#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 4.40 -4.56 1.12 5.66 -1.26 -4.94 114.28 114.70 1nnv n THR 2 Ca 0.00 -2.87 0.02 0.00 -3.05 0.00 0.00 64.05 58.15 1nnv n THR 2 Cb 0.00 -2.44 -0.01 0.00 -1.55 0.00 0.00 70.33 66.33 1nnv n THR 2 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1nnv n THR 3 N 3.06 0.00 -3.47 1.09 -2.24 -1.26 -4.78 114.28 106.67 1nnv n THR 3 Ca 0.72 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 62.26 1nnv n THR 3 Cb 0.29 -0.05 -0.12 0.00 -2.10 0.00 0.00 70.33 68.34 1nnv n THR 3 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1nnv s GLU 4 N -0.25 0.32 0.26 -0.78 -1.05 -1.26 -5.14 118.70 110.81 1nnv s GLU 4 Ca 0.00 -0.58 0.06 0.00 -0.15 0.00 0.00 54.97 54.30 1nnv s GLU 4 Cb 0.00 -1.01 -0.06 0.00 -0.44 0.00 0.00 34.13 32.63 1nnv s GLU 4 CO 0.00 -1.07 -0.04 0.42 0.95 0.00 0.00 175.26 175.52 1nnv s ILE 5 N 1.96 1.45 0.76 1.83 1.01 -1.26 -5.16 121.20 121.79 1nnv s ILE 5 Ca 0.11 -2.09 -0.04 0.00 0.00 0.00 0.00 60.65 58.63 1nnv s ILE 5 Cb -0.16 -2.42 0.16 0.00 0.01 0.00 0.00 42.46 40.05 1nnv s ILE 5 CO -0.27 -0.31 1.05 1.17 0.00 0.00 0.00 174.94 176.58 1nnv n LYS 6 N -0.53 -0.36 -4.31 2.79 4.81 -1.26 -5.09 118.16 114.21 1nnv n LYS 6 Ca -0.05 -2.50 -0.16 0.00 -0.87 0.00 0.00 58.31 54.72 1nnv n LYS 6 Cb 0.64 -0.80 -0.10 0.00 0.02 0.00 0.00 35.03 34.78 1nnv n LYS 6 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1nnv s LYS 7 N -5.22 1.43 0.24 1.64 -0.14 -1.26 -4.67 119.74 111.77 1nnv s LYS 7 Ca 0.67 -1.79 0.10 0.00 -1.36 0.00 0.00 55.97 53.59 1nnv s LYS 7 Cb -0.03 -0.14 -0.05 0.00 -1.68 0.00 0.00 37.83 35.93 1nnv s LYS 7 CO 0.45 -0.35 -0.18 -0.51 -0.76 0.00 0.00 175.35 173.99 1nnv s LEU 8 N -3.31 2.56 0.25 3.17 1.43 -1.26 -5.04 118.68 116.49 1nnv s LEU 8 Ca 0.37 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1nnv s LEU 8 Cb 0.07 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 1nnv s LEU 8 CO 0.14 -0.03 0.42 -1.81 0.23 0.00 0.00 176.35 175.31 1nnv s ASP 9 N -3.34 6.34 0.09 2.29 1.01 -1.26 -4.99 116.67 116.81 1nnv s ASP 9 Ca 0.26 0.31 -0.24 0.00 0.71 0.00 0.00 52.55 53.60 1nnv s ASP 9 Cb -0.04 -1.97 -0.15 0.00 1.01 0.00 0.00 42.92 41.77 1nnv s ASP 9 CO 0.12 -0.12 1.73 1.55 0.21 0.00 0.00 175.17 178.65 1nnv h PRO 10 N 1.40 -0.04 -0.00 8.23 0.13 -2.01 -1.24 132.00 138.47 1nnv h PRO 10 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1nnv h PRO 10 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1nnv h PRO 10 CO 0.64 -0.02 -0.29 0.38 -0.23 0.00 0.00 178.00 178.48 1nnv h ASP 11 N -0.05 0.01 -0.07 1.44 2.03 -1.99 -2.21 116.42 115.58 1nnv h ASP 11 Ca -0.00 -0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.27 1nnv h ASP 11 Cb 0.04 -0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.54 1nnv h ASP 11 CO 0.01 0.30 -0.04 0.74 -1.03 0.00 0.00 179.24 179.21 1nnv h THR 12 N 0.01 1.34 -0.29 1.15 2.02 -1.87 -0.88 112.91 114.38 1nnv h THR 12 Ca -0.00 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 1nnv h THR 12 Cb 0.52 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1nnv h THR 12 CO 0.04 0.30 0.14 0.00 0.37 0.00 0.00 175.52 176.37 1nnv h ALA 13 N 0.60 0.37 -0.74 6.16 0.00 -1.11 -0.93 119.26 123.62 1nnv h ALA 13 Ca 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1nnv h ALA 13 Cb 0.51 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1nnv h ALA 13 CO 0.01 -0.06 0.34 0.82 0.00 0.00 0.00 179.25 180.37 1nnv h ILE 14 N 0.33 1.24 0.19 0.00 2.04 -1.44 0.89 117.51 120.76 1nnv h ILE 14 Ca 0.10 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1nnv h ILE 14 Cb 0.13 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1nnv h ILE 14 CO -0.01 0.29 -0.09 0.44 0.00 0.00 0.00 178.15 178.78 1nnv h ASP 15 N 1.04 -0.22 -0.24 1.72 5.19 -0.95 0.12 116.42 123.08 1nnv h ASP 15 Ca 0.25 -0.11 -0.17 0.00 -0.62 0.00 0.00 57.03 56.38 1nnv h ASP 15 Cb 0.14 0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.70 1nnv h ASP 15 CO -0.03 -0.02 -0.50 0.16 -3.12 0.00 0.00 179.24 175.73 1nnv h ILE 16 N -0.41 1.28 -0.78 0.35 -0.00 -1.08 -2.76 117.51 114.11 1nnv h ILE 16 Ca -0.03 -1.69 -0.02 0.00 -0.00 0.00 0.00 64.86 63.13 1nnv h ILE 16 Cb 0.32 1.58 -0.04 0.00 -0.00 0.00 0.00 36.82 38.68 1nnv h ILE 16 CO 0.04 0.55 0.43 0.00 -0.00 0.00 0.00 178.15 179.17 1nnv h ALA 17 N 0.79 1.01 -0.36 0.16 0.00 0.86 -1.05 119.26 120.66 1nnv h ALA 17 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nnv h ALA 17 Cb 1.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1nnv h ALA 17 CO 0.11 0.52 0.22 -0.92 0.00 0.00 0.00 179.25 179.18 1nnv h TYR 18 N 1.09 0.47 -0.42 0.00 5.03 -0.70 -0.42 116.97 122.02 1nnv h TYR 18 Ca 0.28 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 1nnv h TYR 18 Cb 0.04 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.14 1nnv h TYR 18 CO 0.00 0.34 0.21 -0.44 -1.32 0.00 0.00 178.16 176.95 1nnv h ASP 19 N 0.47 0.51 -0.18 -2.11 5.19 -1.17 -2.42 116.42 116.70 1nnv h ASP 19 Ca 0.13 -0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 1nnv h ASP 19 Cb 0.00 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 1nnv h ASP 19 CO -0.02 0.43 -0.03 0.40 -3.12 0.00 0.00 179.24 176.89 1nnv h ILE 20 N 0.58 1.28 -0.00 0.35 2.04 -0.40 -2.00 117.51 119.35 1nnv h ILE 20 Ca 0.15 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.06 1nnv h ILE 20 Cb 0.05 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1nnv h ILE 20 CO -0.02 0.29 -0.39 0.15 0.00 0.00 0.00 178.15 178.18 1nnv h PHE 21 N 0.07 -1.10 0.00 1.37 3.57 -0.62 0.59 116.94 120.82 1nnv h PHE 21 Ca 0.05 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1nnv h PHE 21 Cb 0.46 0.48 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1nnv h PHE 21 CO 0.05 -0.47 0.00 1.28 -2.23 0.00 