#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 1.66 -3.46 2.03 5.66 -1.26 -4.89 114.28 114.03 1nnv n THR 2 Ca 0.00 -0.75 -0.36 0.00 -3.05 0.00 0.00 64.05 59.90 1nnv n THR 2 Cb 0.00 -0.63 -0.06 0.00 -1.55 0.00 0.00 70.33 68.10 1nnv n THR 2 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1nnv s THR 3 N -1.57 4.96 0.05 1.09 2.01 -1.26 -5.09 115.64 115.84 1nnv s THR 3 Ca 0.24 0.73 0.00 0.00 0.31 0.00 0.00 61.69 62.98 1nnv s THR 3 Cb 0.20 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1nnv s THR 3 CO 0.06 0.35 -0.04 -1.61 -0.69 0.00 0.00 174.62 172.68 1nnv s GLU 4 N -1.70 0.57 0.30 4.92 0.41 -1.26 -5.16 118.70 116.77 1nnv s GLU 4 Ca 0.33 -1.02 -0.01 0.00 -0.41 0.00 0.00 54.97 53.85 1nnv s GLU 4 Cb -0.15 0.03 -0.04 0.00 -1.78 0.00 0.00 34.13 32.19 1nnv s GLU 4 CO 0.18 -0.05 0.51 0.42 -0.49 0.00 0.00 175.26 175.82 1nnv s ILE 5 N -2.88 5.11 -0.34 -1.63 1.01 -1.26 -5.06 121.20 116.15 1nnv s ILE 5 Ca -0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 1nnv s ILE 5 Cb 0.00 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 1nnv s ILE 5 CO -0.05 -0.41 0.61 -0.54 0.00 0.00 0.00 174.94 174.55 1nnv s LYS 6 N -3.88 3.74 0.64 2.79 3.01 -1.26 -5.06 119.74 119.72 1nnv s LYS 6 Ca 0.40 0.10 -0.03 0.00 -1.01 0.00 0.00 55.97 55.43 1nnv s LYS 6 Cb -0.10 -3.78 0.13 0.00 -1.01 0.00 0.00 37.83 33.07 1nnv s LYS 6 CO 0.33 -0.66 0.87 0.36 0.51 0.00 0.00 175.35 176.75 1nnv n LYS 7 N 5.94 -0.22 -4.24 1.68 2.85 -1.26 -3.74 118.16 119.18 1nnv n LYS 7 Ca -0.02 -2.09 -0.19 0.00 -1.05 0.00 0.00 58.31 54.96 1nnv n LYS 7 Cb 0.49 -0.67 -0.12 0.00 -0.65 0.00 0.00 35.03 34.08 1nnv n LYS 7 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1nnv s LEU 8 N 0.00 2.24 0.11 -5.58 -0.00 -1.26 -4.93 118.68 109.26 1nnv s LEU 8 Ca 0.55 -0.57 -0.29 0.00 -0.00 0.00 0.00 54.13 53.82 1nnv s LEU 8 Cb -0.03 -0.57 -0.06 0.00 -0.00 0.00 0.00 46.19 45.54 1nnv s LEU 8 CO 0.37 -0.03 0.94 -1.81 -0.00 0.00 0.00 176.35 175.82 1nnv s ASP 9 N -1.54 7.47 0.31 1.48 1.11 -1.26 -4.92 116.67 119.31 1nnv s ASP 9 Ca -0.00 1.76 0.07 0.00 0.18 0.00 0.00 52.55 54.55 1nnv s ASP 9 Cb -0.09 -2.57 0.84 0.00 1.07 0.00 0.00 42.92 42.16 1nnv s ASP 9 CO 0.02 -0.05 1.68 1.55 1.18 0.00 0.00 175.17 179.55 1nnv h PRO 10 N 5.53 0.33 0.00 8.23 0.13 -2.00 0.88 132.00 145.11 1nnv h PRO 10 Ca -0.43 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 1nnv h PRO 10 Cb 1.21 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1nnv h PRO 10 CO 0.71 0.22 -0.31 -0.44 -0.23 0.00 0.00 178.00 177.96 1nnv h ASP 11 N 0.34 0.00 0.32 1.44 5.19 -2.00 -2.53 116.42 119.19 1nnv h ASP 11 Ca 0.62 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.76 1nnv h ASP 11 Cb 1.26 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.78 1nnv h ASP 11 CO -0.58 0.31 -1.10 0.74 -3.12 0.00 0.00 179.24 175.48 1nnv h THR 12 N 0.00 1.38 -0.33 0.35 2.02 0.33 -2.55 112.91 114.10 1nnv h THR 12 Ca -0.00 -2.57 -0.05 0.00 0.77 0.00 0.00 66.41 64.56 1nnv h THR 12 Cb 0.65 2.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 1nnv h THR 12 CO 0.04 0.77 0.03 0.00 0.37 0.00 0.00 175.52 176.73 1nnv h ALA 13 N 0.55 0.44 -0.48 6.16 0.00 -0.85 -1.75 119.26 123.33 1nnv h ALA 13 Ca -0.13 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1nnv h ALA 13 Cb 1.77 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1nnv h ALA 13 CO 0.20 0.16 0.05 0.82 0.00 0.00 0.00 179.25 180.48 1nnv h ILE 14 N 0.37 1.25 0.50 0.00 2.04 -1.54 0.10 117.51 120.24 1nnv h ILE 14 Ca 0.10 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 1nnv h ILE 14 Cb 0.40 