#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 4.24 0.77 -1.58 2.12 -1.26 -5.02 118.70 117.96 3d6q s GLU 2 Ca 0.00 1.74 -0.11 0.00 0.36 0.00 0.00 54.97 56.96 3d6q s GLU 2 Cb 0.00 -3.76 0.05 0.00 0.26 0.00 0.00 34.13 30.68 3d6q s GLU 2 CO 0.00 -0.69 1.08 0.95 -0.54 0.00 0.00 175.26 176.06 3d6q s THR 3 N 3.37 3.43 0.23 -1.70 -4.23 -1.26 -4.85 115.64 110.63 3d6q s THR 3 Ca 0.58 0.47 -0.07 0.00 -1.18 0.00 0.00 61.69 61.48 3d6q s THR 3 Cb -0.24 -3.13 0.21 0.00 1.34 0.00 0.00 72.50 70.68 3d6q s THR 3 CO 0.18 -0.61 1.90 0.00 -0.54 0.00 0.00 174.62 175.54 3d6q h ALA 4 N -1.01 1.14 -0.46 3.99 0.00 -1.95 0.17 119.26 121.14 3d6q h ALA 4 Ca -0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3d6q h ALA 4 Cb 1.24 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3d6q h ALA 4 CO 0.56 0.48 0.25 0.00 0.00 0.00 0.00 179.25 180.54 3d6q h ALA 5 N 1.34 0.59 -0.76 0.00 0.00 -1.89 -0.66 119.26 117.87 3d6q h ALA 5 Ca 0.34 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3d6q h ALA 5 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3d6q h ALA 5 CO -0.09 0.11 0.26 0.00 0.00 0.00 0.00 179.25 179.53 3d6q h ALA 6 N 1.10 1.02 -0.63 0.00 0.00 -1.81 -1.91 119.26 117.04 3d6q h ALA 6 Ca 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3d6q h ALA 6 Cb 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3d6q h ALA 6 CO -0.03 0.67 0.32 -0.22 0.00 0.00 0.00 179.25 179.99 3d6q h LYS 7 N 1.12 0.89 -0.46 0.00 3.64 -0.67 -0.29 116.57 120.79 3d6q h LYS 7 Ca 0.25 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3d6q h LYS 7 Cb 0.28 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 3d6q h LYS 7 CO -0.01 0.70 0.24 0.35 -2.27 0.00 0.00 179.45 178.45 3d6q h PHE 8 N 0.86 0.43 -0.66 1.91 3.04 -0.84 0.38 116.94 122.06 3d6q h PHE 8 Ca 0.22 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.19 3d6q h PHE 8 Cb 0.09 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.44 3d6q h PHE 8 CO -0.00 0.22 0.41 0.93 -2.02 0.00 0.00 178.31 177.85 3d6q h GLU 9 N 0.47 0.88 -0.51 1.11 5.08 -0.83 0.15 114.58 120.93 3d6q h GLU 9 Ca 0.20 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3d6q h GLU 9 Cb 0.10 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3d6q h GLU 9 CO -0.14 0.62 0.12 -0.09 -1.00 0.00 0.00 179.01 178.52 3d6q h ARG 10 N 0.89 0.82 0.00 2.33 2.43 -0.63 -2.19 114.38 118.03 3d6q h ARG 10 Ca 0.24 -0.20 -0.20 0.00 -0.81 0.00 0.00 59.98 59.01 3d6q h ARG 10 Cb -0.05 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 3d6q h ARG 10 CO -0.05 0.79 -1.02 1.96 -1.51 0.00 0.00 179.97 180.14 3d6q h GLN 11 N 0.70 0.00 0.00 0.20 4.20 -0.73 -3.42 115.11 116.06 3d6q h GLN 11 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3d6q h GLN 11 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3d6q h GLN 11 CO 0.00 0.78 0.00 0.72 -0.67 0.00 0.00 178.83 179.66 3d6q n HIS 12 N -3.25 0.00 -3.88 2.96 8.25 0.51 -4.66 115.22 115.15 3d6q n HIS 12 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.08 3d6q n HIS 12 Cb 0.91 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.92 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 -0.51 3.96 -0.42 -0.41 -1.94 -0.83 0.27 119.30 119.42 3d6q s MET 13 Ca 0.00 -0.34 0.06 0.00 -1.71 0.00 0.00 55.69 53.70 3d6q s MET 13 Cb 0.00 -3.32 0.21 0.00 2.01 0.00 0.00 34.83 33.73 3d6q s MET 13 CO 0.00 0.16 0.48 -3.47 -0.01 0.00 0.00 175.02 172.18 3d6q n ASP 14 N 3.91 -0.70 0.22 3.03 2.03 -0.13 -4.83 116.55 120.08 3d6q n ASP 14 Ca -0.16 -2.61 0.15 0.00 0.52 0.00 0.00 54.79 52.69 3d6q n ASP 14 Cb 0.52 -0.19 0.65 0.00 -0.72 0.00 0.00 41.12 41.38 3d6q n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3d6q h SER 15 N 4.84 0.00 -0.28 1.67 0.02 -1.74 -3.31 113.55 114.75 3d6q h SER 15 Ca 0.14 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3d6q h SER 15 Cb 0.93 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 3d6q h SER 15 CO 0.37 0.00 0.09 0.28 -1.14 0.00 0.00 176.83 