0.00 178.31 176.93 1nnv n LEU 22 N -5.44 0.32 -0.07 0.59 7.99 -1.02 -1.23 117.00 118.13 1nnv n LEU 22 Ca -0.05 0.59 -0.06 0.00 -0.01 0.00 0.00 56.01 56.48 1nnv n LEU 22 Cb 0.36 -0.57 -0.02 0.00 -0.11 0.00 0.00 43.42 43.08 1nnv n LEU 22 CO 0.17 -0.48 -0.45 1.21 -1.51 0.00 0.00 177.39 176.33 1nnv n GLU 23 N -1.87 0.46 0.06 3.23 4.07 0.21 -4.66 120.64 122.14 1nnv n GLU 23 Ca 0.02 0.41 -0.18 0.00 -0.06 0.00 0.00 57.16 57.35 1nnv n GLU 23 Cb 0.16 -1.57 -0.08 0.00 -0.06 0.00 0.00 31.44 29.88 1nnv n GLU 23 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nnv h MET 24 N -0.97 0.58 -6.00 5.31 -0.00 -0.01 -3.45 114.93 110.40 1nnv h MET 24 Ca 0.00 -0.64 -0.70 0.00 -0.00 0.00 0.00 59.70 58.35 1nnv h MET 24 Cb 0.66 0.19 -0.02 0.00 -0.00 0.00 0.00 31.60 32.42 1nnv h MET 24 CO 0.00 1.25 1.38 0.00 -0.00 0.00 0.00 176.91 179.53 1nnv n ALA 25 N -2.61 0.78 -1.25 -3.00 0.00 -0.36 -4.35 120.51 109.72 1nnv n ALA 25 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1nnv n ALA 25 Cb 0.88 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 6.81 -2.16 0.01 0.00 0.00 -1.26 -4.92 105.19 103.67 1nnv n GLY 26 Ca 0.45 0.81 0.15 0.00 0.00 0.00 0.00 46.02 47.44 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 0.72 -0.05 1.61 1.02 -1.26 -3.32 120.64 119.35 1nnv n GLU 27 Ca 0.00 -0.02 -0.07 0.00 -0.02 0.00 0.00 57.16 57.05 1nnv n GLU 27 Cb 0.00 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.78 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 -1.12 0.37 -4.92 1.62 3.02 -1.26 -4.95 115.26 108.02 1nnv n ASN 28 Ca 0.19 0.17 -0.26 0.00 -0.03 0.00 0.00 54.58 54.65 1nnv n ASN 28 Cb 0.18 0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 39.97 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 -5.64 4.01 0.42 3.41 0.20 -1.21 -4.63 118.68 115.24 1nnv s LEU 29 Ca -0.07 0.61 -0.21 0.00 0.69 0.00 0.00 54.13 55.15 1nnv s LEU 29 Cb 0.07 -3.45 -0.11 0.00 -0.43 0.00 0.00 46.19 42.27 1nnv s LEU 29 CO 0.83 -0.27 0.93 -0.62 -0.29 0.00 0.00 176.35 176.94 1nnv s ASP 30 N -3.62 6.93 0.22 3.68 2.15 -1.26 -4.83 116.67 119.93 1nnv s ASP 30 Ca 0.42 1.66 -0.10 0.00 0.43 0.00 0.00 52.55 54.96 1nnv s ASP 30 Cb -0.10 -2.53 0.31 0.00 -0.30 0.00 0.00 42.92 40.30 1nnv s ASP 30 CO 0.34 -0.34 1.67 -0.65 -0.17 0.00 0.00 175.17 176.01 1nnv h PRO 31 N 1.96 0.14 0.06 4.34 0.11 -1.96 -1.33 132.00 135.31 1nnv h PRO 31 Ca -0.49 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1nnv h PRO 31 Cb 1.18 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1nnv h PRO 31 CO 0.61 0.09 -0.32 0.00 -0.21 0.00 0.00 178.00 178.17 1nnv h ALA 32 N 1.56 -0.82 0.00 -0.75 0.00 -2.00 0.28 119.26 117.53 1nnv h ALA 32 Ca 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nnv h ALA 32 Cb 0.53 0.74 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nnv h ALA 32 CO -0.51 -0.90 -0.00 -0.44 0.00 0.00 0.00 