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1nnv h ILE 14 CO 0.01 0.35 -0.27 -0.78 0.00 0.00 0.00 178.15 177.46 1nnv h ASP 15 N 0.68 -0.66 -0.56 1.72 3.58 -1.37 0.24 116.42 120.05 1nnv h ASP 15 Ca 0.14 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.57 1nnv h ASP 15 Cb 0.44 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1nnv h ASP 15 CO 0.02 -0.44 0.12 0.16 -2.88 0.00 0.00 179.24 176.22 1nnv h ILE 16 N -0.72 1.25 -0.94 2.25 -0.00 -1.32 -2.65 117.51 115.38 1nnv h ILE 16 Ca -0.06 -0.91 0.01 0.00 -0.00 0.00 0.00 64.86 63.90 1nnv h ILE 16 Cb 0.57 0.76 -0.05 0.00 -0.00 0.00 0.00 36.82 38.10 1nnv h ILE 16 CO 0.09 0.33 0.62 0.00 -0.00 0.00 0.00 178.15 179.19 1nnv h ALA 17 N 1.01 1.31 -0.31 0.16 0.00 -0.67 -2.22 119.26 118.55 1nnv h ALA 17 Ca 0.17 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1nnv h ALA 17 Cb 0.36 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1nnv h ALA 17 CO 0.00 0.63 0.12 -0.92 0.00 0.00 0.00 179.25 179.08 1nnv h TYR 18 N 1.28 0.22 -0.71 0.00 5.03 -0.20 -1.24 116.97 121.35 1nnv h TYR 18 Ca 0.35 0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.78 1nnv h TYR 18 Cb -0.14 -0.05 -0.05 0.00 1.55 0.00 0.00 36.73 38.04 1nnv h TYR 18 CO 0.00 0.10 0.47 -0.44 -1.32 0.00 0.00 178.16 176.97 1nnv h ASP 19 N 0.26 0.48 0.00 -2.11 5.19 -1.08 -1.95 116.42 117.22 1nnv h ASP 19 Ca 0.14 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1nnv h ASP 19 Cb 0.09 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1nnv h ASP 19 CO -0.13 0.28 0.00 -0.38 -3.12 0.00 0.00 179.24 175.89 1nnv n ILE 20 N -4.49 0.00 -0.55 0.35 5.41 -0.50 -2.47 119.36 117.11 1nnv n ILE 20 Ca 0.12 1.20 0.46 0.00 1.00 0.00 0.00 62.75 65.52 1nnv n ILE 20 Cb 0.39 -2.15 0.77 0.00 -0.71 0.00 0.00 39.64 37.94 1nnv n ILE 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1nnv h PHE 21 N 0.00 0.00 -0.34 1.39 3.57 -1.39 1.46 116.94 121.63 1nnv h PHE 21 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1nnv h PHE 21 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1nnv h PHE 21 CO 0.13 0.00 0.08 1.25 -2.23 0.00 0.00 178.31 177.54 1nnv h LEU 22 N 0.00 0.53 0.00 0.59 5.85 -1.20 -2.55 115.31 118.52 1nnv h LEU 22 Ca 0.79 -0.24 -0.26 0.00 0.84 0.00 0.00 57.88 59.01 1nnv h LEU 22 Cb 3.26 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 44.10 1nnv h LEU 22 CO -0.01 0.63 -2.11 -1.84 -0.34 0.00 0.00 178.44 174.77 1nnv n GLU 23 N -4.61 1.15 0.04 1.25 0.28 0.19 -4.62 120.64 114.32 1nnv n GLU 23 Ca -0.01 -0.03 -0.12 0.00 -0.16 0.00 0.00 57.16 56.84 1nnv n GLU 23 Cb 0.20 -1.43 -0.08 0.00 1.43 0.00 0.00 31.44 31.55 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 0.00 -0.18 -6.64 3.44 2.86 0.16 -3.45 114.93 111.12 1nnv h MET 24 Ca -0.39 0.01 -0.58 0.00 -2.06 0.00 0.00 59.70 56.68 1nnv h MET 24 Cb 1.86 0.04 0.10 0.00 0.06 0.00 0.00 31.60 33.66 1nnv h MET 24 CO 0.02 0.28 0.50 0.00 1.06 0.00 0.00 176.91 178.77 1nnv n ALA 25 N -2.52 0.97 0.00 6.32 0.00 -0.96 -4.56 120.51 119.76 1nnv n ALA 25 Ca -0.08 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1nnv n ALA 25 Cb 0.27 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 1.43 -1.43 0.70 0.00 0.00 -1.26 -4.91 105.19 99.72 1nnv n GLY 26 Ca 0.08 0.49 0.11 0.00 0.00 0.00 0.00 46.02 46.71 1nnv n GLY 26 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nnv n GLU 27 N 0.00 1.93 -0.05 1.61 0.28 -1.26 -4.15 120.64 119.00 1nnv n GLU 27 Ca 0.00 -1.39 -0.22 0.00 -0.16 0.00 0.00 57.16 55.40 1nnv n GLU 27 Cb 0.00 -1.44 -0.13 0.00 1.43 0.00 0.00 31.44 31.31 1nnv n GLU 27 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1nnv n ASN 28 N 0.62 