#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6o n GLU 2 N 0.00 2.00 -1.69 1.64 2.13 -1.26 -4.95 120.64 118.50 3d6o n GLU 2 Ca 0.00 0.71 -0.32 0.00 0.66 0.00 0.00 57.16 58.21 3d6o n GLU 2 Cb 0.00 -2.35 0.05 0.00 0.27 0.00 0.00 31.44 29.41 3d6o n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3d6o s THR 3 N -0.14 3.44 0.24 6.31 -4.23 -1.26 -4.85 115.64 115.16 3d6o s THR 3 Ca 0.67 0.61 -0.06 0.00 -1.18 0.00 0.00 61.69 61.73 3d6o s THR 3 Cb -0.65 -3.14 0.20 0.00 1.34 0.00 0.00 72.50 70.25 3d6o s THR 3 CO 0.51 -0.48 1.85 0.00 -0.54 0.00 0.00 174.62 175.96 3d6o h ALA 4 N -0.20 1.17 -0.65 3.99 0.00 -1.92 0.40 119.26 122.04 3d6o h ALA 4 Ca -0.46 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.32 3d6o h ALA 4 Cb 1.23 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3d6o h ALA 4 CO 0.54 0.65 0.43 0.00 0.00 0.00 0.00 179.25 180.87 3d6o h ALA 5 N 1.28 0.83 -0.45 0.00 0.00 -1.86 -0.97 119.26 118.09 3d6o h ALA 5 Ca 0.30 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 3d6o h ALA 5 Cb 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3d6o h ALA 5 CO -0.04 0.26 -0.28 0.00 0.00 0.00 0.00 179.25 179.19 3d6o h ALA 6 N 1.24 0.65 -0.71 0.00 0.00 -1.79 -2.20 119.26 116.45 3d6o h ALA 6 Ca 0.24 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3d6o h ALA 6 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3d6o h ALA 6 CO -0.05 0.68 0.45 -0.22 0.00 0.00 0.00 179.25 180.11 3d6o h LYS 7 N 0.82 0.88 -0.61 0.00 3.64 -0.75 -0.95 116.57 119.60 3d6o h LYS 7 Ca 0.09 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3d6o h LYS 7 Cb 0.86 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 3d6o h LYS 7 CO 0.08 0.58 0.37 0.35 -2.27 0.00 0.00 179.45 178.56 3d6o h PHE 8 N 0.90 0.70 -0.67 1.91 3.57 -0.89 0.01 116.94 122.47 3d6o h PHE 8 Ca 0.28 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.72 3d6o h PHE 8 Cb -0.03 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3d6o h PHE 8 CO -0.03 0.40 0.12 0.93 -2.23 0.00 0.00 178.31 177.49 3d6o h GLU 9 N 0.74 1.11 -0.45 1.11 5.08 -1.01 0.66 114.58 121.82 3d6o h GLU 9 Ca 0.24 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3d6o h GLU 9 Cb 0.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3d6o h GLU 9 CO -0.10 1.00 0.13 -0.09 -1.00 0.00 0.00 179.01 178.95 3d6o h ARG 10 N 1.04 0.70 0.00 2.33 2.43 -0.79 -2.22 114.38 117.87 3d6o h ARG 10 Ca 0.21 -0.15 -0.18 0.00 -0.81 0.00 0.00 59.98 59.04 3d6o h ARG 10 Cb 0.43 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3d6o h ARG 10 CO 0.01 0.68 -0.99 1.96 -1.51 0.00 0.00 179.97 180.12 3d6o h GLN 11 N 0.58 0.00 0.00 0.20 4.20 -0.86 -3.42 115.11 115.81 3d6o h GLN 11 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3d6o h GLN 11 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3d6o h GLN 11 CO -0.00 0.66 -0.01 0.72 -0.67 0.00 0.00 178.83 179.53 3d6o n HIS 12 N -3.20 0.00 -3.86 2.96 8.25 0.21 -4.67 115.22 114.91 3d6o n HIS 12 Ca -0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.07 3d6o n HIS 12 Cb 0.87 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.87 3d6o n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3d6o s MET 13 N -0.57 3.83 -0.42 -0.41 -1.94 -0.83 0.29 119.30 119.24 3d6o s MET 13 Ca 0.00 -0.40 0.04 0.00 -1.71 0.00 0.00 55.69 53.62 3d6o s MET 13 Cb 0.00 -3.31 0.17 0.00 2.01 0.00 0.00 34.83 33.70 3d6o s MET 13 CO 0.00 0.02 0.39 0.34 -0.01 0.00 0.00 175.02 175.76 3d6o s ASP 14 N 1.08 1.06 0.00 3.03 2.15 -0.65 -4.82 116.67 118.51 3d6o s ASP 14 Ca 0.05 -2.81 0.04 0.00 0.43 0.00 0.00 52.55 50.26 3d6o s ASP 14 Cb -0.14 -0.08 0.26 0.00 -0.30 0.00 0.00 42.92 42.66 3d6o s ASP 14 CO 0.03 -0.16 1.13 -1.20 -0.17 0.00 0.00 175.17 174.80 3d6o n SER 15 N 2.94 0.00 0.23 -0.34 7.64 -1.26 -4.13 113.62 118.71 3d6o n SER 15 Ca 0.27 -1.78 -0.12 0.00 1.01 0.00 0.00 58.87 58.25 3d6o n SER 15 Cb 0.49 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 3d6o n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3d6o h SER 16 N 0.00 -0.54 -2.76 6.43 4.64 -1.92 -3.46 113.55 115.94 3d6o h SER 16 Ca 0.00 -0.06 -0.59 0.00 -0.47 0.00 0.00 61.79 60.68 3d6o h SER 16 Cb 0.00 0.14 -0.09 0.00 -0.31 0.00 0.00 62.40 62.14 3d6o h SER 16 CO 0.00 -0.13 -0.62 -0.89 -0.87 0.00 0.00 176.83 174.32 3d6o s THR 17 N -4.10 4.03 -0.00 2.95 2.01 -1.26 -5.02 115.64 114.26 3d6o s THR 17 Ca -0.12 -1.31 0.30 0.00 0.31 0.00 0.00 61.69 60.87 3d6o s THR 17 Cb 0.01 -3.05 0.35 0.00 0.01 0.00 0.00 72.50 69.82 3d6o s THR 17 CO 0.39 -0.13 1.88 0.77 -0.69 0.00 0.00 174.62 176.84 3d6o h SER 18 N 2.52 0.00 -5.10 3.53 4.64 -1.88 -3.44 113.55 113.82 3d6o h SER 18 Ca -0.47 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.86 3d6o h SER 18 Cb 1.20 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.23 3d6o h SER 18 CO 0.60 0.05 0.08 0.00 -0.87 0.00 0.00 176.83 176.69 3d6o s ALA 19 N -3.56 -0.81 -0.05 5.18 0.00 -1.26 -4.81 121.76 116.44 3d6o s ALA 19 Ca 0.02 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 3d6o s ALA 19 Cb 0.08 0.94 -0.06 0.00 0.00 0.00 0.00 23.12 24.08 3d6o s ALA 19 CO 0.59 -0.96 1.79 0.00 0.00 0.00 0.00 175.76 177.18 3d6o s ALA 20 N -3.96 3.51 0.10 0.00 0.00 -1.26 -4.94 121.76 115.21 3d6o s ALA 20 Ca 0.16 1.00 -0.32 0.00 0.00 0.00 0.00 51.96 52.79 3d6o s ALA 20 Cb -0.04 -3.81 -0.13 0.00 0.00 0.00 0.00 23.12 19.14 3d6o s ALA 20 CO 0.08 -1.61 1.59 0.77 0.00 0.00 0.00 175.76 176.59 3d6o h SER 21 N 10.40 -1.15 -4.48 0.00 0.02 -1.99 -3.47 113.55 112.87 3d6o h SER 21 Ca -0.42 0.11 -0.43 0.00 -0.84 0.00 0.00 61.79 60.21 3d6o h SER 21 Cb 1.20 0.40 -0.11 0.00 0.14 0.00 0.00 62.40 64.03 3d6o h SER 21 CO 0.96 -0.54 -0.40 -1.54 -1.14 0.00 0.00 176.83 174.16 3d6o n SER 22 N -5.49 -0.15 0.00 3.07 3.41 -1.26 -5.02 113.62 108.18 3d6o n SER 22 Ca -0.10 -2.89 0.07 0.00 -0.26 0.00 0.00 58.87 55.70 3d6o n SER 22 Cb 0.40 1.30 0.34 0.00 -0.26 0.00 0.00 64.21 65.99 3d6o n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3d6o n SER 23 N -1.80 0.00 -0.86 4.04 3.41 -1.26 -2.15 113.62 114.99 3d6o n SER 23 Ca 0.04 0.40 0.09 0.00 -0.26 0.00 0.00 58.87 59.14 3d6o n SER 23 Cb 0.52 -0.45 0.14 0.00 -0.26 0.00 0.00 64.21 64.17 3d6o n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3d6o n ASN 24 N -1.45 2.92 -0.13 4.04 5.15 -1.26 -4.35 115.26 120.18 3d6o n ASN 24 Ca 0.05 -1.86 -0.04 0.00 -0.60 0.00 0.00 54.58 52.12 3d6o n ASN 24 Cb 0.17 -0.14 0.02 0.00 -0.53 0.00 0.00 39.78 39.29 3d6o n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3d6o h TYR 25 N 3.56 -0.39 -0.52 1.20 3.20 -1.83 -1.66 116.97 120.52 3d6o h TYR 25 Ca 0.00 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 3d6o h TYR 25 Cb 0.82 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 3d6o h TYR 25 CO 0.14 -0.25 -0.09 0.00 -1.64 0.00 0.00 178.16 176.32 3d6o h ASN 27 N 0.86 0.48 -0.12 0.00 2.35 -1.74 0.40 115.58 117.81 3d6o h ASN 27 Ca 0.14 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3d6o h ASN 27 Cb 0.65 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 3d6o h ASN 27 CO 0.05 0.32 -0.00 -0.61 -1.65 0.00 0.00 177.43 175.53 3d6o h GLN 28 N 0.61 0.22 -0.26 0.81 -0.00 -1.07 -3.14 115.11 112.28 3d6o h GLN 28 Ca 0.27 -0.07 -0.18 0.00 -0.00 0.00 0.00 58.65 58.67 3d6o h GLN 28 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.62 3d6o h GLN 28 CO -0.17 0.47 -0.54 0.52 0.00 0.00 0.00 178.83 179.11 3d6o h MET 29 N -0.06 0.83 -0.41 1.69 2.86 -0.44 -1.81 114.93 117.59 3d6o h MET 29 Ca 0.03 -0.54 -0.03 0.00 -2.06 0.00 0.00 59.70 57.10 3d6o h MET 29 Cb 0.37 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3d6o h MET 29 CO 0.01 1.17 0.12 0.52 1.06 0.00 0.00 176.91 179.79 3d6o h MET 30 N 0.59 0.60 0.31 1.72 2.86 -1.03 -1.39 114.93 118.59 3d6o h MET 30 Ca 0.01 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3d6o h MET 30 Cb 1.15 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.71 3d6o h MET 30 CO 0.12 0.54 -0.15 -0.22 1.06 0.00 0.00 176.91 178.26 3d6o h LYS 31 N 0.59 -0.40 0.00 1.72 3.64 -1.48 0.43 116.57 121.07 3d6o h LYS 31 Ca 0.14 