#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 0.69 -3.82 3.17 -1.04 -1.26 -4.94 114.28 107.08 1nnv n THR 2 Ca 0.00 -0.37 -0.29 0.00 -2.04 0.00 0.00 64.05 61.36 1nnv n THR 2 Cb 0.00 -0.81 -0.16 0.00 -1.82 0.00 0.00 70.33 67.54 1nnv n THR 2 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1nnv s THR 3 N -2.24 0.91 0.00 12.58 -1.32 -1.26 -5.01 115.64 119.29 1nnv s THR 3 Ca -0.09 -0.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 1nnv s THR 3 Cb 0.03 -1.31 0.00 0.00 -1.51 0.00 0.00 72.50 69.71 1nnv s THR 3 CO 0.36 -0.15 0.00 -1.84 -2.21 0.00 0.00 174.62 170.78 1nnv n GLU 4 N 4.91 0.00 -4.44 7.08 0.28 -1.26 -5.16 120.64 122.05 1nnv n GLU 4 Ca -0.10 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.65 1nnv n GLU 4 Cb 0.46 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 33.16 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 0.00 1.13 -0.22 3.84 1.01 -1.26 -4.97 121.20 120.73 1nnv s ILE 5 Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 1nnv s ILE 5 Cb 0.00 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1nnv s ILE 5 CO 0.00 0.36 0.04 -0.54 0.00 0.00 0.00 174.94 174.80 1nnv s LYS 6 N 0.89 3.70 0.76 2.79 1.02 -1.26 -5.03 119.74 122.60 1nnv s LYS 6 Ca -0.10 -0.47 -0.03 0.00 0.02 0.00 0.00 55.97 55.38 1nnv s LYS 6 Cb -0.15 -3.20 0.14 0.00 -0.52 0.00 0.00 37.83 34.10 1nnv s LYS 6 CO 0.01 -0.02 1.05 0.15 -0.92 0.00 0.00 175.35 175.62 1nnv s LYS 7 N 1.14 1.51 -0.01 1.68 -0.14 -1.26 -3.07 119.74 119.58 1nnv s LYS 7 Ca 0.04 -0.99 0.00 0.00 -1.36 0.00 0.00 55.97 53.66 1nnv s LYS 7 Cb -0.14 -2.25 0.01 0.00 -1.68 0.00 0.00 37.83 33.77 1nnv s LYS 7 CO 0.02 -1.61 0.01 -0.51 -0.76 0.00 0.00 175.35 172.50 1nnv s LEU 8 N -5.27 1.58 0.74 3.17 1.43 -1.26 -4.96 118.68 114.11 1nnv s LEU 8 Ca 0.68 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.66 1nnv s LEU 8 Cb -0.05 -0.07 0.04 0.00 0.03 0.00 0.00 46.19 46.13 1nnv s LEU 8 CO 0.46 -0.05 1.10 -1.81 0.23 0.00 0.00 176.35 176.28 1nnv s ASP 9 N 0.49 5.08 0.07 2.29 1.11 -1.26 -4.79 116.67 119.66 1nnv s ASP 9 Ca -0.04 1.17 -0.36 0.00 0.18 0.00 0.00 52.55 53.50 1nnv s ASP 9 Cb -0.06 -1.93 -0.18 0.00 1.07 0.00 0.00 42.92 41.82 1nnv s ASP 9 CO -0.01 -1.58 1.58 1.55 1.18 0.00 0.00 175.17 177.89 1nnv h PRO 10 N -0.82 -1.07 -0.02 8.23 0.13 -2.01 0.52 132.00 136.95 1nnv h PRO 10 Ca -0.46 0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1nnv h PRO 10 Cb 1.26 0.24 -0.01 0.00 0.13 0.00 0.00 31.00 32.63 1nnv h PRO 10 CO 0.62 -0.72 -0.18 0.22 -0.23 0.00 0.00 178.00 177.72 1nnv h ASP 11 N -1.11 0.03 -0.12 1.44 1.82 -2.00 -2.52 116.42 113.96 1nnv h ASP 11 Ca -0.09 -0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.38 1nnv h ASP 11 Cb 0.90 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.91 1nnv h ASP 11 CO 0.08 0.22 -0.55 0.74 -1.61 0.00 0.00 179.24 178.11 1nnv h THR 12 N 0.03 1.35 -0.51 2.25 2.02 -1.87 -2.17 112.91 114.01 1nnv h THR 12 Ca 0.00 -1.84 -0.01 0.00 0.77 0.00 0.00 66.41 65.34 1nnv h THR 12 Cb 0.34 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 1nnv h THR 12 CO 0.02 0.56 0.29 0.00 0.37 0.00 0.00 175.52 176.77 1nnv h ALA 13 N 0.50 1.55 0.31 6.16 0.00 0.33 -2.61 119.26 125.50 1nnv h ALA 13 Ca -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1nnv h ALA 13 Cb 1.