#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 0.00-10.91 -3.69 2.03 5.66 -1.26 -4.96 114.28 101.16 1nnv n THR 2 Ca 0.00 2.91 -0.36 0.00 -3.05 0.00 0.00 64.05 63.56 1nnv n THR 2 Cb 0.00 -4.76 -0.08 0.00 -1.55 0.00 0.00 70.33 63.94 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 -0.74 5.38 0.06 1.09 -1.32 -1.26 -5.02 115.64 113.84 1nnv s THR 3 Ca 0.00 0.30 -0.34 0.00 -1.21 0.00 0.00 61.69 60.44 1nnv s THR 3 Cb 0.00 -3.51 -0.19 0.00 -1.51 0.00 0.00 72.50 67.29 1nnv s THR 3 CO 0.00 0.44 1.51 -0.08 -2.21 0.00 0.00 174.62 174.29 1nnv h GLU 4 N 6.50 -1.17 -6.16 7.08 4.57 -2.09 -3.44 114.58 119.86 1nnv h GLU 4 Ca -0.42 0.08 -0.61 0.00 -1.18 0.00 0.00 59.36 57.23 1nnv h GLU 4 Cb 1.16 0.27 -0.28 0.00 -0.16 0.00 0.00 28.75 29.74 1nnv h GLU 4 CO 0.74 -0.78 -0.85 0.42 -1.18 0.00 0.00 179.01 177.35 1nnv s ILE 5 N -5.70 1.72 0.52 2.32 1.01 -1.26 -5.15 121.20 114.67 1nnv s ILE 5 Ca -0.18 -1.09 0.09 0.00 0.00 0.00 0.00 60.65 59.47 1nnv s ILE 5 Cb 0.02 -1.47 0.06 0.00 0.01 0.00 0.00 42.46 41.08 1nnv s ILE 5 CO 0.54 0.34 0.72 -0.54 0.00 0.00 0.00 174.94 176.01 1nnv s LYS 6 N -0.88 2.48 -0.12 2.79 -0.14 -1.26 -5.11 119.74 117.49 1nnv s LYS 6 Ca 0.08 -1.49 -0.02 0.00 -1.36 0.00 0.00 55.97 53.18 1nnv s LYS 6 Cb -0.09 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.35 1nnv s LYS 6 CO 0.01 -0.67 -0.04 0.15 -0.76 0.00 0.00 175.35 174.04 1nnv s LYS 7 N -4.57 3.34 0.60 1.68 1.02 -1.26 -4.96 119.74 115.59 1nnv s LYS 7 Ca 0.60 -0.50 -0.20 0.00 0.02 0.00 0.00 55.97 55.88 1nnv s LYS 7 Cb -0.07 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 1nnv s LYS 7 CO 0.37 0.42 1.27 1.47 -0.92 0.00 0.00 175.35 177.97 1nnv n LEU 8 N 2.98 5.48 -4.54 3.17 -0.00 -1.26 -4.88 117.00 117.94 1nnv n LEU 8 Ca -0.18 0.89 -0.45 0.00 -0.00 0.00 0.00 56.01 56.27 1nnv n LEU 8 Cb 0.53 -1.54 -0.02 0.00 -0.00 0.00 0.00 43.42 42.39 1nnv n LEU 8 CO 0.31 -0.95 0.40 0.47 -0.00 0.00 0.00 177.39 177.62 1nnv n ASP 9 N -1.34 0.56 0.46 1.45 9.92 -1.26 -4.84 116.55 121.50 1nnv n ASP 9 Ca 0.13 1.16 -0.20 0.00 -0.53 0.00 0.00 54.79 55.35 1nnv n ASP 9 Cb 0.46 -1.20 -0.10 0.00 -0.64 0.00 0.00 41.12 39.65 1nnv n ASP 9 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nnv h PRO 10 N 1.68 -1.11 -0.10 -0.24 0.13 -2.01 -2.13 132.00 128.22 1nnv h PRO 10 Ca -0.37 0.08 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 1nnv h PRO 10 Cb 1.37 0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.74 1nnv h PRO 10 CO 0.59 -0.74 -0.12 -0.44 -0.23 0.00 0.00 178.00 177.06 1nnv h ASP 11 N -1.15 0.14 0.50 1.44 5.19 -2.00 -2.59 116.42 117.96 1nnv h ASP 11 Ca -0.12 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.25 1nnv h ASP 11 Cb 0.88 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1nnv h ASP 11 CO 0.19 0.29 -0.26 0.74 -3.12 0.00 0.00 179.24 177.08 1nnv h THR 12 N 0.15 0.47 0.18 0.35 2.02 -1.88 -2.19 112.91 112.01 1nnv h THR 12 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1nnv h THR 12 Cb 0.31 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1nnv h THR 12 CO 0.02 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.75 1nnv h ALA 13 N -0.21 -0.32 -1.04 6.16 0.00 -1.25 -2.28 119.26 120.31 1nnv h ALA 13 Ca -0.07 -0.05 0.30 0.00 0.00 0.00 0.00 54.91 55.09 1nnv h ALA 13 Cb 0.55 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.42 1nnv h ALA 13 CO 0.10 -0.70 0.63 0.82 0.00 0.00 0.00 179.25 180.10 1nnv h ILE 14 N -0.35 0.39 -0.19 0.00 2.04 -1.42 0.25 117.51 118.23 1nnv h ILE 14 Ca -0.00 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1nnv h ILE 14 Cb 0.32 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1nnv h ILE 14 CO -0.02 