2.04 -4.93 -1.84 6.94 -1.26 -4.95 115.26 111.89 1nnv n ASN 28 Ca 0.17 0.21 -0.27 0.00 -0.02 0.00 0.00 54.58 54.67 1nnv n ASN 28 Cb 0.41 -0.82 -0.03 0.00 -2.36 0.00 0.00 39.78 36.98 1nnv n ASN 28 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1nnv s LEU 29 N -7.16 4.24 0.57 -4.53 0.20 -1.26 -4.94 118.68 105.80 1nnv s LEU 29 Ca -0.27 0.37 -0.18 0.00 0.69 0.00 0.00 54.13 54.74 1nnv s LEU 29 Cb 0.07 -3.13 -0.08 0.00 -0.43 0.00 0.00 46.19 42.62 1nnv s LEU 29 CO 0.69 -0.03 0.59 -0.67 -0.29 0.00 0.00 176.35 176.64 1nnv n ASP 30 N -0.64 -0.77 0.11 3.68 2.03 -1.26 -4.79 116.55 114.91 1nnv n ASP 30 Ca -0.05 0.75 0.20 0.00 0.52 0.00 0.00 54.79 56.21 1nnv n ASP 30 Cb 0.54 -1.20 0.76 0.00 -0.72 0.00 0.00 41.12 40.49 1nnv n ASP 30 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1nnv h PRO 31 N 0.28 0.00 0.30 -0.67 0.13 -1.97 -2.79 132.00 127.28 1nnv h PRO 31 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1nnv h PRO 31 Cb 1.39 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 1nnv h PRO 31 CO 0.48 0.00 -0.50 0.00 -0.23 0.00 0.00 178.00 177.74 1nnv h ALA 32 N 1.55 -1.07 -0.16 -0.56 0.00 -1.99 -1.64 119.26 115.39 1nnv h ALA 32 Ca 0.18 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1nnv h ALA 32 Cb 0.98 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1nnv h ALA 32 CO -0.00 -1.14 0.12 0.22 0.00 0.00 0.00 179.25 178.45 1nnv h ASP 33 N -0.85 0.00 -0.19 0.00 3.58 -1.84 -1.10 116.42 116.02 1nnv h ASP 33 Ca -0.03 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1nnv h ASP 33 Cb 0.79 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 1nnv h ASP 33 CO -0.17 0.00 0.11 0.40 -2.88 0.00 0.00 179.24 176.70 1nnv h ILE 34 N 0.00 1.09 -0.13 2.25 2.04 -1.36 0.83 117.51 122.24 1nnv h ILE 34 Ca 0.08 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1nnv h ILE 34 Cb 0.33 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1nnv h ILE 34 CO -0.00 0.09 -0.08 0.25 0.00 0.00 0.00 178.15 178.41 1nnv h LEU 35 N 0.21 0.29 0.91 1.44 5.85 -0.74 -3.03 115.31 120.24 1nnv h LEU 35 Ca 0.07 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 1nnv h LEU 35 Cb 0.04 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.00 1nnv h LEU 35 CO -0.01 0.66 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.24 1nnv h LEU 36 N -0.08 -1.04 -1.94 2.25 4.07 -1.11 -2.37 115.31 115.10 1nnv h LEU 36 Ca 0.03 0.03 0.51 0.00 0.08 0.00 0.00 57.88 58.53 1nnv h LEU 36 Cb 0.56 0.27 -0.08 0.00 1.08 0.00 0.00 40.66 42.49 1nnv h LEU 36 CO 0.02 -0.73 1.24 0.15 -1.08 0.00 0.00 178.44 178.04 1nnv h PHE 37 N -1.24 0.05 0.01 1.13 3.57 0.61 0.85 116.94 121.92 1nnv h PHE 37 Ca -0.12 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 1nnv h PHE 37 Cb 0.94 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1nnv h PHE 37 CO -0.01 -0.02 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.14 1nnv h ASN 38 N 0.01 -0.01 0.00 0.41 4.21 -1.32 -3.39 115.58 115.50 1nnv h ASN 38 Ca 0.85 -0.79 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1nnv h ASN 38 Cb 3.33 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 40.53 1nnv h ASN 38 CO -0.05 0.81 -0.11 -0.07 -1.29 0.00 0.00 177.43 176.71 1nnv h LEU 39 N -0.86 0.00 -8.04 1.61 -0.00 0.07 -3.43 115.31 104.66 1nnv h LEU 39 Ca -0.00 0.00 -0.69 0.00 -0.00 0.00 0.00 57.88 57.19 1nnv h LEU 39 Cb 0.80 0.00 -0.18 0.00 -0.00 0.00 0.00 40.66 41.28 1nnv h LEU 39 CO 0.00 0.40 0.66 0.00 -0.00 0.00 0.00 178.44 179.50 1nnv s GLN 40 N -1.53 3.45 0.00 1.13 -2.07 0.26 -4.25 119.66 116.65 1nnv s GLN 40 Ca -0.03 -1.60 0.00 0.00 -1.82 0.00 0.00 55.36 51.91 1nnv s