176.43 3d6q h SER 16 N 0.00 0.47 -3.45 3.07 0.02 -1.92 -3.42 113.55 108.32 3d6q h SER 16 Ca 0.00 -0.06 -0.66 0.00 -0.84 0.00 0.00 61.79 60.23 3d6q h SER 16 Cb 0.40 -0.12 -0.14 0.00 0.14 0.00 0.00 62.40 62.67 3d6q h SER 16 CO 0.00 0.48 -0.68 0.28 -1.14 0.00 0.00 176.83 175.77 3d6q s THR 17 N -5.14 3.89 0.13 -2.27 -1.32 -1.24 -5.04 115.64 104.64 3d6q s THR 17 Ca -0.08 -0.83 -0.12 0.00 -1.21 0.00 0.00 61.69 59.45 3d6q s THR 17 Cb 0.16 -2.77 -0.07 0.00 -1.51 0.00 0.00 72.50 68.32 3d6q s THR 17 CO 0.75 0.28 1.44 0.28 -2.21 0.00 0.00 174.62 175.16 3d6q h SER 18 N 4.05 0.95 0.00 8.08 0.02 -1.89 -3.44 113.55 121.31 3d6q h SER 18 Ca -0.48 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 59.98 3d6q h SER 18 Cb 1.17 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3d6q h SER 18 CO 0.57 1.25 0.00 0.00 -1.14 0.00 0.00 176.83 177.50 3d6q n ALA 19 N -2.54 0.00 0.00 3.77 0.00 -1.26 -4.82 120.51 115.65 3d6q n ALA 19 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3d6q n ALA 19 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3d6q n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d6q n ALA 20 N -1.02 0.00 -2.50 0.00 0.00 -1.26 -4.84 120.51 110.89 3d6q n ALA 20 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3d6q n ALA 20 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3d6q n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3d6q n SER 21 N 0.00 -2.61 -4.60 0.00 7.64 -1.26 -4.81 113.62 107.98 3d6q n SER 21 Ca 0.00 1.44 -0.29 0.00 1.01 0.00 0.00 58.87 61.03 3d6q n SER 21 Cb 0.00 -5.15 0.20 0.00 -1.01 0.00 0.00 64.21 58.25 3d6q n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3d6q s SER 22 N -0.63 2.14 0.63 6.43 1.04 -1.26 -4.81 113.70 117.25 3d6q s SER 22 Ca -0.21 1.66 0.31 0.00 0.48 0.00 0.00 55.95 58.19 3d6q s SER 22 Cb 0.01 -2.31 1.73 0.00 0.10 0.00 0.00 66.02 65.55 3d6q s SER 22 CO 0.58 -3.50 2.04 0.77 0.98 0.00 0.00 173.24 174.10 3d6q h SER 23 N -2.14 0.00 1.24 7.02 4.64 -1.93 0.34 113.55 122.72 3d6q h SER 23 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3d6q h SER 23 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3d6q h SER 23 CO 0.50 0.00 -0.22 0.59 -0.87 0.00 0.00 176.83 176.83 3d6q n ASN 24 N -3.34 0.76 -0.03 4.97 3.02 -1.26 -4.58 115.26 114.80 3d6q n ASN 24 Ca 0.01 0.41 -0.12 0.00 -0.03 0.00 0.00 54.58 54.84 3d6q n ASN 24 Cb 0.37 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 39.03 3d6q n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3d6q h TYR 25 N 0.00 -1.25 -0.43 3.10 3.20 -1.23 -2.06 116.97 118.29 3d6q h TYR 25 Ca 0.00 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3d6q h TYR 25 Cb 0.73 0.57 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 3d6q h TYR 25 CO 0.00 -0.47 0.14 0.00 -1.64 0.00 0.00 178.16 176.19 3d6q h ASN 27 N 0.56 0.13 -0.01 0.00 2.35 -1.71 0.38 115.58 117.28 3d6q h ASN 27 Ca 0.14 0.14 -0.12 0.00 -0.55 0.00 0.00 56.30 55.91 3d6q h ASN 27 Cb 0.25 0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.79 3d6q h ASN 27 CO -0.01 0.01 -0.46 1.56 -1.65 0.00 0.00 177.43 176.88 3d6q h GLN 28 N 0.34 0.33 -0.35 0.81 4.20 -0.96 -3.25 115.11 116.22 3d6q h GLN 28 Ca 0.43 -0.34 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 3d6q h GLN 28 Cb 0.72 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3d6q h GLN 28 CO -0.48 1.03 -0.35 0.52 -0.67 0.00 0.00 178.83 178.88 3d6q h MET 29 N -0.24 0.86 -0.84 1.46 2.86 -0.54 -0.57 114.93 117.93 3d6q h MET 29 Ca -0.06 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.12 3d6q h MET 29 Cb 1.18 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.82 3d6q h MET 29 CO 0.09 1.10 0.49 0.52 1.06 0.00 0.00 176.91 180.17 3d6q h MET 30 N 0.65 1.14 0.11 1.72 2.86 -1.07 -1.06 114.93 119.29 3d6q h MET 30 Ca 0.06 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3d6q h MET 30 Cb 0.94 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.36 3d6q h MET 30 CO 0.09 0.81 -0.05 -0.22 1.06 0.00 0.00 176.91 178.59 3d6q h LYS 31 N 1.16 -0.15 0.00 1.72 3.64 -1.56 0.25 116.57 121.63 3d6q h LYS 31 Ca 0.30 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 3d6q h LYS 31 Cb -0.03 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3d6q h LYS 31 CO -0.05 0.26 -0.34 0.66 -2.27 0.00 0.00 179.45 177.70 3d6q h SER 32 N -0.59 0.00 -0.27 4.20 4.64 -0.94 -1.72 113.55 118.87 3d6q h SER 32 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3d6q h SER 32 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3d6q h SER 32 CO 0.03 0.34 0.00 0.54 -0.87 0.00 0.00 176.83 176.87 3d6q n ARG 33 N -3.83 1.65 -3.13 4.77 5.12 -0.41 -4.92 116.66 115.92 3d6q n ARG 33 Ca -0.01 -1.01 -0.17 0.00 -1.93 0.00 0.00 57.85 54.72 3d6q n ARG 33 Cb 0.42 -1.24 0.05 0.00 -1.16 0.00 0.00 32.46 30.53 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 0.31 -5.12 -1.19 0.55 3.02 -0.65 -4.82 115.26 107.37 3d6q n ASN 34 Ca 0.10 -0.33 0.10 0.00 -0.03 0.00 0.00 54.58 54.43 3d6q n ASN 34 Cb 0.24 -3.81 0.28 0.00 -0.61 0.00 0.00 39.78 35.89 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 -3.52 3.72 -0.18 3.41 4.77 0.07 -4.34 117.00 120.93 3d6q n LEU 35 Ca -0.03 -2.00 0.06 0.00 -0.03 0.00 0.00 56.01 54.01 3d6q n LEU 35 Cb 0.56 -0.43 0.08 0.00 -2.33 0.00 0.00 43.42 41.30 3d6q n LEU 35 CO 0.43 0.93 0.46 0.35 -1.33 0.00 0.00 177.39 178.22 3d6q n THR 36 N 1.38 1.17 -0.09 -5.08 -2.24 -1.20 -2.05 114.28 106.17 3d6q n THR 36 Ca 0.21 -1.39 -0.18 0.00 -2.27 0.00 0.00 64.05 60.42 3d6q n THR 36 Cb 0.58 0.11 -0.11 0.00 -2.10 0.00 0.00 70.33 68.80 3d6q n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3d6q h LYS 37 N 0.00 0.00 0.12 -0.78 3.64 -1.91 -3.39 116.57 114.24 3d6q h LYS 37 Ca 0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 3d6q h LYS 37 Cb 1.06 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3d6q h LYS 37 CO 0.00 0.93 -1.21 -0.44 -2.27 0.00 0.00 179.45 176.46 3d6q h ASP 38 N -1.00 0.61 -2.74 4.20 3.32 -1.89 -3.48 116.42 115.43 3d6q h ASP 38 Ca -0.23 -0.59 0.07 0.00 0.02 0.00 0.00 57.03 56.30 3d6q h ASP 38 Cb 1.16 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 3d6q h ASP 38 CO -0.14 1.43 0.45 -2.11 -1.72 0.00 0.00 179.24 177.14 3d6q n ARG 39 N -3.66 0.87 -2.76 3.56 1.85 -1.26 -5.09 116.66 110.17 3d6q n ARG 39 Ca -0.10 -1.82 -0.43 0.00 -1.00 0.00 0.00 57.85 54.50 3d6q n ARG 39 Cb 0.98 2.36 -0.03 0.00 -1.05 0.00 0.00 32.46 34.72 3d6q n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3d6q n LYS 41 N 7.37 2.61 -0.19 0.00 4.81 -0.87 -4.88 118.16 127.02 3d6q n LYS 41 Ca 0.08 0.96 -0.10 0.00 -0.87 0.00 0.00 58.31 58.38 3d6q n LYS 41 Cb 0.49 -2.85 0.01 0.00 0.02 0.00 0.00 35.03 32.69 3d6q n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3d6q h PRO 42 N 9.35 0.96 -3.50 1.64 0.11 -1.94 -3.43 132.00 135.20 3d6q h PRO 42 Ca -0.48 -0.31 -0.28 0.00 0.11 0.00 0.00 66.00 65.04 3d6q h PRO 42 Cb 1.24 -0.08 -0.33 0.00 0.11 0.00 0.00 31.00 31.94 3d6q h PRO 42 CO 0.94 0.97 -0.70 0.08 -0.21 0.00 0.00 178.00 179.08 3d6q s VAL 43 N -5.01 -0.05 -0.23 3.15 1.01 -1.26 -1.42 120.40 116.60 3d6q s VAL 43 Ca -0.12 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 3d6q s VAL 43 Cb 0.12 -0.10 0.06 0.00 0.00 0.00 0.00 36.38 36.46 3d6q s VAL 43 CO 0.84 0.08 0.60 0.21 0.00 0.00 0.00 175.10 176.83 3d6q s ASN 44 N 0.96 -0.66 -0.09 3.32 2.47 -0.55 -5.01 114.94 115.38 3d6q s ASN 44 Ca -0.08 1.23 0.02 0.00 0.42 0.00 0.00 52.86 54.45 3d6q s ASN 44 Cb -0.11 1.22 -0.02 0.00 -1.45 0.00 0.00 41.25 40.89 3d6q s ASN 44 CO -0.03 -0.21 -0.13 -0.89 -3.72 0.00 0.00 177.10 172.11 3d6q s THR 45 N 0.58 3.09 -0.11 -5.21 2.01 -1.26 -0.39 115.64 114.34 3d6q s THR 45 Ca -0.02 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 3d6q s THR 45 Cb -0.05 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 3d6q s THR 45 CO -0.03 0.56 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.04 3d6q s PHE 46 N -0.26 2.97 -0.21 4.92 0.08 -0.07 -4.30 117.98 121.11 3d6q s PHE 46 Ca 0.02 -0.18 -0.07 0.00 0.12 0.00 0.00 56.93 56.82 3d6q s PHE 46 Cb -0.13 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 3d6q s PHE 46 CO 0.03 0.12 0.05 0.08 -0.10 0.00 0.00 175.22 175.40 3d6q s VAL 47 N -0.19 4.48 -0.99 -0.44 1.01 0.14 -0.47 120.40 123.93 3d6q s VAL 47 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 3d6q s VAL 47 Cb -0.13 -3.04 0.32 0.00 0.00 0.00 0.00 36.38 33.52 3d6q s VAL 47 CO 0.03 0.41 1.61 1.41 0.00 0.00 0.00 175.10 178.55 3d6q n HIS 48 N 4.14 2.74 -4.22 5.22 -0.00 0.90 -0.96 115.22 123.04 3d6q n HIS 48 Ca -0.16 -2.74 -0.13 0.00 -0.00 0.00 0.00 57.72 54.68 3d6q n HIS 48 Cb 0.52 -1.13 -0.10 0.00 -0.00 0.00 0.00 29.99 29.28 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 -3.72 1.22 0.64 -0.41 0.41 -1.26 -4.47 118.70 111.12 3d6q s GLU 49 Ca 0.37 -1.64 -0.17 0.00 -0.41 0.00 0.00 54.97 53.12 3d6q s GLU 49 Cb 0.15 0.13 -0.01 0.00 -1.78 0.00 0.00 34.13 32.62 3d6q s GLU 49 CO -0.05 -0.35 1.19 -1.54 -0.49 0.00 0.00 175.26 174.02 3d6q s SER 50 N -3.19 4.91 0.25 -0.19 1.04 -1.26 -4.26 113.70 111.00 3d6q s SER 50 Ca 0.37 2.30 -0.05 0.00 0.48 0.00 0.00 55.95 59.05 3d6q s SER 50 Cb 0.07 -2.59 0.32 0.00 0.10 0.00 0.00 66.02 63.93 3d6q s SER 50 CO 0.11 -1.78 1.88 0.25 0.98 0.00 0.00 173.24 174.69 3d6q h LEU 51 N 0.41 0.97 -0.74 2.42 5.85 -1.99 -1.83 115.31 120.39 3d6q h LEU 51 Ca -0.49 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.27 3d6q h LEU 51 Cb 1.29 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3d6q h LEU 51 CO 0.53 0.64 0.46 0.00 -0.34 0.00 0.00 178.44 179.74 3d6q h ALA 52 N 1.40 0.97 -0.56 1.25 0.00 -1.99 0.94 119.26 121.28 3d6q h ALA 52 Ca 0.38 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 3d6q h ALA 52 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3d6q h ALA 52 CO -0.14 0.24 0.04 -0.44 0.00 0.00 0.00 179.25 178.94 3d6q h ASP 53 N 0.89 0.90 -0.09 0.00 3.32 -1.76 -0.49 116.42 119.19 3d6q h ASP 53 Ca 0.30 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 3d6q h ASP 53 Cb 0.04 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.36 3d6q h ASP 53 CO -0.12 0.94 -0.43 0.58 -1.72 0.00 0.00 179.24 178.49 3d6q h VAL 54 N 0.87 1.39 -0.80 -1.35 2.07 -1.06 -3.06 116.25 114.32 3d6q h VAL 54 Ca 0.17 -1.79 0.09 0.00 0.82 0.00 0.00 66.70 65.99 3d6q h VAL 54 Cb 0.46 2.25 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 3d6q h VAL 54 CO 0.02 0.53 0.52 1.56 0.02 0.00 0.00 177.57 180.22 3d6q h GLN 55 N 0.01 0.74 0.00 1.57 4.20 -0.72 -1.47 115.11 119.44 3d6q h GLN 55 Ca -0.03 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 3d6q h GLN 55 Cb 1.08 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 3d6q h GLN 55 CO 0.09 0.49 -0.02 0.00 -0.67 0.00 0.00 178.83 178.72 3d6q h ALA 56 N 1.59 1.37 0.00 3.87 0.00 -0.98 -2.18 119.26 122.93 3d6q h ALA 56 Ca 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3d6q h ALA 56 Cb 0.39 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3d6q h ALA 56 CO -0.14 0.03 -0.04 0.28 0.00 0.00 0.00 179.25 179.38 3d6q h VAL 57 N 0.00 0.75 0.00 0.00 2.07 -1.24 -1.76 116.25 116.06 3d6q h VAL 57 Ca -0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3d6q h VAL 57 Cb 0.07 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3d6q h VAL 57 CO 0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.63 3d6q n SER 59 N -1.54 2.74 0.00 0.00 3.41 -0.66 -5.01 113.62 112.56 3d6q n SER 59 Ca 0.01 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 3d6q n SER 59 Cb 0.07 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3d6q n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d6q n GLN 60 N -0.08 2.73 -2.53 4.33 6.02 -0.21 -4.99 117.38 122.65 3d6q n GLN 60 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 3d6q n GLN 60 Cb 0.46 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.69 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 