0.07 0.01 -0.78 0.00 0.00 0.00 178.15 177.42 1nnv h ASP 15 N 0.39 0.33 0.68 1.72 1.82 -0.84 -1.94 116.42 118.58 1nnv h ASP 15 Ca 0.69 -0.30 -0.03 0.00 -0.39 0.00 0.00 57.03 57.00 1nnv h ASP 15 Cb 1.61 -0.09 0.01 0.00 0.68 0.00 0.00 39.33 41.53 1nnv h ASP 15 CO -0.49 0.55 -0.33 0.40 -1.61 0.00 0.00 179.24 177.76 1nnv h ILE 16 N 0.10 0.00 -1.05 2.25 2.04 -0.19 -2.68 117.51 117.97 1nnv h ILE 16 Ca 0.05 -0.03 0.29 0.00 1.00 0.00 0.00 64.86 66.18 1nnv h ILE 16 Cb 0.38 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.34 1nnv h ILE 16 CO 0.01 0.00 0.65 0.00 0.00 0.00 0.00 178.15 178.80 1nnv h ALA 17 N -1.55 2.09 -0.04 1.87 0.00 -1.13 0.14 119.26 120.65 1nnv h ALA 17 Ca -0.09 0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1nnv h ALA 17 Cb 0.70 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1nnv h ALA 17 CO 0.15 -0.60 -0.18 -0.92 0.00 0.00 0.00 179.25 177.71 1nnv h TYR 18 N 0.40 -0.47 0.00 0.00 5.03 -1.13 0.10 116.97 120.90 1nnv h TYR 18 Ca 0.67 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.99 1nnv h TYR 18 Cb 1.59 0.22 -0.00 0.00 1.55 0.00 0.00 36.73 40.08 1nnv h TYR 18 CO -0.01 -0.26 -0.03 -0.44 -1.32 0.00 0.00 178.16 176.11 1nnv h ASP 19 N -0.28 0.00 0.79 -2.11 5.19 -0.43 -1.48 116.42 118.10 1nnv h ASP 19 Ca 0.07 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.29 1nnv h ASP 19 Cb 0.37 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1nnv h ASP 19 CO -0.20 0.03 -0.89 0.40 -3.12 0.00 0.00 179.24 175.46 1nnv h ILE 20 N 0.00 1.59 0.00 0.35 2.04 0.03 -2.37 117.51 119.15 1nnv h ILE 20 Ca -0.00 -2.90 -0.14 0.00 1.00 0.00 0.00 64.86 62.82 1nnv h ILE 20 Cb 0.17 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 1nnv h ILE 20 CO 0.00 0.83 -0.68 0.15 0.00 0.00 0.00 178.15 178.45 1nnv h PHE 21 N 0.03 0.00 0.04 1.37 3.57 -0.09 0.37 116.94 122.22 1nnv h PHE 21 Ca -0.02 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.25 1nnv h PHE 21 Cb 1.55 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 1nnv h PHE 21 CO 0.01 0.68 -1.02 1.25 -2.23 0.00 0.00 178.31 177.01 1nnv h LEU 22 N 0.00 0.25 0.05 0.59 5.85 -1.44 -2.63 115.31 117.98 1nnv h LEU 22 Ca -0.01 -0.23 -0.37 0.00 0.84 0.00 0.00 57.88 58.11 1nnv h LEU 22 Cb 1.36 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 1nnv h LEU 22 CO 0.09 1.11 -2.22 -1.84 -0.34 0.00 0.00 178.44 175.24 1nnv n GLU 23 N -3.55 0.70 -0.02 1.25 0.28 -0.90 -4.56 120.64 113.85 1nnv n GLU 23 Ca -0.04 0.19 -0.13 0.00 -0.16 0.00 0.00 57.16 57.03 1nnv n GLU 23 Cb 0.90 -1.62 -0.10 0.00 1.43 0.00 0.00 31.44 32.06 1nnv n GLU 23 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1nnv h MET 24 N 0.03 -0.05 -6.52 3.44 2.86 -0.41 -3.46 114.93 110.82 1nnv h MET 24 Ca -0.49 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 56.56 1nnv h MET 24 Cb 1.99 0.01 0.14 0.00 0.06 0.00 0.00 31.60 33.81 1nnv h MET 24 CO 0.01 0.59 -0.12 0.00 1.06 0.00 0.00 176.91 178.44 1nnv n ALA 25 N -2.49 -0.63 -0.68 6.32 0.00 -0.99 -3.62 120.51 118.41 1nnv n ALA 25 Ca -0.09 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1nnv n ALA 25 Cb 0.32 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 1.50 1.43 0.00 0.00 0.00 -1.26 -4.91 105.19 101.94 1nnv n GLY 26 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1nnv n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nnv n GLU 27 N -1.01 0.00 0.00 1.61 -0.58 -1.24 -4.97 120.64 114.46 1nnv n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1nnv n GLU 27 Cb 0.17 -0.