#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnv n THR 2 N 0.00 0.00 -3.64 3.17 5.66 -1.26 -4.75 114.28 113.47 1nnv n THR 2 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1nnv n THR 2 Cb 0.00 -0.29 -0.14 0.00 -1.55 0.00 0.00 70.33 68.35 1nnv n THR 2 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1nnv s THR 3 N -1.35 0.55 0.25 1.09 -1.32 -1.26 -5.13 115.64 108.48 1nnv s THR 3 Ca 0.00 -1.36 0.04 0.00 -1.21 0.00 0.00 61.69 59.16 1nnv s THR 3 Cb 0.00 -1.42 0.04 0.00 -1.51 0.00 0.00 72.50 69.60 1nnv s THR 3 CO 0.00 -0.75 0.31 -1.84 -2.21 0.00 0.00 174.62 170.13 1nnv n GLU 4 N 4.75 0.90 -1.86 7.08 0.28 -1.26 -5.12 120.64 125.40 1nnv n GLU 4 Ca -0.01 -1.42 -0.29 0.00 -0.16 0.00 0.00 57.16 55.28 1nnv n GLU 4 Cb 0.41 -0.04 0.09 0.00 1.43 0.00 0.00 31.44 33.33 1nnv n GLU 4 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1nnv s ILE 5 N -0.74 2.09 0.02 3.84 1.09 -1.26 -5.09 121.20 121.14 1nnv s ILE 5 Ca 0.24 0.03 -0.00 0.00 -1.10 0.00 0.00 60.65 59.82 1nnv s ILE 5 Cb -0.02 -3.00 0.00 0.00 -1.06 0.00 0.00 42.46 38.38 1nnv s ILE 5 CO 0.15 -0.04 0.02 0.29 -0.10 0.00 0.00 174.94 175.26 1nnv n LYS 6 N -3.34 0.48 -4.77 2.79 4.76 -1.26 -4.99 118.16 111.82 1nnv n LYS 6 Ca 0.08 -0.05 -0.24 0.00 -2.87 0.00 0.00 58.31 55.22 1nnv n LYS 6 Cb 0.61 -0.02 -0.15 0.00 -1.84 0.00 0.00 35.03 33.63 1nnv n LYS 6 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1nnv s LYS 7 N -2.56 1.34 0.62 1.97 1.02 -1.26 -4.82 119.74 116.04 1nnv s LYS 7 Ca 0.01 -0.58 -0.18 0.00 0.02 0.00 0.00 55.97 55.24 1nnv s LYS 7 Cb -0.00 -1.29 -0.02 0.00 -0.52 0.00 0.00 37.83 36.00 1nnv s LYS 7 CO 0.01 0.35 1.23 -0.51 -0.92 0.00 0.00 175.35 175.50 1nnv s LEU 8 N -0.37 3.61 0.42 3.17 1.43 -1.26 -4.95 118.68 120.74 1nnv s LEU 8 Ca 0.06 2.43 -0.26 0.00 -1.03 0.00 0.00 54.13 55.33 1nnv s LEU 8 Cb -0.06 -4.60 -0.09 0.00 0.03 0.00 0.00 46.19 41.46 1nnv s LEU 8 CO -0.01 -1.74 1.43 -1.81 0.23 0.00 0.00 176.35 174.45 1nnv s ASP 9 N -1.60 6.07 0.23 2.29 1.11 -1.26 -4.66 116.67 118.85 1nnv s ASP 9 Ca 0.78 2.93 -0.09 0.00 0.18 0.00 0.00 52.55 56.35 1nnv s ASP 9 Cb -0.32 -2.66 0.37 0.00 1.07 0.00 0.00 42.92 41.39 1nnv s ASP 9 CO 0.36 -1.04 1.64 -0.65 1.18 0.00 0.00 175.17 176.65 1nnv h PRO 10 N 2.58 0.09 0.00 8.23 0.11 -1.99 0.38 132.00 141.40 1nnv h PRO 10 Ca -0.51 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1nnv h PRO 10 Cb 1.26 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1nnv h PRO 10 CO 0.62 0.06 -0.11 0.22 -0.21 0.00 0.00 178.00 178.58 1nnv h ASP 11 N 0.09 0.00 0.00 -2.05 3.58 -1.99 -2.63 116.42 113.42 1nnv h ASP 11 Ca 0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 1nnv h ASP 11 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1nnv h ASP 11 CO -0.64 0.11 -0.04 0.74 -2.88 0.00 0.00 179.24 176.53 1nnv h THR 12 N 0.00 0.00 -0.27 2.25 2.02 -0.71 -2.58 112.91 113.61 1nnv h THR 12 Ca -0.00 -0.88 0.07 0.00 0.77 0.00 0.00 66.41 66.37 1nnv h THR 12 Cb 0.68 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1nnv h THR 12 CO 0.01 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.10 1nnv h ALA 13 N -1.12 2.22 0.18 6.16 0.00 -0.93 -2.57 119.26 123.20 1nnv h ALA 13 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nnv h ALA 13 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nnv h ALA 13 CO 0.00 -0.29 -0.09 0.82 0.00 0.00 0.00 179.25 179.69 1nnv h ILE 14 N 0.03 0.11 -0.91 0.00 2.04 -1.61 -2.95 117.51 114.22 1nnv h ILE 14 Ca 0.13 -0.89 0.20 0.00 1.00 0.00 0.00 64.86 65.31 1nnv h ILE 14 Cb 0.48 0.19 -0.17 0.00 -0.74 0.00 0.00 36.82 36.58 1nnv h ILE 14 CO -0.01 0.03 -0.13 -0.78 0.00 0.00 0.00 178.15 177.27 1nnv h ASP 15 N -1.05 -0.68 -0.76 