ca 0.00 -3.27 -0.39 0.00 -0.03 0.00 0.00 54.58 50.89 1d5h n ASN 94 Cb 0.00 -1.34 0.01 0.00 -0.61 0.00 0.00 39.78 37.84 1d5h n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d5h s ALA 96 N -1.34 0.08 0.17 0.00 0.00 -1.26 -4.95 121.76 114.46 1d5h s ALA 96 Ca 0.63 0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.79 1d5h s ALA 96 Cb -0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1d5h s ALA 96 CO 0.45 -0.04 -0.18 0.71 0.00 0.00 0.00 175.76 176.71 1d5h s TYR 97 N 0.47 1.79 -0.18 0.00 2.02 -1.26 -1.53 117.35 118.66 1d5h s TYR 97 Ca -0.04 -0.48 -0.05 0.00 -0.37 0.00 0.00 57.07 56.12 1d5h s TYR 97 Cb -0.06 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.58 1d5h s TYR 97 CO -0.01 0.33 0.01 0.21 -1.57 0.00 0.00 175.55 174.51 1d5h s LYS 98 N -2.90 3.73 -0.18 -0.62 2.20 0.12 -4.87 119.74 117.21 1d5h s LYS 98 Ca 0.16 -0.48 -0.11 0.00 -0.36 0.00 0.00 55.97 55.18 1d5h s LYS 98 Cb -0.05 -3.07 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 1d5h s LYS 98 CO 0.07 0.15 0.19 0.99 -0.36 0.00 0.00 175.35 176.39 1d5h s THR 99 N 0.65 5.37 -0.20 3.43 2.01 -1.26 -2.16 115.64 123.48 1d5h s THR 99 Ca 0.00 0.33 -0.03 0.00 0.31 0.00 0.00 61.69 62.30 1d5h s THR 99 Cb -0.14 -3.53 0.06 0.00 0.01 0.00 0.00 72.50 68.90 1d5h s THR 99 CO 0.02 0.43 0.05 -0.89 -0.69 0.00 0.00 174.62 173.53 1d5h s THR 100 N 0.36 0.48 0.28 -0.82 2.01 -0.80 -4.99 115.64 112.15 1d5h s THR 100 Ca 0.11 -0.59 -0.20 0.00 0.31 0.00 0.00 61.69 61.32 1d5h s THR 100 Cb -0.12 -1.04 -0.09 0.00 0.01 0.00 0.00 72.50 71.27 1d5h s THR 100 CO 0.00 -0.26 0.79 -1.58 -0.69 0.00 0.00 174.62 172.88 1d5h s GLN 101 N 1.87 4.28 0.22 4.92 -0.44 -1.26 -0.27 119.66 128.98 1d5h s GLN 101 Ca 0.00 0.95 -0.23 0.00 -2.50 0.00 0.00 55.36 53.59 1d5h s GLN 101 Cb -0.17 -2.73 0.04 0.00 -1.64 0.00 0.00 33.01 28.51 1d5h s GLN 101 CO -0.10 0.30 0.84 0.00 0.50 0.00 0.00 175.29 176.82 1d5h s ALA 102 N -1.67 -1.42 -0.13 1.58 0.00 0.11 -4.96 121.76 115.27 1d5h s ALA 102 Ca 0.48 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1d5h s ALA 102 Cb -0.15 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.74 1d5h s ALA 102 CO 0.20 -1.04 -0.14 -0.80 0.00 0.00 0.00 175.76 173.98 1d5h s ASN 103 N -2.94 2.56 0.21 0.00 0.01 -1.26 -1.01 114.94 112.51 1d5h s ASN 103 Ca 0.12 -0.45 -0.23 0.00 -0.71 0.00 0.00 52.86 51.59 1d5h s ASN 103 Cb -0.04 -1.12 0.04 0.00 0.41 0.00 0.00 41.25 40.54 1d5h s ASN 103 CO 0.05 -0.03 0.79 -1.59 -1.51 0.00 0.00 177.10 174.80 1d5h s LYS 104 N 1.32 1.48 -0.07 -0.60 -2.85 -0.49 -4.79 119.74 113.74 1d5h s LYS 104 Ca 0.01 -0.78 -0.30 0.00 -1.00 0.00 0.00 55.97 