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1nnv h ALA 13 CO 0.11 0.38 -0.15 0.82 0.00 0.00 0.00 179.25 180.42 1nnv h ILE 14 N 0.70 0.43 -1.01 0.00 2.04 -1.44 -2.93 117.51 115.30 1nnv h ILE 14 Ca 0.18 -0.79 0.36 0.00 1.00 0.00 0.00 64.86 65.61 1nnv h ILE 14 Cb -0.00 0.70 -0.16 0.00 -0.74 0.00 0.00 36.82 36.62 1nnv h ILE 14 CO -0.03 0.10 0.57 0.44 0.00 0.00 0.00 178.15 179.23 1nnv h ASP 15 N -0.98 0.44 0.53 1.72 3.32 -1.27 0.37 116.42 120.55 1nnv h ASP 15 Ca -0.04 0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1nnv h ASP 15 Cb 0.49 0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.22 1nnv h ASP 15 CO 0.07 -0.24 -0.25 0.40 -1.72 0.00 0.00 179.24 177.50 1nnv h ILE 16 N 0.21 0.33 -0.31 0.35 2.04 -1.50 -2.57 117.51 116.06 1nnv h ILE 16 Ca 0.78 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 66.33 1nnv h ILE 16 Cb 1.89 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1nnv h ILE 16 CO -0.65 0.05 0.24 0.00 0.00 0.00 0.00 178.15 177.78 1nnv h ALA 17 N -0.74 2.22 0.47 1.87 0.00 -0.74 -2.20 119.26 120.14 1nnv h ALA 17 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1nnv h ALA 17 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1nnv h ALA 17 CO 0.12 -0.40 -0.23 -0.92 0.00 0.00 0.00 179.25 177.83 1nnv h TYR 18 N 0.00 -0.58 -0.49 0.00 5.03 -0.20 -2.35 116.97 118.37 1nnv h TYR 18 Ca 0.15 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.56 1nnv h TYR 18 Cb 0.62 0.19 -0.02 0.00 1.55 0.00 0.00 36.73 39.07 1nnv h TYR 18 CO 0.00 -0.29 0.34 0.38 -1.32 0.00 0.00 178.16 177.27 1nnv h ASP 19 N -0.79 0.12 0.00 -2.11 3.04 -1.00 -2.27 116.42 113.41 1nnv h ASP 19 Ca -0.06 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 1nnv h ASP 19 Cb 0.55 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 1nnv h ASP 19 CO 0.11 0.07 0.00 -0.38 -2.04 0.00 0.00 179.24 177.00 1nnv n ILE 20 N -4.43 0.00 -0.59 4.15 5.41 -1.02 -2.50 119.36 120.37 1nnv n ILE 20 Ca 0.08 1.07 0.47 0.00 1.00 0.00 0.00 62.75 65.37 1nnv n ILE 20 Cb 0.47 -1.97 0.74 0.00 -0.71 0.00 0.00 39.64 38.17 1nnv n ILE 20 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1nnv n PHE 21 N -1.30 0.32 -0.19 1.39 7.35 -0.91 0.18 117.46 124.29 1nnv n PHE 21 Ca 0.00 0.32 -0.08 0.00 -0.76 0.00 0.00 57.45 56.93 1nnv n PHE 21 Cb 0.00 -0.79 0.02 0.00 0.35 0.00 0.00 39.48 39.06 1nnv n PHE 21 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1nnv h LEU 22 N 0.00 0.77 0.00 -2.13 5.85 -1.32 -2.64 115.31 115.84 1nnv h LEU 22 Ca 0.90 -0.20 -0.25 0.00 0.84 0.00 0.00 57.88 59.17 1nnv h LEU 22 Cb 3.29 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 44.07 1nnv h LEU 22 CO -0.22 0.76 -2.00 -1.84 -0.34 0.00 0.00 178.44 174.80 1nnv n GLU 23 N -4.48 1.49 0.17 1.25 -0.00 0.31 -4.68 120.64 114.69 1nnv n GLU 23 Ca 0.02 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.16 57.06 1nnv n GLU 23 Cb 0.19 -1.38 -0.06 0.00 -0.00 0.00 0.00 31.44 30.19 1nnv n GLU 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1nnv h MET 24 N 0.00 -0.47 -6.12 3.44 2.86 0.18 -3.44 114.93 111.38 1nnv h MET 24 Ca -0.37 0.03 -0.69 0.00 -2.06 0.00 0.00 59.70 56.60 1nnv h MET 24 Cb 1.83 0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.60 1nnv h MET 24 CO 0.02 -0.19 1.13 0.00 1.06 0.00 0.00 176.91 178.92 1nnv n ALA 25 N -2.66 0.46 -1.00 6.32 0.00 -0.99 -4.46 120.51 118.18 1nnv n ALA 25 Ca -0.08 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1nnv n ALA 25 Cb 0.25 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 5.10 -2.32 0.16 0.00 0.00 -1.26 -4.92 105.19 101.95 1nnv n GLY 26 Ca 0.31 0.82 0.12 0.00 0.00 0.00 0.00 46.02 47.27 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 -0.00 1.21 -0.07 1.61 1.02 -1.26 -4.11 120.64 119.03 1nnv n GLU 27 Ca 0.00 -0.31 -0.09 0.00 -0.02 0.00 0.00 57.16 56.74 1nnv n GLU 27 Cb 0.00 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1nnv n GLU 27 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nnv n ASN 28 N -0.52 1.80 -4.75 1.62 3.02 -1.26 -4.98 115.26 110.19 1nnv n ASN 28 Ca 0.17 0.30 -0.41 0.00 -0.03 0.00 0.00 54.58 54.61 1nnv n ASN 28 Cb 0.16 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.63 1nnv n ASN 28 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1nnv s LEU 29 N -7.73 4.38 0.19 3.41 0.20 -1.26 -4.90 118.68 112.96 1nnv s LEU 29 Ca -0.25 2.75 -0.31 0.00 0.69 0.00 0.00 54.13 57.01 1nnv s LEU 29 Cb 0.04 -3.63 -0.17 0.00 -0.43 0.00 0.00 46.19 42.01 1nnv s LEU 29 CO 0.37 -0.75 0.83 0.47 -0.29 0.00 0.00 176.35 176.97 1nnv n ASP 30 N 2.22 -0.02 -0.30 3.68 9.92 -1.24 -4.74 116.55 126.07 1nnv n ASP 30 Ca 0.07 1.15 0.12 0.00 -0.53 0.00 0.00 54.79 55.60 1nnv n ASP 30 Cb 0.40 -1.07 0.29 0.00 -0.64 0.00 0.00 41.12 40.09 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 1.96 0.38 0.24 -0.24 0.13 -1.90 -2.21 132.00 130.36 1nnv h PRO 31 Ca -0.37 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1nnv h PRO 31 Cb 1.40 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1nnv h PRO 31 CO 0.61 0.25 -0.47 0.00 -0.23 0.00 0.00 178.00 178.16 1nnv h ALA 32 N 1.69 -0.93 -0.09 -0.56 0.00 -1.93 -0.78 119.26 116.66 1nnv h ALA 32 Ca 0.54 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.36 1nnv h ALA 32 Cb 1.01 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 1nnv h ALA 32 CO -0.52 -1.08 0.12 -0.44 0.00 0.00 0.00 179.25 177.32 1nnv h ASP 33 N -0.79 0.00 0.06 0.00 5.19 -1.76 -1.81 116.42 117.31 1nnv h ASP 33 Ca -0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1nnv h ASP 33 Cb 0.76 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.27 1nnv h ASP 33 CO -0.20 0.00 -0.03 0.40 -3.12 0.00 0.00 179.24 176.29 1nnv h ILE 34 N 0.00 1.20 -0.24 0.35 2.04 -0.72 -0.53 117.51 119.61 1nnv h ILE 34 Ca 0.04 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 65.07 1nnv h ILE 34 Cb 0.28 1.78 -0.06 0.00 -0.74 0.00 0.00 36.82 38.08 1nnv h ILE 34 CO -0.00 0.22 -0.13 0.25 0.00 0.00 0.00 178.15 178.49 1nnv h LEU 35 N -0.48 -0.43 0.50 1.44 5.85 -0.48 -1.37 115.31 120.35 1nnv h LEU 35 Ca -0.01 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1nnv h LEU 35 Cb 0.42 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1nnv h LEU 35 CO 0.01 -0.16 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.62 1nnv h LEU 36 N -0.11 -0.61 -1.99 2.25 4.07 -1.51 -1.25 115.31 116.16 1nnv h LEU 36 Ca 0.13 0.02 0.40 0.00 0.08 0.00 0.00 57.88 58.51 1nnv h LEU 36 Cb 0.30 0.16 -0.06 0.00 1.08 0.00 0.00 40.66 42.15 1nnv h LEU 36 CO -0.30 -0.43 0.99 0.15 -1.08 0.00 0.00 178.44 177.77 1nnv h PHE 37 N -0.70 0.01 0.00 1.13 3.57 -0.75 0.63 116.94 120.84 1nnv h PHE 37 Ca -0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1nnv h PHE 37 Cb 0.54 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1nnv h PHE 37 CO -0.05 -0.00 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.10 1nnv h ASN 38 N 0.00 0.00 0.39 0.41 -0.26 -0.50 -3.35 115.58 112.28 1nnv h ASN 38 Ca 0.66 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 56.30 1nnv h ASN 38 Cb 2.63 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 39.89 1nnv h ASN 38 CO -0.01 0.55 -0.03 -0.07 -1.06 0.00 0.00 177.43 176.82 1nnv h LEU 39 N -1.00 0.00 -7.09 1.61 -0.00 -0.24 -3.41 115.31 105.18 1nnv h LEU 39 Ca -0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.70 1nnv h LEU 39 Cb 0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 40.66 40.46 1nnv h LEU 39 CO -0.00 0.03 -0.48 0.00 -0.00 0.00 0.00 178.44 177.98 1nnv s GLN 40 N -4.03 0.22 0.00 1.13 -2.07 0.21 -4.94 119.66 110.18 1nnv s GLN 40 Ca -0.03 0.79 0.00 0.00 -1.82 0.00 0.00 55.36 54.31 1nnv s GLN 40 Cb 0.12 -0.02 0.00 0.00 -1.09 0.00 0.00 33.01 32.02 1nnv s GLN 40 CO 0.49 -0.33 0.00 0.34 -1.32 0.00 0.00 175.29 