GLN 40 Cb 0.00 -4.69 0.00 0.00 -1.09 0.00 0.00 33.01 27.23 1nnv s GLN 40 CO 0.05 -1.73 0.00 0.34 -1.32 0.00 0.00 175.29 172.63 1nnv n PHE 41 N 6.56 0.00 -0.00 9.60 7.35 -1.26 -4.08 117.46 135.63 1nnv n PHE 41 Ca 0.15 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.72 1nnv n PHE 41 Cb 0.48 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.23 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 -0.43 0.00 -4.13 4.81 -1.87 1.24 114.58 114.21 1nnv h GLU 42 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1nnv h GLU 42 Cb 0.00 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1nnv h GLU 42 CO 0.00 -0.28 -1.41 -1.91 -0.73 0.00 0.00 179.01 174.67 1nnv n GLU 43 N -4.71 0.73 0.00 1.92 2.13 -1.26 -4.33 120.64 115.12 1nnv n GLU 43 Ca -0.05 -0.09 0.09 0.00 0.66 0.00 0.00 57.16 57.77 1nnv n GLU 43 Cb 0.28 -1.41 -0.02 0.00 0.27 0.00 0.00 31.44 30.56 1nnv n GLU 43 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1nnv n ARG 44 N -1.83 1.38 -3.31 5.31 5.12 -1.21 -4.71 116.66 117.42 1nnv n ARG 44 Ca -0.00 -0.80 -0.38 0.00 -1.93 0.00 0.00 57.85 54.73 1nnv n ARG 44 Cb 0.40 -1.38 -0.06 0.00 -1.16 0.00 0.00 32.46 30.26 1nnv n ARG 44 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1nnv s GLY 45 N -2.26 2.47 -0.07 -0.13 0.00 0.43 -2.03 107.32 105.72 1nnv s GLY 45 Ca 0.15 -0.13 -0.14 0.00 0.00 0.00 0.00 44.72 44.60 1nnv s GLY 45 CO 0.52 0.69 0.35 -0.32 0.00 0.00 0.00 173.10 174.34 1nnv s GLY 46 N 0.18 -0.22 -0.35 0.20 0.00 -1.26 -4.85 107.32 101.01 1nnv s GLY 46 Ca 0.27 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1nnv s GLY 46 CO 0.13 0.49 0.14 0.14 0.00 0.00 0.00 173.10 174.00 1nnv s VAL 47 N -0.63 1.07 0.62 1.40 1.01 -1.26 -2.84 120.40 119.77 1nnv s VAL 47 Ca -0.07 -1.80 -0.08 0.00 0.00 0.00 0.00 61.98 60.03 1nnv s VAL 47 Cb -0.04 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1nnv s VAL 47 CO 0.03 -0.75 0.96 -1.83 0.00 0.00 0.00 175.10 173.51 1nnv s GLU 48 N 1.19 2.93 -0.08 2.72 -1.05 -0.83 -4.82 118.70 118.76 1nnv s GLU 48 Ca 0.12 0.15 0.02 0.00 -0.15 0.00 0.00 54.97 55.12 1nnv s GLU 48 Cb -0.20 -2.20 -0.02 0.00 -0.44 0.00 0.00 34.13 31.28 1nnv s GLU 48 CO -0.16 -0.78 -0.14 0.12 0.95 0.00 0.00 175.26 175.25 1nnv s PHE 49 N -3.10 2.74 0.18 4.83 5.36 -1.26 -1.90 117.98 124.83 1nnv s PHE 49 Ca 0.55 -0.37 0.02 0.00 -0.96 0.00 0.00 56.93 56.17 1nnv s PHE 49 Cb -0.11 -1.71 -0.01 0.00 -0.34 0.00 0.00 43.02 40.85 1nnv s PHE 49 CO 0.47 0.02 0.08 1.33 -1.46 0.00 0.00 175.22 175.66 1nnv n VAL 50 N 2.81 0.00 -4.51 3.12 0.24 0.17 -4.99 118.33 115.17 1nnv n VAL 50 Ca -0.18 -1.08 -0.26 0.00 -2.04 0.00 0.00 64.34 60.78 1nnv n VAL 50 Cb 0.52 0.41 -0.10 0.00 -1.47 0.00 0.00 33.84 33.21 1nnv n VAL 50 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1nnv s GLU 51 N -2.69 1.90 0.81 7.34 2.02 -1.26 -2.80 118.70 124.02 1nnv s GLU 51 Ca 0.11 -1.94 -0.14 0.00 0.02 0.00 0.00 54.97 53.02 1nnv s GLU 51 Cb 0.01 -1.74 0.02 0.00 0.10 0.00 0.00 34.13 32.52 1nnv s GLU 51 CO 0.08 0.09 0.75 2.41 0.02 0.00 0.00 175.26 178.61 1nnv n THR 52 N -0.87 1.48 -3.48 3.63 -1.04 -1.26 -4.71 114.28 108.04 1nnv n THR 52 Ca -0.05 -0.28 -0.18 0.00 -2.04 0.00 0.00 64.05 61.51 1nnv n THR 52 Cb 0.64 -0.88 0.02 0.00 -1.82 0.00 0.00 70.33 68.29 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 -3.00 0.75 -1.26 2.41 0.00 -1.26 -4.80 120.51 113.37 1nnv n ALA 53 Ca 0.11 -1.63 -0.02 0.00 0.00 0.00 0.00 53.44 51.90 1nnv n ALA 53 Cb 0.51 0.58 0.22 0.00 0.00 0.00 0.00 19.45 20.77 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 -2.13 3.23 -2.27 0.00 9.92 -1.26 -4.51 116.55 119.53 