#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d6q s GLU 2 N 0.00 4.22 0.68 1.97 2.12 -1.26 -4.99 118.70 121.44 3d6q s GLU 2 Ca 0.00 2.33 -0.13 0.00 0.36 0.00 0.00 54.97 57.53 3d6q s GLU 2 Cb 0.00 -3.18 0.01 0.00 0.26 0.00 0.00 34.13 31.22 3d6q s GLU 2 CO 0.00 -0.60 1.08 0.95 -0.54 0.00 0.00 175.26 176.15 3d6q s THR 3 N 1.19 3.63 0.22 -1.70 -4.23 -1.26 -4.85 115.64 108.64 3d6q s THR 3 Ca 0.70 0.64 -0.09 0.00 -1.18 0.00 0.00 61.69 61.76 3d6q s THR 3 Cb -0.43 -3.22 0.17 0.00 1.34 0.00 0.00 72.50 70.36 3d6q s THR 3 CO 0.31 -0.58 1.86 0.00 -0.54 0.00 0.00 174.62 175.67 3d6q h ALA 4 N -0.33 0.99 -0.86 3.99 0.00 -1.94 0.33 119.26 121.43 3d6q h ALA 4 Ca -0.45 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.44 3d6q h ALA 4 Cb 1.23 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3d6q h ALA 4 CO 0.55 0.30 0.57 0.00 0.00 0.00 0.00 179.25 180.66 3d6q h ALA 5 N 1.31 1.10 -0.36 0.00 0.00 -1.87 -0.50 119.26 118.95 3d6q h ALA 5 Ca 0.30 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 3d6q h ALA 5 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3d6q h ALA 5 CO -0.10 0.47 -0.40 0.00 0.00 0.00 0.00 179.25 179.21 3d6q h ALA 6 N 1.33 0.61 -0.88 0.00 0.00 -1.77 -2.06 119.26 116.48 3d6q h ALA 6 Ca 0.32 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3d6q h ALA 6 Cb -0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3d6q h ALA 6 CO -0.08 0.68 0.50 -0.22 0.00 0.00 0.00 179.25 180.12 3d6q h LYS 7 N 0.72 1.22 -0.80 0.00 3.64 -0.65 -0.73 116.57 119.98 3d6q h LYS 7 Ca 0.06 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3d6q h LYS 7 Cb 0.99 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 3d6q h LYS 7 CO 0.10 0.89 0.47 0.35 -2.27 0.00 0.00 179.45 178.98 3d6q h PHE 8 N 1.23 1.06 -0.56 1.91 3.57 -0.81 0.16 116.94 123.49 3d6q h PHE 8 Ca 0.31 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.69 3d6q h PHE 8 Cb 0.01 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 3d6q h PHE 8 CO 0.01 0.71 -0.08 0.93 -2.23 0.00 0.00 178.31 177.65 3d6q h GLU 9 N 1.09 1.04 -0.45 1.11 5.08 -0.89 0.37 114.58 121.95 3d6q h GLU 9 Ca 0.28 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3d6q h GLU 9 Cb -0.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3d6q h GLU 9 CO -0.05 1.06 0.03 -0.09 -1.00 0.00 0.00 179.01 178.96 3d6q h ARG 10 N 0.93 0.77 0.00 2.33 2.43 -0.67 -2.49 114.38 117.69 3d6q h ARG 10 Ca 0.15 -0.23 -0.20 0.00 -0.81 0.00 0.00 59.98 58.89 3d6q h ARG 10 Cb 0.64 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 3d6q h ARG 10 CO 0.04 0.82 -1.07 1.96 -1.51 0.00 0.00 179.97 180.21 3d6q h GLN 11 N 0.62 0.00 0.00 0.20 4.20 -0.87 -3.42 115.11 115.84 3d6q h GLN 11 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3d6q h GLN 11 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3d6q h GLN 11 CO 0.02 0.74 -0.01 0.72 -0.67 0.00 0.00 178.83 179.63 3d6q n HIS 12 N -3.23 0.00 -3.85 2.96 8.25 0.11 -4.66 115.22 114.81 3d6q n HIS 12 Ca -0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.06 3d6q n HIS 12 Cb 0.91 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.91 3d6q n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3d6q s MET 13 N -0.68 3.80 -0.41 -0.41 -1.94 -0.94 0.42 119.30 119.14 3d6q s MET 13 Ca 0.00 -0.42 0.02 0.00 -1.71 0.00 0.00 55.69 53.59 3d6q s MET 13 Cb 0.00 -3.31 0.16 0.00 2.01 0.00 0.00 34.83 33.68 3d6q s MET 13 CO 0.00 -0.02 0.29 0.34 -0.01 0.00 0.00 175.02 175.63 3d6q s ASP 14 N 1.16 2.43 0.00 3.03 2.15 -0.55 -4.85 116.67 120.04 3d6q s ASP 14 Ca 0.05 -2.77 0.16 0.00 0.43 0.00 0.00 52.55 50.42 3d6q s ASP 14 Cb -0.14 -0.57 0.82 0.00 -0.30 0.00 0.00 42.92 42.73 3d6q s ASP 14 CO 0.04 -0.22 1.55 -1.20 -0.17 0.00 0.00 175.17 175.17 3d6q n SER 15 N 3.27 0.58 0.03 -0.34 7.64 -1.26 -4.03 113.62 119.51 3d6q n SER 15 Ca 0.21 -1.61 -0.19 0.00 1.01 0.00 0.00 58.87 58.29 3d6q n SER 15 Cb 0.42 -0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.47 3d6q n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3d6q h SER 16 N 0.75 