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3d6o h LYS 31 Cb 0.19 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3d6o h LYS 31 CO -0.01 -0.07 -0.09 0.66 -2.27 0.00 0.00 179.45 177.68 3d6o h SER 32 N -0.79 0.00 -0.57 4.20 4.64 -1.12 -1.37 113.55 118.55 3d6o h SER 32 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3d6o h SER 32 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3d6o h SER 32 CO 0.07 0.09 0.00 0.54 -0.87 0.00 0.00 176.83 176.66 3d6o n ARG 33 N -3.50 2.51 -3.19 4.77 5.12 -0.54 -4.94 116.66 116.88 3d6o n ARG 33 Ca -0.02 -2.12 -0.21 0.00 -1.93 0.00 0.00 57.85 53.58 3d6o n ARG 33 Cb 0.22 -1.51 0.05 0.00 -1.16 0.00 0.00 32.46 30.06 3d6o n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3d6o n ASN 34 N 1.13 -5.84 -0.99 0.55 3.02 -0.51 -4.85 115.26 107.77 3d6o n ASN 34 Ca 0.20 -0.36 0.09 0.00 -0.03 0.00 0.00 54.58 54.48 3d6o n ASN 34 Cb 0.54 -4.58 0.22 0.00 -0.61 0.00 0.00 39.78 35.35 3d6o n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3d6o n LEU 35 N -4.08 3.36 -0.44 3.41 4.77 0.13 -4.17 117.00 119.99 3d6o n LEU 35 Ca -0.05 -1.88 0.05 0.00 -0.03 0.00 0.00 56.01 54.10 3d6o n LEU 35 Cb 0.59 -0.33 0.08 0.00 -2.33 0.00 0.00 43.42 41.43 3d6o n LEU 35 CO 0.50 0.82 0.37 0.35 -1.33 0.00 0.00 177.39 178.10 3d6o n THR 36 N 1.11 1.04 0.03 -5.08 -2.24 -1.17 -1.91 114.28 106.06 3d6o n THR 36 Ca 0.18 -1.43 -0.13 0.00 -2.27 0.00 0.00 64.05 60.40 3d6o n THR 36 Cb 0.52 0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.82 3d6o n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3d6o h LYS 37 N 0.23 -0.10 0.00 -0.78 3.11 -1.89 -3.39 116.57 113.75 3d6o h LYS 37 Ca -0.02 0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.74 3d6o h LYS 37 Cb 1.24 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.48 3d6o h LYS 37 CO 0.01 0.29 -1.37 -0.25 -2.81 0.00 0.00 179.45 175.32 3d6o n ASP 38 N -4.95 3.61 -3.93 4.20 8.00 -1.26 -5.05 116.55 117.17 3d6o n ASP 38 Ca -0.08 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.32 3d6o n ASP 38 Cb 0.23 0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 42.01 3d6o n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d6o s ARG 39 N -2.19 1.26 -0.40 -1.24 1.04 -1.26 -5.06 118.95 111.11 3d6o s ARG 39 Ca -0.03 -1.14 -0.28 0.00 -1.04 0.00 0.00 55.73 53.24 3d6o s ARG 39 Cb 0.02 0.42 0.02 0.00 -2.04 0.00 0.00 34.95 33.37 3d6o s ARG 39 CO 0.23 -0.49 1.04 0.00 -0.04 0.00 0.00 175.30 176.05 3d6o s LYS 41 N 3.88 3.97 0.21 0.00 2.20 -0.80 -4.89 119.74 124.32 3d6o s LYS 41 Ca 0.44 2.27 -0.05 0.00 -0.36 0.00 0.00 55.97 58.27 3d6o s LYS 41 Cb -0.10 -4.12 0.19 0.00 -1.51 0.00 0.00 37.83 32.28 3d6o s LYS 41 CO 0.23 -1.12 1.64 -1.35 -0.36 0.00 0.00 175.35 174.39 3d6o h PRO 42 N 10.89 0.82 -3.74 4.03 0.11 -1.94 -3.44 132.00 138.72 3d6o h PRO 42 Ca -0.43 -0.31 -0.35 0.00 0.11 0.00 0.00 66.00 65.02 3d6o h PRO 42 Cb 1.21 -0.05 -0.34 0.00 0.11 0.00 0.00 31.00 31.93 3d6o h PRO 42 CO 0.96 0.93 -0.75 0.08 -0.21 0.00 0.00 178.00 179.01 3d6o s VAL 43 N -4.70 0.20 -0.24 3.15 1.01 -1.26 -0.28 120.40 118.28 3d6o s VAL 43 Ca -0.10 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 3d6o s VAL 43 Cb 0.13 -0.30 0.07 0.00 0.00 0.00 0.00 36.38 36.29 3d6o s VAL 43 CO 0.84 0.15 0.59 0.21 0.00 0.00 0.00 175.10 176.89 3d6o s ASN 44 N 1.02 -0.76 -0.16 3.32 2.47 -0.08 -5.02 114.94 115.73 3d6o s ASN 44 Ca -0.10 1.28 -0.06 0.00 0.42 0.00 0.00 52.86 54.40 3d6o s ASN 44 Cb -0.14 1.18 -0.04 0.00 -1.45 0.00 0.00 41.25 40.81 3d6o s ASN 44 CO -0.02 -0.22 0.03 -0.89 -3.72 0.00 0.00 177.10 172.28 3d6o s THR 45 N 1.33 4.49 -0.10 -5.21 2.01 -1.26 -0.85 115.64 116.05 3d6o s THR 45 Ca -0.08 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 3d6o s THR 45 Cb -0.06 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 3d6o s THR 45 CO -0.14 0.49 0.04 -0.36 -0.69 0.00 0.00 174.62 173.96 3d6o s PHE 46 N 0.20 3.28 -0.18 4.92 0.08 -0.06 -4.39 117.98 121.83 3d6o s PHE 46 Ca 0.02 0.28 -0.04 0.00 0.12 0.00 0.00 56.93 57.30 3d6o