1nnv n ASP 54 Ca 0.04 -3.48 -0.02 0.00 -0.53 0.00 0.00 54.79 50.80 1nnv n ASP 54 Cb 0.46 -0.64 0.09 0.00 -0.64 0.00 0.00 41.12 40.39 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 -0.86 -1.03 0.21 -2.24 5.75 -1.26 -4.98 116.55 112.14 1nnv n ASP 55 Ca 0.33 -1.85 0.04 0.00 -0.01 0.00 0.00 54.79 53.30 1nnv n ASP 55 Cb 1.09 0.48 0.45 0.00 -1.03 0.00 0.00 41.12 42.11 1nnv n ASP 55 CO 0.00 0.00 0.00 -0.50 -0.11 0.00 0.00 177.20 176.59 1nnv h TRP 56 N 0.68 0.00 0.00 2.11 -0.00 -1.89 -2.27 115.95 114.59 1nnv h TRP 56 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.57 1nnv h TRP 56 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.37 1nnv h TRP 56 CO -0.12 0.26 0.02 0.93 -0.00 0.00 0.00 178.44 179.53 1nnv h GLU 57 N 0.00 0.00 0.04 0.49 5.08 -1.70 -0.10 114.58 118.39 1nnv h GLU 57 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1nnv h GLU 57 Cb 0.46 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1nnv h GLU 57 CO 0.03 0.00 -1.98 -1.91 -1.00 0.00 0.00 179.01 174.16 1nnv n GLU 58 N -2.53 0.68 -0.03 2.33 2.13 -0.85 -2.48 120.64 119.88 1nnv n GLU 58 Ca -0.02 0.23 -0.04 0.00 0.66 0.00 0.00 57.16 57.99 1nnv n GLU 58 Cb 0.07 -1.70 -0.03 0.00 0.27 0.00 0.00 31.44 30.04 1nnv n GLU 58 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1nnv h GLU 59 N 0.02 -0.05 0.05 5.31 5.08 -1.29 -3.40 114.58 120.29 1nnv h GLU 59 Ca -0.40 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.61 1nnv h GLU 59 Cb 2.05 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 31.26 1nnv h GLU 59 CO 0.06 0.19 -2.10 0.44 -1.00 0.00 0.00 179.01 176.59 1nnv n ILE 60 N -4.78 1.62 0.00 3.13 -5.35 -0.16 -5.05 119.36 108.76 1nnv n ILE 60 Ca -0.03 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 1nnv n ILE 60 Cb 0.13 -1.32 0.00 0.00 -1.74 0.00 0.00 39.64 36.71 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 1.92 2.24 3.29 3.28 0.00 -1.04 -5.02 105.19 109.87 1nnv n GLY 61 Ca -0.32 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 0.00 -3.27 1.61 0.24 -1.26 -4.12 118.33 111.53 1nnv n VAL 62 Ca 0.00 -0.26 -0.39 0.00 -2.04 0.00 0.00 64.34 61.66 1nnv n VAL 62 Cb 0.00 -0.84 -0.06 0.00 -1.47 0.00 0.00 33.84 31.47 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 -5.22 4.44 -0.18 1.34 1.02 -1.26 -3.20 118.68 115.62 1nnv s LEU 63 Ca 0.61 1.13 0.01 0.00 0.02 0.00 0.00 54.13 55.90 1nnv s LEU 63 Cb -0.16 -2.85 0.04 0.00 0.02 0.00 0.00 46.19 43.23 1nnv s LEU 63 CO 0.59 0.17 -0.11 -0.63 0.02 0.00 0.00 176.35 176.39 1nnv s ILE 64 N -0.46 1.56 -0.24 -0.59 -1.09 -1.26 -5.02 121.20 114.11 1nnv s ILE 64 Ca 0.29 -0.85 -0.29 0.00 -2.23 0.00 0.00 60.65 57.58 1nnv s ILE 64 Cb -0.18 -1.59 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 1nnv s ILE 64 CO 0.16 0.26 1.89 -0.62 -1.23 0.00 0.00 174.94 175.41 1nnv s ASP 65 N 1.45 5.93 1.00 3.58 -1.08 -1.26 -4.93 116.67 121.37 1nnv s ASP 65 Ca 0.01 1.68 -0.11 0.00 -0.52 0.00 0.00 52.55 53.61 1nnv s ASP 65 Cb -0.15 -2.52 0.20 0.00 -1.46 0.00 0.00 42.92 38.98 1nnv s ASP 65 CO -0.09 -1.61 1.10 -2.16 0.52 0.00 0.00 175.17 172.92 1nnv s PRO 66 N 5.51 0.32 -0.98 4.34 0.04 -1.26 -2.94 135.00 140.04 1nnv s PRO 66 Ca 0.85 1.24 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1nnv s PRO 66 Cb -0.28 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1nnv s PRO 66 CO 0.34 -3.01 0.00 -0.85 0.04 0.00 0.00 177.00 173.52 1nnv n GLU 67 N -4.46 -1.24 0.00 4.56 0.28 -1.26 -4.60 120.64 113.91 1nnv n GLU 67 Ca 0.08 0.54 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 1nnv n GLU 67 Cb 0.53 -4.73 0.00 0.00 1.43 0.00 0.00 31.44 28.67 