0.80 -4.17 6.43 4.64 -1.92 -3.46 113.55 116.62 3d6q h SER 16 Ca 0.00 -0.74 -0.64 0.00 -0.47 0.00 0.00 61.79 59.94 3d6q h SER 16 Cb 0.16 -0.25 -0.24 0.00 -0.31 0.00 0.00 62.40 61.77 3d6q h SER 16 CO 0.00 1.44 -0.86 -0.89 -0.87 0.00 0.00 176.83 175.65 3d6q s THR 17 N -3.29 1.98 -0.03 2.95 2.01 -1.26 -5.03 115.64 112.97 3d6q s THR 17 Ca -0.11 -1.47 0.31 0.00 0.31 0.00 0.00 61.69 60.73 3d6q s THR 17 Cb 0.06 -1.73 0.37 0.00 0.01 0.00 0.00 72.50 71.21 3d6q s THR 17 CO 0.89 0.17 1.91 0.77 -0.69 0.00 0.00 174.62 177.68 3d6q h SER 18 N 4.43 0.00 -4.96 3.53 4.64 -1.89 -3.44 113.55 115.87 3d6q h SER 18 Ca -0.47 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.96 3d6q h SER 18 Cb 1.16 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.14 3d6q h SER 18 CO 0.42 0.00 0.42 0.00 -0.87 0.00 0.00 176.83 176.80 3d6q s ALA 19 N -3.57 -1.68 0.13 5.18 0.00 -1.26 -4.84 121.76 115.72 3d6q s ALA 19 Ca 0.02 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.19 3d6q s ALA 19 Cb 0.08 0.60 -0.10 0.00 0.00 0.00 0.00 23.12 23.70 3d6q s ALA 19 CO 0.55 -0.85 1.83 0.00 0.00 0.00 0.00 175.76 177.29 3d6q s ALA 20 N -3.35 3.77 0.15 0.00 0.00 -1.26 -4.91 121.76 116.17 3d6q s ALA 20 Ca 0.07 1.46 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 3d6q s ALA 20 Cb -0.02 -3.76 0.01 0.00 0.00 0.00 0.00 23.12 19.35 3d6q s ALA 20 CO -0.05 -1.22 1.56 0.77 0.00 0.00 0.00 175.76 176.83 3d6q h SER 21 N 8.54 0.96 -3.56 0.00 0.02 -1.99 -3.48 113.55 114.04 3d6q h SER 21 Ca -0.46 -0.37 -0.19 0.00 -0.84 0.00 0.00 61.79 59.94 3d6q h SER 21 Cb 1.22 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 3d6q h SER 21 CO 0.95 1.11 0.00 -1.54 -1.14 0.00 0.00 176.83 176.21 3d6q n SER 22 N -4.20 -1.64 0.29 3.07 3.41 -1.26 -5.02 113.62 108.27 3d6q n SER 22 Ca 0.00 -2.73 0.17 0.00 -0.26 0.00 0.00 58.87 56.05 3d6q n SER 22 Cb 0.41 2.90 0.83 0.00 -0.26 0.00 0.00 64.21 68.09 3d6q n SER 22 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3d6q h SER 23 N 1.91 0.00 -0.35 4.04 4.64 -1.94 -2.86 113.55 119.00 3d6q h SER 23 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3d6q h SER 23 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3d6q h SER 23 CO 0.38 0.05 0.00 -3.20 -0.87 0.00 0.00 176.83 173.19 3d6q n ASN 24 N -3.30 2.46 -0.04 4.97 5.15 -1.26 -4.39 115.26 118.86 3d6q n ASN 24 Ca -0.01 -1.89 -0.09 0.00 -0.60 0.00 0.00 54.58 51.99 3d6q n ASN 24 Cb 0.23 -0.23 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 3d6q n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3d6q h TYR 25 N 3.00 -0.66 -0.49 1.20 3.20 -1.90 -2.36 116.97 118.96 3d6q h TYR 25 Ca 0.00 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3d6q h TYR 25 Cb 0.67 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 3d6q h TYR 25 CO 0.23 -0.33 0.10 0.00 -1.64 0.00 0.00 178.16 176.52 3d6q h ASN 27 N 0.67 -0.04 -0.20 0.00 2.35 -1.78 0.16 115.58 116.75 3d6q h ASN 27 Ca 0.15 0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 3d6q h ASN 27 Cb 0.36 0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 3d6q h ASN 27 CO 0.01 0.00 -0.17 -0.61 -1.65 0.00 0.00 177.43 175.01 3d6q h GLN 28 N 0.22 0.47 -0.31 0.81 -0.00 -1.11 -3.09 115.11 112.10 3d6q h GLN 28 Ca 0.27 -0.24 -0.18 0.00 -0.00 0.00 0.00 58.65 58.51 3d6q h GLN 28 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.87 3d6q h GLN 28 CO -0.37 0.80 -0.50 0.52 0.00 0.00 0.00 178.83 179.28 3d6q h MET 29 N 0.14 0.87 -0.28 1.69 2.86 -0.50 -1.63 114.93 118.08 3d6q h MET 29 Ca 0.03 -0.52 -0.05 0.00 -2.06 0.00 0.00 59.70 57.10 3d6q h MET 29 Cb 0.71 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 3d6q h MET 29 CO 0.04 1.16 -0.05 0.52 1.06 0.00 0.00 176.91 179.65 3d6q h MET 30 N 0.68 0.43 0.05 1.72 2.86 -0.78 -2.16 114.93 117.74 3d6q h MET 30 Ca 0.03 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3d6q h MET 30 Cb 1.10 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3d6q h MET 30 CO 0.11 0.50 -0.02 -0.22 1.06 0.00 0.00 176.91 178.34 3d6q h LYS 31 N 0.42 -0.07 0.00 1.72 3.64 -1.44 0.34 116.57 121.18 3d6q h LYS 31 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3d6q h LYS 31 Cb 0.36 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3d6q h LYS 31 CO 0.02 0.39 0.00 0.66 -2.27 0.00 0.00 179.45 178.24 3d6q h SER 32 N -0.54 0.00 -0.65 4.20 4.64 -1.11 -2.02 113.55 118.07 3d6q h SER 32 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3d6q h SER 32 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3d6q h SER 32 CO 0.