1.72 3.58 -1.29 0.62 116.42 118.56 1nnv h ASP 15 Ca -0.02 0.26 -0.05 0.00 0.42 0.00 0.00 57.03 57.64 1nnv h ASP 15 Cb 0.24 0.51 -0.03 0.00 1.72 0.00 0.00 39.33 41.77 1nnv h ASP 15 CO 0.04 -0.30 0.27 0.16 -2.88 0.00 0.00 179.24 176.54 1nnv h ILE 16 N 0.02 1.26 -0.51 2.25 3.07 -1.59 -2.64 117.51 119.37 1nnv h ILE 16 Ca 0.48 -0.86 -0.06 0.00 1.55 0.00 0.00 64.86 65.96 1nnv h ILE 16 Cb 0.82 0.39 -0.02 0.00 -0.27 0.00 0.00 36.82 37.74 1nnv h ILE 16 CO -0.89 0.35 0.09 0.00 -1.05 0.00 0.00 178.15 176.64 1nnv h ALA 17 N 1.14 0.67 -0.71 0.16 0.00 0.21 -2.54 119.26 118.19 1nnv h ALA 17 Ca 0.25 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1nnv h ALA 17 Cb 0.26 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 1nnv h ALA 17 CO -0.01 0.40 0.27 -0.92 0.00 0.00 0.00 179.25 178.98 1nnv h TYR 18 N 0.71 0.46 -0.04 0.00 5.03 -0.07 0.31 116.97 123.39 1nnv h TYR 18 Ca 0.15 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.45 1nnv h TYR 18 Cb 0.38 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 1nnv h TYR 18 CO 0.03 0.07 -0.22 -0.44 -1.32 0.00 0.00 178.16 176.27 1nnv h ASP 19 N 0.43 0.06 0.67 -2.11 5.19 -1.22 -2.19 116.42 117.25 1nnv h ASP 19 Ca 0.38 -0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.64 1nnv h ASP 19 Cb 0.54 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 1nnv h ASP 19 CO -0.38 0.29 -0.63 0.40 -3.12 0.00 0.00 179.24 175.80 1nnv h ILE 20 N 0.06 1.43 -0.11 0.35 2.04 -0.04 -1.46 117.51 119.77 1nnv h ILE 20 Ca 0.01 -2.19 -0.03 0.00 1.00 0.00 0.00 64.86 63.65 1nnv h ILE 20 Cb 0.43 2.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1nnv h ILE 20 CO 0.03 0.62 -0.04 0.15 0.00 0.00 0.00 178.15 178.91 1nnv h PHE 21 N 0.00 0.26 0.00 1.37 3.57 -0.47 0.52 116.94 122.18 1nnv h PHE 21 Ca -0.01 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 1nnv h PHE 21 Cb 1.14 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1nnv h PHE 21 CO 0.00 0.55 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.36 1nnv h LEU 22 N -0.11 0.00 0.01 0.59 4.07 -1.49 -0.43 115.31 117.95 1nnv h LEU 22 Ca 0.03 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.80 1nnv h LEU 22 Cb 0.48 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 1nnv h LEU 22 CO 0.01 0.20 -0.99 -0.08 -1.08 0.00 0.00 178.44 176.50 1nnv h GLU 23 N 0.00 0.03 -0.02 1.13 4.81 -1.11 -3.40 114.58 116.02 1nnv h GLU 23 Ca -0.00 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1nnv h GLU 23 Cb 0.75 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.15 1nnv h GLU 23 CO 0.03 1.02 -0.38 0.52 -0.73 0.00 0.00 179.01 179.47 1nnv h MET 24 N -0.91 0.30 -6.00 1.92 2.86 -0.03 -3.45 114.93 109.62 1nnv h MET 24 Ca -0.26 -0.29 -0.75 0.00 -2.06 0.00 0.00 59.70 56.33 1nnv h MET 24 Cb 1.29 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 33.00 1nnv h MET 24 CO -0.13 0.98 1.30 0.00 1.06 0.00 0.00 176.91 180.11 1nnv n ALA 25 N -2.54 0.32 -2.00 6.32 0.00 -0.17 -4.62 120.51 117.82 1nnv n ALA 25 Ca -0.10 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1nnv n ALA 25 Cb 0.56 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1nnv n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nnv n GLY 26 N 7.00 0.79 0.25 0.00 0.00 -1.26 -4.93 105.19 107.04 1nnv n GLY 26 Ca 0.50 0.43 -0.09 0.00 0.00 0.00 0.00 46.02 46.85 1nnv n GLY 26 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nnv h GLU 27 N 0.00 0.75 -0.89 1.61 5.08 -2.00 -3.02 114.58 116.11 1nnv h GLU 27 Ca 0.00 -0.36 0.14 0.00 -1.00 0.00 0.00 59.36 58.15 1nnv h GLU 27 Cb 0.00 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 1nnv h GLU 27 CO 0.00 0.98 0.57 -0.91 -1.00 0.00 0.00 179.01 178.65 1nnv h ASN 28 N 