179.25 177.39 1nnv h ASP 33 N -0.45 0.00 0.12 0.00 5.19 -1.93 -0.37 116.42 118.98 1nnv h ASP 33 Ca -0.00 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 1nnv h ASP 33 Cb 0.46 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 1nnv h ASP 33 CO -0.18 0.00 -0.53 0.40 -3.12 0.00 0.00 179.24 175.81 1nnv h ILE 34 N 0.00 1.33 -0.07 0.35 2.04 0.03 -2.30 117.51 118.89 1nnv h ILE 34 Ca -0.00 -1.79 -0.02 0.00 1.00 0.00 0.00 64.86 64.05 1nnv h ILE 34 Cb 0.02 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1nnv h ILE 34 CO 0.00 0.55 -0.05 0.17 0.00 0.00 0.00 178.15 178.82 1nnv h LEU 35 N 0.35 0.17 0.73 1.44 8.10 0.76 -3.08 115.31 123.78 1nnv h LEU 35 Ca 0.01 -0.45 -0.04 0.00 0.11 0.00 0.00 57.88 57.51 1nnv h LEU 35 Cb 1.05 -0.05 0.01 0.00 -0.44 0.00 0.00 40.66 41.23 1nnv h LEU 35 CO 0.09 0.58 -0.35 -0.07 -4.11 0.00 0.00 178.44 174.59 1nnv h LEU 36 N -0.24 -0.82 -1.80 0.17 3.38 -1.51 -2.59 115.31 111.89 1nnv h LEU 36 Ca 0.01 0.03 0.54 0.00 0.09 0.00 0.00 57.88 58.56 1nnv h LEU 36 Cb 0.53 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.39 1nnv h LEU 36 CO 0.01 -0.59 1.26 0.33 0.09 0.00 0.00 178.44 179.55 1nnv n PHE 37 N -4.64 0.20 -0.03 1.13 7.35 -0.87 0.12 117.46 120.72 1nnv n PHE 37 Ca -0.12 0.20 -0.14 0.00 -0.76 0.00 0.00 57.45 56.63 1nnv n PHE 37 Cb 0.38 -0.68 -0.11 0.00 0.35 0.00 0.00 39.48 39.42 1nnv n PHE 37 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1nnv h ASN 38 N 0.00 0.08 1.70 -2.13 4.21 -1.38 -3.32 115.58 114.74 1nnv h ASN 38 Ca 0.92 -0.70 -0.00 0.00 1.21 0.00 0.00 56.30 57.72 1nnv h ASN 38 Cb 3.49 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 40.66 1nnv h ASN 38 CO -0.14 0.76 -0.30 -0.07 -1.29 0.00 0.00 177.43 176.40 1nnv h LEU 39 N -0.61 0.00 -7.23 1.61 -0.00 0.44 -3.44 115.31 106.09 1nnv h LEU 39 Ca -0.01 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.39 1nnv h LEU 39 Cb 0.77 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 41.03 1nnv h LEU 39 CO 0.01 0.01 -0.76 0.00 -0.00 0.00 0.00 178.44 177.71 1nnv s GLN 40 N -3.25 0.46 0.00 1.13 -2.07 0.32 -4.89 119.66 111.36 1nnv s GLN 40 Ca 0.05 -0.25 0.00 0.00 -1.82 0.00 0.00 55.36 53.34 1nnv s GLN 40 Cb 0.06 -1.88 0.00 0.00 -1.09 0.00 0.00 33.01 30.10 1nnv s GLN 40 CO 0.71 -0.61 0.00 0.34 -1.32 0.00 0.00 175.29 174.41 1nnv n PHE 41 N 5.13 -0.62 0.02 9.60 7.35 -1.26 -3.94 117.46 133.74 1nnv n PHE 41 Ca -0.08 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.64 1nnv n PHE 41 Cb 0.48 0.12 0.41 0.00 0.35 0.00 0.00 39.48 40.84 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 0.48 0.00 -4.13 4.57 -1.90 1.03 114.58 114.64 1nnv h GLU 42 Ca 0.00 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1nnv h GLU 42 Cb 0.00 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1nnv h GLU 42 CO 0.00 0.38 -0.28 0.93 -1.18 0.00 0.00 179.01 178.86 1nnv h GLU 43 