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 1nnv n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1nnv n ASN 28 N -1.01 4.70 -4.77 1.62 2.85 -1.26 -5.04 115.26 112.35 1nnv n ASN 28 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 1nnv n ASN 28 Cb 0.00 0.45 -0.02 0.00 1.24 0.00 0.00 39.78 41.45 1nnv n ASN 28 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1nnv s LEU 29 N -3.89 4.38 0.37 1.20 0.20 -1.26 -4.94 118.68 114.73 1nnv s LEU 29 Ca 0.00 2.53 -0.28 0.00 0.69 0.00 0.00 54.13 57.08 1nnv s LEU 29 Cb 0.00 -3.75 -0.11 0.00 -0.43 0.00 0.00 46.19 41.89 1nnv s LEU 29 CO 0.00 -0.53 1.42 0.47 -0.29 0.00 0.00 176.35 177.42 1nnv n ASP 30 N 0.64 3.43 -0.10 3.68 9.92 -1.26 -4.75 116.55 128.11 1nnv n ASP 30 Ca 0.01 1.21 -0.08 0.00 -0.53 0.00 0.00 54.79 55.40 1nnv n ASP 30 Cb 0.44 -1.58 -0.02 0.00 -0.64 0.00 0.00 41.12 39.32 1nnv n ASP 30 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nnv h PRO 31 N 2.76 -0.27 -0.96 -0.24 0.13 -1.97 -0.40 132.00 131.04 1nnv h PRO 31 Ca -0.49 0.02 0.21 0.00 -0.87 0.00 0.00 66.00 64.87 1nnv h PRO 31 Cb 1.26 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.33 1nnv h PRO 31 CO 0.63 -0.18 0.54 0.00 -0.23 0.00 0.00 178.00 178.76 1nnv h ALA 32 N 0.67 1.62 0.00 -0.56 0.00 -2.01 0.76 119.26 119.75 1nnv h ALA 32 Ca 0.16 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1nnv h ALA 32 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1nnv h ALA 32 CO -0.52 -0.19 -0.32 -0.44 0.00 0.00 0.00 179.25 177.79 1nnv h ASP 33 N 0.62 0.00 0.16 0.00 3.32 -1.47 -2.62 116.42 116.43 1nnv h ASP 33 Ca 0.59 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.63 1nnv h ASP 33 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1nnv h ASP 33 CO -0.44 0.32 -0.08 0.40 -1.72 0.00 0.00 179.24 177.72 1nnv h ILE 34 N 0.00 0.96 0.28 0.35 2.04 0.15 -2.59 117.51 118.70 1nnv h ILE 34 Ca -0.00 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1nnv h ILE 34 Cb 0.61 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1nnv h ILE 34 CO 0.04 0.14 -0.31 0.25 0.00 0.00 0.00 178.15 178.28 1nnv h LEU 35 N -0.52 -0.84 -1.05 1.44 5.85 -1.26 0.93 115.31 119.86 1nnv h LEU 35 Ca -0.02 0.08 0.22 0.00 0.84 0.00 0.00 57.88 59.00 1nnv h LEU 35 Cb 0.40 0.29 -0.11 0.00 0.37 0.00 0.00 40.66 41.61 1nnv h LEU 35 CO 0.04 -0.43 0.61 0.25 -0.34 0.00 0.00 178.44 178.56 1nnv h LEU 36 N -0.63 0.70 0.17 2.25 6.46 -1.53 1.34 115.31 124.06 1nnv h LEU 36 Ca -0.01 0.11 -0.30 0.00 -0.12 0.00 0.00 57.88 57.56 1nnv h LEU 36 Cb 0.59 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1nnv h LEU 36 CO -0.08 0.18 -1.38 0.15 -0.62 0.00 0.00 178.44 176.68 1nnv h PHE 37 N 0.64 0.65 0.00 1.25 3.57 -1.01 -2.97 116.94 119.08 1nnv h PHE 37 Ca 0.61 -0.48 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1nnv h PHE 37 Cb 1.11 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1nnv h PHE 37 CO -0.00 1.40 -0.35 -0.91 -2.23 0.00 0.00 178.31 176.22 1nnv h ASN 38 N 0.10 0.00 0.85 0.41 4.21 0.25 -3.24 115.58 118.15 1nnv h ASN 38 Ca -0.20 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.11 1nnv h ASN 38 Cb 2.05 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 39.21 1nnv h ASN 38 CO 0.22 0.35 -1.25 0.17 -1.29 0.00 0.00 177.43 175.63 1nnv h LEU 39 N 0.00 0.00 -6.35 1.61 8.10 0.16 -3.44 115.31 115.39 1nnv h LEU 39 Ca -0.00 0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.71 1nnv h LEU 39 Cb 1.19 0.00 -0.30 0.00 -0.44 0.00 0.00 40.66 41.11 1nnv h LEU 39 CO 0.05 0.78 -0.61 0.00 -4.11 0.00 0.00 178.44 174.54 1nnv s GLN 40 N -2.79 0.51 0.00 0.17 -2.07 -1.12 -4.96 119.66 109.40 1nnv s GLN 40 Ca -0.01 -0.34 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 1nnv s GLN 40 Cb 0.09 -0.51 0.00 0.00 -1.09 0.00 0.00 33.01 31.49 1nnv s GLN 40 CO 0.81 -1.11 0.00 0.34 -1.32 0.00 0.00 