0.63 0.65 -3.58 1.42 2.35 -1.95 -3.41 115.58 111.68 1nnv h ASN 28 Ca 0.07 0.04 -0.51 0.00 -0.55 0.00 0.00 56.30 55.35 1nnv h ASN 28 Cb 0.87 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.13 1nnv h ASN 28 CO 0.08 0.33 0.01 -0.22 -1.65 0.00 0.00 177.43 175.97 1nnv s LEU 29 N -9.80 4.06 0.19 1.61 0.20 -1.14 -4.89 118.68 108.91 1nnv s LEU 29 Ca -0.10 1.09 -0.30 0.00 0.69 0.00 0.00 54.13 55.51 1nnv s LEU 29 Cb 0.22 -3.89 -0.08 0.00 -0.43 0.00 0.00 46.19 42.00 1nnv s LEU 29 CO 0.79 -0.19 1.26 -1.81 -0.29 0.00 0.00 176.35 176.10 1nnv s ASP 30 N -2.51 6.99 0.14 3.68 1.11 -1.26 -4.81 116.67 120.00 1nnv s ASP 30 Ca 0.51 2.32 -0.32 0.00 0.18 0.00 0.00 52.55 55.23 1nnv s ASP 30 Cb -0.11 -2.61 -0.09 0.00 1.07 0.00 0.00 42.92 41.19 1nnv s ASP 30 CO 0.22 -0.46 1.55 -0.65 1.18 0.00 0.00 175.17 177.01 1nnv h PRO 31 N 5.35 -0.38 -0.63 8.23 0.11 -1.91 -1.51 132.00 141.27 1nnv h PRO 31 Ca -0.45 0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.82 1nnv h PRO 31 Cb 1.21 0.09 -0.12 0.00 0.11 0.00 0.00 31.00 32.29 1nnv h PRO 31 CO 0.76 -0.25 -0.17 0.00 -0.21 0.00 0.00 178.00 178.12 1nnv h ALA 32 N 0.04 0.38 0.00 -0.75 0.00 -2.01 0.38 119.26 117.31 1nnv h ALA 32 Ca 0.09 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1nnv h ALA 32 Cb 0.60 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1nnv h ALA 32 CO -0.59 -0.45 -0.01 -0.44 0.00 0.00 0.00 179.25 177.76 1nnv h ASP 33 N -0.02 0.00 0.18 0.00 3.32 -1.75 -2.54 116.42 115.62 1nnv h ASP 33 Ca 0.30 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1nnv h ASP 33 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1nnv h ASP 33 CO -0.66 0.01 -0.09 0.40 -1.72 0.00 0.00 179.24 177.18 1nnv h ILE 34 N 0.00 0.92 0.02 0.35 2.04 0.73 -1.43 117.51 120.15 1nnv h ILE 34 Ca -0.00 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.22 1nnv h ILE 34 Cb 0.02 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1nnv h ILE 34 CO 0.00 0.15 -0.12 0.17 0.00 0.00 0.00 178.15 178.35 1nnv h LEU 35 N -0.58 -0.33 -0.31 1.44 8.10 -1.16 -2.23 115.31 120.24 1nnv h LEU 35 Ca -0.03 0.05 0.07 0.00 0.11 0.00 0.00 57.88 58.08 1nnv h LEU 35 Cb 0.43 0.14 -0.07 0.00 -0.44 0.00 0.00 40.66 40.72 1nnv h LEU 35 CO 0.04 -0.17 -0.14 0.25 -4.11 0.00 0.00 178.44 174.31 1nnv h LEU 36 N -0.21 -0.48 -0.89 0.17 5.85 -1.50 -0.80 115.31 117.45 1nnv h LEU 36 Ca 0.04 0.12 0.20 0.00 0.84 0.00 0.00 57.88 59.08 1nnv h LEU 36 Cb 0.25 0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.43 1nnv h LEU 36 CO -0.10 -0.18 0.41 0.15 -0.34 0.00 0.00 178.44 178.38 1nnv h PHE 37 N -0.09 0.69 0.58 1.25 3.04 -0.91 -1.81 116.94 119.69 1nnv h PHE 37 Ca 0.16 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.12 1nnv h PHE 37 Cb 0.33 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 38.68 1nnv h PHE 37 CO -0.35 0.01 -0.28 -0.91 -2.02 0.00 0.00 178.31 174.77 1nnv h ASN 38 N 0.46 -0.66 -0.95 0.41 -0.26 -0.57 -1.52 115.58 112.48 1nnv h ASN 38 Ca 0.54 -0.03 -0.47 0.00 -0.56 0.00 0.00 56.30 55.78 1nnv h ASN 38 Cb 0.96 0.17 -0.17 0.00 -1.06 0.00 0.00 38.32 38.23 1nnv h ASN 38 CO -0.49 -0.35 0.35 0.18 -1.06 0.00 0.00 177.43 176.07 1nnv n LEU 39 N -5.36 6.40 0.00 1.61 7.99 -0.77 -4.03 117.00 122.85 1nnv n LEU 39 Ca -0.12 -3.95 0.00 0.00 -0.01 0.00 0.00 56.01 51.93 1nnv n LEU 39 Cb 0.34 -1.23 0.00 0.00 -0.11 0.00 0.00 43.42 42.42 1nnv n LEU 39 CO 0.33 1.69 0.00 0.00 -1.51 0.00 0.00 177.39 177.90 1nnv n GLN 40 N 0.92 0.00 -0.39 3.23 1.13 -0.74 -4.92 117.38 116.60 1nnv n GLN 40 Ca 0.47 0.00 0.32 0.00 -1.94 0.00 0.00 57.00 55.85 1nnv n GLN 40 Cb 0.58 -0.02 0.59 0.00 0.11 0.00 0.00 30.24 31.50 1nnv n GLN 40 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1nnv