N 0.49 0.00 -1.80 1.92 4.39 -1.92 -3.39 114.58 114.27 1nnv h GLU 43 Ca 0.13 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.19 1nnv h GLU 43 Cb 0.06 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.32 1nnv h GLU 43 CO -0.02 0.86 -0.33 2.89 -1.16 0.00 0.00 179.01 181.25 1nnv n ARG 44 N -4.59 3.40 -3.82 2.33 0.00 -1.17 -5.02 116.66 107.80 1nnv n ARG 44 Ca -0.13 -4.44 -0.36 0.00 -0.00 0.00 0.00 57.85 52.91 1nnv n ARG 44 Cb 0.46 -2.26 -0.12 0.00 -0.00 0.00 0.00 32.46 30.54 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 -3.02 1.82 -0.18 2.89 0.00 0.36 -2.88 107.32 106.31 1nnv s GLY 45 Ca 0.48 -1.02 -0.06 0.00 0.00 0.00 0.00 44.72 44.12 1nnv s GLY 45 CO -0.21 0.42 0.37 -0.32 0.00 0.00 0.00 173.10 173.36 1nnv s GLY 46 N 1.30 -0.29 -0.62 0.20 0.00 -1.26 -4.91 107.32 101.74 1nnv s GLY 46 Ca 0.05 1.34 -0.11 0.00 0.00 0.00 0.00 44.72 46.00 1nnv s GLY 46 CO 0.04 2.29 0.52 0.14 0.00 0.00 0.00 173.10 176.08 1nnv s VAL 47 N 2.56 4.70 0.15 1.40 1.01 -1.26 -3.51 120.40 125.45 1nnv s VAL 47 Ca -0.01 -2.17 -0.29 0.00 0.00 0.00 0.00 61.98 59.51 1nnv s VAL 47 Cb -0.12 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 1nnv s VAL 47 CO -0.12 -0.89 0.92 -1.83 0.00 0.00 0.00 175.10 173.19 1nnv s GLU 48 N 0.77 4.72 -0.01 2.72 -1.05 -0.67 -4.86 118.70 120.31 1nnv s GLU 48 Ca 0.11 1.40 -0.23 0.00 -0.15 0.00 0.00 54.97 56.10 1nnv s GLU 48 Cb -0.21 -3.34 -0.05 0.00 -0.44 0.00 0.00 34.13 30.10 1nnv s GLU 48 CO -0.03 0.35 0.67 0.12 0.95 0.00 0.00 175.26 177.32 1nnv s PHE 49 N -0.47 3.66 0.00 4.83 5.36 -1.26 -1.19 117.98 128.92 1nnv s PHE 49 Ca 0.43 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.69 1nnv s PHE 49 Cb -0.24 -2.73 0.00 0.00 -0.34 0.00 0.00 43.02 39.72 1nnv s PHE 49 CO 0.29 0.25 0.00 1.33 -1.46 0.00 0.00 175.22 175.63 1nnv n VAL 50 N 3.08 0.00 -4.47 3.12 0.24 0.31 -4.95 118.33 115.66 1nnv n VAL 50 Ca -0.04 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.04 1nnv n VAL 50 Cb 0.51 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.78 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 -1.97 1.71 0.73 7.34 2.02 -1.26 -2.38 118.70 124.90 1nnv s GLU 51 Ca 0.00 -1.96 -0.15 0.00 0.02 0.00 0.00 54.97 52.88 1nnv s GLU 51 Cb 0.00 -0.87 0.04 0.00 0.10 0.00 0.00 34.13 33.40 1nnv s GLU 51 CO 0.00 -0.22 1.19 0.99 0.02 0.00 0.00 175.26 177.23 1nnv s THR 52 N -3.26 2.45 0.00 3.63 2.01 -1.26 -4.52 115.64 114.70 1nnv s THR 52 Ca 0.34 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.56 1nnv s THR 52 Cb 0.08 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.83 1nnv s THR 52 CO 0.15 -0.12 0.00 0.00 -0.69 0.00 0.00 174.62 173.96 1nnv n ALA 53 N -2.74 0.00 -0.77 7.40 0.00 -1.26 -4.93 120.51 118.20 1nnv n ALA 53 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.37 1nnv n ALA 53 Cb 0.51 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.27 