175.29 174.01 1nnv n PHE 41 N 4.85 0.00 0.03 9.60 7.35 -1.22 -4.60 117.46 133.47 1nnv n PHE 41 Ca 0.05 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.71 1nnv n PHE 41 Cb 0.48 0.01 -0.01 0.00 0.35 0.00 0.00 39.48 40.30 1nnv n PHE 41 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1nnv h GLU 42 N 0.00 -0.13 -0.85 -4.13 4.11 -1.93 0.85 114.58 112.50 1nnv h GLU 42 Ca 0.00 0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 1nnv h GLU 42 Cb 0.46 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1nnv h GLU 42 CO 0.00 -0.09 0.40 1.49 0.07 0.00 0.00 179.01 180.89 1nnv h GLU 43 N -0.14 1.22 -2.31 1.06 4.57 -1.98 -3.19 114.58 113.81 1nnv h GLU 43 Ca -0.01 -0.18 -0.67 0.00 -1.18 0.00 0.00 59.36 57.32 1nnv h GLU 43 Cb 0.12 -0.22 -0.37 0.00 -0.16 0.00 0.00 28.75 28.13 1nnv h GLU 43 CO -0.02 0.94 -0.03 0.54 -1.18 0.00 0.00 179.01 179.26 1nnv n ARG 44 N -4.30 3.91 -4.30 1.92 3.00 -1.14 -4.99 116.66 110.75 1nnv n ARG 44 Ca 0.08 -4.76 -0.34 0.00 -0.01 0.00 0.00 57.85 52.82 1nnv n ARG 44 Cb 0.14 -2.33 -0.11 0.00 0.00 0.00 0.00 32.46 30.17 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 -2.60 1.81 -0.11 -0.13 0.00 0.29 -3.64 107.32 102.95 1nnv s GLY 45 Ca 0.44 -0.80 -0.13 0.00 0.00 0.00 0.00 44.72 44.22 1nnv s GLY 45 CO -0.10 -0.23 0.36 -0.32 0.00 0.00 0.00 173.10 172.81 1nnv s GLY 46 N -0.10 -0.25 -0.44 0.20 0.00 -1.26 -4.82 107.32 100.66 1nnv s GLY 46 Ca 0.04 0.86 0.05 0.00 0.00 0.00 0.00 44.72 45.67 1nnv s GLY 46 CO 0.02 0.70 0.45 0.14 0.00 0.00 0.00 173.10 174.41 1nnv s VAL 47 N -0.20 -0.08 0.27 1.40 1.01 -1.26 -3.04 120.40 118.50 1nnv s VAL 47 Ca -0.03 -2.08 -0.29 0.00 0.00 0.00 0.00 61.98 59.57 1nnv s VAL 47 Cb -0.03 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.39 1nnv s VAL 47 CO 0.02 -0.85 1.03 -1.83 0.00 0.00 0.00 175.10 173.46 1nnv s GLU 48 N 0.38 4.70 -0.83 2.72 -1.05 -0.69 -4.85 118.70 119.09 1nnv s GLU 48 Ca 0.31 1.65 -0.11 0.00 -0.15 0.00 0.00 54.97 56.67 1nnv s GLU 48 Cb 0.01 -3.18 0.22 0.00 -0.44 0.00 0.00 34.13 30.74 1nnv s GLU 48 CO -0.14 0.32 0.75 0.12 0.95 0.00 0.00 175.26 177.25 1nnv s PHE 49 N -1.21 3.76 0.70 4.83 5.36 -1.26 -0.85 117.98 129.31 1nnv s PHE 49 Ca 0.44 -2.28 -0.03 0.00 -0.96 0.00 0.00 56.93 54.10 1nnv s PHE 49 Cb -0.29 -3.67 0.10 0.00 -0.34 0.00 0.00 43.02 38.82 1nnv s PHE 49 CO 0.36 -0.94 0.98 0.14 -1.46 0.00 0.00 175.22 174.30 1nnv s VAL 50 N -0.14 2.28 0.52 3.12 -7.23 0.13 -4.96 120.40 114.12 1nnv s VAL 50 Ca 0.20 -0.48 0.09 0.00 -1.81 0.00 0.00 61.98 59.98 1nnv s VAL 50 Cb -0.12 -2.80 0.06 0.00 0.56 0.00 0.00 36.38 34.07 1nnv s VAL 50 CO -0.08 0.00 0.69 -1.83 -0.31 0.00 0.00 175.10 173.57 1nnv s GLU 51 N -5.15 2.48 0.76 4.82 -1.05 -1.26 -2.41 118.70 116.89 1nnv s GLU 51 Ca 0.63 -1.53 -0.15 0.00 -0.15 0.00 0.00 54.97 53.78 1nnv s GLU 51 Cb -0.08 -2.65 0.05 0.00 -0.44 0.00 0.00 34.13 31.02 1nnv s GLU 51 CO 0.44 -0.64 1.23 0.99 0.95 0.00 0.00 175.26 178.24 1nnv s THR 52 N -2.56 2.05 0.00 1.83 2.01 -1.26 -4.67 115.64 113.04 1nnv s THR 52 Ca 0.58 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.60 1nnv s THR 52 Cb -0.07 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 69.84 1nnv s THR 52 CO 0.36 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.27 1nnv n ALA 53 N -2.87 0.00 0.02 7.40 0.00 -1.26 -4.88 120.51 118.91 1nnv n ALA 53 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 1nnv n ALA 53 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 1nnv n ALA 53 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1nnv h ASP 54 N 0.00 0.38 0.00 0.00 3.58 -1.95 -3.46 116.42 114.97 1nnv h ASP 54 Ca 0.00 -0.78 0.00 0.00 0.42 0.00 0.00 57.03 56.67 1nnv h ASP 54 Cb 0.00 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.93 1nnv h ASP 54 CO 0.00 1.69 0.00 -0.90 -2.88 0.00 0.00 179.24 177.15 1nnv n ASP 55 N -3.43 0.00 0.00 2.28 5.68 -1.26 -4.91 116.55 114.91 1nnv n ASP 55 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.01 1nnv n ASP 55 Cb 1.