53.90 1d5h s LYS 104 Cb -0.14 0.53 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 1d5h s LYS 104 CO -0.07 -0.67 1.26 -1.01 0.10 0.00 0.00 175.35 174.95 1d5h s HIS 105 N -3.65 3.03 0.36 1.78 3.76 -1.26 -0.65 115.29 118.66 1d5h s HIS 105 Ca 0.10 1.08 -0.03 0.00 -0.15 0.00 0.00 55.06 56.06 1d5h s HIS 105 Cb -0.04 -3.49 -0.04 0.00 1.11 0.00 0.00 32.58 30.12 1d5h s HIS 105 CO 0.02 -1.65 0.61 0.96 -0.85 0.00 0.00 174.74 173.83 1d5h s ILE 106 N 2.56 5.03 -0.09 0.60 -4.36 -1.26 0.15 121.20 123.83 1d5h s ILE 106 Ca 0.57 -0.11 -0.01 0.00 -0.26 0.00 0.00 60.65 60.84 1d5h s ILE 106 Cb -0.25 -3.82 0.03 0.00 1.25 0.00 0.00 42.46 39.67 1d5h s ILE 106 CO 0.21 -0.54 -0.02 -0.63 0.24 0.00 0.00 174.94 174.20 1d5h s ILE 107 N -2.33 0.62 0.10 8.37 1.01 -0.72 -1.31 121.20 126.93 1d5h s ILE 107 Ca 0.43 -0.06 0.10 0.00 0.00 0.00 0.00 60.65 61.12 1d5h s ILE 107 Cb -0.10 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1d5h s ILE 107 CO 0.36 0.27 -0.27 0.68 0.00 0.00 0.00 174.94 175.98 1d5h s VAL 108 N 1.87 2.21 0.00 2.92 -7.23 -0.71 -1.32 120.40 118.14 1d5h s VAL 108 Ca 0.05 -1.61 -0.14 0.00 -1.81 0.00 0.00 61.98 58.46 1d5h s VAL 108 Cb -0.13 -1.93 -0.06 0.00 0.56 0.00 0.00 36.38 34.83 1d5h s VAL 108 CO -0.06 0.20 0.40 0.00 -0.31 0.00 0.00 175.10 175.33 1d5h s ALA 109 N -0.96 3.70 0.18 1.32 0.00 -0.76 -1.20 121.76 124.05 1d5h s ALA 109 Ca 0.13 -0.24 0.09 0.00 0.00 0.00 0.00 51.96 51.94 1d5h s ALA 109 Cb -0.10 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 1d5h s ALA 109 CO 0.04 0.49 -0.19 0.00 0.00 0.00 0.00 175.76 176.11 1d5h s GLU 111 N -2.93 0.82 0.73 0.00 2.12 -0.62 -4.89 118.70 113.93 1d5h s GLU 111 Ca 0.18 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.44 1d5h s GLU 111 Cb -0.05 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.72 1d5h s GLU 111 CO 0.08 -0.31 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 1d5h n GLY 112 N 0.26 -1.82 3.00 -1.50 0.00 -1.26 -2.98 105.19 100.89 1d5h n GLY 112 Ca -0.12 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 1d5h n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1d5h s ASN 113 N -4.00 -0.03 0.57 1.61 2.47 -1.26 -3.38 114.94 110.92 1d5h s ASN 113 Ca 0.00 0.42 -0.21 0.00 0.42 0.00 0.00 52.86 53.50 1d5h s ASN 113 Cb 0.00 1.28 -0.04 0.00 -1.45 0.00 0.00 41.25 41.04 1d5h s ASN 113 CO 0.00 -0.28 1.30 -0.81 -3.72 0.00 0.00 177.10 173.58 1d5h n PRO 114 N 5.38 1.47 -2.14 0.43 -0.04 -1.26 -5.06 135.00 133.78 1d5h n PRO 114 Ca -0.04 0.55 -0.38 0.00 -0.04 0.00 0.00 63.50 63.59 1d5h n PRO 114 Cb 0.50 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 