#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d9p h ALA 3 N 0.00 1.42 0.04 0.62 0.00 -1.99 -2.28 119.26 117.08 3d9p h ALA 3 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 3d9p h ALA 3 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3d9p h ALA 3 CO 0.00 0.41 -1.06 0.28 0.00 0.00 0.00 179.25 178.87 3d9p h VAL 4 N 0.41 1.63 -0.12 0.00 2.07 -1.94 -2.47 116.25 115.83 3d9p h VAL 4 Ca 0.09 -3.25 0.03 0.00 0.82 0.00 0.00 66.70 64.39 3d9p h VAL 4 Cb 0.34 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.93 3d9p h VAL 4 CO 0.01 0.93 -0.06 0.11 0.02 0.00 0.00 177.57 178.59 3d9p h LYS 5 N 0.03 -0.05 -0.74 1.57 1.57 -1.93 0.35 116.57 117.37 3d9p h LYS 5 Ca -0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3d9p h LYS 5 Cb 1.81 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 34.09 3d9p h LYS 5 CO 0.15 -0.03 0.37 1.15 -0.57 0.00 0.00 179.45 180.53 3d9p h THR 6 N -0.05 1.23 -0.39 -0.16 2.02 -1.46 -1.01 112.91 113.10 3d9p h THR 6 Ca 0.07 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 3d9p h THR 6 Cb 0.15 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3d9p h THR 6 CO -0.15 0.27 0.11 0.15 0.37 0.00 0.00 175.52 176.27 3d9p h PHE 7 N 1.03 0.64 -0.22 3.16 3.57 -1.15 -1.57 116.94 122.40 3d9p h PHE 7 Ca 0.26 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.71 3d9p h PHE 7 Cb 0.09 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3d9p h PHE 7 CO 0.00 0.61 0.06 -0.91 -2.23 0.00 0.00 178.31 175.84 3d9p h ASN 8 N 0.49 0.05 -0.62 0.41 2.35 -0.07 0.91 115.58 119.10 3d9p h ASN 8 Ca 0.13 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 3d9p h ASN 8 Cb 0.27 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 3d9p h ASN 8 CO -0.00 0.06 0.14 0.77 -1.65 0.00 0.00 177.43 176.74 3d9p h SER 9 N 0.16 0.95 -0.45 5.81 4.64 -1.10 0.11 113.55 123.67 3d9p h SER 9 Ca 0.10 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.11 3d9p h SER 9 Cb 0.08 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 3d9p h SER 9 CO -0.12 0.95 0.00 -0.33 -0.87 0.00 0.00 176.83 176.46 3d9p h GLU 10 N 0.91 0.80 -0.06 4.77 5.08 -1.10 -0.34 114.58 124.65 3d9p h GLU 10 Ca 0.19 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3d9p h GLU 10 Cb 0.38 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3d9p h GLU 10 CO 0.00 0.86 0.04 1.25 -1.00 0.00 0.00 179.01 180.16 3d9p h LEU 11 N 0.65 0.07 -0.64 1.33 5.85 -0.64 -2.86 115.31 119.07 3d9p h LEU 11 Ca 0.13 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3d9p h LEU 11 Cb 0.49 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3d9p h LEU 11 CO 0.02 0.07 0.00 1.88 -0.34 0.00 0.00 178.44 180.07 3d9p h TYR 12 N 0.06 0.00 0.00 1.25 -1.99 -0.92 -2.43 116.97 112.95 3d9p h TYR 12 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3d9p h TYR 12 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 3d9p h TYR 12 CO -0.07 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 176.96 3d9p n SER 13 N -2.41 0.52 -0.22 3.88 3.41 -0.14 -2.21 113.62 116.45 3d9p n SER 13 Ca 0.03 0.70 0.15 0.00 -0.26 0.00 0.00 58.87 59.49 3d9p n SER 13 Cb 0.30 -0.78 0.47 0.00 -0.26 0.00 0.00 64.21 63.93 3d9p n SER 13 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3d9p h LEU 14 N 0.00 0.47 -2.34 1.04 3.38 -1.54 -0.84 115.31 115.49 3d9p h LEU 14 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3d9p h LEU 14 Cb 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3d9p h LEU 14 CO 0.00 0.23 0.14 0.78 0.09 0.00 0.00 178.44 179.68 3d9p h ASN 15 N 0.49 0.00 0.67 -0.43 4.21 -1.70 -1.20 115.58 117.62 3d9p h ASN 15 Ca 0.42 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.93 3d9p h ASN 15 Cb 0.90 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.10 3d9p h ASN 15 CO -0.16 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.45 3d9p n ASP 16 N -2.86 0.00 -4.28 5.81 8.00 -0.32 -4.90 116.55 118.00 3d9p n ASP 16 Ca -0.02 0.08 -0.26 0.00 0.71 0.00 0.00 54.79 55.29 3d9p n ASP 16 Cb 0.20 -0.35 -0.14 0.00 -0.02 0.00 0.00 41.12 40.80 3d9p n ASP 16 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3d9p s TYR 17 N -2.71 1.92 -0.22 1.24 2.02 -0.46 -5.12 117.35 114.03 3d9p s TYR 17 Ca 0.22 -0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 56.35 3d9p s TYR 17 Cb 0.19 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 3d9p s TYR 17 CO 0.45 0.12 0.55 0.21 -1.57 0.00 0.00 175.55 175.32 3d9p s LYS 18 N -1.32 4.16 0.78 -0.62 2.47 -1.26 -5.02 119.74 118.93 3d9p s LYS 18 Ca 0.08 0.45 -0.12 0.00 -1.56 0.00 0.00 55.97 54.82 3d9p s LYS 18 Cb -0.09 -3.59 0.07 0.00 -1.46 0.00 0.00 37.83 32.76 3d9p s LYS 18 CO 0.02 -0.23 1.14 -2.14 0.16 0.00 0.00 175.35 174.31 3d9p s PRO 19 N 1.89 1.96 0.36 4.03 0.02 -1.26 -4.59 135.00 137.41 3d9p s PRO 19 Ca 0.25 1.49 -0.26 0.00 0.02 0.00 0.00 61.00 62.49 3d9p s PRO 19 Cb -0.16 