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.03 1nnv n ASP 55 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1nnv n TRP 56 N -1.06 0.00 -0.96 2.11 7.02 -1.26 -3.70 117.44 119.60 1nnv n TRP 56 Ca 0.00 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.20 1nnv n TRP 56 Cb 0.00 -0.74 -0.03 0.00 -2.42 0.00 0.00 31.31 28.12 1nnv n TRP 56 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1nnv n GLU 57 N -1.81 2.69 0.00 -0.99 1.02 -1.26 -3.22 120.64 117.07 1nnv n GLU 57 Ca 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 57.16 55.42 1nnv n GLU 57 Cb 0.05 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 28.91 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 3.89 0.00 0.00 3.49 -0.58 -1.26 -4.87 120.64 121.31 1nnv n GLU 58 Ca 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1nnv n GLU 58 Cb 0.19 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.06 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 -2.48 0.00 0.07 3.49 -0.58 -1.20 -4.44 120.64 115.50 1nnv n GLU 59 Ca 0.00 0.33 -0.11 0.00 -0.42 0.00 0.00 57.16 56.96 1nnv n GLU 59 Cb 0.00 -0.93 -0.01 0.00 -0.57 0.00 0.00 31.44 29.93 1nnv n GLU 59 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 1nnv h ILE 60 N 0.00 1.41 -2.67 -3.67 3.07 -1.97 -3.49 117.51 110.20 1nnv h ILE 60 Ca 0.00 -2.38 0.00 0.00 1.55 0.00 0.00 64.86 64.03 1nnv h ILE 60 Cb 0.00 2.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.88 1nnv h ILE 60 CO 0.00 0.71 0.00 0.61 -1.05 0.00 0.00 178.15 178.42 1nnv n GLY 61 N 0.80 -0.53 0.00 0.16 0.00 -1.23 -5.10 105.19 99.28 1nnv n GLY 61 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1nnv n GLY 61 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nnv n VAL 62 N -0.45 0.00 -2.18 1.61 0.24 -1.26 -5.00 118.33 111.29 1nnv n VAL 62 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1nnv n VAL 62 Cb 0.01 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.35 1nnv n VAL 62 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1nnv s LEU 63 N 0.00 4.28 -0.22 1.34 1.43 -1.26 -4.23 118.68 120.01 1nnv s LEU 63 Ca 0.00 2.04 0.01 0.00 -1.03 0.00 0.00 54.13 55.15 1nnv s LEU 63 Cb 0.00 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.73 1nnv s LEU 63 CO 0.00 -0.83 -0.09 -0.63 0.23 0.00 0.00 176.35 175.04 1nnv s ILE 64 N 3.48 1.68 -0.16 -0.59 -1.09 -1.24 -5.09 121.20 118.18 1nnv s ILE 64 Ca 0.65 -1.17 -0.29 0.00 -2.23 0.00 0.00 60.65 57.62 1nnv s ILE 64 Cb -0.29 -1.82 -0.05 0.00 -1.58 0.00 0.00 42.46 38.72 1nnv s ILE 64 CO 0.24 0.05 1.81 -1.81 -1.23 0.00 0.00 174.94 174.01 1nnv s ASP 65 N 1.35 6.21 0.66 3.58 1.01 -1.26 -4.80 116.67 123.43 1nnv s ASP 65 Ca -0.04 1.92 -0.17 0.00 0.71 0.00 0.00 52.55 54.97 1nnv s ASP 65 Cb -0.18 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.23 1nnv s ASP 65 CO -0.07 -1.35 1.25 -2.16 0.21 0.00 0.00 175.17 173.06 1nnv s PRO 66 N 4.95 2.50 0.00 8.23 0.04 -1.26 -2.53 135.00 146.92 1nnv s PRO 66 Ca 0.81 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1nnv s PRO 66 Cb -0.31 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1nnv s PRO 66 CO 0.33 -1.60 0.00 0.39 0.04 0.00 0.00 177.00 176.16 1nnv n GLU 67 N -2.09 0.00 -0.09 4.56 1.02 -1.26 -4.67 120.64 118.12 1nnv n GLU 67 Ca 0.15 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.37 1nnv n GLU 67 Cb 