4.87 -0.70 0.00 8.00 -1.26 -4.58 116.55 122.61 1nnv n ASP 54 Ca 0.00 -3.23 0.00 0.00 0.71 0.00 0.00 54.79 52.27 1nnv n ASP 54 Cb 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 1nnv n ASP 54 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nnv n ASP 55 N -0.49 -1.63 -1.89 -2.24 8.00 -1.26 -5.04 116.55 112.00 1nnv n ASP 55 Ca 0.43 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.96 1nnv n ASP 55 Cb 1.06 -0.81 0.04 0.00 -0.02 0.00 0.00 41.12 41.38 1nnv n ASP 55 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1nnv n TRP 56 N 0.56 0.45 -1.54 1.24 4.27 -1.26 -5.02 117.44 116.14 1nnv n TRP 56 Ca 0.00 -1.09 -0.15 0.00 -3.89 0.00 0.00 57.50 52.37 1nnv n TRP 56 Cb 0.00 -0.18 -0.12 0.00 -1.36 0.00 0.00 31.31 29.65 1nnv n TRP 56 CO 0.00 0.00 0.00 -0.85 -2.29 0.00 0.00 177.69 174.55 1nnv n GLU 57 N 0.06 0.09 0.00 -2.67 0.28 -1.26 -3.37 120.64 113.77 1nnv n GLU 57 Ca 0.08 -1.66 0.00 0.00 -0.16 0.00 0.00 57.16 55.42 1nnv n GLU 57 Cb 1.02 -3.86 0.00 0.00 1.43 0.00 0.00 31.44 30.02 1nnv n GLU 57 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1nnv n GLU 58 N 8.07 0.00 -0.09 3.44 4.71 -1.26 -4.75 120.64 130.75 1nnv n GLU 58 Ca 0.40 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 57.32 1nnv n GLU 58 Cb 0.47 -0.10 -0.12 0.00 -1.01 0.00 0.00 31.44 30.68 1nnv n GLU 58 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1nnv n GLU 59 N -1.22 0.61 0.13 3.49 0.28 -1.22 -4.36 120.64 118.35 1nnv n GLU 59 Ca 0.00 0.42 -0.01 0.00 -0.16 0.00 0.00 57.16 57.41 1nnv n GLU 59 Cb 0.00 -1.67 0.13 0.00 1.43 0.00 0.00 31.44 31.33 1nnv n GLU 59 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 1nnv h ILE 60 N -0.74 1.37 -3.09 3.84 3.07 -1.94 -3.49 117.51 116.53 1nnv h ILE 60 Ca -0.46 -2.31 -0.00 0.00 1.55 0.00 0.00 64.86 63.64 1nnv h ILE 60 Cb 1.55 2.28 0.00 0.00 -0.27 0.00 0.00 36.82 40.38 1nnv h ILE 60 CO -0.20 0.64 -0.00 0.61 -1.05 0.00 0.00 178.15 178.15 1nnv n GLY 61 N 0.55 -0.23 0.00 0.16 0.00 -1.26 -4.99 105.19 99.42 1nnv n GLY 61 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.08 0.00 -1.65 1.61 0.24 -1.26 -5.03 118.33 111.16 1nnv n VAL 62 Ca -0.00 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.85 1nnv n VAL 62 Cb 0.50 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.85 1nnv n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nnv n LEU 63 N 0.00 2.83 -4.49 1.34 -0.00 -1.26 -4.27 117.00 111.15 1nnv n LEU 63 Ca 0.00 1.16 -0.34 0.00 -0.00 0.00 0.00 56.01 56.83 1nnv n LEU 63 Cb 0.00 -1.40 -0.12 0.00 -0.00 0.00 0.00 43.42 41.90 1nnv n LEU 63 CO 0.00 -0.70 -0.37 -0.63 -0.00 0.00 0.00 177.39 175.69 1nnv s ILE 64 N -0.40 3.73 -0.25 1.47 -1.09 -1.26 -4.97 121.20 118.43 1nnv s ILE 64 Ca 0.65 -0.43 -0.02 0.00 -2.23 0.00 0.00 60.65 58.62 1nnv s ILE 64 Cb -0.67 -2.60 0.08 0.00 -1.58 0.00 0.00 42.46 37.69 1nnv s ILE 64 CO 