h PHE 41 N 0.00 0.67 -0.55 1.08 3.57 -1.41 1.10 116.94 121.40 1nnv h PHE 41 Ca 0.00 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1nnv h PHE 41 Cb 0.00 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 1nnv h PHE 41 CO 0.00 -0.22 0.31 1.49 -2.23 0.00 0.00 178.31 177.67 1nnv h GLU 42 N 0.15 0.60 0.00 1.11 4.81 -1.84 -2.50 114.58 116.91 1nnv h GLU 42 Ca 0.79 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.98 1nnv h GLU 42 Cb 2.24 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.49 1nnv h GLU 42 CO -0.50 0.39 -0.72 -1.91 -0.73 0.00 0.00 179.01 175.54 1nnv n GLU 43 N -4.81 0.44 -2.37 1.92 4.07 0.18 -4.64 120.64 115.44 1nnv n GLU 43 Ca 0.05 0.31 -0.41 0.00 -0.06 0.00 0.00 57.16 57.04 1nnv n GLU 43 Cb 0.10 -1.43 0.01 0.00 -0.06 0.00 0.00 31.44 30.06 1nnv n GLU 43 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1nnv n ARG 44 N -4.29 4.67 -3.38 5.31 3.00 0.33 -4.92 116.66 117.37 1nnv n ARG 44 Ca -0.10 -3.96 -0.38 0.00 -0.01 0.00 0.00 57.85 53.40 1nnv n ARG 44 Cb 0.38 -2.62 -0.06 0.00 0.00 0.00 0.00 32.46 30.16 1nnv n ARG 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1nnv s GLY 45 N -0.33 2.43 -0.04 -0.13 0.00 -0.94 -3.42 107.32 104.89 1nnv s GLY 45 Ca 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.97 1nnv s GLY 45 CO -0.06 0.53 -0.02 -0.32 0.00 0.00 0.00 173.10 173.23 1nnv s GLY 46 N -0.05 0.38 -0.41 0.20 0.00 -1.11 -4.41 107.32 101.92 1nnv s GLY 46 Ca 0.25 0.01 0.09 0.00 0.00 0.00 0.00 44.72 45.07 1nnv s GLY 46 CO 0.11 0.59 0.94 3.33 0.00 0.00 0.00 173.10 178.07 1nnv n VAL 47 N 4.23 -0.06 -2.80 1.40 0.24 -1.25 -1.29 118.33 118.80 1nnv n VAL 47 Ca -0.23 -2.99 -0.42 0.00 -2.04 0.00 0.00 64.34 58.66 1nnv n VAL 47 Cb 0.51 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.49 1nnv n VAL 47 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1nnv s GLU 48 N -1.07 4.39 -0.77 7.34 2.56 -0.97 -4.86 118.70 125.32 1nnv s GLU 48 Ca 0.31 1.21 -0.24 0.00 0.00 0.00 0.00 54.97 56.24 1nnv s GLU 48 Cb 0.32 -3.54 0.06 0.00 2.00 0.00 0.00 34.13 32.97 1nnv s GLU 48 CO -0.06 -0.26 1.18 0.12 -0.56 0.00 0.00 175.26 175.68 1nnv s PHE 49 N 1.86 2.53 0.54 5.30 5.36 -1.26 -1.35 117.98 130.96 1nnv s PHE 49 Ca 0.44 -0.46 -0.02 0.00 -0.96 0.00 0.00 56.93 55.93 1nnv s PHE 49 Cb -0.18 -4.49 0.01 0.00 -0.34 0.00 0.00 43.02 38.02 1nnv s PHE 49 CO 0.17 -1.86 0.80 0.14 -1.46 0.00 0.00 175.22 173.00 1nnv s VAL 50 N 4.78 3.46 0.31 3.12 -7.23 0.84 -4.98 120.40 120.71 1nnv s VAL 50 Ca 0.32 -0.35 0.04 0.00 -1.81 0.00 0.00 61.98 60.18 1nnv s VAL 50 Cb -0.10 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.49 1nnv s VAL 50 CO 0.07 -0.28 0.46 -1.83 -0.31 0.00 0.00 175.10 173.22 1nnv s GLU 51 N -4.80 3.31 1.02 4.82 -1.05 -1.26 -2.57 118.70 118.17 1nnv s GLU 51 Ca 0.53 -0.72 -0.15 0.00 -0.15 0.00 0.00 54.97 54.47 1nnv s GLU 51 Cb -0.10 -2.79 0.06 0.00 -0.44 0.00 0.00 34.13 30.86 1nnv s GLU 51 CO 0.41 0.19 0.23 2.41 0.95 0.00 0.00 175.26 179.44 1nnv n THR 52 N -1.63 0.00 -4.17 1.83 -1.04 -1.25 -4.79 114.28 103.23 1nnv n THR 52 Ca -0.04 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.05 61.62 1nnv n THR 52 Cb 0.57 -0.60 -0.10 0.00 -1.82 0.00 0.00 70.33 68.38 1nnv n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nnv s ALA 53 N -2.33 0.97 -0.05 2.41 0.00 -1.26 -4.67 121.76 116.83 1nnv s ALA 53 Ca 0.56 -1.42 0.13 0.00 0.00 0.00 0.00 51.96 51.24 1nnv s ALA 53 Cb -0.17 0.43 -0.21 0.00 0.00 0.00 0.00 23.12 23.17 1nnv s ALA 53 CO 0.67 -0.34 0.71 -0.44 0.00 0.00 0.00 175.76 176.36 1nnv h ASP 54 N 2.90 0.00 0.18 0.00 5.19 -1.96 -3.32 116.42 119.41 1nnv h ASP 54 Ca -0.35 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1nnv