s PHE 46 Cb -0.13 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 3d6o s PHE 46 CO 0.01 0.53 -0.02 0.08 -0.10 0.00 0.00 175.22 175.72 3d6o s VAL 47 N -0.87 3.93 -0.76 -0.44 1.01 0.14 -0.52 120.40 122.89 3d6o s VAL 47 Ca 0.13 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3d6o s VAL 47 Cb -0.12 -2.75 0.34 0.00 0.00 0.00 0.00 36.38 33.86 3d6o s VAL 47 CO 0.03 0.47 1.36 1.41 0.00 0.00 0.00 175.10 178.36 3d6o n HIS 48 N 3.84 3.47 -4.37 5.22 -0.00 0.76 -1.64 115.22 122.50 3d6o n HIS 48 Ca -0.17 -3.30 -0.19 0.00 -0.00 0.00 0.00 57.72 54.06 3d6o n HIS 48 Cb 0.52 -0.77 -0.10 0.00 -0.00 0.00 0.00 29.99 29.64 3d6o n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3d6o s GLU 49 N -3.85 1.48 0.66 -0.41 0.41 -1.26 -4.47 118.70 111.26 3d6o s GLU 49 Ca 0.45 -1.79 -0.17 0.00 -0.41 0.00 0.00 54.97 53.05 3d6o s GLU 49 Cb 0.26 -0.60 -0.00 0.00 -1.78 0.00 0.00 34.13 32.01 3d6o s GLU 49 CO -0.15 -0.19 1.25 -1.54 -0.49 0.00 0.00 175.26 174.13 3d6o s SER 50 N -3.38 4.61 0.23 -0.19 1.04 -1.26 -4.40 113.70 110.35 3d6o s SER 50 Ca 0.34 2.49 -0.07 0.00 0.48 0.00 0.00 55.95 59.19 3d6o s SER 50 Cb 0.07 -2.60 0.33 0.00 0.10 0.00 0.00 66.02 63.92 3d6o s SER 50 CO 0.13 -1.99 1.80 0.25 0.98 0.00 0.00 173.24 174.41 3d6o h LEU 51 N 0.37 0.59 -0.59 2.42 5.85 -1.96 -1.67 115.31 120.31 3d6o h LEU 51 Ca -0.50 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.36 3d6o h LEU 51 Cb 1.31 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 3d6o h LEU 51 CO 0.52 0.35 0.20 0.00 -0.34 0.00 0.00 178.44 179.17 3d6o h ALA 52 N 1.41 0.74 -0.47 1.25 0.00 -1.99 0.97 119.26 121.17 3d6o h ALA 52 Ca 0.35 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 3d6o h ALA 52 Cb 0.29 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3d6o h ALA 52 CO -0.23 -0.22 -0.02 -0.44 0.00 0.00 0.00 179.25 178.34 3d6o h ASP 53 N 0.36 0.77 -0.18 0.00 5.19 -1.76 -1.15 116.42 119.65 3d6o h ASP 53 Ca 0.30 -0.19 -0.13 0.00 -0.62 0.00 0.00 57.03 56.38 3d6o h ASP 53 Cb 0.38 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3d6o h ASP 53 CO -0.32 0.84 -0.41 0.58 -3.12 0.00 0.00 179.24 176.81 3d6o h VAL 54 N 0.74 1.33 -0.22 -1.35 2.07 -0.78 -3.03 116.25 115.01 3d6o h VAL 54 Ca 0.14 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 65.98 3d6o h VAL 54 Cb 0.48 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 3d6o h VAL 54 CO 0.02 0.51 0.01 1.56 0.02 0.00 0.00 177.57 179.70 3d6o h GLN 55 N 0.27 0.32 0.00 1.57 4.20 -0.67 -1.56 115.11 119.23 3d6o h GLN 55 Ca -0.00 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3d6o h GLN 55 Cb 1.02 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 3d6o h GLN 55 CO 0.09 0.33 -0.01 0.00 -0.67 0.00 0.00 178.83 178.57 3d6o h ALA 56 N 1.71 1.04 -0.20 3.87 0.00 -1.09 -2.37 119.26 122.22 3d6o h ALA 56 Ca 0.07 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3d6o h ALA 56 Cb 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3d6o h ALA 56 CO 0.00 0.02 0.18 0.28 0.00 0.00 0.00 179.25 179.72 3d6o h VAL 57 N 0.00 0.67 0.00 0.00 2.07 -1.26 -1.05 116.25 116.68 3d6o h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3d6o h VAL 57 Cb 0.21 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3d6o h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3d6o n SER 59 N -1.34 3.13 0.00 0.00 7.64 -0.40 -5.00 113.62 117.65 3d6o n SER 59 Ca 0.05 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.34 3d6o n SER 59 Cb 0.10 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 3d6o n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d6o n GLN 60 N -0.33 0.04 -2.79 1.43 6.02 -0.26 -5.01 117.38 116.47 3d6o n GLN 60 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 3d6o n GLN 60 Cb 0.63 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.85 3d6o n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3d6o s LYS 61 N 4.01 3.59 0.06 -1.09 2.20 -0.91 -4.89 119.74 122.72 3d6o s LYS 61 Ca 0.00 0.26 -0.31 0.00 -0.36 0.00 0.00 55.97 55.56 3d6o s LYS 61 Cb 0.00 -3.91 -0.07 0.00 -1.51 0.00 0.00 37.83 32.34 3d6o s LYS 61 CO 0.00 -1.21 1.40 1.21 -0.36 0.00 0.00 175.35 176.39 3d6o s ASN 62 N 2.24 6.84 0.05 1.43 3.04 -1.26 -0.04 114.94 127.24 3d6o s ASN 62 Ca 0.38 2.23 -0.02 0.00 0.04 0.00 0.00 52.86 55.49 3d6o s ASN 62 Cb -0.10 -2.57 -0.03 0.00 -1.54 0.00 0.00 41.25 37.00 3d6o s ASN 62 CO 0.26 -0.68 0.01 0.68 -3.04 0.00 0.00 177.10 174.33 3d6o s VAL 63 N 1.69 0.20 0.53 -5.21 -7.23 -0.11 -4.91 120.40 105.37 3d6o s VAL 63 Ca 0.64 -1.64 -0.20 0.00 -1.81 0.00 0.00 61.98 58.97 3d6o s VAL 63 Cb -0.34 -1.42 -0.06 0.00 0.56 0.00 0.00 36.38 35.13 3d6o s VAL 63 CO 0.29 -0.91 1.18 0.00 -0.31 0.00 0.00 175.10 175.35 3d6o s ALA 64 N -3.76 2.74 0.55 1.32 0.00 -1.26 -2.88 121.76 118.47 3d6o s ALA 64 Ca 0.05 0.95 -0.07 0.00 0.00 0.00 0.00 51.96 52.90 3d6o s ALA 64 Cb 0.06 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3d6o s ALA 64 CO -0.10 -0.91 0.88 0.00 0.00 0.00 0.00 175.76 175.64 3d6o h LYS 66 N -0.03 0.29 -0.03 0.00 1.57 -1.92 -1.38 116.57 115.07 3d6o h LYS 66 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3d6o h LYS 66 Cb 1.21 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3d6o h LYS 66 CO 0.62 0.19 0.00 0.27 -0.57 0.00 0.00 179.45 179.96 3d6o n ASN 67 N -4.45 0.71 0.00 0.86 0.23 -1.26 -4.90 115.26 106.44 3d6o n ASN 67 Ca 0.10 -1.33 0.00 0.00 -0.53 0.00 0.00 54.58 52.82 3d6o n ASN 67 Cb 0.45 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 3d6o n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3d6o n GLY 68 N 1.04 0.97 3.76 4.83 0.00 -0.52 -5.06 105.19 110.20 3d6o n GLY 68 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3d6o n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d6o s GLN 69 N -0.66 2.27 -0.11 1.61 -0.21 -1.26 -4.76 119.66 116.54 3d6o s GLN 69 Ca 0.00 1.28 0.15 0.00 0.02 0.00 0.00 55.36 56.81 3d6o s GLN 69 Cb 0.00 -1.89 0.48 0.00 1.00 0.00 0.00 33.01 32.60 3d6o s GLN 69 CO 0.00 -1.65 1.40 0.25 -2.12 0.00 0.00 175.29 173.17 3d6o n THR 70 N -3.29 1.80 -1.30 -0.19 -2.24 -1.26 -0.68 114.28 107.11 3d6o n THR 70 Ca 0.10 -1.47 -0.16 0.00 -2.27 0.00 0.00 64.05 60.25 3d6o n THR 70 Cb 0.53 0.06 0.19 0.00 -2.10 0.00 0.00 70.33 69.01 3d6o n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3d6o n ASN 71 N 0.09 3.34 -4.91 3.42 6.94 -1.26 -4.75 115.26 118.12 3d6o n ASN 71 Ca 0.19 -3.65 -0.30 0.00 -0.02 0.00 0.00 54.58 50.80 3d6o n ASN 71 Cb 0.74 -0.76 -0.04 0.00 -2.36 0.00 0.00 39.78 37.36 3d6o n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3d6o s TYR 73 N -1.76 0.29 -0.15 0.00 1.51 0.51 -0.93 117.35 116.82 3d6o s TYR 73 Ca 0.40 -0.01 -0.11 0.00 -1.01 0.00 0.00 57.07 56.34 3d6o s TYR 73 Cb -0.12 -0.35 -0.05 0.00 -0.11 0.00 0.00 41.96 41.34 3d6o s TYR 73 CO 0.27 -0.10 0.20 -1.14 -1.11 0.00 0.00 175.55 173.67 3d6o s GLN 74 N 0.78 3.99 0.30 -0.62 0.74 0.95 -1.38 119.66 124.41 3d6o s GLN 74 Ca -0.08 -0.06 -0.29 0.00 0.05 0.00 0.00 55.36 54.98 3d6o s GLN 74 Cb -0.11 -3.34 -0.10 0.00 1.10 0.00 0.00 33.01 30.55 3d6o s GLN 74 CO -0.01 0.44 1.45 -1.54 -0.55 0.00 0.00 175.29 175.08 3d6o s SER 75 N -0.10 6.57 0.24 6.67 1.04 -0.04 -2.13 113.70 125.95 3d6o s SER 75 Ca 0.14 2.79 -0.03 0.00 0.48 0.00 0.00 55.95 59.33 3d6o s SER 75 Cb -0.12 -2.64 0.26 0.00 0.10 0.00 0.00 66.02 63.62 3d6o s SER 75 CO 0.02 -0.74 1.70 1.88 0.98 0.00 0.00 173.24 177.09 3d6o h TYR 76 N 4.28 0.87 -2.63 5.02 0.05 -1.94 -3.43 116.97 119.19 3d6o h TYR 76 Ca -0.48 -0.15 -0.52 0.00 0.05 0.00 0.00 58.73 57.63 3d6o h TYR 76 Cb 1.22 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.72 3d6o h TYR 76 CO 0.58 0.85 -0.37 -1.12 -1.05 0.00 0.00 178.16 177.04 3d6o s SER 77 N -6.69 6.35 0.59 3.88 0.01 -1.26 -5.04 113.70 111.54 3d6o s SER 77 Ca -0.09 0.27 -0.17 0.00 1.31 0.00 0.00 55.95 57.27 3d6o s SER 77 Cb 0.14 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 3d6o s SER 77 CO 0.82 -0.05 1.08 0.42 0.41 0.00 0.00 173.24 175.92 3d6o s THR 78 N -1.90 3.55 0.07 1.44 -4.23 -1.26 -4.43 115.64 108.87 3d6o s THR 78 Ca 0.37 0.80 