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 3d9p s PRO 19 CO 0.10 -1.92 1.15 -1.25 -0.33 0.00 0.00 177.00 174.74 3d9p s PRO 20 N -4.40 4.24 0.27 5.54 0.04 -1.26 -5.15 135.00 134.29 3d9p s PRO 20 Ca 0.68 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 3d9p s PRO 20 Cb -0.23 -2.82 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 3d9p s PRO 20 CO 0.51 -0.15 1.06 0.42 0.04 0.00 0.00 177.00 178.88 3d9p s ILE 21 N -1.36 3.62 0.35 0.56 -1.09 -1.26 -5.00 121.20 117.01 3d9p s ILE 21 Ca 0.53 1.63 -0.27 0.00 -2.23 0.00 0.00 60.65 60.31 3d9p s ILE 21 Cb -0.31 -4.03 -0.12 0.00 -1.58 0.00 0.00 42.46 36.42 3d9p s ILE 21 CO 0.39 0.39 1.13 -0.24 -1.23 0.00 0.00 174.94 175.37 3d9p n SER 22 N 1.24 1.90 -0.20 3.58 2.88 -1.26 -4.90 113.62 116.86 3d9p n SER 22 Ca -0.01 1.15 -0.06 0.00 -1.33 0.00 0.00 58.87 58.62 3d9p n SER 22 Cb 0.45 -1.39 0.04 0.00 -0.75 0.00 0.00 64.21 62.56 3d9p n SER 22 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3d9p h LYS 23 N 2.10 0.76 -0.91 -1.46 3.64 -1.99 -1.74 116.57 116.97 3d9p h LYS 23 Ca -0.43 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3d9p h LYS 23 Cb 1.32 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 3d9p h LYS 23 CO 0.60 0.50 0.56 0.00 -2.27 0.00 0.00 179.45 178.85 3d9p h ALA 24 N 1.22 1.27 -0.34 5.00 0.00 -1.99 0.76 119.26 125.18 3d9p h ALA 24 Ca 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3d9p h ALA 24 Cb -0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 3d9p h ALA 24 CO -0.05 0.63 -0.03 -0.22 0.00 0.00 0.00 179.25 179.59 3d9p h LYS 25 N 1.25 0.62 -0.92 0.00 1.63 -1.88 -0.15 116.57 117.12 3d9p h LYS 25 Ca 0.33 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 3d9p h LYS 25 Cb -0.07 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.46 3d9p h LYS 25 CO -0.06 0.76 0.59 0.52 -3.45 0.00 0.00 179.45 177.80 3d9p h MET 26 N 0.42 1.24 -0.15 1.90 2.86 -0.96 -1.58 114.93 118.66 3d9p h MET 26 Ca 0.09 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3d9p h MET 26 Cb 0.50 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3d9p h MET 26 CO 0.02 0.84 0.07 1.15 1.06 0.00 0.00 176.91 180.05 3d9p h THR 27 N 1.26 1.12 -0.26 2.22 2.02 -0.64 -1.43 112.91 117.20 3d9p h THR 27 Ca 0.34 -0.35 0.06 0.00 0.77 0.00 0.00 66.41 67.22 3d9p h THR 27 Cb -0.10 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 3d9p h THR 27 CO -0.07 0.11 -0.18 -0.61 0.37 0.00 0.00 175.52 175.15 3d9p h GLN 28 N 0.11 -0.15 -0.21 6.66 4.15 -0.79 0.49 115.11 125.38 3d9p h GLN 28 Ca 0.05 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.50 3d9p h GLN 28 Cb 0.12 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 3d9p h GLN 28 CO -0.01 -0.10 0.09 0.82 -1.93 0.00 0.00 178.83 177.70 3d9p h ILE 29 N -0.16 0.97 -0.25 2.39 2.04 -1.25 -1.97 117.51 119.30 3d9p h ILE 29 Ca 0.14 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.96 3d9p h ILE 29 Cb 0.38 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3d9p h ILE 29 CO -0.36 0.04 0.07 0.74 0.00 0.00 0.00 178.15 178.64 3d9p h THR 30 N 0.20 0.92 -0.47 -0.27 2.02 -0.90 -1.37 112.91 113.04 3d9p h THR 30 Ca 0.09 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 3d9p h THR 30 Cb 0.04 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3d9p h THR 30 CO -0.07 0.03 0.15 0.11 0.37 0.00 0.00 175.52 176.11 3d9p h LYS 31 N 0.18 0.69 -0.14 6.66 1.57 -0.77 -0.69 116.57 124.07 3d9p h LYS 31 Ca 0.11 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 3d9p h LYS 31 Cb 0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3d9p h LYS 31 CO -0.12 0.60 -0.41 0.00 -0.57 0.00 0.00 179.45 178.95 3d9p h ALA 32 N 1.49 1.05 -0.21 3.86 0.00 -1.07 0.60 119.26 124.98 3d9p h ALA 32 Ca 0.16 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3d9p h ALA 32 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3d9p h ALA 32 CO -0.01 0.60 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 3d9p h ALA 33 N 1.31 0.29 -0.33 0.00 0.00 -0.41 -2.64 119.26 117.48 3d9p h ALA 33 Ca 0.02 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 3d9p h ALA 33 Cb 0.84 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3d9p h ALA 33 CO 0.07 0.13 -0.38 0.82 0.00 0.00 0.00 179.25 179.89 3d9p h ILE 34 N 0.13 1.28 -0.90 0.00 2.04 -1.08 -2.29 117.51 116.69 3d9p h ILE 34 Ca 0.05 -1.55 0.08 0.00 1.00 0.00 0.00 64.86 64.44 3d9p h ILE 34 Cb 0.60 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 3d9p h ILE 34 CO 0.03 0.51 0.59 0.50 0.00 0.00 0.00 178.15 179.77 3d9p h LYS 35 N 0.64 0.93 -0.95 2.37 3.64 -0.94 -2.54 116.57 119.72 3d9p h LYS 35 Ca 0.06 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3d9p h LYS 35 Cb 0.93 -0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 32.48 3d9p h LYS 35 CO 0.09 0.61 0.14 0.00 -2.27 0.00 0.00 179.45 178.02 3d9p n ALA 36 N -2.40 3.34 0.29 5.00 0.00 -0.87 -4.60 120.51 121.26 3d9p n ALA 36 Ca 