0.49 -0.25 0.31 0.00 -0.02 0.00 0.00 31.44 31.97 1nnv n GLU 67 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nnv n GLU 68 N -0.03 1.56 -3.95 3.49 1.02 -1.05 -4.86 120.64 116.82 1nnv n GLU 68 Ca 0.00 -0.85 -0.10 0.00 -0.02 0.00 0.00 57.16 56.19 1nnv n GLU 68 Cb 0.00 -1.31 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.78 0.21 -0.18 -0.32 2.02 -1.24 -3.78 117.35 112.28 1nnv s TYR 69 Ca 0.26 -0.46 -0.10 0.00 -0.37 0.00 0.00 57.07 56.40 1nnv s TYR 69 Cb 0.14 -0.16 -0.05 0.00 -0.40 0.00 0.00 41.96 41.49 1nnv s TYR 69 CO 0.20 -0.26 0.16 0.00 -1.57 0.00 0.00 175.55 174.09 1nnv s ALA 70 N -1.78 3.70 -0.29 3.71 0.00 0.25 -4.29 121.76 123.05 1nnv s ALA 70 Ca -0.12 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 1nnv s ALA 70 Cb -0.07 -2.18 0.05 0.00 0.00 0.00 0.00 23.12 20.92 1nnv s ALA 70 CO -0.01 0.22 -0.02 -2.00 0.00 0.00 0.00 175.76 173.94 1nnv s GLU 71 N 0.15 2.41 -0.09 0.00 2.56 -1.01 -1.61 118.70 121.12 1nnv s GLU 71 Ca 0.11 -1.27 0.02 0.00 0.00 0.00 0.00 54.97 53.82 1nnv s GLU 71 Cb -0.12 -3.12 -0.02 0.00 2.00 0.00 0.00 34.13 32.88 1nnv s GLU 71 CO 0.00 -0.60 -0.13 0.54 -0.56 0.00 0.00 175.26 174.51 1nnv s VAL 72 N 1.23 3.12 -0.06 3.70 0.11 -0.51 0.21 120.40 128.20 1nnv s VAL 72 Ca -0.06 -0.67 0.05 0.00 -2.93 0.00 0.00 61.98 58.37 1nnv s VAL 72 Cb -0.20 -2.27 -0.02 0.00 -1.53 0.00 0.00 36.38 32.37 1nnv s VAL 72 CO -0.02 0.56 -0.21 0.26 -3.33 0.00 0.00 175.10 172.36 1nnv s TRP 73 N -0.22 2.53 -0.20 1.54 0.52 -0.03 -0.26 118.94 122.82 1nnv s TRP 73 Ca 0.01 -0.54 -0.03 0.00 0.02 0.00 0.00 56.10 55.55 1nnv s TRP 73 Cb -0.13 -1.62 0.06 0.00 -1.15 0.00 0.00 33.47 30.63 1nnv s TRP 73 CO 0.03 -0.10 0.05 0.08 0.02 0.00 0.00 176.95 177.03 1nnv s VAL 74 N -0.29 0.41 0.00 4.03 1.01 -0.78 -1.70 120.40 123.08 1nnv s VAL 74 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1nnv s VAL 74 Cb -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1nnv s VAL 74 CO 0.03 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1nnv n GLY 75 N 5.09 3.63 3.25 4.51 0.00 -1.17 -1.68 105.19 118.81 1nnv n GLY 75 Ca -0.08 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 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 0.87 0.00 0.99 1.02 -0.83 -4.31 118.68 116.42 1nnv s LEU 76 Ca 0.00 -0.21 0.06 0.00 0.02 0.00 0.00 54.13 54.00 1nnv s LEU 76 Cb 0.00 1.37 -0.02 0.00 0.02 0.00 0.00 46.19 47.56 1nnv s LEU 76 CO 0.00 -0.63 0.24 1.33 0.02 0.00 0.00 176.35 177.32 1nnv n VAL 77 N 0.52 0.00 -4.21 -1.59 0.24 -1.24 -4.37 118.33 107.69 1nnv n VAL 77 Ca -0.18 -1.97 -0.13 0.00 -2.04 0.00 0.00 64.34 60.01 1nnv n VAL 77 Cb 0.60 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.94 1nnv n VAL 77 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1nnv n ASN 78 N -1.90 2.44 0.22 -1.34 0.23 -1.26 -4.67 115.26 108.98 1nnv n ASN 78 Ca 0.06 -1.88 0.08 0.00 -0.53 0.00 0.00 54.58 52.32 1nnv n ASN 78 Cb 0.50 0.12 0.52 0.00 -2.08 0.00 0.00 39.78 38.83 1nnv n ASN 78 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1nnv h GLU 79 N 0.00 0.00 0.00 -3.83 5.08 -1.98 -2.15 114.58 111.69 1nnv h GLU 79 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1nnv h GLU 79 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1nnv h GLU 79 CO 0.27 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.53 1nnv n GLN 80 N -3.68 0.04 -2.14 2.33 10.64 -1.26 -4.98 117.38 118.32 1nnv n GLN 80 Ca -0.01 0.02 -0.01 0.00 -1.83 0.00 0.00 57.00 55.17 1nnv n GLN 80 Cb 0.36 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.24 1nnv n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1nnv n ASP 81 N -1.48 -5.16 -3.87 2.61 2.03 -0.81 -5.09 116.55 