1d5h n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1d5h s TYR 115 N -1.33 1.79 0.30 0.54 5.04 -1.22 -4.89 117.35 117.59 1d5h s TYR 115 Ca 0.75 0.60 0.05 0.00 -2.44 0.00 0.00 57.07 56.03 1d5h s TYR 115 Cb -0.41 -4.19 -0.06 0.00 0.35 0.00 0.00 41.96 37.64 1d5h s TYR 115 CO 0.47 -2.23 0.01 0.14 -1.34 0.00 0.00 175.55 172.59 1d5h s VAL 116 N 8.48 1.38 0.23 3.14 -7.23 -1.16 -4.86 120.40 120.37 1d5h s VAL 116 Ca 0.61 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.44 1d5h s VAL 116 Cb -0.11 -2.63 -0.09 0.00 0.56 0.00 0.00 36.38 34.11 1d5h s VAL 116 CO 0.18 -0.15 1.25 -2.84 -0.31 0.00 0.00 175.10 173.23 1d5h s PRO 117 N -3.82 4.45 -0.00 4.82 0.02 -1.26 -1.59 135.00 137.62 1d5h s PRO 117 Ca 0.33 1.99 0.04 0.00 0.02 0.00 0.00 61.00 63.37 1d5h s PRO 117 Cb 0.07 -3.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.35 1d5h s PRO 117 CO 0.13 -0.13 0.10 1.33 -0.33 0.00 0.00 177.00 178.11 1d5h n VAL 118 N 2.12 0.00 -3.80 3.83 0.24 -0.58 -4.90 118.33 115.24 1d5h n VAL 118 Ca 0.04 -0.19 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 1d5h n VAL 118 Cb 0.43 0.60 -0.08 0.00 -1.47 0.00 0.00 33.84 33.33 1d5h n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1d5h s HIS 119 N -1.96 -0.03 -0.43 6.34 3.76 -1.22 -5.01 115.29 116.75 1d5h s HIS 119 Ca -0.00 -0.14 -0.08 0.00 -0.15 0.00 0.00 55.06 54.69 1d5h s HIS 119 Cb 0.02 0.03 0.10 0.00 1.11 0.00 0.00 32.58 33.84 1d5h s HIS 119 CO 0.15 -0.45 0.27 -0.06 -0.85 0.00 0.00 174.74 173.79 1d5h s PHE 120 N -2.45 3.41 -0.21 1.40 0.08 -1.26 -1.83 117.98 117.12 1d5h s PHE 120 Ca -0.06 -1.84 0.17 0.00 0.12 0.00 0.00 56.93 55.33 1d5h s PHE 120 Cb -0.01 -3.16 0.07 0.00 -0.57 0.00 0.00 43.02 39.34 1d5h s PHE 120 CO -0.03 -0.92 1.33 0.22 -0.10 0.00 0.00 175.22 175.72 1d5h h ASP 121 N 8.34 0.00 0.00 1.36 3.58 -1.55 -3.49 116.42 124.65 1d5h h ASP 121 Ca -0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1d5h h ASP 121 Cb 1.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1d5h h ASP 121 CO 0.77 0.39 0.00 0.00 -2.88 0.00 0.00 179.24 177.52 1d5h n ALA 122 N -2.23 0.00 -3.17 -0.78 0.00 -1.02 -4.90 120.51 108.41 1d5h n ALA 122 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1d5h n ALA 122 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.14 1d5h n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1d5h s SER 123 N -2.66 -1.00 0.00 0.00 1.04 -1.25 -1.76 113.70 108.07 1d5h s SER 123 Ca 0.00 0.67 0.25 0.00 0.48 0.00 0.00 55.95 57.35 1d5h s SER 123 Cb 0.00 1.86 0.47 0.00 0.10 0.00 0.00 66.02 68.44 1d5h s SER 123 CO 0.00 -0.19 1.42 1.33 0.98 0.00 0.00 173.24 176.78