h ASP 54 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1nnv h ASP 54 CO 0.63 0.93 0.00 0.47 -3.12 0.00 0.00 179.24 178.15 1nnv n ASP 55 N -3.03 0.00 -0.38 6.45 9.92 -1.26 -3.72 116.55 124.54 1nnv n ASP 55 Ca -0.15 -0.35 0.38 0.00 -0.53 0.00 0.00 54.79 54.14 1nnv n ASP 55 Cb 1.01 -0.14 0.75 0.00 -0.64 0.00 0.00 41.12 42.11 1nnv n ASP 55 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 1nnv h TRP 56 N 0.00 0.00 0.00 1.24 -0.00 -1.95 -3.22 115.95 112.02 1nnv h TRP 56 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.89 58.55 1nnv h TRP 56 Cb 0.09 0.00 0.04 0.00 -0.00 0.00 0.00 29.16 29.29 1nnv h TRP 56 CO 0.00 0.00 1.85 0.39 -0.00 0.00 0.00 178.44 180.68 1nnv n GLU 57 N -4.07 1.00 0.00 0.49 1.02 -1.24 -2.24 120.64 115.60 1nnv n GLU 57 Ca 0.28 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.27 1nnv n GLU 57 Cb 1.39 -2.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1nnv n GLU 57 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nnv n GLU 58 N 5.54 0.00 0.00 3.49 -0.58 -1.21 -4.88 120.64 122.99 1nnv n GLU 58 Ca 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1nnv n GLU 58 Cb 0.18 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.05 1nnv n GLU 58 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1nnv n GLU 59 N -1.72 0.00 0.09 3.49 4.71 -0.95 -4.47 120.64 121.79 1nnv n GLU 59 Ca 0.00 0.45 -0.07 0.00 -0.01 0.00 0.00 57.16 57.53 1nnv n GLU 59 Cb 0.00 -0.95 0.01 0.00 -1.01 0.00 0.00 31.44 29.49 1nnv n GLU 59 CO 0.00 0.00 0.00 -0.84 0.09 0.00 0.00 177.13 176.38 1nnv h ILE 60 N 0.00 1.50 -2.22 -3.67 3.07 -1.96 -3.48 117.51 110.75 1nnv h ILE 60 Ca 0.00 -2.59 -0.04 0.00 1.55 0.00 0.00 64.86 63.78 1nnv h ILE 60 Cb 0.00 2.43 0.02 0.00 -0.27 0.00 0.00 36.82 39.00 1nnv h ILE 60 CO 0.00 0.75 -0.09 0.61 -1.05 0.00 0.00 178.15 178.38 1nnv n GLY 61 N 0.80 0.45 3.29 0.16 0.00 -1.25 -5.07 105.19 103.58 1nnv n GLY 61 Ca -0.03 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.57 1nnv n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nnv s VAL 62 N -3.04 -0.80 0.01 1.61 1.01 -1.26 -4.99 120.40 112.94 1nnv s VAL 62 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 61.98 61.63 1nnv s VAL 62 Cb -0.01 -1.00 -0.16 0.00 0.00 0.00 0.00 36.38 35.22 1nnv s VAL 62 CO 0.08 0.00 1.51 0.18 0.00 0.00 0.00 175.10 176.87 1nnv n LEU 63 N 5.38 2.19 -4.36 3.92 4.32 -1.26 -4.72 117.00 122.47 1nnv n LEU 63 Ca -0.06 1.09 -0.32 0.00 -0.02 0.00 0.00 56.01 56.71 1nnv n LEU 63 Cb 0.51 -1.23 -0.15 0.00 -1.62 0.00 0.00 43.42 40.93 1nnv n LEU 63 CO -0.02 -0.71 -0.52 -0.63 -1.22 0.00 0.00 177.39 174.29 1nnv s ILE 64 N 1.48 2.47 -0.31 -0.08 -1.09 -1.26 -5.08 121.20 117.33 1nnv s ILE 64 Ca 0.87 -0.93 -0.28 0.00 -2.23 0.00 0.00 60.65 58.08 1nnv s ILE 64 Cb -0.91 -1.92 -0.03 0.00 -1.58 0.00 0.00 42.46 38.02 1nnv s ILE 64 CO 0.50 0.58 1.90 -1.81 -1.23 0.00 0.00 174.94 174.87 1nnv s ASP 65 N -0.43 5.77 0.86 3.58 1.01 -1.26 -4.88 116.67 121.32 1nnv s ASP 65 Ca 0.05 1.43 -0.12 0.00 0.71 0.00 0.00 52.55 54.62 1nnv s ASP 65 Cb -0.12 -2.52 0.11 0.00 1.01 0.00 0.00 42.92 41.40 1nnv s ASP 65 CO 0.01 -1.79 1.12 -0.81 0.21 0.00 0.00 175.17 173.92 1nnv n PRO 66 N 8.52 -0.13 -1.33 8.23 -0.04 -1.26 -2.49 135.00 146.50 1nnv n PRO 66 Ca 0.25 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.65 1nnv n PRO 66 Cb 0.46 -2.37 -0.04 0.00 -0.04 0.00 0.00 33.50 31.52 1nnv n PRO 66 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1nnv n GLU 67 N -3.57 -1.26 -0.40 0.54 0.28 -1.26 -4.64 120.64 110.32 1nnv n GLU 67 Ca 0.12 0.53 0.01 0.00 -0.16 0.00 0.00 57.16 57.66 1nnv n GLU 67 Cb 0.51 -4.72 0.01 0.00 1.43 0.00 0.00 31.44 28.68 1nnv n GLU 67 