174.48 1nnv n PHE 41 N 5.36 0.00 -0.01 9.60 7.35 -1.25 -3.91 117.46 134.60 1nnv n PHE 41 Ca -0.07 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.53 1nnv n PHE 41 Cb 0.50 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.26 1nnv n PHE 41 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1nnv h GLU 42 N 0.00 -0.36 0.08 -4.13 4.81 -1.89 1.42 114.58 114.52 1nnv h GLU 42 Ca 0.00 0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 59.00 1nnv h GLU 42 Cb 0.00 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1nnv h GLU 42 CO 0.00 -0.24 -1.17 1.49 -0.73 0.00 0.00 179.01 178.36 1nnv h GLU 43 N -0.37 0.17 -1.05 1.92 4.81 -1.97 -3.28 114.58 114.82 1nnv h GLU 43 Ca 0.02 -0.29 -0.50 0.00 -0.13 0.00 0.00 59.36 58.46 1nnv h GLU 43 Cb 0.44 0.11 -0.26 0.00 0.63 0.00 0.00 28.75 29.67 1nnv h GLU 43 CO -0.29 1.13 0.64 0.54 -0.73 0.00 0.00 179.01 180.30 1nnv n ARG 44 N -3.46 2.22 -2.82 1.92 3.00 -1.11 -4.69 116.66 111.72 1nnv n ARG 44 Ca -0.06 -2.71 -0.38 0.00 -0.01 0.00 0.00 57.85 54.69 1nnv n ARG 44 Cb 1.00 -2.06 0.00 0.00 0.00 0.00 0.00 32.46 31.40 1nnv n ARG 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1nnv n GLY 45 N -0.82 5.76 3.56 -0.13 0.00 0.49 -2.61 105.19 111.43 1nnv n GLY 45 Ca 0.53 -2.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 1nnv n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nnv s GLY 46 N -1.87 1.90 -0.43 -0.02 0.00 -1.26 -5.01 107.32 100.63 1nnv s GLY 46 Ca 0.39 -1.12 -0.13 0.00 0.00 0.00 0.00 44.72 43.86 1nnv s GLY 46 CO -0.07 0.95 0.31 0.14 0.00 0.00 0.00 173.10 174.43 1nnv s VAL 47 N 2.00 4.89 0.32 1.40 1.01 -1.26 -4.12 120.40 124.63 1nnv s VAL 47 Ca 0.12 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1nnv s VAL 47 Cb -0.16 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 1nnv s VAL 47 CO 0.11 -0.44 0.72 -1.83 0.00 0.00 0.00 175.10 173.66 1nnv s GLU 48 N 1.58 3.95 -0.07 2.72 -1.05 -0.98 -4.90 118.70 119.95 1nnv s GLU 48 Ca 0.04 0.60 -0.03 0.00 -0.15 0.00 0.00 54.97 55.43 1nnv s GLU 48 Cb -0.22 -2.45 -0.04 0.00 -0.44 0.00 0.00 34.13 30.99 1nnv s GLU 48 CO 0.06 0.15 0.08 0.12 0.95 0.00 0.00 175.26 176.62 1nnv s PHE 49 N -2.02 3.35 0.01 4.83 5.36 -1.26 -1.83 117.98 126.43 1nnv s PHE 49 Ca 0.53 0.31 -0.15 0.00 -0.96 0.00 0.00 56.93 56.66 1nnv s PHE 49 Cb -0.10 -1.82 0.02 0.00 -0.34 0.00 0.00 43.02 40.78 1nnv s PHE 49 CO 0.20 0.59 0.32 0.14 -1.46 0.00 0.00 175.22 175.00 1nnv s VAL 50 N -1.03 0.07 0.35 3.12 -7.23 -0.26 -5.00 120.40 110.42 1nnv s VAL 50 Ca 0.17 -0.56 -0.01 0.00 -1.81 0.00 0.00 61.98 59.77 1nnv s VAL 50 Cb -0.12 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 1nnv s VAL 50 CO 0.07 -0.31 0.58 -1.61 -0.31 0.00 0.00 175.10 173.52 1nnv s GLU 51 N -1.93 3.52 1.05 4.82 2.02 -1.26 -1.24 118.70 125.68 1nnv s GLU 51 Ca -0.09 -0.19 -0.21 0.00 0.02 0.00 0.00 54.97 54.50 1nnv s GLU 51 Cb -0.03 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 1nnv s GLU 51 CO 0.01 0.11 -0.55 2.41 0.02 0.00 0.00 175.26 177.26 1nnv n THR 52 N -1.68 0.00 -3.06 3.63 -1.04 -1.19 -4.70 114.28 106.24 1nnv n THR 52 Ca -0.03 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1nnv n THR 52 Cb 0.56 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 1nnv n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nnv n ALA 53 N -3.82 0.00 -1.43 2.41 0.00 -1.26 -4.63 120.51 111.78 1nnv n ALA 53 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1nnv n ALA 53 Cb 0.65 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.26 1nnv n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nnv n ASP 54 N -2.43 3.91 0.00 0.00 9.92 -1.26 -4.11 116.55 122.58 1nnv n ASP 54 Ca 0.00 -3.74 