0.15 -0.86 0.18 0.00 0.00 0.00 0.00 53.44 52.91 3d9p n ALA 36 Cb 0.26 -1.11 0.98 0.00 0.00 0.00 0.00 19.45 19.58 3d9p n ALA 36 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3d9p h ILE 37 N 0.72 0.30 -0.33 0.00 2.10 -1.31 0.16 117.51 119.15 3d9p h ILE 37 Ca 0.14 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 66.05 3d9p h ILE 37 Cb 1.40 0.92 -0.02 0.00 -1.09 0.00 0.00 36.82 38.04 3d9p h ILE 37 CO 0.30 0.00 0.09 0.50 -1.08 0.00 0.00 178.15 177.96 3d9p h LYS 38 N 0.00 0.47 -1.39 2.19 3.64 -1.88 -2.99 116.57 116.62 3d9p h LYS 38 Ca 0.02 -0.07 -0.65 0.00 -1.27 0.00 0.00 60.65 58.68 3d9p h LYS 38 Cb 0.20 -0.09 -0.35 0.00 -0.41 0.00 0.00 32.23 31.58 3d9p h LYS 38 CO -0.00 0.43 0.09 1.19 -2.27 0.00 0.00 179.45 178.89 3d9p n PHE 39 N -4.37 3.12 -0.05 1.91 3.72 0.54 -4.81 117.46 117.53 3d9p n PHE 39 Ca 0.02 -2.69 -0.00 0.00 -0.05 0.00 0.00 57.45 54.73 3d9p n PHE 39 Cb 0.17 -0.73 0.28 0.00 -0.94 0.00 0.00 39.48 38.27 3d9p n PHE 39 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 3d9p h TYR 40 N 2.50 0.64 -0.83 1.38 -0.00 -1.51 -1.30 116.97 117.85 3d9p h TYR 40 Ca 0.45 -0.05 0.00 0.00 -0.00 0.00 0.00 58.73 59.14 3d9p h TYR 40 Cb 0.77 -0.19 -0.04 0.00 -0.00 0.00 0.00 36.73 37.27 3d9p h TYR 40 CO 1.05 0.55 0.54 0.87 -0.00 0.00 0.00 178.16 181.17 3d9p h LYS 41 N 0.62 1.10 -0.43 0.10 1.57 -1.89 0.32 116.57 117.96 3d9p h LYS 41 Ca 0.14 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 3d9p h LYS 41 Cb 0.24 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3d9p h LYS 41 CO -0.00 0.74 -0.07 0.45 -0.57 0.00 0.00 179.45 180.00 3d9p h HIS 42 N 1.13 0.89 -0.07 -1.35 3.86 -1.77 -1.34 115.15 116.51 3d9p h HIS 42 Ca 0.30 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3d9p h HIS 42 Cb -0.11 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.12 3d9p h HIS 42 CO -0.01 0.90 -0.05 0.28 0.86 0.00 0.00 177.93 179.90 3d9p h VAL 43 N 0.63 0.84 -0.34 2.45 2.07 -0.93 -0.82 116.25 120.15 3d9p h VAL 43 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 3d9p h VAL 43 Cb 0.59 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3d9p h VAL 43 CO 0.04 0.00 0.18 0.58 0.02 0.00 0.00 177.57 178.39 3d9p h VAL 44 N -0.07 1.01 -0.76 2.57 2.07 -0.88 -2.32 116.25 117.87 3d9p h VAL 44 Ca 0.05 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.47 3d9p h VAL 44 Cb 0.13 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3d9p h VAL 44 CO -0.11 0.07 0.47 -0.61 0.02 0.00 0.00 177.57 177.42 3d9p h GLN 45 N 0.38 0.89 -0.66 1.57 4.15 -1.00 -1.28 115.11 119.15 3d9p h GLN 45 Ca 0.14 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.43 3d9p h GLN 45 Cb 0.03 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 3d9p h GLN 45 CO -0.08 0.59 0.10 0.77 -1.93 0.00 0.00 178.83 178.27 3d9p h SER 46 N 0.91 1.06 -0.29 -0.69 0.02 -0.97 -0.97 113.55 112.62 3d9p h SER 46 Ca 0.31 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3d9p h SER 46 Cb 0.05 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3d9p h SER 46 CO -0.12 1.05 0.02 0.58 -1.14 0.00 0.00 176.83 177.23 3d9p h VAL 47 N 1.03 1.25 -0.86 2.27 2.07 -0.99 -1.32 116.25 119.70 3d9p h VAL 47 Ca 0.20 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 3d9p h VAL 47 Cb 0.45 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3d9p h VAL 47 CO 0.01 0.28 0.42 -0.33 0.02 0.00 0.00 177.57 177.98 3d9p h GLU 48 N 0.31 1.23 -0.28 1.57 5.08 -1.14 -1.40 114.58 119.95 3d9p h GLU 48 Ca 0.09 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 3d9p h GLU 48 Cb 0.39 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3d9p h GLU 48 CO 0.01 0.94 -0.36 0.87 -1.00 0.00 0.00 179.01 179.46 3d9p h LYS 49 N 1.22 0.63 -0.19 2.33 1.57 -1.08 -0.97 116.57 120.07 3d9p h LYS 49 Ca 0.30 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3d9p h LYS 49 Cb 0.11 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3d9p h LYS 49 CO -0.04 0.89 0.10 0.35 -0.57 0.00 0.00 179.45 180.18 3d9p h PHE 50 N 0.52 0.27 -0.72 -1.35 3.57 -0.91 -1.41 116.94 116.92 3d9p h PHE 50 Ca 0.05 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3d9p h PHE 50 Cb 0.87 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 3d9p h PHE 50 CO 0.04 0.27 0.37 0.82 -2.23 0.00 0.00 178.31 177.58 3d9p h ILE 51 N 0.19 1.22 -0.43 1.41 2.04 -1.14 0.94 117.51 121.74 3d9p h ILE 51 Ca 0.07 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 3d9p h ILE 51 Cb 0.10 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3d9p h ILE 51 CO -0.01 0.25 -0.01 -0.61 0.00 0.00 0.00 178.15 177.77 3d9p h GLN 52 N 1.00 0.76 0.00 2.37 4.15 -0.93 -3.35 115.11 119.11 3d9p h GLN 52 Ca 0.25 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3d9p h GLN 52 Cb 0.06 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3d9p h GLN 52 CO -0.04 0.84 -1.27 1.63 -1.93 0.00 0.00 178.83 178.06 3d9p n LYS 53 N -4.40 