0.54 0.52 0.08 -1.81 -1.23 0.00 0.00 174.94 173.03 1nnv s ASP 65 N 0.15 3.40 0.87 3.58 1.01 -1.26 -4.76 116.67 119.66 1nnv s ASP 65 Ca -0.03 -1.19 -0.10 0.00 0.71 0.00 0.00 52.55 51.94 1nnv s ASP 65 Cb -0.14 -0.63 0.11 0.00 1.01 0.00 0.00 42.92 43.27 1nnv s ASP 65 CO 0.03 -0.37 1.12 -2.16 0.21 0.00 0.00 175.17 174.00 1nnv s PRO 66 N 1.83 1.45 0.00 8.23 0.04 -1.26 -3.16 135.00 142.13 1nnv s PRO 66 Ca 0.05 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1nnv s PRO 66 Cb -0.17 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1nnv s PRO 66 CO -0.19 -2.26 0.00 0.39 0.04 0.00 0.00 177.00 174.98 1nnv n GLU 67 N -3.96 0.00 0.00 4.56 -0.58 -1.26 -4.67 120.64 114.73 1nnv n GLU 67 Ca 0.10 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.85 1nnv n GLU 67 Cb 0.53 -2.35 -0.00 0.00 -0.57 0.00 0.00 31.44 29.05 1nnv n GLU 67 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1nnv n GLU 68 N -2.00 3.18 -4.20 3.49 0.28 -1.19 -4.97 120.64 115.23 1nnv n GLU 68 Ca 0.00 -0.27 -0.18 0.00 -0.16 0.00 0.00 57.16 56.55 1nnv n GLU 68 Cb 0.00 -0.78 -0.12 0.00 1.43 0.00 0.00 31.44 31.96 1nnv n GLU 68 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1nnv s TYR 69 N -0.68 1.05 -0.18 -1.84 2.02 -1.24 -0.75 117.35 115.72 1nnv s TYR 69 Ca 0.01 -0.41 -0.06 0.00 -0.37 0.00 0.00 57.07 56.24 1nnv s TYR 69 Cb 0.01 -0.61 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 1nnv s TYR 69 CO 0.04 0.01 0.04 0.00 -1.57 0.00 0.00 175.55 174.08 1nnv s ALA 70 N -1.09 3.27 -0.14 3.71 0.00 -0.60 -4.08 121.76 122.84 1nnv s ALA 70 Ca -0.02 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 51.00 1nnv s ALA 70 Cb -0.09 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 1nnv s ALA 70 CO 0.01 0.10 0.27 -2.00 0.00 0.00 0.00 175.76 174.15 1nnv s GLU 71 N 0.53 4.09 -0.03 0.00 2.56 -1.00 -2.35 118.70 122.49 1nnv s GLU 71 Ca 0.02 0.08 0.03 0.00 0.00 0.00 0.00 54.97 55.09 1nnv s GLU 71 Cb -0.13 -3.36 0.00 0.00 2.00 0.00 0.00 34.13 32.64 1nnv s GLU 71 CO 0.01 0.38 -0.10 0.08 -0.56 0.00 0.00 175.26 175.08 1nnv s VAL 72 N 0.03 0.87 -0.06 3.70 1.01 0.15 0.12 120.40 126.21 1nnv s VAL 72 Ca 0.17 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1nnv s VAL 72 Cb -0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1nnv s VAL 72 CO 0.05 0.27 -0.22 0.26 0.00 0.00 0.00 175.10 175.45 1nnv s TRP 73 N 0.23 2.51 -0.23 5.22 0.52 -0.33 0.11 118.94 126.95 1nnv s TRP 73 Ca -0.04 -0.62 0.00 0.00 0.02 0.00 0.00 56.10 55.46 1nnv s TRP 73 Cb -0.09 -1.62 0.06 0.00 -1.15 0.00 0.00 33.47 30.67 1nnv s TRP 73 CO 0.01 -0.15 -0.04 0.08 0.02 0.00 0.00 176.95 176.87 1nnv s VAL 74 N -0.22 1.41 0.00 4.03 1.01 -0.74 -1.67 120.40 124.22 1nnv s VAL 74 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1nnv s VAL 74 Cb -0.13 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1nnv s VAL 74 CO 0.03 