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1nnv n GLU 68 N -1.66 0.17 -3.78 3.44 1.02 -1.04 -4.97 120.64 113.81 1nnv n GLU 68 Ca -0.09 -1.11 -0.13 0.00 -0.02 0.00 0.00 57.16 55.81 1nnv n GLU 68 Cb 0.31 -0.61 -0.10 0.00 -0.02 0.00 0.00 31.44 31.03 1nnv n GLU 68 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1nnv s TYR 69 N -0.30 -0.21 -0.37 -0.32 1.51 -1.24 -4.13 117.35 112.30 1nnv s TYR 69 Ca 0.03 0.43 -0.21 0.00 -1.01 0.00 0.00 57.07 56.31 1nnv s TYR 69 Cb 0.03 0.08 0.01 0.00 -0.11 0.00 0.00 41.96 41.96 1nnv s TYR 69 CO 0.00 -0.27 0.67 0.00 -1.11 0.00 0.00 175.55 174.85 1nnv s ALA 70 N -0.68 3.44 -0.40 3.71 0.00 -0.44 -3.84 121.76 123.55 1nnv s ALA 70 Ca -0.08 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 1nnv s ALA 70 Cb -0.04 -3.23 0.09 0.00 0.00 0.00 0.00 23.12 19.94 1nnv s ALA 70 CO 0.02 -1.41 0.20 -2.00 0.00 0.00 0.00 175.76 172.57 1nnv s GLU 71 N 2.81 2.32 -0.07 0.00 2.12 -1.06 -1.57 118.70 123.25 1nnv s GLU 71 Ca 0.26 -1.59 -0.14 0.00 0.36 0.00 0.00 54.97 53.85 1nnv s GLU 71 Cb -0.14 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.59 1nnv s GLU 71 CO 0.16 -0.96 0.36 0.54 -0.54 0.00 0.00 175.26 174.81 1nnv s VAL 72 N 1.28 5.17 -0.44 3.70 0.11 -0.37 -0.11 120.40 129.73 1nnv s VAL 72 Ca 0.04 0.72 0.04 0.00 -2.93 0.00 0.00 61.98 59.84 1nnv s VAL 72 Cb -0.23 -3.67 0.12 0.00 -1.53 0.00 0.00 36.38 31.07 1nnv s VAL 72 CO -0.01 0.51 0.17 0.26 -3.33 0.00 0.00 175.10 172.70 1nnv s TRP 73 N -0.49 3.24 -0.47 1.54 0.52 -0.45 -1.12 118.94 121.71 1nnv s TRP 73 Ca 0.21 -3.00 -0.17 0.00 0.02 0.00 0.00 56.10 53.17 1nnv s TRP 73 Cb -0.15 -2.74 0.06 0.00 -1.15 0.00 0.00 33.47 29.48 1nnv s TRP 73 CO 0.10 -0.83 0.46 0.08 0.02 0.00 0.00 176.95 176.78 1nnv s VAL 74 N 0.28 5.12 0.00 4.03 1.01 -1.00 -2.30 120.40 127.53 1nnv s VAL 74 Ca 0.14 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1nnv s VAL 74 Cb -0.23 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1nnv s VAL 74 CO -0.04 -0.60 0.00 0.61 0.00 0.00 0.00 175.10 175.07 1nnv n GLY 75 N 5.18 5.11 2.64 4.51 0.00 -0.41 -2.31 105.19 119.91 1nnv n GLY 75 Ca -0.10 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 1nnv n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nnv s LEU 76 N 0.00 0.40 0.59 0.99 1.02 -1.00 -2.73 118.68 117.94 1nnv s LEU 76 Ca 0.00 -0.46 0.10 0.00 0.02 0.00 0.00 54.13 53.79 1nnv s LEU 76 Cb 0.00 -0.27 0.09 0.00 0.02 0.00 0.00 46.19 46.04 1nnv s LEU 76 CO 0.00 -0.32 0.80 0.68 0.02 0.00 0.00 176.35 177.54 1nnv s VAL 77 N 2.11 2.07 0.00 -1.59 -7.23 -1.22 -4.53 120.40 110.01 1nnv s VAL 77 Ca 0.02 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1nnv s VAL 77 Cb -0.15 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.71 1nnv s VAL 77 CO -0.07 0.00 0.00 0.59 -0.31 0.00 0.00 175.10 175.31 1nnv n ASN 78 N -2.27 0.00 0.17 4.85 3.02 -1.22 -4.48 115.26 115.33 1nnv n ASN 78 Ca 0.16 -0.62 0.04 0.00 -0.03 0.00 0.00 54.58 54.13 1nnv n ASN 78 Cb 0.62 0.00 0.46 0.00 -0.61 0.00 0.00 39.78 40.25 1nnv n ASN 78 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1nnv h GLU 79 N 0.00 0.12 0.00 3.52 -0.00 -1.94 -3.31 114.58 112.97 1nnv h GLU 79 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1nnv h GLU 79 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 28.73 1nnv h GLU 79 CO 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 179.01 179.27 1nnv n GLN 80 N -4.33 0.00 0.00 1.06 10.64 -1.26 -5.02 117.38 118.47 1nnv n GLN 80 Ca -0.02 0.38 0.00 0.00 -1.83 0.00 0.00 57.00 55.53 1nnv n GLN 80 Cb 0.23 -1.00 0.00 0.00 -0.86 0.00 0.00 30.24 28.61 1nnv n GLN 80 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1nnv n ASP 81 N -1.64 0.00 -4.50 2.61 9.92 -1.25 -5.14 116.55 116.56 1nnv n ASP 81 Ca 0.00 0.00 -0.50 0.00 -0.53 0.00 0.00 54.79 53.76 1nnv n ASP 81 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1nnv n ASP 81 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1nnv n GLU 82 N 0.00 0.51 -4.53 -1.24 4.71 -1.26 -4.63 120.64 114.20 1nnv n GLU 82 Ca 0.00 0.18 -0.33 0.00 -0.01 0.00 0.00 57.16 57.00 1nnv n GLU 82 Cb 0.00 -1.49 -0.16 0.00 -1.01 0.00 0.00 31.44 28.78 1nnv n GLU 82 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 1nnv s MET 83 N -0.62 3.04 0.00 3.49 -2.45 -1.26 -3.44 119.30 118.06 1nnv s MET 83 Ca 0.73 -0.84 0.03 0.00 -1.25 0.00 0.00 55.69 54.36 1nnv s MET 83 Cb -0.96 -2.49 0.05 0.00 1.25 0.00 0.00 34.83 32.68 1nnv s MET 83 CO 0.55 -0.06 0.92 -3.47 1.05 0.00 0.00 175.02 174.02 1nnv n ASP 84 N 4.20 0.08 -3.19 1.11 2.03 -1.26 -5.00 116.55 114.52 1nnv n ASP 84 Ca -0.20 -1.81 0.01 0.00 0.52 0.00 0.00 54.79 53.31 1nnv n ASP 84 Cb 0.51 -0.16 -0.01 0.00 -0.72 0.00 0.00 41.12 40.75 1nnv n ASP 84 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1nnv s ASP 85 N -0.93 -1.51 0.25 1.67 1.01 -1.26 -5.12 116.67 110.78 1nnv s ASP 85 Ca 0.04 -0.78 -0.11 0.00 0.71 0.00 0.00 52.55 52.41 1nnv s ASP 85 Cb 0.05 1.93 -0.08 0.00 1.01 0.00 0.00 42.92 45.83 1nnv s ASP 85 CO -0.02 -0.16 0.59 0.54 0.21 0.00 0.00 175.17 176.33 1nnv s VAL 86 N 1.83 4.87 -0.25 -1.27 0.11 -1.26 -2.38 120.40 122.05 1nnv s VAL 86 Ca 0.16 0.59 -0.05 0.00 -2.93 0.00 0.00 61.98 59.75 1nnv s VAL 86 Cb -0.04 -3.62 -0.16 0.00 -1.53 0.00 0.00 36.38 31.03 1nnv s VAL 86 CO -0.07 -0.09 -0.20 0.49 -3.33 0.00 0.00 175.10 171.90 1nnv n PHE 87 N -0.16 0.16 -3.67 1.54 3.72 -1.05 -4.61 117.46 113.39 1nnv n PHE 87 Ca 0.01 0.04 -0.09 0.00 -0.05 0.00 0.00 57.45 57.36 1nnv n PHE 87 Cb 0.53 -1.02 -0.10 0.00 -0.94 0.00 0.00 39.48 37.95 1nnv n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nnv s ALA 88 N -2.51 -1.08 -0.11 4.37 0.00 -0.98 -0.59 121.76 120.87 1nnv s ALA 88 Ca -0.35 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.07 1nnv s ALA 88 Cb 0.11 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1nnv s ALA 88 CO 0.58 -0.64 -0.12 0.15 0.00 0.00 0.00 175.76 175.73 1nnv s LYS 89 N 2.32 3.16 0.20 0.00 3.01 -1.07 -2.39 119.74 124.97 1nnv s LYS 89 Ca -0.03 -0.67 0.09 0.00 -1.01 0.00 0.00 55.97 54.35 1nnv s LYS 89 Cb -0.11 -2.59 -0.04 0.00 -1.01 0.00 0.00 37.83 34.08 1nnv s LYS 89 CO -0.12 0.34 -0.07 -0.06 0.51 0.00 0.00 175.35 175.94 1nnv s PHE 90 N 0.03 2.65 -0.19 3.18 0.40 -0.27 -1.69 117.98 122.10 1nnv s PHE 90 Ca -0.04 -0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.05 1nnv s PHE 90 Cb -0.14 -1.27 0.06 0.00 0.51 0.00 0.00 43.02 42.18 1nnv s PHE 90 CO 0.04 0.54 0.04 -0.51 0.70 0.00 0.00 175.22 176.02 1nnv s LEU 91 N -3.01 1.15 -0.08 -0.37 1.43 -0.61 -1.24 118.68 115.96 1nnv s LEU 91 Ca 0.26 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1nnv s LEU 91 Cb -0.08 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.54 1nnv s LEU 91 CO 0.16 -0.30 -0.18 0.27 0.23 0.00 0.00 176.35 176.53 1nnv s ILE 92 N 1.86 2.63 -0.74 -0.59 -4.36 -0.61 -2.32 121.20 117.08 1nnv s ILE 92 Ca -0.01 -0.85 -0.26 0.00 -0.26 0.00 0.00 60.65 59.28 1nnv s ILE 92 Cb -0.17 -2.03 -0.01 0.00 1.25 0.00 0.00 42.46 41.50 1nnv s ILE 92 CO -0.08 0.56 1.70 -0.44 0.24 0.00 0.00 174.94 176.93 1nnv s SER 93 N -0.10 5.57 0.27 4.36 0.01 -1.01 -1.33 113.70 121.47 1nnv s SER 93 Ca -0.03 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.03 1nnv s SER 93 Cb -0.14 -2.55 0.66 0.00 0.21 0.00 0.00 66.02 64.20 1nnv s SER 93 CO 0.04 -2.24 1.35 1.41 0.41 0.00 0.00 173.24 174.21 1nnv n HIS 94 N 11.84 0.55 -1.53 2.43 -0.00 -1.26 -4.53 115.22 122.72 1nnv n HIS 94 Ca 0.21 1.04 -0.47 0.00 -0.00 0.00 0.00 57.72 58.50 1nnv n HIS 94 Cb 0.50 -1.15 -0.03 0.00 -0.00 0.00 0.00 29.99 29.32 1nnv n HIS 94 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 1nnv n ARG 95 N -5.25 0.86 -0.13 -0.41 0.00 -1.26 -4.86 116.66 105.60 1nnv n ARG 95 Ca 0.20 0.30 -0.05 0.00 -0.00 0.00 0.00 57.85 58.31 1nnv n ARG 95 Cb 0.66 -1.61 0.03 0.00 -0.00 0.00 0.00 32.46 31.55 1nnv n ARG 95 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1nnv h GLU 96 N 2.14 0.34 0.00 2.89 4.81 -2.01 -3.39 114.58 119.35 1nnv h GLU 96 Ca -0.38 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 58.68 1nnv h GLU 96 Cb 1.37 -0.08 0.08 0.00 0.63 0.00 0.00 28.75 30.76 1nnv h GLU 96 CO 0.62 0.22 0.02 -0.85 -0.73 0.00 0.00 179.01 178.30 1nnv n GLU 97 N -4.98 -2.19 0.00 1.92 0.28 -1.26 -4.28 120.64 110.13 1nnv n GLU 97 Ca 0.03 -0.67 0.00 0.00 -0.16 0.00 0.00 57.16 56.36 1nnv n GLU 97 Cb 0.14 -0.68 0.00 0.00 1.43 0.00 0.00 31.44 32.34 1nnv n GLU 97 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1nnv n ASP 98 N -3.84 0.00 -2.39 -1.84 8.00 -1.26 -4.70 116.55 110.51 1nnv n ASP 98 Ca 0.06 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.50 1nnv n ASP 98 Cb 0.24 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1nnv n ASP 98 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1nnv n ARG 99 N 0.00 -1.07 -4.00 -1.24 0.00 -1.26 -5.05 116.66 104.04 1nnv n ARG 99 Ca 0.00 0.57 -0.30 0.00 -0.00 0.00 0.00 57.85 58.12 1nnv n ARG 99 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 32.46 28.66 1nnv n ARG 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1nnv s GLU 100 N -3.58 3.11 -0.09 -0.14 2.56 -1.26 -4.97 118.70 114.34 1nnv s GLU 100 Ca 0.19 -0.61 -0.09 0.00 0.00 0.00 0.00 54.97 54.46 1nnv s GLU 100 Cb -0.02 -2.84 0.02 0.00 2.00 0.00 0.00 34.13 33.29 1nnv s GLU 100 CO 0.39 0.57 0.24 -0.59 -0.56 0.00 0.00 175.26 175.31 1nnv s PHE 101 N -1.48 -0.25 0.06 5.30 -0.71 -1.25 -2.39 117.98 117.25 1nnv s PHE 101 Ca 0.32 0.61 0.00 0.00 -1.04 0.00 0.00 56.93 56.82 1nnv s PHE 101 Cb -0.12 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.74 1nnv s PHE 101 CO 0.25 -0.14 -0.05 -1.01 -1.34 0.00 0.00 175.22 172.92 1nnv s HIS 102 N 0.02 0.61 -0.16 3.49 0.09 -0.98 -4.95 115.29 113.42 1nnv s HIS 102 Ca -0.01 -0.88 -0.14 0.00 -0.00 0.00 0.00 55.06 54.03 1nnv s HIS 102 Cb -0.02 -0.40 0.04 0.00 -0.00 0.00 0.00 32.58 32.20 1nnv s HIS 102 CO 0.01 -0.25 0.41 0.54 -0.00 0.00 0.00 174.74 175.45 1nnv s VAL 103 N -3.19 -0.00 -0.30 -0.90 0.11 -1.26 -1.58 120.40 113.29 1nnv s VAL 103 Ca 0.03 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.08 1nnv s VAL 103 Cb 0.03 -0.58 0.05 0.00 -1.53 0.00 0.00 36.38 34.35 1nnv s VAL 103 CO -0.06 0.01 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.08 1nnv s ILE 104 N 0.38 2.95 0.19 7.04 1.09 -0.68 -4.93 121.20 127.24 1nnv s ILE 104 Ca -0.01 -1.37 -0.09 0.00 -1.10 0.00 0.00 60.65 58.08 1nnv s ILE 104 Cb -0.04 -2.69 -0.07 0.00 -1.06 0.00 0.00 42.46 38.61 1nnv s ILE 104 CO -0.01 -0.09 0.49 0.26 -0.10 0.00 0.00 174.94 175.49 1nnv s TRP 105 N 1.25 3.46 0.97 3.97 0.52 -1.26 -2.61 118.94 125.25 1nnv s TRP 105 Ca -0.05 0.79 -0.16 0.00 0.02 0.00 0.00 56.10 56.69 1nnv s TRP 105 Cb -0.20 -2.18 0.25 0.00 -1.15 0.00 0.00 33.47 30.19 1nnv s TRP 105 CO -0.01 0.35 0.68 1.17 0.02 0.00 0.00 176.95 179.15 1nnv n LYS 106 N 0.08 -3.43 0.00 4.98 4.81 0.25 -4.98 118.16 119.86 1nnv n LYS 106 Ca -0.01 -1.12 0.00 0.00 -0.87 0.00 0.00 58.31 56.31 1nnv n LYS 106 Cb 0.52 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 34.30 1nnv n LYS 106 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93