0.23 -1.48 1.69 4.76 -0.55 -5.01 118.16 113.39 3d9p n LYS 53 Ca -0.00 -0.06 -0.32 0.00 -2.87 0.00 0.00 58.31 55.06 3d9p n LYS 53 Cb 0.30 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.06 3d9p n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d9p s LYS 55 N -4.66 2.02 0.38 0.00 1.02 -1.26 -4.92 119.74 112.33 3d9p s LYS 55 Ca 0.62 1.79 0.15 0.00 0.02 0.00 0.00 55.97 58.55 3d9p s LYS 55 Cb -0.18 -1.82 1.01 0.00 -0.52 0.00 0.00 37.83 36.33 3d9p s LYS 55 CO 0.51 -1.93 1.80 -1.35 -0.92 0.00 0.00 175.35 173.46 3d9p h PRO 56 N -0.40 0.47 0.00 -1.68 0.11 -1.96 -1.75 132.00 126.79 3d9p h PRO 56 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3d9p h PRO 56 Cb 1.30 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3d9p h PRO 56 CO 0.49 0.31 0.00 1.05 -0.21 0.00 0.00 178.00 179.64 3d9p h GLU 57 N 0.49 0.00 -0.24 1.05 4.11 -1.92 -2.63 114.58 115.44 3d9p h GLU 57 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 3d9p h GLU 57 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3d9p h GLU 57 CO -0.28 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.46 3d9p n TYR 58 N -2.91 0.30 0.35 2.06 4.01 -0.66 -4.47 117.16 115.84 3d9p n TYR 58 Ca -0.02 -0.16 -0.18 0.00 -0.16 0.00 0.00 57.90 57.38 3d9p n TYR 58 Cb 0.10 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.04 3d9p n TYR 58 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3d9p h LYS 59 N 4.24 -0.83 -0.14 -0.72 1.79 -1.57 0.24 116.57 119.58 3d9p h LYS 59 Ca 0.00 0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 3d9p h LYS 59 Cb 0.93 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 3d9p h LYS 59 CO 0.00 -0.55 0.05 0.28 -1.08 0.00 0.00 179.45 178.15 3d9p h VAL 60 N -0.86 0.97 -0.80 0.50 2.07 -1.80 -1.38 116.25 114.95 3d9p h VAL 60 Ca -0.09 -0.04 0.17 0.00 0.82 0.00 0.00 66.70 67.56 3d9p h VAL 60 Cb 0.66 0.84 -0.15 0.00 -1.52 0.00 0.00 31.29 31.12 3d9p h VAL 60 CO 0.14 0.02 -0.11 -0.65 0.02 0.00 0.00 177.57 176.99 3d9p h PRO 61 N 0.13 0.03 -0.77 1.57 0.11 -1.79 0.85 132.00 132.13 3d9p h PRO 61 Ca 0.06 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.24 3d9p h PRO 61 Cb 0.03 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.07 3d9p h PRO 61 CO -0.06 0.02 0.45 0.78 -0.21 0.00 0.00 178.00 178.98 3d9p h GLY 62 N 0.03 1.16 1.02 -0.55 0.00 -0.30 -0.64 103.07 103.80 3d9p h GLY 62 Ca 0.41 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 3d9p h GLY 62 CO -0.78 0.18 0.08 -2.00 0.00 0.00 0.00 176.54 174.03 3d9p h LEU 63 N 0.81 0.91 -1.83 3.11 5.85 -0.20 -2.49 115.31 121.47 3d9p h LEU 63 Ca 0.35 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3d9p h LEU 63 Cb 0.23 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3d9p h LEU 63 CO -0.20 0.94 -0.06 1.88 -0.34 0.00 0.00 178.44 180.67 3d9p h TYR 64 N 0.84 0.03 -0.29 1.25 0.05 -0.39 -0.02 116.97 118.45 3d9p h TYR 64 Ca 0.17 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.92 3d9p h TYR 64 Cb 0.43 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 3d9p h TYR 64 CO 0.03 0.09 0.07 0.28 -1.05 0.00 0.00 178.16 177.58 3d9p h VAL 65 N 0.03 1.22 0.11 -2.88 2.07 -0.69 0.11 116.25 116.21 3d9p h VAL 65 Ca 0.01 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3d9p h VAL 65 Cb 0.13 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3d9p h VAL 65 CO 0.01 0.24 -0.05 0.40 0.02 0.00 0.00 177.57 178.18 3d9p h ILE 66 N 0.30 0.90 -0.21 4.57 2.04 -1.06 -1.25 117.51 122.79 3d9p h ILE 66 Ca 0.09 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.98 3d9p h ILE 66 Cb 0.29 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3d9p h ILE 66 CO 0.00 0.00 -0.13 -0.78 0.00 0.00 0.00 178.15 177.24 3d9p h ASP 67 N -0.16 -0.43 -0.70 1.72 3.58 -0.99 -0.11 116.42 119.34 3d9p h ASP 67 Ca -0.02 0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.57 3d9p h ASP 67 Cb 0.12 0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.35 3d9p h ASP 67 CO 0.02 -0.17 0.43 0.28 -2.88 0.00 0.00 179.24 176.93 3d9p h SER 68 N -0.12 0.70 0.01 2.28 0.02 -0.62 -1.76 113.55 114.05 3d9p h SER 68 Ca 0.12 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3d9p h SER 68 Cb 0.30 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3d9p h SER 68 CO -0.29 0.48 -0.00 0.40 -1.14 0.00 0.00 176.83 176.28 3d9p h ILE 69 N 0.83 1.30 -0.66 3.27 2.04 -0.85 -2.07 117.51 121.37 3d9p h ILE 69 Ca 0.29 -0.91 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 3d9p h ILE 69 Cb 0.05 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3d9p h ILE 69 CO -0.12 0.23 0.14 -0.37 0.00 0.00 0.00 178.15 178.03 3d9p h VAL 70 N -0.40 1.26 -0.38 1.67 -1.51 -0.95 -0.17 116.25 115.77 3d9p h VAL 70 Ca -0.00 -0.97 -0.06 0.00 -1.23 0.00 0.00 66.70 64.43 3d9p h VAL 70 Cb 0.39 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 3d9p h VAL 70 CO 0.00 0.37 -0.01 0.03 -1.23 0.00 0.00 177.57 