0.05 0.00 -1.18 0.00 0.00 61.69 61.72 3d6o s THR 78 Cb -0.10 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 3d6o s THR 78 CO 0.30 -0.37 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.82 3d6o s MET 79 N -3.83 0.83 -0.14 3.99 -1.94 0.51 -4.85 119.30 113.87 3d6o s MET 79 Ca 0.66 -0.92 -0.29 0.00 -1.71 0.00 0.00 55.69 53.43 3d6o s MET 79 Cb -0.19 -0.84 -0.03 0.00 2.01 0.00 0.00 34.83 35.78 3d6o s MET 79 CO 0.34 0.19 1.49 0.45 -0.01 0.00 0.00 175.02 177.48 3d6o s SER 80 N -1.64 6.71 0.22 3.03 0.15 -1.26 -1.58 113.70 119.33 3d6o s SER 80 Ca -0.02 1.87 0.03 0.00 0.70 0.00 0.00 55.95 58.54 3d6o s SER 80 Cb -0.10 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 3d6o s SER 80 CO 0.02 -0.94 0.01 0.27 1.20 0.00 0.00 173.24 173.80 3d6o s ILE 81 N 4.10 0.88 -0.09 6.45 -4.36 -0.28 -0.17 121.20 127.74 3d6o s ILE 81 Ca 0.66 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 59.04 3d6o s ILE 81 Cb -0.27 -2.34 0.02 0.00 1.25 0.00 0.00 42.46 41.12 3d6o s ILE 81 CO 0.24 -0.31 -0.11 -0.89 0.24 0.00 0.00 174.94 174.11 3d6o s THR 82 N -3.52 1.14 -0.19 8.37 2.01 0.33 -1.14 115.64 122.64 3d6o s THR 82 Ca 0.29 -0.43 -0.18 0.00 0.31 0.00 0.00 61.69 61.67 3d6o s THR 82 Cb 0.06 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 3d6o s THR 82 CO 0.08 0.37 0.50 -1.81 -0.69 0.00 0.00 174.62 173.07 3d6o s ASP 83 N 1.07 6.55 -0.24 3.53 1.01 0.11 -0.88 116.67 127.83 3d6o s ASP 83 Ca -0.07 0.66 -0.06 0.00 0.71 0.00 0.00 52.55 53.80 3d6o s ASP 83 Cb -0.14 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.48 3d6o s ASP 83 CO -0.01 -0.15 0.03 0.00 0.21 0.00 0.00 175.17 175.24 3d6o s ARG 85 N 1.56 1.43 0.38 0.00 3.52 -1.07 -0.90 118.95 123.87 3d6o s ARG 85 Ca 0.06 -0.32 -0.27 0.00 -0.13 0.00 0.00 55.73 55.07 3d6o s ARG 85 Cb -0.15 -1.23 -0.11 0.00 -1.56 0.00 0.00 34.95 31.90 3d6o s ARG 85 CO 0.01 -0.01 1.32 -1.91 -0.81 0.00 0.00 175.30 173.90 3d6o n GLU 86 N 3.88 2.13 -1.55 5.12 2.13 0.61 -1.08 120.64 131.89 3d6o n GLU 86 Ca -0.24 0.75 -0.30 0.00 0.66 0.00 0.00 57.16 58.03 3d6o n GLU 86 Cb 0.51 -2.41 0.08 0.00 0.27 0.00 0.00 31.44 29.89 3d6o n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3d6o s THR 87 N -1.14 3.39 0.35 6.31 -4.23 -0.67 -4.78 115.64 114.86 3d6o s THR 87 Ca 0.57 0.45 0.37 0.00 -1.18 0.00 0.00 61.69 61.91 3d6o s THR 87 Cb -0.53 -3.19 0.40 0.00 1.34 0.00 0.00 72.50 70.53 3d6o s THR 87 CO 0.61 -0.59 2.15 1.23 -0.54 0.00 0.00 174.62 177.47 3d6o h GLY 88 N -0.97 0.00 0.00 3.99 0.00 -1.93 -2.94 103.07 101.22 3d6o h GLY 88 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3d6o h GLY 88 CO 0.58 0.00 -1.02 -1.14 0.00 0.00 0.00 176.54 174.96 3d6o n SER 89 N -3.14 0.97 -4.74 0.19 3.41 -1.26 -5.00 113.62 104.05 3d6o n SER 89 Ca -0.01 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.21 3d6o n SER 89 Cb 0.21 1.03 -0.02 0.00 -0.26 0.00 0.00 64.21 65.17 3d6o n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3d6o n SER 90 N -1.52 3.69 -3.57 4.04 2.88 -1.11 -5.01 113.62 113.02 3d6o n SER 90 Ca 0.04 1.15 -0.18 0.00 -1.33 0.00 0.00 58.87 58.54 3d6o n SER 90 Cb 0.33 -1.57 -0.14 0.00 -0.75 0.00 0.00 64.21 62.08 3d6o n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3d6o s LYS 91 N -0.56 0.12 0.21 -1.46 2.20 -1.17 -4.94 119.74 114.14 3d6o s LYS 91 Ca 0.64 0.33 -0.31 0.00 -0.36 0.00 0.00 55.97 56.27 3d6o s LYS 91 Cb -0.52 -0.89 -0.15 0.00 -1.51 0.00 0.00 37.83 34.76 3d6o s LYS 91 CO 0.49 -0.52 1.12 0.98 -0.36 0.00 0.00 175.35 177.07 3d6o n TYR 92 N 5.32 1.33 1.54 4.03 9.36 -1.26 -0.48 117.16 136.99 3d6o n TYR 92 Ca -0.05 0.67 0.15 0.00 3.32 0.00 0.00 57.90 61.98 3d6o n TYR 92 Cb 0.50 -2.28 0.70 0.00 -0.63 0.00 0.00 39.34 37.63 3d6o n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3d6o n PRO 93 N 1.46 0.78 -3.08 2.98 -0.04 -1.26 -4.98 135.00 130.86 3d6o n PRO 93 Ca 0.13 -0.20 -0.44 0.00 -0.04 0.00 0.00 63.50 62.95 3d6o n PRO 93 Cb 0.27 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3d6o n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3d6o