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.51 3d6q n ARG 33 N -2.71 3.29 -2.43 4.77 5.12 -0.83 -4.95 116.66 118.92 3d6q n ARG 33 Ca 0.01 -2.75 -0.15 0.00 -1.93 0.00 0.00 57.85 53.03 3d6q n ARG 33 Cb 0.24 -1.73 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 3d6q n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3d6q n ASN 34 N 1.23 -4.59 -1.17 0.55 3.02 -0.76 -4.85 115.26 108.68 3d6q n ASN 34 Ca 0.24 -0.07 0.12 0.00 -0.03 0.00 0.00 54.58 54.84 3d6q n ASN 34 Cb 0.76 -3.66 0.23 0.00 -0.61 0.00 0.00 39.78 36.50 3d6q n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3d6q n LEU 35 N -2.37 3.53 -0.04 3.41 4.77 0.09 -3.85 117.00 122.55 3d6q n LEU 35 Ca -0.15 -1.58 0.03 0.00 -0.03 0.00 0.00 56.01 54.28 3d6q n LEU 35 Cb 0.62 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 3d6q n LEU 35 CO 0.24 0.78 0.49 0.35 -1.33 0.00 0.00 177.39 177.93 3d6q n THR 36 N 1.50 1.16 -2.85 -5.08 -2.24 -1.13 -1.81 114.28 103.82 3d6q n THR 36 Ca 0.20 -1.28 -0.42 0.00 -2.27 0.00 0.00 64.05 60.28 3d6q n THR 36 Cb 0.60 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.10 3d6q n THR 36 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3d6q s LYS 37 N -1.47 4.30 0.00 -0.78 2.36 -1.25 -4.21 119.74 118.69 3d6q s LYS 37 Ca 0.10 1.07 0.00 0.00 -2.55 0.00 0.00 55.97 54.60 3d6q s LYS 37 Cb 0.09 -3.58 0.00 0.00 -1.05 0.00 0.00 37.83 33.29 3d6q s LYS 37 CO 0.01 -0.36 0.00 -0.25 1.55 0.00 0.00 175.35 176.30 3d6q n ASP 38 N 5.33 0.00 -3.70 1.43 8.00 -1.26 -4.85 116.55 121.50 3d6q n ASP 38 Ca 0.05 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.45 3d6q n ASP 38 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.54 3d6q n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d6q s ARG 39 N 0.00 1.23 -0.38 -1.24 1.04 -1.26 -5.05 118.95 113.29 3d6q s ARG 39 Ca 0.00 -0.81 -0.25 0.00 -1.04 0.00 0.00 55.73 53.63 3d6q s ARG 39 Cb 0.00 0.49 0.02 0.00 -2.04 0.00 0.00 34.95 33.42 3d6q s ARG 39 CO 0.00 -0.50 0.91 0.00 -0.04 0.00 0.00 175.30 175.66 3d6q s LYS 41 N 3.45 4.15 0.17 0.00 2.20 -0.75 -4.90 119.74 124.06 3d6q s LYS 41 Ca 0.37 2.45 -0.10 0.00 -0.36 0.00 0.00 55.97 58.33 3d6q s LYS 41 Cb -0.12 -4.10 0.07 0.00 -1.51 0.00 0.00 37.83 32.17 3d6q s LYS 41 CO 0.19 -0.92 1.66 -1.35 -0.36 0.00 0.00 175.35 174.57 3d6q h PRO 42 N 10.23 1.00 -3.65 4.03 0.11 -1.95 -3.44 132.00 138.34 3d6q h PRO 42 Ca -0.46 -0.27 -0.30 0.00 0.11 0.00 0.00 66.00 65.08 3d6q h PRO 42 Cb 1.22 -0.11 -0.33 0.00 0.11 0.00 0.00 31.00 31.88 3d6q h PRO 42 CO 0.95 0.94 -0.73 0.08 -0.21 0.00 0.00 178.00 179.03 3d6q s VAL 43 N -5.18 0.04 -0.25 3.15 1.01 -1.26 -0.44 120.40 117.47 3d6q s VAL 43 Ca -0.12 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 3d6q s VAL 43 Cb 0.13 -0.14 0.07 0.00 0.00 0.00 0.00 36.38 36.44 3d6q s VAL 43 CO 0.83 0.09 0.63 0.21 0.00 0.00 0.00 175.10 176.87 3d6q s ASN 44 N 0.84 -0.79 -0.15 3.32 2.47 -0.10 -5.02 114.94 115.50 3d6q s ASN 44 Ca -0.08 1.34 -0.06 0.00 0.42 0.00 0.00 52.86 54.49 3d6q s ASN 44 Cb -0.11 1.26 -0.04 0.00 -1.45 0.00 0.00 41.25 40.92 3d6q s ASN 44 CO -0.02 -0.23 0.04 -0.89 -3.72 0.00 0.00 177.10 172.29 3d6q s THR 45 N 1.20 4.65 -0.08 -5.21 2.01 -1.26 -1.21 115.64 115.74 3d6q s THR 45 Ca -0.07 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 3d6q s THR 45 Cb -0.05 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3d6q s THR 45 CO -0.12 0.52 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.95 3d6q s PHE 46 N -0.09 3.11 -0.19 4.92 0.08 -0.31 -4.36 117.98 121.14 3d6q s PHE 46 Ca 0.06 0.15 -0.05 0.00 