176.73 3d9p h ARG 71 N 1.00 0.68 -0.49 5.19 2.47 -1.34 -0.86 114.38 121.04 3d9p h ARG 71 Ca 0.21 -0.22 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 3d9p h ARG 71 Cb 0.39 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 3d9p h ARG 71 CO 0.01 0.79 0.12 0.37 0.56 0.00 0.00 179.97 181.81 3d9p h GLN 72 N 0.50 0.78 -0.51 0.04 5.75 -1.25 -0.99 115.11 119.44 3d9p h GLN 72 Ca 0.11 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.37 3d9p h GLN 72 Cb 0.49 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 3d9p h GLN 72 CO 0.02 0.76 0.14 1.03 -2.65 0.00 0.00 178.83 178.13 3d9p h SER 73 N 0.67 0.76 -0.53 -0.69 0.87 -0.90 0.15 113.55 113.88 3d9p h SER 73 Ca 0.15 -0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.38 3d9p h SER 73 Cb 0.33 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3d9p h SER 73 CO 0.00 0.79 -0.10 0.03 -0.53 0.00 0.00 176.83 177.02 3d9p h ARG 74 N 0.70 1.01 -0.35 2.24 3.08 -1.14 -0.02 114.38 119.90 3d9p h ARG 74 Ca 0.16 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3d9p h ARG 74 Cb 0.31 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3d9p h ARG 74 CO -0.00 1.05 0.21 1.25 -1.07 0.00 0.00 179.97 181.41 3d9p h HIS 75 N 0.88 0.46 0.18 3.04 2.76 -0.92 -1.49 115.15 120.06 3d9p h HIS 75 Ca 0.14 -0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.00 3d9p h HIS 75 Cb 0.67 -0.15 0.02 0.00 1.55 0.00 0.00 27.41 29.49 3d9p h HIS 75 CO 0.05 0.34 -1.37 0.37 -1.30 0.00 0.00 177.93 176.02 3d9p h GLN 76 N 0.45 0.39 -0.00 5.26 4.15 -0.58 -3.38 115.11 121.40 3d9p h GLN 76 Ca 0.12 -0.66 0.00 0.00 0.77 0.00 0.00 58.65 58.88 3d9p h GLN 76 Cb 0.01 0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3d9p h GLN 76 CO -0.02 1.31 -0.37 1.19 -1.93 0.00 0.00 178.83 179.02 3d9p n PHE 77 N -3.61 0.00 0.00 3.99 3.72 -0.03 -5.08 117.46 116.45 3d9p n PHE 77 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3d9p n PHE 77 Cb 1.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 3d9p n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d9p n GLY 78 N 1.17 2.32 0.35 1.37 0.00 -0.56 -4.44 105.19 105.40 3d9p n GLY 78 Ca 0.02 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.34 3d9p n GLY 78 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d9p h GLN 79 N 0.00 1.18 0.00 1.61 4.20 -1.87 -1.14 115.11 119.09 3d9p h GLN 79 Ca 0.00 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3d9p h GLN 79 Cb 0.00 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.56 3d9p h GLN 79 CO 0.00 0.90 -0.32 0.39 -0.67 0.00 0.00 178.83 179.12 3d9p n GLU 80 N -4.32 0.16 -0.01 1.46 -0.58 -1.26 -3.77 120.64 112.33 3d9p n GLU 80 Ca 0.08 0.08 0.10 0.00 -0.42 0.00 0.00 57.16 57.00 3d9p n GLU 80 Cb 0.13 -1.63 -0.15 0.00 -0.57 0.00 0.00 31.44 29.22 3d9p n GLU 80 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3d9p n LYS 81 N -1.88 0.59 -1.65 3.49 4.76 -0.97 -4.96 118.16 117.54 3d9p n LYS 81 Ca 0.05 -0.15 -0.47 0.00 -2.87 0.00 0.00 58.31 54.88 3d9p n LYS 81 Cb 0.39 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 32.07 3d9p n LYS 81 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3d9p n ASP 82 N -2.05 2.53 0.02 4.39 2.03 -0.47 -4.89 116.55 118.11 3d9p n ASP 82 Ca -0.02 1.12 0.05 0.00 0.52 0.00 0.00 54.79 56.46 3d9p n ASP 82 Cb 0.48 -1.37 -0.10 0.00 -0.72 0.00 0.00 41.12 39.41 3d9p n ASP 82 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3d9p n VAL 83 N 2.37 0.69 -0.03 5.18 0.24 -1.26 -4.63 118.33 120.88 3d9p n VAL 83 Ca 0.14 -0.62 -0.13 0.00 -2.04 0.00 0.00 64.34 61.69 3d9p n VAL 83 Cb 0.28 -0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 32.19 3d9p n VAL 83 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 3d9p h PHE 84 N 0.00 0.10 0.12 6.34 0.04 -1.95 -2.66 116.94 118.93 3d9p h PHE 84 Ca -0.13 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 3d9p h PHE 84 Cb 1.35 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 3d9p h PHE 84 CO 0.00 0.65 -0.09 0.00 -0.60 0.00 0.00 178.31 178.27 3d9p h ALA 85 N 0.43 -0.20 -0.97 2.45 0.00 -1.91 0.46 119.26 119.53 3d9p h ALA 85 Ca -0.00 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3d9p h ALA 85 Cb 0.65 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 3d9p h ALA 85 CO 0.01 -0.62 0.62 -1.35 0.00 0.00 0.00 179.25 177.91 3d9p h PRO 86 N -0.22 0.99 -0.17 0.00 0.11 -1.82 0.25 132.00 131.13 3d9p h PRO 86 Ca -0.00 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 3d9p h PRO 86 Cb 0.19 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3d9p h PRO 86 CO -0.01 0.65 -0.11 -0.09 -0.21 0.00 0.00 178.00 178.24 3d9p h ARG 87 N 1.02 0.38 -0.41 1.05 9.65 -1.15 -2.99 114.38 121.93 3d9p h ARG 87 Ca 0.45 -0.18 0.09 0.00 -1.10 0.00 0.00 59.98 59.24 3d9p h ARG 87 Cb 0.37 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 3d9p h ARG 87 CO -0.21 0.71 0.28 0.74 2.80 0.00 0.00 179.97 