0.00 0.00 -0.53 0.00 0.00 54.79 50.52 1nnv n ASP 54 Cb 0.00 -0.72 0.00 0.00 -0.64 0.00 0.00 41.12 39.76 1nnv n ASP 54 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1nnv n ASP 55 N -1.06 0.00 0.00 -2.24 5.75 -1.26 -5.01 116.55 112.73 1nnv n ASP 55 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.25 1nnv n ASP 55 Cb 1.16 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 41.33 1nnv n ASP 55 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1nnv n TRP 56 N -1.42 0.00 1.22 2.11 7.02 -1.26 -3.83 117.44 121.27 1nnv n TRP 56 Ca 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.59 1nnv n TRP 56 Cb 0.00 -1.08 0.60 0.00 -2.42 0.00 0.00 31.31 28.40 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 -1.10 0.55 -0.12 -0.99 1.02 -1.26 -1.48 120.64 117.26 1nnv n GLU 57 Ca 0.00 0.03 -0.21 0.00 -0.02 0.00 0.00 57.16 56.96 1nnv n GLU 57 Cb 0.19 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 1nnv n GLU 57 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1nnv n GLU 58 N -1.09 0.57 0.08 3.49 0.28 -1.26 -3.54 120.64 119.17 1nnv n GLU 58 Ca 0.14 0.18 -0.09 0.00 -0.16 0.00 0.00 57.16 57.22 1nnv n GLU 58 Cb 0.10 -1.45 -0.06 0.00 1.43 0.00 0.00 31.44 31.46 1nnv n GLU 58 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1nnv h GLU 59 N -0.37 -0.28 0.00 3.44 4.39 -1.96 -3.40 114.58 116.40 1nnv h GLU 59 Ca -0.58 0.02 -0.32 0.00 0.34 0.00 0.00 59.36 58.82 1nnv h GLU 59 Cb 1.72 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 30.37 1nnv h GLU 59 CO -0.21 0.06 -2.22 0.44 -1.16 0.00 0.00 179.01 175.93 1nnv n ILE 60 N -4.97 1.22 0.00 3.13 -5.35 -1.01 -5.03 119.36 107.35 1nnv n ILE 60 Ca -0.07 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 1nnv n ILE 60 Cb 0.24 -0.98 0.00 0.00 -1.74 0.00 0.00 39.64 37.16 1nnv n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nnv n GLY 61 N 2.25 3.10 3.79 3.28 0.00 -0.55 -5.00 105.19 112.06 1nnv n GLY 61 Ca -0.34 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 1nnv n GLY 61 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nnv s VAL 62 N 0.00 3.58 0.79 1.61 -7.23 -1.26 -4.11 120.40 113.77 1nnv s VAL 62 Ca 0.00 0.86 -0.13 0.00 -1.81 0.00 0.00 61.98 60.89 1nnv s VAL 62 Cb 0.00 -3.34 0.07 0.00 0.56 0.00 0.00 36.38 33.67 1nnv s VAL 62 CO 0.00 -0.34 1.17 -0.76 -0.31 0.00 0.00 175.10 174.87 1nnv s LEU 63 N -4.13 3.15 -0.16 1.32 1.43 -1.26 -4.31 118.68 114.72 1nnv s LEU 63 Ca 0.67 2.24 -0.08 0.00 -1.03 0.00 0.00 54.13 55.93 1nnv s LEU 63 Cb -0.18 -4.57 0.06 0.00 0.03 0.00 0.00 46.19 41.52 1nnv s LEU 63 CO 0.31 -2.46 0.37 -0.63 0.23 0.00 0.00 176.35 174.17 1nnv s ILE 64 N -2.29 -0.11 -0.44 -0.59 -1.09 -1.25 -5.05 121.20 110.39 1nnv s ILE 64 Ca 0.70 0.12 -0.28 0.00 -2.23 0.00 0.00 60.65 58.96 1nnv s ILE 64 Cb -0.26 -0.56 0.00 0.00 -1.58 0.00 0.00 42.46 40.06 1nnv s ILE 64 CO 0.50 0.05 1.56 -1.81 -1.23 0.00 0.00 174.94 174.01 1nnv s ASP 65 N 1.54 6.07 0.87 3.58 1.01 -1.26 -4.67 116.67 123.81 1nnv s ASP 65 Ca -0.08 0.80 -0.14 0.00 0.71 0.00 0.00 52.55 53.84 1nnv s ASP 65 Cb -0.09 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.32 1nnv s ASP 65 CO -0.12 -1.65 0.53 -0.81 0.21 0.00 0.00 175.17 173.33 1nnv n PRO 66 N 8.39 -0.07 0.00 8.23 -0.04 -1.26 -3.09 135.00 147.17 1nnv n PRO 66 Ca 0.18 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1nnv n PRO 66 Cb 0.48 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1nnv n PRO 66 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nnv n GLU 67 N -1.60 0.00 -0.35 0.54 1.02 -1.26 -4.43 120.64 114.56 1nnv n GLU 67 Ca 0.08 0.00 0.37 0.00 -0.02 0.00 0.00 57.16 57.59 1nnv n GLU 67 Cb 0.52 0.00 0.73 0.00 -0.02 0.00 