4.34 3.78 -0.02 -1.09 2.20 -0.95 -4.85 119.74 123.16 3d6q s LYS 61 Ca 0.00 0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 56.14 3d6q s LYS 61 Cb 0.00 -3.90 -0.05 0.00 -1.51 0.00 0.00 37.83 32.37 3d6q s LYS 61 CO 0.00 -1.29 1.42 1.21 -0.36 0.00 0.00 175.35 176.32 3d6q s ASN 62 N 2.65 6.84 0.08 1.43 3.04 -1.26 -0.13 114.94 127.58 3d6q s ASN 62 Ca 0.51 2.10 0.01 0.00 0.04 0.00 0.00 52.86 55.53 3d6q s ASN 62 Cb -0.11 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 37.01 3d6q s ASN 62 CO 0.28 -0.74 -0.06 0.68 -3.04 0.00 0.00 177.10 174.21 3d6q s VAL 63 N 2.63 0.57 0.29 -5.21 -7.23 0.06 -4.93 120.40 106.58 3d6q s VAL 63 Ca 0.64 -1.72 -0.29 0.00 -1.81 0.00 0.00 61.98 58.80 3d6q s VAL 63 Cb -0.31 -1.41 -0.10 0.00 0.56 0.00 0.00 36.38 35.12 3d6q s VAL 63 CO 0.26 -0.79 1.36 0.00 -0.31 0.00 0.00 175.10 175.62 3d6q s ALA 64 N -3.19 3.55 0.58 1.32 0.00 -1.26 -3.05 121.76 119.71 3d6q s ALA 64 Ca 0.06 1.28 -0.16 0.00 0.00 0.00 0.00 51.96 53.15 3d6q s ALA 64 Cb 0.02 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3d6q s ALA 64 CO -0.05 -0.68 1.05 0.00 0.00 0.00 0.00 175.76 176.08 3d6q h LYS 66 N 0.50 0.21 -0.04 0.00 1.57 -1.92 -0.00 116.57 116.88 3d6q h LYS 66 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3d6q h LYS 66 Cb 1.22 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3d6q h LYS 66 CO 0.58 0.14 0.00 0.27 -0.57 0.00 0.00 179.45 179.87 3d6q n ASN 67 N -4.43 0.64 0.00 0.86 0.23 -1.26 -4.91 115.26 106.39 3d6q n ASN 67 Ca 0.12 -1.36 0.00 0.00 -0.53 0.00 0.00 54.58 52.81 3d6q n ASN 67 Cb 0.57 -0.02 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 1.00 1.08 3.73 4.83 0.00 -0.01 -5.06 105.19 110.75 3d6q n GLY 68 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.61 1.65 0.00 1.61 -1.52 -1.26 -4.77 119.66 114.76 3d6q s GLN 69 Ca 0.00 1.13 0.20 0.00 -1.95 0.00 0.00 55.36 54.74 3d6q s GLN 69 Cb 0.00 -1.83 0.39 0.00 -0.22 0.00 0.00 33.01 31.35 3d6q s GLN 69 CO 0.00 -2.06 1.33 0.25 -0.25 0.00 0.00 175.29 174.56 3d6q n THR 70 N -3.80 0.58 -1.30 -0.19 -2.24 -1.26 -0.98 114.28 105.09 3d6q n THR 70 Ca 0.09 -0.79 -0.27 0.00 -2.27 0.00 0.00 64.05 60.81 3d6q n THR 70 Cb 0.53 0.89 0.14 0.00 -2.10 0.00 0.00 70.33 69.79 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 1.25 5.23 -4.84 3.42 6.94 -1.26 -4.71 115.26 121.29 3d6q n ASN 71 Ca 0.17 -3.69 -0.27 0.00 -0.02 0.00 0.00 54.58 50.77 3d6q n ASN 71 Cb 0.54 -0.87 -0.05 0.00 -2.36 0.00 0.00 39.78 37.04 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 -1.70 0.00 -0.17 0.00 1.51 0.23 -0.76 117.35 116.47 3d6q s TYR 73 Ca 0.32 0.13 -0.07 0.00 -1.01 0.00 0.00 57.07 56.43 3d6q s TYR 73 Cb -0.11 -0.16 -0.04 0.00 -0.11 0.00 0.00 41.96 41.55 3d6q s TYR 73 CO 0.25 -0.07 0.08 -1.14 -1.11 0.00 0.00 175.55 173.55 3d6q s GLN 74 N 0.77 3.85 0.32 -0.62 0.74 0.82 -1.34 119.66 124.19 3d6q s GLN 74 Ca -0.06 -0.30 -0.29 0.00 0.05 0.00 0.00 55.36 54.76 3d6q s GLN 74 Cb -0.09 -3.20 -0.11 0.00 1.10 0.00 0.00 33.01 30.71 3d6q s GLN 74 CO -0.02 0.39 1.42 -1.54 -0.55 0.00 0.00 175.29 174.98 3d6q s SER 75 N 0.06 6.57 0.29 6.67 1.04 -0.22 -2.24 113.70 125.86 3d6q s SER 75 Ca 0.06 2.82 0.07 0.00 0.48 0.00 0.00 55.95 59.39 3d6q s SER 75 Cb -0.12 -2.65 0.43 0.00 0.10 0.00 0.00 66.02 63.78 3d6q s SER 75 CO 0.00 -0.71 1.67 1.88 0.98 0.00 0.00 173.24 177.07 3d6q h TYR 76 N 3.76 0.22 -2.81 5.02 0.05 -1.96 -3.44 116.97 117.81 3d6q h TYR 76 Ca -0.49 -0.07 -0.59 0.00 0.05 0.00 0.00 58.73 57.64 3d6q h TYR 76 Cb 1.23 -0.05 -0.09 0.00 1.01 0.00 0.00 36.73 38.84 3d6q h TYR 76 CO 0.56 0.62 -0.60 -1.12 -1.05 0.00 0.00 178.16 176.58 3d6q s SER 77 N -6.88 5.26 0.69 3.88 0.01 -1.26 -5.07 113.70 110.32 3d6q s SER 77 Ca -0.04 -0.21 -0.16 0.00 1.31 0.00 0.00 55.95 56.85 3d6q s SER 77 Cb 0.13 -1.30 0.02 0.00 0.21 0.00 0.00 66.02 65.08 3d6q s SER 77 CO 0.77 0.09 1.20 0.42 0.41 0.00 0.00 173.24 176.12 3d6q s THR 78 N -1.70 2.51 0.09 1.44 -4.23 -1.26 -4.55 115.64 