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 -1.65 3.34 -4.43 3.44 1.02 -1.15 -5.08 120.64 116.12 1nnv n GLU 68 Ca -0.09 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.83 1nnv n GLU 68 Cb 0.31 -0.50 -0.10 0.00 -0.02 0.00 0.00 31.44 31.13 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 -0.79 2.03 -0.22 -0.32 1.51 -1.24 -3.34 117.35 114.98 1nnv s TYR 69 Ca 0.00 -0.57 -0.05 0.00 -1.01 0.00 0.00 57.07 55.44 1nnv s TYR 69 Cb 0.00 -1.05 -0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1nnv s TYR 69 CO 0.00 0.43 0.00 0.00 -1.11 0.00 0.00 175.55 174.87 1nnv s ALA 70 N -2.84 2.99 -0.22 3.71 0.00 0.35 -4.16 121.76 121.58 1nnv s ALA 70 Ca 0.28 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 1nnv s ALA 70 Cb 0.01 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1nnv s ALA 70 CO 0.12 -0.31 0.05 -2.00 0.00 0.00 0.00 175.76 173.62 1nnv s GLU 71 N 1.29 3.73 0.08 0.00 2.12 -1.12 -1.32 118.70 123.48 1nnv s GLU 71 Ca 0.04 -0.45 0.08 0.00 0.36 0.00 0.00 54.97 54.99 1nnv s GLU 71 Cb -0.15 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1nnv s GLU 71 CO 0.01 -0.03 -0.18 0.08 -0.54 0.00 0.00 175.26 174.60 1nnv s VAL 72 N 1.17 2.86 -0.04 3.70 1.01 0.16 0.44 120.40 129.70 1nnv s VAL 72 Ca 0.04 -1.34 0.05 0.00 0.00 0.00 0.00 61.98 60.73 1nnv s VAL 72 Cb -0.14 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1nnv s VAL 72 CO 0.03 0.21 -0.19 0.26 0.00 0.00 0.00 175.10 175.40 1nnv s TRP 73 N -1.05 1.89 -0.21 5.22 0.52 -0.80 0.64 118.94 125.15 1nnv s TRP 73 Ca 0.17 -0.52 -0.00 0.00 0.02 0.00 0.00 56.10 55.76 1nnv s TRP 73 Cb -0.11 -1.26 0.06 0.00 -1.15 0.00 0.00 33.47 31.02 1nnv s TRP 73 CO 0.08 -0.16 -0.03 0.08 0.02 0.00 0.00 176.95 176.94 1nnv s VAL 74 N -0.07 1.21 0.00 4.03 1.01 -0.78 -1.97 120.40 123.82 1nnv s VAL 74 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1nnv s VAL 74 Cb -0.11 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1nnv s VAL 74 CO 0.02 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1nnv n GLY 75 N 4.80 2.79 2.51 4.51 0.00 -1.13 -0.18 105.19 118.48 1nnv n GLY 75 Ca -0.11 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.48 -4.71 0.99 7.94 -1.00 -4.28 117.00 115.46 1nnv n LEU 76 Ca 0.00 -4.18 -0.32 0.00 -1.11 0.00 0.00 56.01 50.40 1nnv n LEU 76 Cb 0.00 0.66 0.13 0.00 0.53 0.00 0.00 43.42 44.73 1nnv n LEU 76 CO 0.00 2.06 0.71 0.54 -1.11 0.00 0.00 177.39 179.59 1nnv s VAL 77 N -1.31 2.49 0.00 1.96 0.11 -0.86 -4.84 120.40 117.95 1nnv s VAL 77 Ca 0.30 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 1nnv s VAL 77 Cb 0.35 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.75 1nnv s VAL 77 CO -0.05 -0.19 0.00 0.59 -3.33 0.00 0.00 175.10 172.12 1nnv n ASN 78 N -3.65 0.00 -1.54 3.54 3.02 -1.26 -4.21 115.26 111.15 1nnv n ASN 78 Ca 0.11 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.65 1nnv n ASN 78 Cb 0.52 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.92 1nnv n ASN 78 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1nnv n GLU 79 N 0.00 3.10 -0.00 3.52 1.02 -1.26 -3.84 120.64 123.17 1nnv n GLU 79 Ca 0.00 -2.07 0.03 0.00 -0.02 0.00 0.00 57.16 55.10 1nnv n GLU 79 Cb 0.00 -1.95 -0.04 0.00 -0.02 0.00 0.00 31.44 29.43 1nnv n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nnv n GLN 80 N 0.13 4.14 -2.06 3.49 10.64 -1.26 -5.01 117.38 127.44 1nnv n GLN 80 Ca 0.25 -0.01 -0.09 0.00 -1.83 0.00 0.00 57.00 55.32 1nnv n GLN 80 Cb 1.00 -0.85 -0.01 0.00 -0.86 0.00 0.00 30.24 29.52 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 -1.25 -3.25 -4.25 2.61 9.92 -1.25 -5.02 116.55 114.07 1nnv n ASP 81 