184.29 3d9p h PHE 88 N 0.05 0.17 -0.03 2.20 0.04 -0.52 -2.81 116.94 116.04 3d9p h PHE 88 Ca 0.03 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.82 3d9p h PHE 88 Cb 0.61 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 3d9p h PHE 88 CO 0.07 0.09 0.02 0.77 -0.60 0.00 0.00 178.31 178.66 3d9p h SER 89 N 0.17 0.00 -0.23 2.17 0.02 -0.80 -2.58 113.55 112.30 3d9p h SER 89 Ca 0.19 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 3d9p h SER 89 Cb 0.52 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 3d9p h SER 89 CO -0.03 0.00 -0.03 0.78 -1.14 0.00 0.00 176.83 176.42 3d9p h ASN 90 N 0.00 -0.15 -0.35 3.07 2.35 -1.55 -3.08 115.58 115.88 3d9p h ASN 90 Ca 0.02 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3d9p h ASN 90 Cb 0.06 0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3d9p h ASN 90 CO -0.00 -0.04 0.00 0.59 -1.65 0.00 0.00 177.43 176.33 3d9p n ASN 91 N -5.18 3.37 0.12 5.81 3.02 -1.21 -4.77 115.26 116.42 3d9p n ASN 91 Ca -0.02 -2.35 0.11 0.00 -0.03 0.00 0.00 54.58 52.29 3d9p n ASN 91 Cb 0.13 -0.36 0.61 0.00 -0.61 0.00 0.00 39.78 39.56 3d9p n ASN 91 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3d9p h ILE 92 N 2.13 0.92 -0.15 2.41 6.09 -1.36 -0.83 117.51 126.72 3d9p h ILE 92 Ca 0.00 -0.04 -0.02 0.00 -1.37 0.00 0.00 64.86 63.44 3d9p h ILE 92 Cb 1.01 0.80 -0.01 0.00 0.47 0.00 0.00 36.82 39.10 3d9p h ILE 92 CO 0.09 0.02 0.04 0.40 -3.07 0.00 0.00 178.15 175.62 3d9p h ILE 93 N 0.11 1.20 -0.60 2.19 1.08 -1.86 -1.40 117.51 118.24 3d9p h ILE 93 Ca 0.12 -0.64 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 3d9p h ILE 93 Cb 0.34 1.34 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 3d9p h ILE 93 CO -0.01 0.19 0.31 -1.28 -0.69 0.00 0.00 178.15 176.67 3d9p h SER 94 N 0.05 0.75 -0.35 1.72 0.87 -1.61 -1.75 113.55 113.23 3d9p h SER 94 Ca 0.05 -0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.55 3d9p h SER 94 Cb 0.27 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 3d9p h SER 94 CO 0.00 0.64 0.07 0.74 -0.53 0.00 0.00 176.83 177.76 3d9p h THR 95 N 0.81 0.82 -0.07 2.23 2.02 -1.00 -1.72 112.91 116.00 3d9p h THR 95 Ca 0.21 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.22 3d9p h THR 95 Cb 0.07 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3d9p h THR 95 CO -0.03 0.04 -0.42 -0.26 0.37 0.00 0.00 175.52 175.21 3d9p h PHE 96 N 0.19 0.18 -0.41 3.16 -1.00 -1.11 0.53 116.94 118.49 3d9p h PHE 96 Ca 0.17 -0.05 0.07 0.00 2.81 0.00 0.00 57.97 60.97 3d9p h PHE 96 Cb 0.19 -0.04 -0.06 0.00 3.61 0.00 0.00 35.95 39.65 3d9p h PHE 96 CO -0.19 0.56 0.03 1.96 -1.61 0.00 0.00 178.31 179.06 3d9p h GLN 97 N 0.13 0.14 -0.47 1.51 4.20 -0.82 -1.30 115.11 118.50 3d9p h GLN 97 Ca 0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3d9p h GLN 97 Cb 0.80 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 3d9p h GLN 97 CO 0.06 0.09 0.20 -0.91 -0.67 0.00 0.00 178.83 177.60 3d9p h ASN 98 N 0.14 0.64 -0.64 1.46 2.35 -0.80 -3.17 115.58 115.56 3d9p h ASN 98 Ca 0.20 -0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3d9p h ASN 98 Cb 0.27 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3d9p h ASN 98 CO -0.31 0.62 0.42 -0.07 -1.65 0.00 0.00 177.43 176.44 3d9p h LEU 99 N 0.61 0.70 0.00 1.61 3.38 -0.55 -2.34 115.31 118.73 3d9p h LEU 99 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3d9p h LEU 99 Cb 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3d9p h LEU 99 CO -0.01 0.50 0.00 -1.22 0.09 0.00 0.00 178.44 177.79 3d9p n TYR 100 N -4.45 0.00 -0.00 1.13 4.01 -0.52 -2.43 117.16 114.89 3d9p n TYR 100 Ca 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.80 3d9p n TYR 100 Cb 0.08 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.28 3d9p n TYR 100 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3d9p n ARG 101 N -0.76 2.56 -2.21 -0.72 1.74 -0.88 -4.93 116.66 111.46 3d9p n ARG 101 Ca 0.11 -1.56 -0.27 0.00 -0.77 0.00 0.00 57.85 55.35 3d9p n ARG 101 Cb 0.05 -1.80 0.05 0.00 -1.02 0.00 0.00 32.46 29.74 3d9p n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d9p n PRO 103 N -2.80 1.58 -0.16 0.00 -0.02 -1.26 -4.85 135.00 127.48 3d9p n PRO 103 Ca 0.06 0.58 0.23 0.00 -2.02 0.00 0.00 63.50 62.35 3d9p n PRO 103 Cb 0.58 -2.43 0.64 0.00 -0.02 0.00 0.00 33.50 32.28 3d9p n PRO 103 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3d9p h GLY 104 N 1.41 0.29 2.00 -1.23 0.00 -1.95 0.28 103.07 103.86 3d9p h GLY 104 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3d9p h GLY 104 CO 0.57 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.33 3d9p n ASP 105 N -4.37 0.39 0.02 0.19 8.00 -1.26 -3.05 116.55 116.46 3d9p n ASP 105 Ca 0.17 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.34 3d9p n ASP 105 Cb 0.79 -0.65 0.15 0.00 -0.02 0.00 0.00 41.12 41.39 3d9p n ASP 105 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3d9p