0.12 0.00 0.00 56.93 57.21 3d6q s PHE 46 Cb -0.12 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 3d6q s PHE 46 CO 0.01 0.43 -0.01 0.08 -0.10 0.00 0.00 175.22 175.63 3d6q s VAL 47 N -0.83 3.90 -0.95 -0.44 1.01 0.17 -0.85 120.40 122.41 3d6q s VAL 47 Ca 0.13 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 3d6q s VAL 47 Cb -0.11 -2.75 0.32 0.00 0.00 0.00 0.00 36.38 33.83 3d6q s VAL 47 CO 0.02 0.44 1.58 1.41 0.00 0.00 0.00 175.10 178.55 3d6q n HIS 48 N 4.15 2.94 -4.30 5.22 -0.00 0.12 -1.48 115.22 121.87 3d6q n HIS 48 Ca -0.17 -2.87 -0.16 0.00 -0.00 0.00 0.00 57.72 54.52 3d6q n HIS 48 Cb 0.52 -1.06 -0.10 0.00 -0.00 0.00 0.00 29.99 29.34 3d6q n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3d6q s GLU 49 N -3.87 1.33 0.64 -0.41 0.41 -1.26 -4.45 118.70 111.08 3d6q s GLU 49 Ca 0.39 -1.70 -0.18 0.00 -0.41 0.00 0.00 54.97 53.08 3d6q s GLU 49 Cb 0.18 -0.26 -0.01 0.00 -1.78 0.00 0.00 34.13 32.26 3d6q s GLU 49 CO -0.09 -0.25 1.24 -1.54 -0.49 0.00 0.00 175.26 174.13 3d6q s SER 50 N -3.27 4.82 0.27 -0.19 1.04 -1.26 -4.33 113.70 110.77 3d6q s SER 50 Ca 0.34 2.46 -0.01 0.00 0.48 0.00 0.00 55.95 59.22 3d6q s SER 50 Cb 0.07 -2.60 0.45 0.00 0.10 0.00 0.00 66.02 64.04 3d6q s SER 50 CO 0.11 -1.85 1.85 0.25 0.98 0.00 0.00 173.24 174.58 3d6q h LEU 51 N 0.56 0.94 -0.57 2.42 5.85 -1.97 -1.97 115.31 120.58 3d6q h LEU 51 Ca -0.50 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.29 3d6q h LEU 51 Cb 1.31 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 3d6q h LEU 51 CO 0.53 0.56 0.32 0.00 -0.34 0.00 0.00 178.44 179.51 3d6q h ALA 52 N 1.48 0.74 -0.64 1.25 0.00 -1.99 0.17 119.26 120.28 3d6q h ALA 52 Ca 0.45 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 3d6q h ALA 52 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3d6q h ALA 52 CO -0.22 0.00 0.13 -0.44 0.00 0.00 0.00 179.25 178.73 3d6q h ASP 53 N 0.61 0.98 -0.18 0.00 5.19 -1.80 -0.75 116.42 120.48 3d6q h ASP 53 Ca 0.25 -0.21 -0.14 0.00 -0.62 0.00 0.00 57.03 56.31 3d6q h ASP 53 Cb 0.11 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.36 3d6q h ASP 53 CO -0.14 0.95 -0.43 0.58 -3.12 0.00 0.00 179.24 177.08 3d6q h VAL 54 N 0.98 1.33 -0.37 -1.35 2.07 -0.94 -2.99 116.25 114.99 3d6q h VAL 54 Ca 0.20 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 3d6q h VAL 54 Cb 0.38 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3d6q h VAL 54 CO 0.01 0.52 0.22 1.56 0.02 0.00 0.00 177.57 179.89 3d6q h GLN 55 N 0.27 0.49 0.00 1.57 4.20 -0.52 -1.77 115.11 119.35 3d6q h GLN 55 Ca -0.00 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3d6q h GLN 55 Cb 1.04 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 3d6q h GLN 55 CO 0.09 0.34 -0.02 0.00 -0.67 0.00 0.00 178.83 178.57 3d6q h ALA 56 N 1.75 1.10 -0.13 3.87 0.00 -0.98 -2.43 119.26 122.44 3d6q h ALA 56 Ca 0.13 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3d6q h ALA 56 Cb -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3d6q h ALA 56 CO -0.03 0.03 0.11 0.28 0.00 0.00 0.00 179.25 179.64 3d6q h VAL 57 N 0.00 0.79 0.00 0.00 2.07 -1.32 -0.43 116.25 117.36 3d6q h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3d6q h VAL 57 Cb 0.17 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3d6q h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3d6q n SER 59 N -1.37 2.88 0.00 0.00 7.64 -0.17 -5.01 113.62 117.60 3d6q n SER 59 Ca 0.02 -2.50 0.00 0.00 1.01 0.00 0.00 58.87 57.40 3d6q n SER 59 Cb 0.05 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 3d6q n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d6q n GLN 60 N -0.38 0.00 -2.72 1.43 6.02 -0.12 -5.00 117.38 116.61 3d6q n GLN 60 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 3d6q n GLN 60 Cb 0.56 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.79 3d6q n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3d6q s LYS 61 N 3.94 3.50 0.09 -1.09 2.20 -1.00 -4.90 119.74 122.48 3d6q s LYS 61 Ca 0.00 0.13 -0.31 0.00 -0.36 0.00 0.00 55.97 55.44 3d6q s LYS 61 Cb 0.00 -3.98 -0.08 