Ca 0.01 0.02 -0.34 0.00 -0.53 0.00 0.00 54.79 53.94 1nnv n ASP 81 Cb 0.11 -2.42 -0.15 0.00 -0.64 0.00 0.00 41.12 38.02 1nnv n ASP 81 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1nnv s GLU 82 N -4.25 3.20 -0.73 -1.24 2.02 -1.26 -5.04 118.70 111.40 1nnv s GLU 82 Ca 0.00 -0.73 -0.24 0.00 0.02 0.00 0.00 54.97 54.03 1nnv s GLU 82 Cb 0.00 -2.89 0.06 0.00 0.10 0.00 0.00 34.13 31.40 1nnv s GLU 82 CO 0.00 -0.23 1.12 1.41 0.02 0.00 0.00 175.26 177.58 1nnv s MET 83 N 1.41 3.21 0.20 1.61 1.75 -1.26 -4.31 119.30 121.90 1nnv s MET 83 Ca 0.05 -0.72 0.18 0.00 -1.25 0.00 0.00 55.69 53.94 1nnv s MET 83 Cb -0.14 -4.34 0.00 0.00 2.84 0.00 0.00 34.83 33.19 1nnv s MET 83 CO -0.06 -1.95 1.14 0.38 -0.65 0.00 0.00 175.02 173.88 1nnv h ASP 84 N 9.69 0.00 -3.33 1.11 3.04 -1.97 -3.45 116.42 121.50 1nnv h ASP 84 Ca -0.22 0.00 -0.29 0.00 -3.24 0.00 0.00 57.03 53.28 1nnv h ASP 84 Cb 1.06 0.00 -0.34 0.00 -1.04 0.00 0.00 39.33 39.00 1nnv h ASP 84 CO 1.23 0.39 -0.66 -1.81 -2.04 0.00 0.00 179.24 176.35 1nnv s ASP 85 N -5.96 0.36 -0.12 4.15 1.11 -1.26 -5.10 116.67 109.84 1nnv s ASP 85 Ca 0.01 0.22 -0.03 0.00 0.18 0.00 0.00 52.55 52.93 1nnv s ASP 85 Cb 0.08 0.11 -0.03 0.00 1.07 0.00 0.00 42.92 44.15 1nnv s ASP 85 CO 0.77 -0.19 -0.00 0.54 1.18 0.00 0.00 175.17 177.47 1nnv s VAL 86 N 1.63 4.26 -0.10 -1.27 0.11 -1.26 -2.38 120.40 121.39 1nnv s VAL 86 Ca -0.03 -0.25 -0.04 0.00 -2.93 0.00 0.00 61.98 58.73 1nnv s VAL 86 Cb -0.12 -2.83 -0.26 0.00 -1.53 0.00 0.00 36.38 31.64 1nnv s VAL 86 CO -0.05 0.55 0.43 0.49 -3.33 0.00 0.00 175.10 173.19 1nnv n PHE 87 N 2.75 1.24 -3.98 1.54 3.72 0.74 -4.86 117.46 118.61 1nnv n PHE 87 Ca -0.18 0.29 -0.11 0.00 -0.05 0.00 0.00 57.45 57.40 1nnv n PHE 87 Cb 0.53 -1.17 -0.03 0.00 -0.94 0.00 0.00 39.48 37.87 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 -2.57 0.02 -0.13 4.37 0.00 -0.74 -3.00 121.76 119.71 1nnv s ALA 88 Ca -0.19 -1.09 -0.13 0.00 0.00 0.00 0.00 51.96 50.55 1nnv s ALA 88 Cb 0.07 0.99 0.03 0.00 0.00 0.00 0.00 23.12 24.21 1nnv s ALA 88 CO 0.78 -0.87 0.36 0.15 0.00 0.00 0.00 175.76 176.18 1nnv s LYS 89 N -3.15 0.44 0.08 0.00 1.02 -0.63 -1.87 119.74 115.63 1nnv s LYS 89 Ca 0.23 0.47 0.09 0.00 0.02 0.00 0.00 55.97 56.78 1nnv s LYS 89 Cb -0.02 0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.47 1nnv s LYS 89 CO 0.14 -0.06 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.23 1nnv s PHE 90 N 0.10 1.96 -0.08 3.18 0.40 0.21 0.30 117.98 124.06 1nnv s PHE 90 Ca -0.01 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1nnv s PHE 90 Cb -0.03 -1.12 0.02 0.00 0.51 0.00 0.00 43.02 42.41 1nnv s PHE 90 CO 0.01 0.18 -0.07 -0.51 0.70 0.00 0.00 175.22 175.53 1nnv s LEU 91 N -1.61 1.24 0.03 -0.37 1.43 -0.97 0.39 118.68 118.82 1nnv s LEU 91 Ca 0.09 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1nnv s LEU 91 Cb -0.10 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 1nnv s LEU 91 CO 0.03 -0.08 -0.05 0.27 0.23 0.00 0.00 176.35 176.76 1nnv s ILE 92 N 1.30 0.27 -0.02 -0.59 -4.36 -0.43 -0.92 121.20 116.44 1nnv s ILE 92 Ca -0.04 -0.92 -0.30 0.00 -0.26 0.00 0.00 60.65 59.13 1nnv s ILE 92 Cb -0.14 -0.38 -0.05 0.00 1.25 0.00 0.00 42.46 43.14 1nnv s ILE 92 CO -0.03 -0.42 1.49 -0.44 0.24 0.00 0.00 174.94 175.78 1nnv s SER 93 N -1.42 6.78 0.20 4.36 0.01 -1.03 -0.50 113.70 122.10 1nnv s SER 93 Ca -0.13 2.15 -0.12 0.00 1.31 0.00 0.00 55.95 59.16 1nnv s SER 93 Cb -0.09 -2.55 0.25 0.00 0.21 0.00 0.00 66.02 63.83 1nnv s SER 93 CO -0.00 -0.80 1.66 0.45 0.41 0.00 0.00 173.24 174.96 1nnv h HIS 94 N 8.38 -0.09 -2.26 2.43 3.86 -1.85 -3.44 115.15 122.18 1nnv h