n ASN 94 N -0.94 5.44 -4.71 3.54 3.02 0.37 -5.01 115.26 116.96 3d6o n ASN 94 Ca 0.17 -3.05 -0.42 0.00 -0.03 0.00 0.00 54.58 51.25 3d6o n ASN 94 Cb 0.24 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 37.92 3d6o n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d6o s ALA 96 N 1.15 1.25 0.04 0.00 0.00 -1.26 -4.95 121.76 117.98 3d6o s ALA 96 Ca 0.54 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.90 3d6o s ALA 96 Cb -0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 3d6o s ALA 96 CO 0.28 0.30 -0.12 0.71 0.00 0.00 0.00 175.76 176.93 3d6o s TYR 97 N -0.34 1.01 -0.07 0.00 2.02 -1.26 -1.68 117.35 117.03 3d6o s TYR 97 Ca 0.06 -0.39 -0.17 0.00 -0.37 0.00 0.00 57.07 56.20 3d6o s TYR 97 Cb -0.06 -0.60 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 3d6o s TYR 97 CO -0.01 0.01 0.47 0.15 -1.57 0.00 0.00 175.55 174.60 3d6o s LYS 98 N -1.28 4.22 -0.22 -0.62 -0.14 -0.24 -4.68 119.74 116.78 3d6o s LYS 98 Ca -0.02 0.47 -0.13 0.00 -1.36 0.00 0.00 55.97 54.92 3d6o s LYS 98 Cb -0.08 -3.36 -0.04 0.00 -1.68 0.00 0.00 37.83 32.66 3d6o s LYS 98 CO 0.01 0.35 0.27 0.99 -0.76 0.00 0.00 175.35 176.21 3d6o s THR 99 N 0.00 5.29 -0.14 2.17 2.01 -1.26 -2.60 115.64 121.11 3d6o s THR 99 Ca 0.26 0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.68 3d6o s THR 99 Cb -0.16 -3.61 0.04 0.00 0.01 0.00 0.00 72.50 68.78 3d6o s THR 99 CO 0.12 0.31 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.41 3d6o s THR 100 N 1.10 1.06 0.26 -0.82 2.01 -0.45 -4.99 115.64 113.81 3d6o s THR 100 Ca 0.13 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 3d6o s THR 100 Cb -0.14 -1.18 -0.09 0.00 0.01 0.00 0.00 72.50 71.10 3d6o s THR 100 CO 0.06 0.22 1.10 -1.10 -0.69 0.00 0.00 174.62 174.21 3d6o s GLN 101 N 1.67 4.63 0.17 4.92 -0.21 -1.26 -0.71 119.66 128.87 3d6o s GLN 101 Ca 0.02 1.80 -0.10 0.00 0.02 0.00 0.00 55.36 57.11 3d6o s GLN 101 Cb -0.14 -3.20 -0.01 0.00 1.00 0.00 0.00 33.01 30.66 3d6o s GLN 101 CO -0.08 0.18 0.31 0.00 -2.12 0.00 0.00 175.29 173.59 3d6o s ALA 102 N -1.02 -0.07 -0.27 6.09 0.00 -0.29 -4.94 121.76 121.27 3d6o s ALA 102 Ca 0.45 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 3d6o s ALA 102 Cb -0.32 0.89 0.09 0.00 0.00 0.00 0.00 23.12 23.77 3d6o s ALA 102 CO 0.40 -0.67 0.07 1.21 0.00 0.00 0.00 175.76 176.77 3d6o s ASN 103 N -2.97 3.70 0.13 0.00 3.84 -1.26 -1.13 114.94 117.25 3d6o s ASN 103 Ca 0.17 -1.36 -0.09 0.00 0.21 0.00 0.00 52.86 51.79 3d6o s ASN 103 Cb 0.03 -0.80 -0.00 0.00 -0.55 0.00 0.00 41.25 39.92 3d6o s ASN 103 CO 0.01 -0.37 0.25 -0.54 -2.79 0.00 0.00 177.10 173.65 3d6o s LYS 104 N 1.68 1.01 0.25 0.43 1.02 -0.62 -4.78 119.74 118.73 3d6o s LYS 104 Ca 0.05 -1.05 -0.30 0.00 0.02 0.00 0.00 55.97 54.70 3d6o s LYS 104 Cb -0.17 0.37 -0.09 0.00 -0.52 0.00 0.00 37.83 37.41 3d6o s LYS 104 CO -0.19 -0.35 1.16 -1.01 -0.92 0.00 0.00 175.35 174.04 3d6o s HIS 105 N -3.91 3.46 0.06 3.18 3.76 0.29 -0.36 115.29 121.77 3d6o s HIS 105 Ca 0.11 1.56 0.01 0.00 -0.15 0.00 0.00 55.06 56.58 3d6o s HIS 105 Cb 0.04 -3.39 -0.04 0.00 1.11 0.00 0.00 32.58 30.30 3d6o s HIS 105 CO -0.06 -0.96 0.18 0.96 -0.85 0.00 0.00 174.74 174.02 3d6o s ILE 106 N -0.70 5.22 -0.14 0.60 -4.36 -1.26 -0.42 121.20 120.14 3d6o s ILE 106 Ca 0.48 -0.46 0.02 0.00 -0.26 0.00 0.00 60.65 60.43 3d6o s ILE 106 Cb -0.33 -3.54 0.01 0.00 1.25 0.00 0.00 42.46 39.85 3d6o s ILE 106 CO 0.41 0.14 -0.19 -0.63 0.24 0.00 0.00 174.94 174.90 3d6o s ILE 107 N -1.48 1.90 0.10 8.37 1.01 0.64 -0.86 121.20 130.88 3d6o s ILE 107 Ca 0.34 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 60.17 3d6o s ILE 107 Cb -0.13 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3d6o s ILE 107 CO 0.27 0.52 -0.14 0.68 0.00 0.00 0.00 174.94 176.27 3d6o s VAL 108 N 1.03 1.22 -0.01 2.92 -7.23 -0.48 -0.23 120.40 117.63 3d6o s VAL 108 Ca -0.03 -1.56 -0.19 0.00 -1.81 0.00 0.00 61.98 58.39 3d6o s VAL 108 Cb -0.15 -1.36 -0.06 0.00 0.56 0.00 0.00 36.38 35.38 3d6o s VAL 108 CO -0.05 -0.36 0.53 0.00 -0.31 