0.00 -1.51 0.00 0.00 37.83 32.26 3d6q s LYS 61 CO 0.00 -1.45 1.52 1.21 -0.36 0.00 0.00 175.35 176.27 3d6q s ASN 62 N 2.65 6.70 0.06 1.43 3.04 -1.26 -0.17 114.94 127.39 3d6q s ASN 62 Ca 0.39 2.40 -0.01 0.00 0.04 0.00 0.00 52.86 55.68 3d6q s ASN 62 Cb -0.09 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 3d6q s ASN 62 CO 0.25 -0.79 -0.03 0.68 -3.04 0.00 0.00 177.10 174.17 3d6q s VAL 63 N 1.92 0.25 0.46 -5.21 -7.23 0.03 -4.90 120.40 105.71 3d6q s VAL 63 Ca 0.69 -1.82 -0.23 0.00 -1.81 0.00 0.00 61.98 58.81 3d6q s VAL 63 Cb -0.38 -1.54 -0.07 0.00 0.56 0.00 0.00 36.38 34.94 3d6q s VAL 63 CO 0.30 -0.98 1.18 0.00 -0.31 0.00 0.00 175.10 175.29 3d6q s ALA 64 N -3.90 2.99 0.65 1.32 0.00 -1.26 -2.73 121.76 118.83 3d6q s ALA 64 Ca 0.08 0.96 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 3d6q s ALA 64 Cb 0.08 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 3d6q s ALA 64 CO -0.09 -0.67 1.03 0.00 0.00 0.00 0.00 175.76 176.03 3d6q h LYS 66 N -0.42 0.69 -0.00 0.00 1.57 -1.93 -1.52 116.57 114.96 3d6q h LYS 66 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3d6q h LYS 66 Cb 1.23 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3d6q h LYS 66 CO 0.63 0.46 0.00 0.27 -0.57 0.00 0.00 179.45 180.23 3d6q n ASN 67 N -4.65 0.06 0.00 0.86 0.23 -1.26 -4.88 115.26 105.62 3d6q n ASN 67 Ca 0.21 -1.26 0.00 0.00 -0.53 0.00 0.00 54.58 53.00 3d6q n ASN 67 Cb 0.55 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 3d6q n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3d6q n GLY 68 N 0.89 1.66 3.74 4.83 0.00 -0.57 -5.06 105.19 110.68 3d6q n GLY 68 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3d6q n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d6q s GLN 69 N -0.66 2.07 -0.20 1.61 -1.52 -1.26 -4.74 119.66 114.95 3d6q s GLN 69 Ca 0.00 1.43 0.14 0.00 -1.95 0.00 0.00 55.36 54.98 3d6q s GLN 69 Cb 0.00 -1.86 0.43 0.00 -0.22 0.00 0.00 33.01 31.36 3d6q s GLN 69 CO 0.00 -1.82 1.31 0.25 -0.25 0.00 0.00 175.29 174.77 3d6q n THR 70 N -3.26 2.23 -1.24 -0.19 -2.24 -1.26 -0.13 114.28 108.19 3d6q n THR 70 Ca 0.11 -2.55 -0.18 0.00 -2.27 0.00 0.00 64.05 59.16 3d6q n THR 70 Cb 0.52 -0.27 0.20 0.00 -2.10 0.00 0.00 70.33 68.69 3d6q n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3d6q n ASN 71 N -1.09 3.72 -4.93 3.42 6.94 -1.26 -4.74 115.26 117.32 3d6q n ASN 71 Ca 0.22 -3.58 -0.27 0.00 -0.02 0.00 0.00 54.58 50.94 3d6q n ASN 71 Cb 0.81 -0.80 -0.03 0.00 -2.36 0.00 0.00 39.78 37.40 3d6q n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3d6q s TYR 73 N -1.84 -0.04 -0.16 0.00 1.51 0.38 -0.79 117.35 116.41 3d6q s TYR 73 Ca 0.37 0.22 -0.10 0.00 -1.01 0.00 0.00 57.07 56.54 3d6q s TYR 73 Cb -0.11 -0.15 -0.05 0.00 -0.11 0.00 0.00 41.96 41.55 3d6q s TYR 73 CO 0.29 -0.10 0.19 -1.14 -1.11 0.00 0.00 175.55 173.68 3d6q s GLN 74 N 0.88 4.01 0.26 -0.62 0.74 0.76 -1.33 119.66 124.37 3d6q s GLN 74 Ca -0.07 -0.09 -0.30 0.00 0.05 0.00 0.00 55.36 54.95 3d6q s GLN 74 Cb -0.10 -3.36 -0.10 0.00 1.10 0.00 0.00 33.01 30.55 3d6q s GLN 74 CO -0.03 0.42 1.47 -1.54 -0.55 0.00 0.00 175.29 175.06 3d6q s SER 75 N -0.02 6.58 0.22 6.67 1.04 -0.03 -2.37 113.70 125.79 3d6q s SER 75 Ca 0.13 2.74 -0.06 0.00 0.48 0.00 0.00 55.95 59.24 3d6q s SER 75 Cb -0.12 -2.63 0.20 0.00 0.10 0.00 0.00 66.02 63.57 3d6q s SER 75 CO 0.02 -0.75 1.76 1.88 0.98 0.00 0.00 173.24 177.13 3d6q h TYR 76 N 4.91 1.13 -2.87 5.02 0.05 -1.94 -3.43 116.97 119.83 3d6q h TYR 76 Ca -0.46 -0.11 -0.52 0.00 0.05 0.00 0.00 58.73 57.69 3d6q h TYR 76 Cb 1.22 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 3d6q h TYR 76 CO 0.59 0.90 -0.27 -1.12 -1.05 0.00 0.00 178.16 177.21 3d6q s SER 77 N -6.46 6.38 0.58 3.88 0.01 -1.26 -5.04 113.70 111.79 3d6q s SER 77 Ca -0.12 0.46 -0.17 0.00 1.31 0.00 0.00 55.95 57.43 3d6q s SER 77 Cb 0.15 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 3d6q s SER 77 CO 0.84 -0.12 1.09 0.42 0.41 0.00 0.00 173.24 175.87 3d6q s THR 78 N -2.00 3.49 0.08 1.44 -4.23 -1.26 -4.43 115.64 108.72 3d6q s THR 78 Ca 