HIS 94 Ca -0.38 0.04 -0.54 0.00 -1.16 0.00 0.00 60.37 58.34 1nnv h HIS 94 Cb 1.17 0.13 0.24 0.00 1.06 0.00 0.00 27.41 30.01 1nnv h HIS 94 CO 0.79 -0.17 -1.62 0.54 0.86 0.00 0.00 177.93 178.34 1nnv n ARG 95 N -5.29 -0.09 -0.10 2.45 1.74 -1.25 -4.69 116.66 109.44 1nnv n ARG 95 Ca 0.07 -0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 57.00 1nnv n ARG 95 Cb 0.32 -1.20 -0.14 0.00 -1.02 0.00 0.00 32.46 30.42 1nnv n ARG 95 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1nnv n GLU 96 N 1.52 0.67 -3.25 5.56 -0.00 -1.26 -4.84 120.64 119.04 1nnv n GLU 96 Ca -0.00 0.08 -0.39 0.00 -0.00 0.00 0.00 57.16 56.85 1nnv n GLU 96 Cb 0.57 -1.54 -0.06 0.00 -0.00 0.00 0.00 31.44 30.40 1nnv n GLU 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1nnv s GLU 97 N -2.51 4.26 -0.04 3.44 -1.05 -1.26 -4.70 118.70 116.84 1nnv s GLU 97 Ca -0.21 0.47 -0.03 0.00 -0.15 0.00 0.00 54.97 55.04 1nnv s GLU 97 Cb 0.07 -3.51 0.01 0.00 -0.44 0.00 0.00 34.13 30.27 1nnv s GLU 97 CO 0.73 -0.03 0.07 -3.47 0.95 0.00 0.00 175.26 173.51 1nnv n ASP 98 N 4.32 -6.05 -4.01 0.83 2.03 -1.26 -5.05 116.55 107.37 1nnv n ASP 98 Ca -0.05 1.62 -0.12 0.00 0.52 0.00 0.00 54.79 56.76 1nnv n ASP 98 Cb 0.51 -4.72 -0.12 0.00 -0.72 0.00 0.00 41.12 36.07 1nnv n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nnv s ARG 99 N -0.53 0.40 -0.09 -0.67 1.04 -1.26 -4.89 118.95 112.95 1nnv s ARG 99 Ca -0.08 -0.60 0.03 0.00 -1.04 0.00 0.00 55.73 54.03 1nnv s ARG 99 Cb 0.01 -0.13 -0.01 0.00 -2.04 0.00 0.00 34.95 32.77 1nnv s ARG 99 CO 0.22 0.01 -0.18 -1.21 -0.04 0.00 0.00 175.30 174.10 1nnv s GLU 100 N -1.31 2.94 -0.03 3.89 0.41 -1.26 -4.94 118.70 118.41 1nnv s GLU 100 Ca -0.11 -0.78 0.07 0.00 -0.41 0.00 0.00 54.97 53.75 1nnv s GLU 100 Cb -0.09 -2.41 -0.02 0.00 -1.78 0.00 0.00 34.13 29.84 1nnv s GLU 100 CO -0.00 0.33 -0.25 -0.59 -0.49 0.00 0.00 175.26 174.26 1nnv s PHE 101 N 0.00 2.27 -0.26 1.61 -0.71 -1.26 -2.47 117.98 117.16 1nnv s PHE 101 Ca -0.06 -0.48 -0.03 0.00 -1.04 0.00 0.00 56.93 55.33 1nnv s PHE 101 Cb -0.15 -1.47 0.11 0.00 -1.21 0.00 0.00 43.02 40.30 1nnv s PHE 101 CO 0.05 -0.07 0.21 -3.38 -1.34 0.00 0.00 175.22 170.68 1nnv s HIS 102 N -0.51 -0.11 -0.07 3.49 -3.43 -0.10 -4.97 115.29 109.60 1nnv s HIS 102 Ca 0.07 -0.33 -0.07 0.00 -0.80 0.00 0.00 55.06 53.93 1nnv s HIS 102 Cb -0.10 -0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 30.40 1nnv s HIS 102 CO -0.00 -0.79 0.20 0.54 -2.00 0.00 0.00 174.74 172.69 1nnv s VAL 103 N 2.25 5.41 -0.11 -5.38 0.11 -1.26 -2.28 120.40 119.13 1nnv s VAL 103 Ca 0.08 0.22 -0.02 0.00 -2.93 0.00 0.00 61.98 59.33 1nnv s VAL 103 Cb -0.15 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.18 1nnv s VAL 103 CO -0.28 0.52 -0.02 0.27 -3.33 0.00 0.00 175.10 172.26 1nnv s ILE 104 N -1.13 4.07 -0.03 7.04 -4.36 0.15 -4.92 121.20 122.01 1nnv s ILE 104 Ca 0.20 -0.32 0.05 0.00 -0.26 0.00 0.00 60.65 60.32 1nnv s ILE 104 Cb -0.13 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 40.82 1nnv s ILE 104 CO 0.09 0.55 -0.17 0.26 0.24 0.00 0.00 174.94 175.92 1nnv s TRP 105 N -0.32 2.61 0.73 1.37 0.52 -1.26 -1.61 118.94 120.99 1nnv s TRP 105 Ca 0.06 -0.22 -0.11 0.00 0.02 0.00 0.00 56.10 55.84 1nnv s TRP 105 Cb -0.12 -1.58 0.03 0.00 -1.15 0.00 0.00 33.47 30.65 1nnv s TRP 105 CO 0.02 0.15 1.08 0.15 0.02 0.00 0.00 176.95 178.38 1nnv s LYS 106 N -0.81 2.53 0.00 4.98 1.02 -1.16 -5.04 119.74 121.26 1nnv s LYS 106 Ca 0.12 1.14 0.12 0.00 0.02 0.00 0.00 55.97 57.37 1nnv s LYS 106 Cb -0.10 -1.93 0.09 0.00 -0.52 0.00 0.00 37.83 35.37 1nnv s LYS 106 CO 0.01 -1.43 0.88 1.63 -0.92 0.00 0.00 175.35 175.51