n ASP 106 N -1.88 0.60 -0.19 -2.24 9.92 0.97 -4.32 116.55 119.40 3d9p n ASP 106 Ca 0.05 -0.20 0.04 0.00 -0.53 0.00 0.00 54.79 54.15 3d9p n ASP 106 Cb 0.32 0.41 0.31 0.00 -0.64 0.00 0.00 41.12 41.52 3d9p n ASP 106 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3d9p h LYS 107 N 0.00 0.83 -0.15 -1.24 1.57 -1.54 -1.93 116.57 114.11 3d9p h LYS 107 Ca 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3d9p h LYS 107 Cb 0.62 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3d9p h LYS 107 CO 0.00 0.55 -0.02 0.66 -0.57 0.00 0.00 179.45 180.07 3d9p h SER 108 N 0.86 0.19 0.01 0.86 4.64 -1.81 -2.49 113.55 115.81 3d9p h SER 108 Ca 0.29 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.48 3d9p h SER 108 Cb 0.10 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3d9p h SER 108 CO -0.09 0.26 -0.35 0.11 -0.87 0.00 0.00 176.83 175.89 3d9p h LYS 109 N 0.21 0.47 -0.10 4.77 1.57 -1.62 -2.26 116.57 119.60 3d9p h LYS 109 Ca 0.05 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3d9p h LYS 109 Cb 0.19 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3d9p h LYS 109 CO 0.01 0.76 -0.06 0.82 -0.57 0.00 0.00 179.45 180.41 3d9p h ILE 110 N 0.40 1.33 -0.84 1.86 2.04 -1.42 -3.03 117.51 117.84 3d9p h ILE 110 Ca 0.04 -1.10 0.08 0.00 1.00 0.00 0.00 64.86 64.88 3d9p h ILE 110 Cb 0.80 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 38.65 3d9p h ILE 110 CO 0.07 0.31 0.51 0.58 0.00 0.00 0.00 178.15 179.61 3d9p h VAL 111 N -0.14 0.98 -0.26 1.67 2.07 -1.46 -2.02 116.25 117.09 3d9p h VAL 111 Ca 0.02 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3d9p h VAL 111 Cb 0.52 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3d9p h VAL 111 CO 0.02 0.16 0.05 0.74 0.02 0.00 0.00 177.57 178.55 3d9p h THR 112 N 0.89 0.88 -0.18 2.57 2.02 -1.43 0.42 112.91 118.07 3d9p h THR 112 Ca 0.39 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.55 3d9p h THR 112 Cb 0.26 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3d9p h THR 112 CO -0.21 0.03 -0.04 0.58 0.37 0.00 0.00 175.52 176.25 3d9p h VAL 113 N 0.14 0.83 -0.53 3.16 2.07 -1.35 -1.72 116.25 118.85 3d9p h VAL 113 Ca 0.12 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.67 3d9p h VAL 113 Cb 0.12 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3d9p h VAL 113 CO -0.16 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.66 3d9p h LEU 114 N 0.01 0.45 -0.95 2.57 3.38 -1.11 0.10 115.31 119.77 3d9p h LEU 114 Ca 0.09 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3d9p h LEU 114 Cb 0.13 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3d9p h LEU 114 CO -0.18 0.31 0.62 0.78 0.09 0.00 0.00 178.44 180.06 3d9p h ASN 115 N 0.58 1.05 -0.29 -0.43 2.35 -0.70 0.16 115.58 118.30 3d9p h ASN 115 Ca 0.23 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.79 3d9p h ASN 115 Cb 0.09 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 3d9p h ASN 115 CO -0.13 0.73 -0.46 -0.07 -1.65 0.00 0.00 177.43 175.85 3d9p h LEU 116 N 1.23 0.93 -0.81 1.61 3.38 -0.80 -1.82 115.31 119.03 3d9p h LEU 116 Ca 0.37 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3d9p h LEU 116 Cb -0.05 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 3d9p h LEU 116 CO -0.10 1.24 0.52 -0.50 0.09 0.00 0.00 178.44 179.69 3d9p h TRP 117 N 0.68 0.97 -0.14 1.13 6.55 -0.44 -1.89 115.95 122.81 3d9p h TRP 117 Ca 0.04 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.90 3d9p h TRP 117 Cb 1.05 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 29.02 3d9p h TRP 117 CO 0.06 0.55 0.06 0.37 -1.05 0.00 0.00 178.44 178.44 3d9p h GLN 118 N 1.00 0.21 -0.82 0.49 4.15 -0.83 0.02 115.11 119.33 3d9p h GLN 118 Ca 0.33 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 3d9p h GLN 118 Cb 0.02 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 3d9p h GLN 118 CO -0.12 0.28 0.42 -0.22 -1.93 0.00 0.00 178.83 177.26 3d9p h LYS 119 N 0.09 1.15 -0.12 1.69 3.11 -1.18 -2.95 116.57 118.36 3d9p h LYS 119 Ca 0.05 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 3d9p h LYS 119 Cb 0.14 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.16 3d9p h LYS 119 CO -0.01 0.86 0.00 0.09 -2.81 0.00 0.00 179.45 177.59 3d9p n ASN 120 N -4.33 1.96 -3.73 4.20 4.13 -0.72 -4.97 115.26 111.80 3d9p n ASN 120 Ca 0.08 -1.70 -0.24 0.00 1.68 0.00 0.00 54.58 54.40 3d9p n ASN 120 Cb 0.12 -0.07 0.04 0.00 -1.54 0.00 0.00 39.78 38.33 3d9p n ASN 120 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3d9p n ASN 121 N 0.52 -3.16 0.09 6.41 5.03 -0.24 -4.88 115.26 119.03 3d9p n ASN 121 Ca 0.17 -0.75 -0.06 0.00 0.87 0.00 0.00 54.58 54.81 3d9p n ASN 121 Cb 0.40 -4.24 0.01 0.00 -1.02 0.00 0.00 39.78 34.93 3d9p n ASN 121 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3d9p h VAL 122 N -2.06 1.54 -2.91 2.41 2.07 -1.37 -3.44 116.25 112.50 3d9p h VAL 122 Ca -0.59 -2.68 -0.44 0.00 0.82 