0.40 0.80 0.05 0.00 -1.18 0.00 0.00 61.69 61.75 3d6q s THR 78 Cb -0.11 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 3d6q s THR 78 CO 0.30 -0.32 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.89 3d6q s MET 79 N -3.71 0.81 -0.15 3.99 -1.94 0.51 -4.85 119.30 113.96 3d6q s MET 79 Ca 0.68 -0.98 -0.29 0.00 -1.71 0.00 0.00 55.69 53.38 3d6q s MET 79 Cb -0.19 -0.75 -0.03 0.00 2.01 0.00 0.00 34.83 35.87 3d6q s MET 79 CO 0.32 0.16 1.49 0.45 -0.01 0.00 0.00 175.02 177.43 3d6q s SER 80 N -1.86 6.69 0.15 3.03 0.15 -1.26 -1.71 113.70 118.89 3d6q s SER 80 Ca -0.01 1.83 0.04 0.00 0.70 0.00 0.00 55.95 58.51 3d6q s SER 80 Cb -0.09 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3d6q s SER 80 CO 0.02 -0.96 -0.09 0.27 1.20 0.00 0.00 173.24 173.67 3d6q s ILE 81 N 4.16 1.16 -0.12 6.45 -4.36 0.40 0.13 121.20 129.02 3d6q s ILE 81 Ca 0.65 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 3d6q s ILE 81 Cb -0.26 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.58 3d6q s ILE 81 CO 0.24 -0.72 -0.14 -0.89 0.24 0.00 0.00 174.94 173.67 3d6q s THR 82 N -3.34 1.45 -0.18 8.37 2.01 -0.03 -0.88 115.64 123.05 3d6q s THR 82 Ca 0.18 -0.59 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 3d6q s THR 82 Cb 0.03 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 3d6q s THR 82 CO 0.01 0.43 0.54 -1.81 -0.69 0.00 0.00 174.62 173.11 3d6q s ASP 83 N 1.19 6.63 -0.22 3.53 1.01 0.70 -1.16 116.67 128.35 3d6q s ASP 83 Ca -0.02 0.76 -0.04 0.00 0.71 0.00 0.00 52.55 53.96 3d6q s ASP 83 Cb -0.14 -2.31 -0.00 0.00 1.01 0.00 0.00 42.92 41.48 3d6q s ASP 83 CO -0.05 -0.16 -0.05 0.00 0.21 0.00 0.00 175.17 175.12 3d6q s ARG 85 N 1.46 0.84 0.39 0.00 3.52 -1.01 -0.93 118.95 123.22 3d6q s ARG 85 Ca 0.05 -0.11 -0.27 0.00 -0.13 0.00 0.00 55.73 55.28 3d6q s ARG 85 Cb -0.14 -0.84 -0.11 0.00 -1.56 0.00 0.00 34.95 32.30 3d6q s ARG 85 CO -0.04 -0.08 1.34 -1.91 -0.81 0.00 0.00 175.30 173.80 3d6q n GLU 86 N 4.05 2.19 -1.33 5.12 2.13 0.42 -0.65 120.64 132.56 3d6q n GLU 86 Ca -0.25 0.77 -0.31 0.00 0.66 0.00 0.00 57.16 58.04 3d6q n GLU 86 Cb 0.51 -2.45 0.09 0.00 0.27 0.00 0.00 31.44 29.86 3d6q n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3d6q s THR 87 N -1.15 3.29 0.41 6.31 -4.23 0.02 -4.77 115.64 115.52 3d6q s THR 87 Ca 0.57 0.42 0.26 0.00 -1.18 0.00 0.00 61.69 61.77 3d6q s THR 87 Cb -0.51 -2.97 0.28 0.00 1.34 0.00 0.00 72.50 70.64 3d6q s THR 87 CO 0.61 -0.55 2.06 1.23 -0.54 0.00 0.00 174.62 177.43 3d6q h GLY 88 N -1.14 0.00 -0.19 3.99 0.00 -1.93 -2.82 103.07 100.97 3d6q h GLY 88 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3d6q h GLY 88 CO 0.54 0.00 -0.47 -1.14 0.00 0.00 0.00 176.54 175.46 3d6q n SER 89 N -3.68 1.36 -4.73 0.19 3.41 -1.26 -4.97 113.62 103.94 3d6q n SER 89 Ca -0.02 -1.08 -0.42 0.00 -0.26 0.00 0.00 58.87 57.10 3d6q n SER 89 Cb 0.24 0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 3d6q n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3d6q s SER 90 N -2.62 6.42 -0.13 4.04 0.15 -1.07 -5.00 113.70 115.50 3d6q s SER 90 Ca 0.18 2.85 -0.04 0.00 0.70 0.00 0.00 55.95 59.64 3d6q s SER 90 Cb 0.18 -2.61 0.06 0.00 -1.71 0.00 0.00 66.02 61.94 3d6q s SER 90 CO 0.61 -0.91 0.18 -0.75 1.20 0.00 0.00 173.24 173.56 3d6q s LYS 91 N 0.44 0.08 0.27 5.44 2.20 -1.20 -4.94 119.74 122.04 3d6q s LYS 91 Ca 0.69 0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 56.43 3d6q s LYS 91 Cb -0.48 -0.64 -0.14 0.00 -1.51 0.00 0.00 37.83 35.06 3d6q s LYS 91 CO 0.39 -0.43 1.18 0.98 -0.36 0.00 0.00 175.35 177.11 3d6q n TYR 92 N 5.32 1.68 1.42 4.03 9.36 -1.26 -0.29 117.16 137.43 3d6q n TYR 92 Ca -0.05 0.61 0.05 0.00 3.32 0.00 0.00 57.90 61.83 3d6q n TYR 92 Cb 0.50 -2.34 0.21 0.00 -0.63 0.00 0.00 39.34 37.08 3d6q n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3d6q n PRO 93 N 1.15 1.45 -3.21 2.98 -0.04 -1.26 -4.97 135.00 131.09 3d6q n PRO 93 Ca 0.10 -0.70 -0.40 0.00 -0.04 0.00 0.00 63.50 62.47 3d6q n PRO 93 Cb 0.31 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 3d6q