0.00 31.44 32.67 1nnv n GLU 67 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1nnv h GLU 68 N 0.00 0.00 -6.63 3.49 5.08 -1.96 -3.40 114.58 111.17 1nnv h GLU 68 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1nnv h GLU 68 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 1nnv h GLU 68 CO 0.00 0.00 -0.79 0.71 -1.00 0.00 0.00 179.01 177.93 1nnv s TYR 69 N -4.84 2.51 -0.11 4.33 2.02 -1.22 -1.58 117.35 118.45 1nnv s TYR 69 Ca -0.05 -0.28 -0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1nnv s TYR 69 Cb 0.22 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.48 1nnv s TYR 69 CO 0.76 0.44 -0.10 0.00 -1.57 0.00 0.00 175.55 175.08 1nnv s ALA 70 N -1.41 2.77 -0.11 3.71 0.00 0.46 -3.20 121.76 123.98 1nnv s ALA 70 Ca 0.20 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1nnv s ALA 70 Cb -0.09 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 1nnv s ALA 70 CO 0.11 0.34 -0.10 -1.83 0.00 0.00 0.00 175.76 174.28 1nnv s GLU 71 N -0.00 3.17 0.09 0.00 -1.05 -0.37 -1.01 118.70 119.53 1nnv s GLU 71 Ca -0.02 -0.63 0.10 0.00 -0.15 0.00 0.00 54.97 54.26 1nnv s GLU 71 Cb -0.14 -2.63 -0.03 0.00 -0.44 0.00 0.00 34.13 30.89 1nnv s GLU 71 CO 0.04 0.37 -0.25 0.08 0.95 0.00 0.00 175.26 176.44 1nnv s VAL 72 N -0.04 2.08 -0.07 1.83 1.01 0.25 -1.10 120.40 124.35 1nnv s VAL 72 Ca -0.02 -1.54 0.05 0.00 0.00 0.00 0.00 61.98 60.48 1nnv s VAL 72 Cb -0.14 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1nnv s VAL 72 CO 0.03 0.18 -0.24 0.26 0.00 0.00 0.00 175.10 175.33 1nnv s TRP 73 N -0.95 2.42 -0.22 5.22 0.52 -0.76 -1.04 118.94 124.12 1nnv s TRP 73 Ca 0.11 -0.81 0.00 0.00 0.02 0.00 0.00 56.10 55.43 1nnv s TRP 73 Cb -0.10 -1.60 0.06 0.00 -1.15 0.00 0.00 33.47 30.68 1nnv s TRP 73 CO 0.04 -0.28 -0.04 0.08 0.02 0.00 0.00 176.95 176.77 1nnv s VAL 74 N 0.02 1.38 0.00 4.03 1.01 -0.66 -2.33 120.40 123.86 1nnv s VAL 74 Ca -0.09 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1nnv s VAL 74 Cb -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1nnv s VAL 74 CO 0.05 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1nnv n GLY 75 N 4.73 3.43 2.25 4.51 0.00 -1.26 0.37 105.19 119.21 1nnv n GLY 75 Ca -0.12 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 1nnv n GLY 75 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nnv n LEU 76 N 0.00 0.17 -4.32 0.99 7.94 -1.01 -4.69 117.00 116.07 1nnv n LEU 76 Ca 0.00 -4.71 -0.34 0.00 -1.11 0.00 0.00 56.01 49.85 1nnv n LEU 76 Cb 0.00 0.70 0.10 0.00 0.53 0.00 0.00 43.42 44.75 1nnv n LEU 76 CO 0.00 2.17 -0.37 0.52 -1.11 0.00 0.00 177.39 178.60 1nnv n VAL 77 N 0.84 0.12 -1.06 1.96 0.31 -1.07 -4.91 118.33 114.51 1nnv n VAL 77 Ca 0.21 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1nnv n VAL 77 Cb 0.61 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1nnv n VAL 77 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1nnv n ASN 78 N -0.12 0.00 0.00 4.52 3.02 -1.26 -4.34 115.26 117.08 1nnv n ASN 78 Ca 0.05 -0.10 0.08 0.00 -0.03 0.00 0.00 54.58 54.58 1nnv n ASN 78 Cb 0.54 0.00 0.34 0.00 -0.61 0.00 0.00 39.78 40.05 1nnv n ASN 78 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1nnv n GLU 79 N -0.10 0.02 0.00 3.52 0.28 -1.26 -4.26 120.64 118.84 1nnv n GLU 79 Ca 0.00 0.22 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 1nnv n GLU 79 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 1nnv n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nnv n GLN 80 N -1.49 0.00 0.00 3.44 10.64 -1.26 -5.08 117.38 123.64 1nnv n GLN 80 Ca 0.04 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 1nnv n GLN 80 Cb 0.18 -0.05 0.00 0.00 -0.86 0.00 0.00 30.24 29.52 1nnv n GLN 80 