107.93 3d6q s THR 78 Ca 0.30 0.26 0.06 0.00 -1.18 0.00 0.00 61.69 61.13 3d6q s THR 78 Cb -0.10 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 3d6q s THR 78 CO 0.22 -0.12 -0.16 -0.04 -0.54 0.00 0.00 174.62 173.98 3d6q s MET 79 N -3.79 0.94 -0.10 3.99 -1.94 0.16 -4.85 119.30 113.71 3d6q s MET 79 Ca 0.74 -1.08 -0.30 0.00 -1.71 0.00 0.00 55.69 53.35 3d6q s MET 79 Cb -0.28 -0.96 -0.03 0.00 2.01 0.00 0.00 34.83 35.56 3d6q s MET 79 CO 0.42 0.21 1.29 0.45 -0.01 0.00 0.00 175.02 177.38 3d6q s SER 80 N -1.98 6.95 0.07 3.03 0.15 -1.26 -1.69 113.70 118.97 3d6q s SER 80 Ca 0.03 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.51 3d6q s SER 80 Cb -0.09 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3d6q s SER 80 CO 0.03 -0.71 -0.05 0.27 1.20 0.00 0.00 173.24 173.99 3d6q s ILE 81 N 2.93 0.44 -0.10 6.45 -4.36 -0.46 -0.07 121.20 126.04 3d6q s ILE 81 Ca 0.58 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 3d6q s ILE 81 Cb -0.25 -1.58 0.02 0.00 1.25 0.00 0.00 42.46 41.90 3d6q s ILE 81 CO 0.20 -0.93 -0.10 -0.89 0.24 0.00 0.00 174.94 173.46 3d6q s THR 82 N -3.74 1.11 0.01 8.37 2.01 0.37 -1.61 115.64 122.17 3d6q s THR 82 Ca 0.09 -0.38 -0.18 0.00 0.31 0.00 0.00 61.69 61.53 3d6q s THR 82 Cb 0.06 -1.09 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 3d6q s THR 82 CO -0.07 0.37 0.53 -1.81 -0.69 0.00 0.00 174.62 172.95 3d6q s ASP 83 N 1.39 6.94 -0.18 3.53 1.01 0.41 -0.89 116.67 128.88 3d6q s ASP 83 Ca -0.01 1.12 -0.00 0.00 0.71 0.00 0.00 52.55 54.37 3d6q s ASP 83 Cb -0.13 -2.33 0.01 0.00 1.01 0.00 0.00 42.92 41.47 3d6q s ASP 83 CO -0.05 0.21 -0.15 0.00 0.21 0.00 0.00 175.17 175.38 3d6q s ARG 85 N 1.11 1.86 0.23 0.00 3.52 -1.01 -1.48 118.95 123.17 3d6q s ARG 85 Ca 0.00 -0.43 -0.32 0.00 -0.13 0.00 0.00 55.73 54.86 3d6q s ARG 85 Cb -0.14 -1.65 -0.12 0.00 -1.56 0.00 0.00 34.95 31.48 3d6q s ARG 85 CO -0.05 -0.09 1.65 -1.91 -0.81 0.00 0.00 175.30 174.08 3d6q n GLU 86 N 4.28 2.62 -1.48 5.12 2.13 -0.50 -0.90 120.64 131.89 3d6q n GLU 86 Ca -0.19 0.94 -0.31 0.00 0.66 0.00 0.00 57.16 58.26 3d6q n GLU 86 Cb 0.51 -2.75 0.06 0.00 0.27 0.00 0.00 31.44 29.54 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 0.73 3.74 0.46 6.31 -4.23 -0.25 -4.85 115.64 117.54 3d6q s THR 87 Ca 0.72 0.58 0.30 0.00 -1.18 0.00 0.00 61.69 62.12 3d6q s THR 87 Cb -0.54 -3.22 0.33 0.00 1.34 0.00 0.00 72.50 70.42 3d6q s THR 87 CO 0.39 -0.72 2.14 1.23 -0.54 0.00 0.00 174.62 177.11 3d6q h GLY 88 N -0.80 0.00 -1.12 3.99 0.00 -1.93 -2.79 103.07 100.42 3d6q h GLY 88 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3d6q h GLY 88 CO 0.55 0.00 -0.40 -1.14 0.00 0.00 0.00 176.54 175.54 3d6q n SER 89 N -3.58 2.15 -4.71 0.19 3.41 -1.26 -4.96 113.62 104.87 3d6q n SER 89 Ca -0.02 -1.58 -0.42 0.00 -0.26 0.00 0.00 58.87 56.59 3d6q n SER 89 Cb 0.19 0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 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 -2.37 6.42 -0.18 4.04 0.15 -1.06 -5.00 113.70 115.71 3d6q s SER 90 Ca 0.19 2.79 -0.01 0.00 0.70 0.00 0.00 55.95 59.63 3d6q s SER 90 Cb 0.18 -2.59 0.04 0.00 -1.71 0.00 0.00 66.02 61.95 3d6q s SER 90 CO 0.52 -0.97 -0.05 -0.54 1.20 0.00 0.00 173.24 173.41 3d6q s LYS 91 N 1.82 1.40 0.22 5.44 -0.14 -1.23 -4.90 119.74 122.36 3d6q s LYS 91 Ca 0.77 -0.57 -0.31 0.00 -1.36 0.00 0.00 55.97 54.50 3d6q s LYS 91 Cb -0.47 -2.08 -0.15 0.00 -1.68 0.00 0.00 37.83 33.44 3d6q s LYS 91 CO 0.34 -0.47 1.09 0.98 -0.76 0.00 0.00 175.35 176.53 3d6q n TYR 92 N 4.86 1.26 1.59 3.18 9.36 -1.26 -0.29 117.16 135.87 3d6q n TYR 92 Ca -0.12 0.69 0.15 0.00 3.32 0.00 0.00 57.90 61.94 3d6q n TYR 92 Cb 0.47 -2.26 0.75 0.00 -0.63 0.00 0.00 39.34 37.67 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 1.32 0.78 -2.10 2.98 -0.04 -1.26 -4.97 135.00 131.71 3d6q n PRO 93 Ca 0.13 -0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 3d6q n PRO 93 Cb 0.28 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.98 