0.00 0.00 66.70 63.80 3d9p h VAL 122 Cb 1.36 2.47 -0.14 0.00 -1.52 0.00 0.00 31.29 33.46 3d9p h VAL 122 CO 0.59 0.77 -0.71 -0.36 0.02 0.00 0.00 177.57 177.89 3d9p s PHE 123 N -3.20 1.71 0.76 1.57 0.08 -1.26 -4.91 117.98 112.73 3d9p s PHE 123 Ca -0.01 -0.65 -0.12 0.00 0.12 0.00 0.00 56.93 56.26 3d9p s PHE 123 Cb 0.11 -0.87 0.05 0.00 -0.57 0.00 0.00 43.02 41.74 3d9p s PHE 123 CO 0.81 0.28 1.12 0.15 -0.10 0.00 0.00 175.22 177.48 3d9p s LYS 124 N -3.69 2.19 0.22 0.44 -0.14 -1.26 -4.78 119.74 112.71 3d9p s LYS 124 Ca 0.24 1.39 -0.09 0.00 -1.36 0.00 0.00 55.97 56.15 3d9p s LYS 124 Cb 0.01 -1.87 0.18 0.00 -1.68 0.00 0.00 37.83 34.46 3d9p s LYS 124 CO 0.08 -1.72 1.88 0.77 -0.76 0.00 0.00 175.35 175.59 3d9p h SER 125 N -0.78 0.95 0.16 2.83 0.02 -1.98 -1.33 113.55 113.41 3d9p h SER 125 Ca -0.45 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3d9p h SER 125 Cb 1.25 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3d9p h SER 125 CO 0.50 0.71 0.00 -1.84 -1.14 0.00 0.00 176.83 175.07 3d9p n GLU 126 N -4.49 0.58 -0.14 3.45 0.28 -1.26 -0.72 120.64 118.33 3d9p n GLU 126 Ca 0.08 0.03 -0.28 0.00 -0.16 0.00 0.00 57.16 56.83 3d9p n GLU 126 Cb 0.04 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.30 3d9p n GLU 126 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3d9p n ILE 127 N -1.11 1.52 -0.17 3.84 5.41 -0.81 -4.48 119.36 123.57 3d9p n ILE 127 Ca 0.15 -0.41 -0.08 0.00 1.00 0.00 0.00 62.75 63.40 3d9p n ILE 127 Cb 0.12 -1.81 0.01 0.00 -0.71 0.00 0.00 39.64 37.24 3d9p n ILE 127 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3d9p h ILE 128 N -0.84 1.21 0.05 1.39 1.08 -0.97 -3.09 117.51 116.34 3d9p h ILE 128 Ca -0.68 -0.65 0.01 0.00 -0.39 0.00 0.00 64.86 63.14 3d9p h ILE 128 Cb 1.66 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 3d9p h ILE 128 CO -0.37 0.24 -0.12 -0.61 -0.69 0.00 0.00 178.15 176.60 3d9p h GLN 129 N 0.63 -0.22 -0.27 2.37 5.75 -1.18 -0.71 115.11 121.47 3d9p h GLN 129 Ca 0.16 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 3d9p h GLN 129 Cb 0.20 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 3d9p h GLN 129 CO -0.01 -0.15 0.14 -1.00 -2.65 0.00 0.00 178.83 175.16 3d9p h PRO 130 N -0.23 0.37 -0.51 -2.39 0.13 -1.78 0.45 132.00 128.04 3d9p h PRO 130 Ca 0.03 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 3d9p h PRO 130 Cb 0.25 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.28 3d9p h PRO 130 CO -0.08 0.28 0.05 -0.07 -0.23 0.00 0.00 178.00 177.95 3d9p h LEU 131 N 0.37 0.84 -0.68 1.56 3.38 -1.33 -0.26 115.31 119.20 3d9p h LEU 131 Ca 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3d9p h LEU 131 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3d9p h LEU 131 CO -0.02 0.91 0.43 -0.07 0.09 0.00 0.00 178.44 179.78 3d9p h LEU 132 N 0.75 0.80 -0.62 1.67 3.38 -0.83 -2.61 115.31 117.83 3d9p h LEU 132 Ca 0.15 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3d9p h LEU 132 Cb 0.45 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3d9p h LEU 132 CO 0.02 0.60 0.39 0.44 0.09 0.00 0.00 178.44 179.98 3d9p h ASP 133 N 0.92 0.63 -0.52 -0.43 3.32 -0.51 -1.85 116.42 117.99 3d9p h ASP 133 Ca 0.24 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.34 3d9p h ASP 133 Cb -0.06 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 3d9p h ASP 133 CO -0.05 0.44 0.25 0.24 -1.72 0.00 0.00 179.24 178.41 3d9p h MET 134 N 0.76 0.47 -0.40 3.56 2.86 -0.96 0.11 114.93 121.33 3d9p h MET 134 Ca 0.25 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.93 3d9p h MET 134 Cb 0.01 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.50 3d9p h MET 134 CO -0.10 0.31 0.05 0.00 1.06 0.00 0.00 176.91 178.23 3d9p h ALA 135 N 1.29 0.41 0.00 6.32 0.00 -1.13 -2.89 119.26 123.26 3d9p h ALA 135 Ca 0.23 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 3d9p h ALA 135 Cb 0.16 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3d9p h ALA 135 CO -0.18 -0.35 -0.39 0.00 0.00 0.00 0.00 179.25 178.33 3d9p h ALA 136 N 1.32 1.08 0.00 0.00 0.00 -0.85 -1.12 119.26 119.69 3d9p h ALA 136 Ca 0.20 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3d9p h ALA 136 Cb 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3d9p h ALA 136 CO -0.29 0.49 -0.25 0.00 0.00 0.00 0.00 179.25 179.21 3d9p h ALA 137 N 1.61 1.07 0.00 0.00 0.00 -0.59 -3.25 119.26 118.10 3d9p h ALA 137 Ca -0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3d9p h ALA 137 Cb 0.84 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3d9p h ALA 137 CO 0.05 0.31 -0.78 1.28 0.00 0.00 0.00 179.25 180.11 3d9p n LEU 138 N -3.50 1.83 0.00 0.00 4.77 -1.12 -5.10 117.00 113.88 3d9p n LEU 138 Ca -0.00 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3d9p n LEU 138 Cb 0.41 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3d9p n LEU 138 CO 0.34 -0.21 0.00 -0.62 -1.33 0.00 0.00 177.39 175.57