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1nnv n ASP 81 N -0.25 0.00 -4.69 2.61 5.68 -1.26 -5.13 116.55 113.51 1nnv n ASP 81 Ca 0.00 0.00 -0.44 0.00 -0.50 0.00 0.00 54.79 53.85 1nnv n ASP 81 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 1nnv n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1nnv n GLU 82 N 0.00 2.44 -3.93 0.11 1.02 -1.26 -4.79 120.64 114.23 1nnv n GLU 82 Ca 0.00 0.88 -0.36 0.00 -0.02 0.00 0.00 57.16 57.66 1nnv n GLU 82 Cb 0.00 -2.69 -0.12 0.00 -0.02 0.00 0.00 31.44 28.61 1nnv n GLU 82 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1nnv s MET 83 N 1.14 3.64 0.00 3.49 -2.45 -1.26 -4.21 119.30 119.65 1nnv s MET 83 Ca 0.78 -0.50 0.06 0.00 -1.25 0.00 0.00 55.69 54.78 1nnv s MET 83 Cb -0.60 -3.18 0.02 0.00 1.25 0.00 0.00 34.83 32.31 1nnv s MET 83 CO 0.36 -0.07 0.56 -0.40 1.05 0.00 0.00 175.02 176.52 1nnv n ASP 84 N 4.52 1.14 -3.65 1.11 5.75 -1.26 -4.92 116.55 119.24 1nnv n ASP 84 Ca -0.17 -1.07 -0.27 0.00 -0.01 0.00 0.00 54.79 53.27 1nnv n ASP 84 Cb 0.52 0.32 -0.16 0.00 -1.03 0.00 0.00 41.12 40.76 1nnv n ASP 84 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1nnv s ASP 85 N -0.87 2.79 -0.09 -1.12 1.01 -1.26 -5.12 116.67 112.02 1nnv s ASP 85 Ca 0.06 -0.83 -0.10 0.00 0.71 0.00 0.00 52.55 52.39 1nnv s ASP 85 Cb 0.05 -0.42 -0.05 0.00 1.01 0.00 0.00 42.92 43.52 1nnv s ASP 85 CO 0.13 -0.35 0.24 0.54 0.21 0.00 0.00 175.17 175.95 1nnv s VAL 86 N 2.00 5.32 -0.18 -1.27 0.11 -1.26 -2.42 120.40 122.71 1nnv s VAL 86 Ca 0.02 0.45 -0.16 0.00 -2.93 0.00 0.00 61.98 59.36 1nnv s VAL 86 Cb -0.16 -3.53 -0.22 0.00 -1.53 0.00 0.00 36.38 30.94 1nnv s VAL 86 CO -0.13 0.58 0.27 -0.26 -3.33 0.00 0.00 175.10 172.23 1nnv h PHE 87 N 5.10 0.18 -4.36 1.54 0.04 -0.37 -3.46 116.94 115.61 1nnv h PHE 87 Ca -0.52 -0.13 -0.25 0.00 2.80 0.00 0.00 57.97 59.87 1nnv h PHE 87 Cb 1.22 -0.01 -0.12 0.00 2.20 0.00 0.00 35.95 39.24 1nnv h PHE 87 CO 0.72 1.60 -0.41 0.00 -0.60 0.00 0.00 178.31 179.62 1nnv s ALA 88 N -2.44 0.92 -0.15 2.45 0.00 -0.53 -2.83 121.76 119.18 1nnv s ALA 88 Ca -0.26 -1.56 -0.11 0.00 0.00 0.00 0.00 51.96 50.03 1nnv s ALA 88 Cb 0.06 1.30 0.04 0.00 0.00 0.00 0.00 23.12 24.52 1nnv s ALA 88 CO 0.66 -0.70 0.37 0.15 0.00 0.00 0.00 175.76 176.25 1nnv s LYS 89 N -3.80 0.40 0.01 0.00 1.02 -0.98 -1.65 119.74 114.75 1nnv s LYS 89 Ca 0.34 0.60 0.08 0.00 0.02 0.00 0.00 55.97 57.02 1nnv s LYS 89 Cb 0.03 0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1nnv s LYS 89 CO 0.16 -0.10 -0.25 -0.06 -0.92 0.00 0.00 175.35 174.18 1nnv s PHE 90 N 0.67 2.19 -0.07 3.18 0.40 -0.21 -0.99 117.98 123.15 1nnv s PHE 90 Ca -0.04 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 1nnv s PHE 90 Cb -0.05 -1.36 -0.01 0.00 0.51 0.00 0.00 43.02 42.11 1nnv s PHE 90 CO -0.04 0.04 -0.25 -0.51 0.70 0.00 0.00 175.22 175.16 1nnv s LEU 91 N -0.89 2.08 -0.01 -0.37 1.43 -0.97 -0.58 118.68 119.36 1nnv s LEU 91 Ca 0.10 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1nnv s LEU 91 Cb -0.10 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.74 1nnv s LEU 91 CO 0.00 0.21 0.06 -0.63 0.23 0.00 0.00 176.35 176.23 1nnv s ILE 92 N 0.01 0.04 0.16 -0.59 1.01 -0.18 -2.00 121.20 119.66 1nnv s ILE 92 Ca -0.09 -0.32 -0.31 0.00 0.00 0.00 0.00 60.65 59.94 1nnv s ILE 92 Cb -0.15 -0.20 -0.08 0.00 0.01 0.00 0.00 42.46 42.04 1nnv s ILE 92 CO 0.06 -0.17 1.36 -0.44 0.00 0.00 0.00 174.94 175.74 1nnv s SER 93 N -0.53 6.84 0.37 3.58 0.01 -1.01 -0.40 113.70 122.56 1nnv s SER 93 Ca -0.06 2.39 0.08 0.00 1.31 0.00 0.00 55.95 59.67 1nnv s SER 93 Cb -0.04 -2.60 0.73 0.00 0.21 0.00 0.00 66.02 64.32 1nnv s SER 93 CO 0.00 -0.61 1.91 0.45 0.41 0.00 0.00 173.24 