5.87 -4.71 3.54 5.03 0.61 -4.98 115.26 119.64 3d6q n ASN 94 Ca 0.18 -3.04 -0.42 0.00 0.87 0.00 0.00 54.58 52.16 3d6q n ASN 94 Cb 0.22 -1.48 -0.03 0.00 -1.02 0.00 0.00 39.78 37.47 3d6q n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3d6q s ALA 96 N 1.57 1.85 0.03 0.00 0.00 -1.26 -4.89 121.76 119.06 3d6q s ALA 96 Ca 0.68 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.73 3d6q s ALA 96 Cb -0.39 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 3d6q s ALA 96 CO 0.30 0.42 -0.09 0.71 0.00 0.00 0.00 175.76 177.11 3d6q s TYR 97 N -0.39 0.78 -0.01 0.00 1.51 -1.26 -1.10 117.35 116.88 3d6q s TYR 97 Ca 0.05 -0.32 -0.22 0.00 -1.01 0.00 0.00 57.07 55.57 3d6q s TYR 97 Cb -0.10 -0.47 -0.05 0.00 -0.11 0.00 0.00 41.96 41.23 3d6q s TYR 97 CO 0.00 -0.02 0.64 0.21 -1.11 0.00 0.00 175.55 175.27 3d6q s LYS 98 N -0.96 4.38 -0.28 -0.62 2.20 -0.08 -4.61 119.74 119.77 3d6q s LYS 98 Ca -0.02 0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 56.30 3d6q s LYS 98 Cb -0.07 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 3d6q s LYS 98 CO 0.00 0.28 0.15 0.99 -0.36 0.00 0.00 175.35 176.42 3d6q s THR 99 N 0.06 4.86 -0.20 3.43 2.01 -1.26 -2.41 115.64 122.13 3d6q s THR 99 Ca 0.33 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.25 3d6q s THR 99 Cb -0.18 -3.35 0.05 0.00 0.01 0.00 0.00 72.50 69.02 3d6q s THR 99 CO 0.18 0.22 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.38 3d6q s THR 100 N 1.68 1.39 0.14 -0.82 2.01 -0.55 -4.97 115.64 114.52 3d6q s THR 100 Ca 0.06 -0.93 -0.25 0.00 0.31 0.00 0.00 61.69 60.88 3d6q s THR 100 Cb -0.16 -1.57 -0.07 0.00 0.01 0.00 0.00 72.50 70.70 3d6q s THR 100 CO 0.08 0.06 0.76 -1.58 -0.69 0.00 0.00 174.62 173.25 3d6q s GLN 101 N 1.49 4.53 0.18 4.92 2.00 -1.26 -0.45 119.66 131.08 3d6q s GLN 101 Ca -0.02 1.12 -0.14 0.00 -2.00 0.00 0.00 55.36 54.32 3d6q s GLN 101 Cb -0.17 -3.28 0.01 0.00 0.80 0.00 0.00 33.01 30.37 3d6q s GLN 101 CO -0.07 0.51 0.42 0.00 -0.50 0.00 0.00 175.29 175.65 3d6q s ALA 102 N -0.91 -0.55 -0.28 1.58 0.00 -0.64 -4.99 121.76 115.98 3d6q s ALA 102 Ca 0.36 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3d6q s ALA 102 Cb -0.22 0.85 0.05 0.00 0.00 0.00 0.00 23.12 23.80 3d6q s ALA 102 CO 0.25 -0.74 -0.05 -0.80 0.00 0.00 0.00 175.76 174.42 3d6q s ASN 103 N -2.91 4.66 0.10 0.00 0.01 -1.26 -1.35 114.94 114.19 3d6q s ASN 103 Ca 0.12 -1.31 -0.04 0.00 -0.71 0.00 0.00 52.86 50.92 3d6q s ASN 103 Cb 0.01 -1.63 -0.03 0.00 0.41 0.00 0.00 41.25 40.01 3d6q s ASN 103 CO -0.02 -0.22 0.09 -0.54 -1.51 0.00 0.00 177.10 174.91 3d6q s LYS 104 N 1.18 0.84 0.04 -0.60 1.02 -0.68 -4.79 119.74 116.76 3d6q s LYS 104 Ca -0.07 -1.22 -0.30 0.00 0.02 0.00 0.00 55.97 54.40 3d6q s LYS 104 Cb -0.20 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.34 3d6q s LYS 104 CO -0.03 -0.24 1.10 -1.01 -0.92 0.00 0.00 175.35 174.25 3d6q s HIS 105 N -3.95 3.54 0.22 3.18 3.76 -0.19 0.35 115.29 122.20 3d6q s HIS 105 Ca 0.13 1.48 -0.05 0.00 -0.15 0.00 0.00 55.06 56.47 3d6q s HIS 105 Cb 0.06 -3.29 -0.06 0.00 1.11 0.00 0.00 32.58 30.41 3d6q s HIS 105 CO -0.05 -0.71 0.48 0.96 -0.85 0.00 0.00 174.74 174.56 3d6q s ILE 106 N 0.97 5.07 -0.15 0.60 -4.36 -1.26 -0.71 121.20 121.37 3d6q s ILE 106 Ca 0.55 0.08 0.01 0.00 -0.26 0.00 0.00 60.65 61.03 3d6q s ILE 106 Cb -0.26 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 39.80 3d6q s ILE 106 CO 0.29 -0.14 -0.16 -0.63 0.24 0.00 0.00 174.94 174.54 3d6q s ILE 107 N -1.87 1.70 0.13 8.37 1.01 0.58 -1.05 121.20 130.07 3d6q s ILE 107 Ca 0.43 -0.72 0.09 0.00 0.00 0.00 0.00 60.65 60.44 3d6q s ILE 107 Cb -0.11 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 3d6q s ILE 107 CO 0.26 0.48 -0.20 0.68 0.00 0.00 0.00 174.94 176.16 3d6q s VAL 108 N 1.36 1.82 -0.09 2.92 -7.23 -0.45 -0.37 120.40 118.36 3d6q s VAL 108 Ca 0.03 -1.73 -0.14 0.00 -1.81 0.00 0.00 61.98 58.33 3d6q s VAL 108 Cb -0.13 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 