104.78 1nnv n ASP 81 Ca 0.07 0.70 -0.11 0.00 0.52 0.00 0.00 54.79 55.97 1nnv n ASP 81 Cb 0.32 -3.28 -0.11 0.00 -0.72 0.00 0.00 41.12 37.33 1nnv n ASP 81 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1nnv s GLU 82 N -0.97 0.38 -0.69 -0.67 2.02 -1.26 -4.95 118.70 112.55 1nnv s GLU 82 Ca 0.02 -0.24 0.05 0.00 0.02 0.00 0.00 54.97 54.81 1nnv s GLU 82 Cb -0.00 0.16 0.17 0.00 0.10 0.00 0.00 34.13 34.55 1nnv s GLU 82 CO 0.41 -0.08 0.48 1.41 0.02 0.00 0.00 175.26 177.50 1nnv s MET 83 N -0.97 2.39 0.00 1.61 1.75 -1.26 -4.29 119.30 118.53 1nnv s MET 83 Ca -0.11 -3.28 0.02 0.00 -1.25 0.00 0.00 55.69 51.07 1nnv s MET 83 Cb -0.06 -3.34 -0.00 0.00 2.84 0.00 0.00 34.83 34.27 1nnv s MET 83 CO 0.01 -1.28 0.28 -0.25 -0.65 0.00 0.00 175.02 173.13 1nnv n ASP 84 N 2.04 0.55 -3.75 1.11 9.92 -1.26 -4.86 116.55 120.29 1nnv n ASP 84 Ca 0.20 -0.77 -0.29 0.00 -0.53 0.00 0.00 54.79 53.40 1nnv n ASP 84 Cb 0.35 0.55 -0.12 0.00 -0.64 0.00 0.00 41.12 41.26 1nnv n ASP 84 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1nnv s ASP 85 N -0.69 3.73 -0.07 -2.24 1.01 -1.26 -5.09 116.67 112.05 1nnv s ASP 85 Ca 0.01 -3.16 -0.20 0.00 0.71 0.00 0.00 52.55 49.91 1nnv s ASP 85 Cb 0.01 -1.20 -0.04 0.00 1.01 0.00 0.00 42.92 42.69 1nnv s ASP 85 CO 0.04 -0.18 0.56 0.54 0.21 0.00 0.00 175.17 176.34 1nnv s VAL 86 N -0.38 5.07 -0.09 -1.27 0.11 -1.26 -1.96 120.40 120.63 1nnv s VAL 86 Ca 0.23 1.14 -0.02 0.00 -2.93 0.00 0.00 61.98 60.40 1nnv s VAL 86 Cb -0.13 -3.90 -0.26 0.00 -1.53 0.00 0.00 36.38 30.57 1nnv s VAL 86 CO -0.09 0.34 0.50 -0.26 -3.33 0.00 0.00 175.10 172.27 1nnv h PHE 87 N 6.36 0.37 -4.00 1.54 0.04 -1.72 -3.43 116.94 116.10 1nnv h PHE 87 Ca -0.43 -0.27 -0.11 0.00 2.80 0.00 0.00 57.97 59.96 1nnv h PHE 87 Cb 1.19 -0.01 -0.14 0.00 2.20 0.00 0.00 35.95 39.19 1nnv h PHE 87 CO 0.64 1.55 -0.46 0.00 -0.60 0.00 0.00 178.31 179.44 1nnv s ALA 88 N -2.57 0.13 -0.10 2.45 0.00 -0.68 -2.15 121.76 118.84 1nnv s ALA 88 Ca -0.16 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 1nnv s ALA 88 Cb 0.07 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.83 1nnv s ALA 88 CO 0.80 -0.51 0.24 0.15 0.00 0.00 0.00 175.76 176.43 1nnv s LYS 89 N -3.93 0.20 0.11 0.00 1.02 -0.22 -1.86 119.74 115.07 1nnv s LYS 89 Ca 0.11 0.50 0.10 0.00 0.02 0.00 0.00 55.97 56.71 1nnv s LYS 89 Cb 0.05 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.22 1nnv s LYS 89 CO -0.06 -0.16 -0.26 -0.06 -0.92 0.00 0.00 175.35 173.89 1nnv s PHE 90 N 1.18 2.28 -0.13 3.18 0.40 0.64 0.55 117.98 126.08 1nnv s PHE 90 Ca -0.09 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 55.85 1nnv s PHE 90 Cb -0.10 -1.26 0.03 0.00 0.51 0.00 0.00 43.02 42.20 1nnv s PHE 90 CO -0.08 0.28 -0.07 -0.51 0.70 0.00 0.00 175.22 175.55 1nnv s LEU 91 N -1.86 1.35 0.06 -0.37 1.43 -0.99 -1.43 118.68 116.87 1nnv s LEU 91 Ca 0.13 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.84 1nnv s LEU 91 Cb -0.10 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 1nnv s LEU 91 CO 0.05 -0.14 -0.15 0.27 0.23 0.00 0.00 176.35 176.60 1nnv s ILE 92 N 1.68 1.23 -0.18 -0.59 -4.36 -0.63 -1.27 121.20 117.07 1nnv s ILE 92 Ca 0.03 -1.21 -0.28 0.00 -0.26 0.00 0.00 60.65 58.93 1nnv s ILE 92 Cb -0.14 -1.13 -0.00 0.00 1.25 0.00 0.00 42.46 42.44 1nnv s ILE 92 CO -0.08 -0.08 0.99 -0.44 0.24 0.00 0.00 174.94 175.57 1nnv s SER 93 N -1.48 7.11 0.36 4.36 0.01 -0.98 -0.59 113.70 122.50 1nnv s SER 93 Ca 0.01 1.38 0.23 0.00 1.31 0.00 0.00 55.95 58.88 1nnv s SER 93 Cb -0.09 -2.53 1.24 0.00 0.21 0.00 0.00 66.02 64.85 1nnv s SER 93 CO 0.02 -0.56 1.68 0.45 0.41 0.00 0.00 173.24 175.25 1nnv h HIS 94 N 7.34 0.00 -1.84 2.43 -0.00 -1.90 -3.43 