n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3d6q n ASN 94 N 0.01 5.56 -4.77 3.54 3.02 0.61 -5.05 115.26 118.18 3d6q n ASN 94 Ca 0.10 -3.32 -0.40 0.00 -0.03 0.00 0.00 54.58 50.92 3d6q n ASN 94 Cb 0.19 -1.16 -0.03 0.00 -0.61 0.00 0.00 39.78 38.17 3d6q n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d6q s ALA 96 N -1.25 -0.04 0.04 0.00 0.00 -1.26 -4.97 121.76 114.27 3d6q s ALA 96 Ca 0.50 0.23 0.05 0.00 0.00 0.00 0.00 51.96 52.75 3d6q s ALA 96 Cb -0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3d6q s ALA 96 CO 0.43 -0.06 -0.16 0.71 0.00 0.00 0.00 175.76 176.68 3d6q s TYR 97 N 0.53 1.36 -0.06 0.00 2.02 -1.26 -0.80 117.35 119.13 3d6q s TYR 97 Ca -0.04 -0.36 -0.16 0.00 -0.37 0.00 0.00 57.07 56.14 3d6q s TYR 97 Cb -0.06 -0.81 -0.05 0.00 -0.40 0.00 0.00 41.96 40.64 3d6q s TYR 97 CO -0.02 0.05 0.42 0.15 -1.57 0.00 0.00 175.55 174.58 3d6q s LYS 98 N -1.13 4.13 -0.25 -0.62 -0.14 0.17 -4.65 119.74 117.25 3d6q s LYS 98 Ca 0.03 0.39 -0.10 0.00 -1.36 0.00 0.00 55.97 54.93 3d6q s LYS 98 Cb -0.08 -3.33 -0.05 0.00 -1.68 0.00 0.00 37.83 32.69 3d6q s LYS 98 CO 0.01 0.43 0.16 0.99 -0.76 0.00 0.00 175.35 176.18 3d6q s THR 99 N -0.22 5.25 -0.19 2.17 2.01 -1.26 -2.40 115.64 121.00 3d6q s THR 99 Ca 0.24 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.38 3d6q s THR 99 Cb -0.16 -3.46 0.05 0.00 0.01 0.00 0.00 72.50 68.94 3d6q s THR 99 CO 0.11 0.32 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.43 3d6q s THR 100 N 1.26 1.18 0.25 -0.82 2.01 -0.44 -4.99 115.64 114.07 3d6q s THR 100 Ca 0.07 -0.77 -0.27 0.00 0.31 0.00 0.00 61.69 61.03 3d6q s THR 100 Cb -0.14 -1.40 -0.09 0.00 0.01 0.00 0.00 72.50 70.88 3d6q s THR 100 CO 0.06 0.05 0.88 -1.58 -0.69 0.00 0.00 174.62 173.34 3d6q s GLN 101 N 1.59 4.65 0.18 4.92 2.00 -1.26 -0.21 119.66 131.53 3d6q s GLN 101 Ca -0.01 1.31 -0.20 0.00 -2.00 0.00 0.00 55.36 54.46 3d6q s GLN 101 Cb -0.16 -3.09 0.05 0.00 0.80 0.00 0.00 33.01 30.60 3d6q s GLN 101 CO -0.07 0.45 0.56 0.00 -0.50 0.00 0.00 175.29 175.73 3d6q s ALA 102 N -1.34 -1.24 -0.27 1.58 0.00 -0.06 -4.95 121.76 115.47 3d6q s ALA 102 Ca 0.43 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.50 3d6q s ALA 102 Cb -0.22 0.84 0.07 0.00 0.00 0.00 0.00 23.12 23.81 3d6q s ALA 102 CO 0.27 -0.80 -0.07 -0.80 0.00 0.00 0.00 175.76 174.37 3d6q s ASN 103 N -2.82 4.44 0.11 0.00 0.02 -1.26 -0.45 114.94 114.97 3d6q s ASN 103 Ca 0.05 -1.54 -0.05 0.00 -1.02 0.00 0.00 52.86 50.31 3d6q s ASN 103 Cb -0.01 -1.51 -0.02 0.00 0.02 0.00 0.00 41.25 39.72 3d6q s ASN 103 CO -0.07 -0.24 0.12 -0.54 0.02 0.00 0.00 177.10 176.38 3d6q s LYS 104 N 1.10 0.88 0.29 -0.60 1.02 -0.69 -4.77 119.74 116.97 3d6q s LYS 104 Ca -0.04 -1.21 -0.28 0.00 0.02 0.00 0.00 55.97 54.45 3d6q s LYS 104 Cb -0.20 0.29 -0.09 0.00 -0.52 0.00 0.00 37.83 37.31 3d6q s LYS 104 CO -0.06 -0.26 1.04 -1.01 -0.92 0.00 0.00 175.35 174.14 3d6q s HIS 105 N -3.95 3.64 0.10 3.18 3.76 -0.05 -0.36 115.29 121.59 3d6q s HIS 105 Ca 0.14 1.75 0.02 0.00 -0.15 0.00 0.00 55.06 56.82 3d6q s HIS 105 Cb 0.06 -3.16 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 3d6q s HIS 105 CO -0.05 -0.27 0.19 0.96 -0.85 0.00 0.00 174.74 174.73 3d6q s ILE 106 N -1.28 5.09 -0.14 0.60 -4.36 -1.26 -0.35 121.20 119.49 3d6q s ILE 106 Ca 0.46 -0.62 0.01 0.00 -0.26 0.00 0.00 60.65 60.24 3d6q s ILE 106 Cb -0.28 -3.52 0.02 0.00 1.25 0.00 0.00 42.46 39.93 3d6q s ILE 106 CO 0.36 0.05 -0.16 -0.63 0.24 0.00 0.00 174.94 174.80 3d6q s ILE 107 N -1.57 1.67 0.11 8.37 1.01 0.11 -0.85 121.20 130.06 3d6q s ILE 107 Ca 0.33 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 60.34 3d6q s ILE 107 Cb -0.12 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3d6q s ILE 107 CO 0.26 0.48 -0.18 0.68 0.00 0.00 0.00 174.94 176.18 3d6q s VAL 108 N 1.30 1.54 0.01 2.92 -7.23 -0.44 -0.22 120.40 118.28 3d6q s VAL 108 Ca 0.02 -1.60 -0.20 0.00 -1.81 0.00 0.00 61.98 58.39 3d6q s VAL 108 Cb -0.13 -1.51 -0.06 0.00 0.56 0.00 0.00 36.38 35.24 3d6q s VAL 108 CO -0.08 -0.20 0.58 0.00 -0.31 0.00 0.00 175.10 