175.40 1nnv h HIS 94 N 6.03 0.36 -3.76 2.43 3.86 -1.54 -3.44 115.15 119.09 1nnv h HIS 94 Ca -0.44 -0.04 -0.43 0.00 -1.16 0.00 0.00 60.37 58.31 1nnv h HIS 94 Cb 1.21 -0.10 0.18 0.00 1.06 0.00 0.00 27.41 29.76 1nnv h HIS 94 CO 0.64 0.42 0.29 -0.98 0.86 0.00 0.00 177.93 179.16 1nnv s ARG 95 N -4.84 -0.29 -0.00 2.45 3.03 -1.17 -4.32 118.95 113.79 1nnv s ARG 95 Ca -0.06 -0.27 0.08 0.00 2.03 0.00 0.00 55.73 57.50 1nnv s ARG 95 Cb 0.15 -1.72 -0.10 0.00 -1.03 0.00 0.00 34.95 32.25 1nnv s ARG 95 CO 0.74 -3.06 0.29 -0.85 -1.13 0.00 0.00 175.30 171.29 1nnv n GLU 96 N -4.25 3.24 0.00 3.89 0.00 -1.26 -4.74 120.64 117.51 1nnv n GLU 96 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.28 1nnv n GLU 96 Cb 0.59 -0.96 0.00 0.00 0.00 0.00 0.00 31.44 31.07 1nnv n GLU 96 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1nnv n GLU 97 N -1.35 1.19 -0.72 3.44 0.28 -1.26 -4.42 120.64 117.79 1nnv n GLU 97 Ca 0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.90 1nnv n GLU 97 Cb 0.15 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.91 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 0.00 3.96 -4.77 -1.84 9.92 -1.26 -4.91 116.55 117.65 1nnv n ASP 98 Ca 0.00 -2.20 -0.40 0.00 -0.53 0.00 0.00 54.79 51.65 1nnv n ASP 98 Cb 0.00 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 1nnv n ASP 98 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nnv s ARG 99 N 1.85 3.93 0.12 -1.24 1.04 -1.26 -5.03 118.95 118.35 1nnv s ARG 99 Ca 0.46 2.40 0.09 0.00 -1.04 0.00 0.00 55.73 57.65 1nnv s ARG 99 Cb 0.20 -2.81 -0.04 0.00 -2.04 0.00 0.00 34.95 30.27 1nnv s ARG 99 CO -0.01 -0.61 -0.21 -1.21 -0.04 0.00 0.00 175.30 173.22 1nnv s GLU 100 N -2.24 1.68 0.01 3.89 0.41 -1.26 -4.92 118.70 116.27 1nnv s GLU 100 Ca 0.57 -1.22 0.00 0.00 -0.41 0.00 0.00 54.97 53.91 1nnv s GLU 100 Cb -0.43 -2.05 -0.01 0.00 -1.78 0.00 0.00 34.13 29.86 1nnv s GLU 100 CO 0.57 0.47 -0.02 -0.59 -0.49 0.00 0.00 175.26 175.20 1nnv s PHE 101 N -1.10 0.18 -0.18 1.61 -0.71 -1.26 -2.39 117.98 114.13 1nnv s PHE 101 Ca 0.16 -0.19 -0.06 0.00 -1.04 0.00 0.00 56.93 55.81 1nnv s PHE 101 Cb -0.10 -0.12 0.09 0.00 -1.21 0.00 0.00 43.02 41.67 1nnv s PHE 101 CO 0.08 -0.06 0.36 -3.38 -1.34 0.00 0.00 175.22 170.88 1nnv s HIS 102 N -0.50 -0.66 -0.00 3.49 -3.43 -0.84 -4.98 115.29 108.37 1nnv s HIS 102 Ca -0.05 1.23 0.01 0.00 -0.80 0.00 0.00 55.06 55.46 1nnv s HIS 102 Cb -0.04 0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 31.22 1nnv s HIS 102 CO -0.00 -0.46 0.01 0.54 -2.00 0.00 0.00 174.74 172.83 1nnv s VAL 103 N 2.53 4.26 -0.09 -5.38 0.11 -1.26 -2.30 120.40 118.27 1nnv s VAL 103 Ca 0.01 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1nnv s VAL 103 Cb -0.12 -2.91 -0.03 0.00 -1.53 0.00 0.00 36.38 31.79 1nnv s VAL 103 CO -0.12 0.38 -0.09 0.27 -3.33 0.00 0.00 175.10 172.21 1nnv s ILE 104 N -1.10 3.45 0.11 7.04 -0.00 -0.16 -4.95 121.20 125.60 1nnv s ILE 104 Ca 0.20 -0.55 0.09 0.00 -0.00 0.00 0.00 60.65 60.39 1nnv s ILE 104 Cb -0.12 -2.43 -0.04 0.00 -0.00 0.00 0.00 42.46 39.88 1nnv s ILE 104 CO 0.11 0.56 -0.20 0.26 -0.00 0.00 0.00 174.94 175.67 1nnv s TRP 105 N -0.32 2.49 0.65 1.37 0.52 -1.26 -2.31 118.94 120.08 1nnv s TRP 105 Ca 0.04 -0.29 -0.16 0.00 0.02 0.00 0.00 56.10 55.71 1nnv s TRP 105 Cb -0.13 -1.34 -0.00 0.00 -1.15 0.00 0.00 33.47 30.85 1nnv s TRP 105 CO 0.02 0.36 1.14 0.21 0.02 0.00 0.00 176.95 178.71 1nnv s LYS 106 N -2.03 2.76 0.00 4.98 2.20 -1.13 -4.92 119.74 121.60 1nnv s LYS 106 Ca 0.17 1.56 0.23 0.00 -0.36 0.00 0.00 55.97 57.57 1nnv s LYS 106 Cb -0.10 -1.93 0.19 0.00 -1.51 0.00 0.00 37.83 34.47 1nnv s LYS 106 CO 0.09 -1.31 1.24 1.63 -0.36 0.00 0.00 175.35 176.64