115.15 117.75 1nnv h HIS 94 Ca -0.24 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 59.95 1nnv h HIS 94 Cb 1.10 0.00 0.10 0.00 -0.00 0.00 0.00 27.41 28.61 1nnv h HIS 94 CO 0.73 0.00 -0.09 0.54 -0.00 0.00 0.00 177.93 179.12 1nnv n ARG 95 N -2.32 -1.89 0.04 2.45 1.74 -1.26 -4.75 116.66 110.67 1nnv n ARG 95 Ca -0.02 -0.71 0.00 0.00 -0.77 0.00 0.00 57.85 56.36 1nnv n ARG 95 Cb 0.08 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1nnv n ARG 95 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1nnv n GLU 96 N -2.21 0.00 0.00 5.56 2.13 -1.26 -4.77 120.64 120.10 1nnv n GLU 96 Ca 0.07 0.00 0.15 0.00 0.66 0.00 0.00 57.16 58.04 1nnv n GLU 96 Cb 0.29 -0.38 0.89 0.00 0.27 0.00 0.00 31.44 32.51 1nnv n GLU 96 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1nnv n GLU 97 N -3.24 0.94 -3.22 5.31 0.28 -1.26 -4.49 120.64 114.97 1nnv n GLU 97 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1nnv n GLU 97 Cb 0.16 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.50 1nnv n GLU 97 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1nnv s ASP 98 N -1.99 -0.82 -0.13 -1.84 -1.08 -1.26 -5.14 116.67 104.41 1nnv s ASP 98 Ca 0.45 0.30 -0.00 0.00 -0.52 0.00 0.00 52.55 52.78 1nnv s ASP 98 Cb 0.21 1.73 0.03 0.00 -1.46 0.00 0.00 42.92 43.43 1nnv s ASP 98 CO 0.35 -0.30 -0.07 -0.60 0.52 0.00 0.00 175.17 175.07 1nnv s ARG 99 N 2.73 1.49 -0.20 4.34 3.52 -1.26 -4.33 118.95 125.25 1nnv s ARG 99 Ca 0.14 -0.32 -0.07 0.00 -0.13 0.00 0.00 55.73 55.34 1nnv s ARG 99 Cb -0.13 -1.70 -0.04 0.00 -1.56 0.00 0.00 34.95 31.52 1nnv s ARG 99 CO -0.23 -0.31 0.06 -2.00 -0.81 0.00 0.00 175.30 172.00 1nnv s GLU 100 N 1.69 3.88 -0.04 5.12 2.56 -1.26 -4.86 118.70 125.79 1nnv s GLU 100 Ca 0.04 -0.39 0.06 0.00 0.00 0.00 0.00 54.97 54.68 1nnv s GLU 100 Cb -0.13 -3.23 -0.02 0.00 2.00 0.00 0.00 34.13 32.75 1nnv s GLU 100 CO -0.08 0.16 -0.22 -0.59 -0.56 0.00 0.00 175.26 173.96 1nnv s PHE 101 N 0.69 2.46 -0.28 5.30 -0.71 -1.25 -2.31 117.98 121.88 1nnv s PHE 101 Ca 0.03 -0.42 -0.01 0.00 -1.04 0.00 0.00 56.93 55.49 1nnv s PHE 101 Cb -0.13 -1.56 0.13 0.00 -1.21 0.00 0.00 43.02 40.25 1nnv s PHE 101 CO 0.02 -0.01 0.30 -3.38 -1.34 0.00 0.00 175.22 170.80 1nnv s HIS 102 N -0.54 -0.51 -0.03 3.49 -3.43 -0.40 -4.96 115.29 108.91 1nnv s HIS 102 Ca 0.07 -0.04 -0.04 0.00 -0.80 0.00 0.00 55.06 54.26 1nnv s HIS 102 Cb -0.11 -0.40 -0.04 0.00 -1.43 0.00 0.00 32.58 30.60 1nnv s HIS 102 CO 0.00 -0.88 0.18 0.54 -2.00 0.00 0.00 174.74 172.58 1nnv s VAL 103 N 2.38 5.45 -0.09 -5.38 0.11 -1.25 -2.36 120.40 119.25 1nnv s VAL 103 Ca 0.09 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 1nnv s VAL 103 Cb -0.14 -3.51 -0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1nnv s VAL 103 CO -0.30 0.39 -0.24 0.27 -3.33 0.00 0.00 175.10 171.90 1nnv s ILE 104 N -1.26 2.08 0.14 7.04 -4.36 0.19 -4.91 121.20 120.12 1nnv s ILE 104 Ca 0.25 -1.02 0.04 0.00 -0.26 0.00 0.00 60.65 59.66 1nnv s ILE 104 Cb -0.13 -1.78 -0.04 0.00 1.25 0.00 0.00 42.46 41.77 1nnv s ILE 104 CO 0.15 0.56 0.12 0.26 0.24 0.00 0.00 174.94 176.28 1nnv s TRP 105 N 0.24 3.17 0.94 1.37 0.52 -1.26 -1.05 118.94 122.87 1nnv s TRP 105 Ca -0.16 0.01 -0.11 0.00 0.02 0.00 0.00 56.10 55.86 1nnv s TRP 105 Cb -0.17 -1.55 0.10 0.00 -1.15 0.00 0.00 33.47 30.70 1nnv s TRP 105 CO 0.08 0.52 0.79 1.63 0.02 0.00 0.00 176.95 179.99 1nnv n LYS 106 N -0.13 -0.47 0.00 4.98 5.02 -0.92 -4.95 118.16 121.70 1nnv n LYS 106 Ca -0.08 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1nnv n LYS 106 Cb 0.54 -2.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 1nnv n LYS 106 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51