175.08 3d6q s ALA 109 N -1.52 3.52 -0.00 1.32 0.00 -0.32 -0.47 121.76 124.29 3d6q s ALA 109 Ca 0.07 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.11 3d6q s ALA 109 Cb -0.08 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 3d6q s ALA 109 CO 0.04 0.22 -0.19 0.00 0.00 0.00 0.00 175.76 175.83 3d6q s GLU 111 N -0.99 1.06 0.07 0.00 2.12 -0.62 -4.89 118.70 115.46 3d6q s GLU 111 Ca 0.12 -0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.45 3d6q s GLU 111 Cb -0.10 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.78 3d6q s GLU 111 CO 0.02 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 174.76 3d6q n GLY 112 N 0.44 -3.29 2.78 -1.50 0.00 -1.26 -2.92 105.19 99.45 3d6q n GLY 112 Ca -0.17 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.67 3d6q n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d6q s ASN 113 N -1.36 3.40 0.64 1.61 3.04 -1.26 -1.97 114.94 119.04 3d6q s ASN 113 Ca 0.00 -1.10 -0.17 0.00 0.04 0.00 0.00 52.86 51.63 3d6q s ASN 113 Cb 0.00 -0.80 -0.01 0.00 -1.54 0.00 0.00 41.25 38.90 3d6q s ASN 113 CO 0.00 -0.32 1.20 -2.16 -3.04 0.00 0.00 177.10 172.78 3d6q s PRO 114 N 1.69 2.71 -0.77 0.43 0.04 -1.26 -5.09 135.00 132.76 3d6q s PRO 114 Ca 0.00 1.76 -0.26 0.00 0.04 0.00 0.00 61.00 62.54 3d6q s PRO 114 Cb -0.18 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.50 3d6q s PRO 114 CO -0.12 -1.39 1.27 -0.47 0.04 0.00 0.00 177.00 176.33 3d6q s TYR 115 N -1.79 2.34 0.19 0.56 5.04 -0.83 -4.86 117.35 117.99 3d6q s TYR 115 Ca 0.75 -0.18 0.03 0.00 -2.44 0.00 0.00 57.07 55.23 3d6q s TYR 115 Cb -0.29 -4.61 -0.05 0.00 0.35 0.00 0.00 41.96 37.36 3d6q s TYR 115 CO 0.38 -2.03 -0.01 0.14 -1.34 0.00 0.00 175.55 172.69 3d6q s VAL 116 N 5.51 0.82 0.25 3.14 -7.23 -1.15 -4.84 120.40 116.91 3d6q s VAL 116 Ca 0.35 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.22 3d6q s VAL 116 Cb -0.08 -2.15 -0.10 0.00 0.56 0.00 0.00 36.38 34.60 3d6q s VAL 116 CO 0.12 -0.46 1.50 -2.84 -0.31 0.00 0.00 175.10 173.10 3d6q s PRO 117 N -3.88 4.22 0.00 4.82 0.02 -1.26 -1.58 135.00 137.34 3d6q s PRO 117 Ca 0.24 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.65 3d6q s PRO 117 Cb 0.06 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.49 3d6q s PRO 117 CO 0.05 -0.50 0.23 1.33 -0.33 0.00 0.00 177.00 177.78 3d6q n VAL 118 N 2.45 0.00 -3.65 3.83 0.24 0.67 -4.41 118.33 117.47 3d6q n VAL 118 Ca 0.08 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.34 61.83 3d6q n VAL 118 Cb 0.39 1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 3d6q n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3d6q s HIS 119 N -0.36 -0.74 -0.33 6.34 5.65 -1.20 -4.70 115.29 119.94 3d6q s HIS 119 Ca 0.00 1.81 -0.14 0.00 0.25 0.00 0.00 55.06 56.98 3d6q s HIS 119 Cb 0.00 0.26 -0.02 0.00 -1.18 0.00 0.00 32.58 31.64 3d6q s HIS 119 CO 0.00 -0.36 0.30 0.12 -0.65 0.00 0.00 174.74 174.15 3d6q s PHE 120 N 0.38 3.22 -0.18 3.88 2.19 -1.26 -1.17 117.98 125.03 3d6q s PHE 120 Ca -0.00 -0.04 -0.21 0.00 0.33 0.00 0.00 56.93 57.01 3d6q s PHE 120 Cb -0.05 -2.56 -0.21 0.00 -1.31 0.00 0.00 43.02 38.88 3d6q s PHE 120 CO 0.01 -0.36 0.35 0.22 1.83 0.00 0.00 175.22 177.26 3d6q h ASP 121 N 8.44 0.06 -5.01 6.13 3.58 -0.95 -3.48 116.42 125.19 3d6q h ASP 121 Ca -0.31 -0.65 0.23 0.00 0.42 0.00 0.00 57.03 56.73 3d6q h ASP 121 Cb 1.15 -0.02 -0.14 0.00 1.72 0.00 0.00 39.33 42.05 3d6q h ASP 121 CO 0.65 1.45 0.69 0.00 -2.88 0.00 0.00 179.24 179.15 3d6q s ALA 122 N -2.36 -1.99 0.03 -0.78 0.00 -1.06 -4.97 121.76 110.62 3d6q s ALA 122 Ca -0.26 0.91 0.08 0.00 0.00 0.00 0.00 51.96 52.69 3d6q s ALA 122 Cb 0.04 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 3d6q s ALA 122 CO 0.64 -0.85 -0.22 -1.54 0.00 0.00 0.00 175.76 173.79 3d6q s SER 123 N -2.64 3.46 0.00 0.00 1.04 -1.26 0.04 113.70 114.34 3d6q s SER 123 Ca 0.11 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3d6q s SER 123 Cb 0.01 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.67 3d6q s SER 123 CO -0.04 0.27 0.26 1.33 0.98 0.00 0.00 173.24 176.05