3d6q s VAL 108 CO -0.10 -0.16 0.34 0.00 -0.31 0.00 0.00 175.10 174.87 3d6q s ALA 109 N -1.54 3.66 0.05 1.32 0.00 -0.14 -0.60 121.76 124.52 3d6q s ALA 109 Ca 0.11 -0.36 0.08 0.00 0.00 0.00 0.00 51.96 51.79 3d6q s ALA 109 Cb -0.08 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 3d6q s ALA 109 CO 0.06 0.30 -0.22 0.00 0.00 0.00 0.00 175.76 175.90 3d6q s GLU 111 N -1.44 1.00 0.00 0.00 2.02 -0.62 -4.90 118.70 114.76 3d6q s GLU 111 Ca 0.14 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.26 3d6q s GLU 111 Cb -0.10 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.54 3d6q s GLU 111 CO 0.04 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.37 3d6q n GLY 112 N -0.16 -0.04 2.78 -1.39 0.00 -1.26 -2.09 105.19 103.03 3d6q n GLY 112 Ca -0.14 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.66 3.57 0.75 1.61 3.84 -1.26 -2.60 114.94 120.19 3d6q s ASN 113 Ca 0.00 -1.24 -0.12 0.00 0.21 0.00 0.00 52.86 51.72 3d6q s ASN 113 Cb 0.00 -0.83 0.05 0.00 -0.55 0.00 0.00 41.25 39.92 3d6q s ASN 113 CO 0.00 -0.34 1.10 -2.16 -2.79 0.00 0.00 177.10 172.91 3d6q s PRO 114 N 1.66 2.34 -0.55 0.43 0.04 -1.26 -5.10 135.00 132.57 3d6q s PRO 114 Ca 0.03 1.25 -0.26 0.00 0.04 0.00 0.00 61.00 62.06 3d6q s PRO 114 Cb -0.17 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.50 3d6q s PRO 114 CO -0.15 -1.59 1.01 -0.47 0.04 0.00 0.00 177.00 175.85 3d6q s TYR 115 N -2.74 2.75 0.14 0.56 5.04 -1.07 -4.87 117.35 117.17 3d6q s TYR 115 Ca 0.63 0.16 0.02 0.00 -2.44 0.00 0.00 57.07 55.45 3d6q s TYR 115 Cb -0.18 -4.19 -0.04 0.00 0.35 0.00 0.00 41.96 37.89 3d6q s TYR 115 CO 0.52 -1.39 -0.04 0.14 -1.34 0.00 0.00 175.55 173.45 3d6q s VAL 116 N 4.22 0.75 0.25 3.14 -7.23 -0.89 -4.88 120.40 115.76 3d6q s VAL 116 Ca 0.35 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 3d6q s VAL 116 Cb -0.11 -1.92 -0.10 0.00 0.56 0.00 0.00 36.38 34.82 3d6q s VAL 116 CO 0.22 -0.66 1.42 -2.84 -0.31 0.00 0.00 175.10 172.93 3d6q s PRO 117 N -3.86 4.28 0.00 4.82 0.02 -1.26 -1.59 135.00 137.40 3d6q s PRO 117 Ca 0.18 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3d6q s PRO 117 Cb 0.05 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3d6q s PRO 117 CO 0.00 -0.40 0.00 1.33 -0.33 0.00 0.00 177.00 177.60 3d6q n VAL 118 N 2.23 0.00 -3.77 3.83 0.24 0.48 -4.42 118.33 116.92 3d6q n VAL 118 Ca 0.06 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 3d6q n VAL 118 Cb 0.40 0.86 -0.11 0.00 -1.47 0.00 0.00 33.84 33.53 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 -0.86 -0.32 -0.31 6.34 5.65 -1.12 -4.61 115.29 120.06 3d6q s HIS 119 Ca 0.00 0.76 -0.14 0.00 0.25 0.00 0.00 55.06 55.93 3d6q s HIS 119 Cb 0.00 0.11 -0.03 0.00 -1.18 0.00 0.00 32.58 31.48 3d6q s HIS 119 CO 0.00 -0.18 0.32 0.12 -0.65 0.00 0.00 174.74 174.35 3d6q s PHE 120 N 0.03 3.22 -0.20 3.88 5.36 -1.26 -0.96 117.98 128.05 3d6q s PHE 120 Ca -0.01 0.08 -0.15 0.00 -0.96 0.00 0.00 56.93 55.89 3d6q s PHE 120 Cb -0.02 -2.57 -0.20 0.00 -0.34 0.00 0.00 43.02 39.89 3d6q s PHE 120 CO 0.01 -0.32 0.13 -3.47 -1.46 0.00 0.00 175.22 170.11 3d6q n ASP 121 N 5.27 1.95 -3.68 6.13 2.03 0.50 -4.96 116.55 123.80 3d6q n ASP 121 Ca -0.10 0.32 -0.02 0.00 0.52 0.00 0.00 54.79 55.50 3d6q n ASP 121 Cb 0.50 -0.88 -0.01 0.00 -0.72 0.00 0.00 41.12 40.01 3d6q n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3d6q s ALA 122 N -2.45 -1.90 0.06 -1.67 0.00 -1.04 -4.95 121.76 109.81 3d6q s ALA 122 Ca -0.29 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.19 3d6q s ALA 122 Cb 0.08 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 3d6q s ALA 122 CO 0.62 -1.00 -0.16 -1.54 0.00 0.00 0.00 175.76 173.68 3d6q s SER 123 N -2.89 1.96 0.00 0.00 1.04 -1.26 -0.31 113.70 112.24 3d6q s SER 123 Ca 0.12 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3d6q s SER 123 Cb 0.01 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.02 3d6q s SER 123 CO -0.01 0.03 0.05 1.33 0.98 0.00 0.00 173.24 175.62