0.00 0.00 175.10 174.92 3d6o s ALA 109 N -1.85 3.55 0.01 1.32 0.00 -0.16 -0.36 121.76 124.27 3d6o s ALA 109 Ca 0.05 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.02 3d6o s ALA 109 Cb -0.07 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 3d6o s ALA 109 CO 0.02 0.25 -0.20 0.00 0.00 0.00 0.00 175.76 175.83 3d6o s GLU 111 N -1.12 1.15 0.07 0.00 2.12 -0.65 -4.90 118.70 115.38 3d6o s GLU 111 Ca 0.13 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.34 3d6o s GLU 111 Cb -0.10 0.53 0.00 0.00 0.26 0.00 0.00 34.13 34.82 3d6o s GLU 111 CO 0.03 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 3d6o n GLY 112 N 0.24 -3.29 2.79 -1.50 0.00 -1.26 -2.56 105.19 99.61 3d6o n GLY 112 Ca -0.17 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 3d6o n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d6o s ASN 113 N -1.43 3.66 0.74 1.61 3.04 -1.26 -1.90 114.94 119.40 3d6o s ASN 113 Ca 0.00 -1.30 -0.14 0.00 0.04 0.00 0.00 52.86 51.47 3d6o s ASN 113 Cb 0.00 -0.88 0.05 0.00 -1.54 0.00 0.00 41.25 38.88 3d6o s ASN 113 CO 0.00 -0.34 1.16 -2.16 -3.04 0.00 0.00 177.10 172.72 3d6o s PRO 114 N 1.62 2.16 -0.73 0.43 0.04 -1.26 -5.09 135.00 132.17 3d6o s PRO 114 Ca 0.03 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 62.39 3d6o s PRO 114 Cb -0.18 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.56 3d6o s PRO 114 CO -0.15 -1.78 1.14 -0.47 0.04 0.00 0.00 177.00 175.78 3d6o s TYR 115 N -2.28 2.50 0.19 0.56 5.04 -0.80 -4.86 117.35 117.70 3d6o s TYR 115 Ca 0.70 -0.37 0.02 0.00 -2.44 0.00 0.00 57.07 54.98 3d6o s TYR 115 Cb -0.24 -4.47 -0.05 0.00 0.35 0.00 0.00 41.96 37.55 3d6o s TYR 115 CO 0.47 -1.86 0.00 0.14 -1.34 0.00 0.00 175.55 172.97 3d6o s VAL 116 N 4.83 0.74 0.31 3.14 -7.23 -1.06 -4.83 120.40 116.30 3d6o s VAL 116 Ca 0.30 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 3d6o s VAL 116 Cb -0.11 -2.19 -0.10 0.00 0.56 0.00 0.00 36.38 34.54 3d6o s VAL 116 CO 0.10 -0.42 1.40 -2.84 -0.31 0.00 0.00 175.10 173.03 3d6o s PRO 117 N -3.91 4.27 0.00 4.82 0.02 -1.26 -1.63 135.00 137.30 3d6o s PRO 117 Ca 0.25 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3d6o s PRO 117 Cb 0.06 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.52 3d6o s PRO 117 CO 0.05 -0.36 0.19 1.33 -0.33 0.00 0.00 177.00 177.88 3d6o n VAL 118 N 1.36 0.00 -3.64 3.83 0.24 0.76 -4.42 118.33 116.45 3d6o n VAL 118 Ca 0.03 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 61.93 3d6o n VAL 118 Cb 0.40 1.30 -0.07 0.00 -1.47 0.00 0.00 33.84 34.00 3d6o n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3d6o s HIS 119 N -0.18 -0.83 -0.34 6.34 5.65 -1.20 -4.67 115.29 120.06 3d6o s HIS 119 Ca 0.00 1.89 -0.17 0.00 0.25 0.00 0.00 55.06 57.03 3d6o s HIS 119 Cb 0.00 0.36 -0.01 0.00 -1.18 0.00 0.00 32.58 31.75 3d6o s HIS 119 CO 0.00 -0.40 0.44 0.12 -0.65 0.00 0.00 174.74 174.24 3d6o s PHE 120 N 0.74 3.20 -0.15 3.88 2.19 -1.26 -0.99 117.98 125.59 3d6o s PHE 120 Ca -0.03 0.09 -0.17 0.00 0.33 0.00 0.00 56.93 57.16 3d6o s PHE 120 Cb -0.05 -2.79 -0.24 0.00 -1.31 0.00 0.00 43.02 38.63 3d6o s PHE 120 CO -0.05 -0.48 0.41 0.22 1.83 0.00 0.00 175.22 177.15 3d6o h ASP 121 N 8.45 0.23 -4.99 6.13 3.58 -0.95 -3.49 116.42 125.38 3d6o h ASP 121 Ca -0.29 -0.76 0.29 0.00 0.42 0.00 0.00 57.03 56.69 3d6o h ASP 121 Cb 1.13 -0.08 -0.15 0.00 1.72 0.00 0.00 39.33 41.95 3d6o h ASP 121 CO 0.73 1.59 0.81 0.00 -2.88 0.00 0.00 179.24 179.50 3d6o s ALA 122 N -2.44 -2.14 0.03 -0.78 0.00 -1.07 -4.95 121.76 110.41 3d6o s ALA 122 Ca -0.23 1.14 0.07 0.00 0.00 0.00 0.00 51.96 52.94 3d6o s ALA 122 Cb 0.05 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 3d6o s ALA 122 CO 0.70 -0.82 -0.19 -1.54 0.00 0.00 0.00 175.76 173.91 3d6o s SER 123 N -2.57 3.71 0.00 0.00 1.04 -1.26 -0.26 113.70 114.36 3d6o s SER 123 Ca 0.12 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3d6o s SER 123 Cb 0.02 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.55 3d6o s SER 123 CO -0.04 0.27 0.17 1.33 0.98 0.00 0.00 173.24 175.94