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1nnv n GLY 75 N 4.71 4.50 2.28 4.51 0.00 -1.23 0.80 105.19 120.76 1nnv n GLY 75 Ca -0.11 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.72 1nnv n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nnv n LEU 76 N 0.00 0.55 -4.51 0.99 4.32 -1.04 -4.40 117.00 112.91 1nnv n LEU 76 Ca 0.00 -4.79 -0.44 0.00 -0.02 0.00 0.00 56.01 50.76 1nnv n LEU 76 Cb 0.00 0.72 -0.01 0.00 -1.62 0.00 0.00 43.42 42.51 1nnv n LEU 76 CO 0.00 2.22 0.30 1.33 -1.22 0.00 0.00 177.39 180.01 1nnv n VAL 77 N 0.26 1.95 0.00 4.08 0.24 -1.14 -4.86 118.33 118.85 1nnv n VAL 77 Ca 0.22 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1nnv n VAL 77 Cb 0.68 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1nnv n VAL 77 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1nnv n ASN 78 N 1.38 0.00 -4.04 -1.34 5.15 0.37 -4.47 115.26 112.31 1nnv n ASN 78 Ca 0.12 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.96 1nnv n ASN 78 Cb 0.33 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.62 1nnv n ASN 78 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1nnv n GLU 79 N 0.00 0.76 -0.93 1.20 4.07 -1.26 -4.52 120.64 119.96 1nnv n GLU 79 Ca 0.00 -2.21 -0.01 0.00 -0.06 0.00 0.00 57.16 54.88 1nnv n GLU 79 Cb 0.00 -0.10 -0.00 0.00 -0.06 0.00 0.00 31.44 31.28 1nnv n GLU 79 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nnv n GLN 80 N -1.81 -1.10 -1.97 5.31 -0.00 -1.26 -2.50 117.38 114.06 1nnv n GLN 80 Ca 0.09 0.04 -0.02 0.00 -0.00 0.00 0.00 57.00 57.11 1nnv n GLN 80 Cb 0.42 -3.92 0.00 0.00 -0.00 0.00 0.00 30.24 26.75 1nnv n GLN 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1nnv n ASP 81 N 1.10 -3.94 -3.67 2.61 -0.08 -1.26 -5.09 116.55 106.22 1nnv n ASP 81 Ca -0.01 0.11 -0.09 0.00 -1.51 0.00 0.00 54.79 53.29 1nnv n ASP 81 Cb 0.02 -2.43 -0.10 0.00 2.34 0.00 0.00 41.12 40.95 1nnv n ASP 81 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1nnv s GLU 82 N -2.02 0.36 0.00 -0.67 2.02 -1.04 -5.01 118.70 112.34 1nnv s GLU 82 Ca 0.05 0.95 0.00 0.00 0.02 0.00 0.00 54.97 55.99 1nnv s GLU 82 Cb -0.02 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.41 1nnv s GLU 82 CO 0.25 -0.21 0.00 -0.12 0.02 0.00 0.00 175.26 175.20 1nnv n MET 83 N 4.94 0.00 0.00 1.61 0.00 -1.26 0.14 117.12 122.55 1nnv n MET 83 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.56 1nnv n MET 83 Cb 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 33.22 33.36 1nnv n MET 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1nnv n ASP 84 N -2.30 0.00 -3.66 6.12 2.03 -1.26 -4.67 116.55 112.82 1nnv n ASP 84 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 1nnv n ASP 84 Cb 0.00 -0.28 -0.17 0.00 -0.72 0.00 0.00 41.12 39.95 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 -1.15 1.79 0.05 1.67 1.01 -1.26 -5.13 116.67 113.65 1nnv s ASP 85 Ca 0.00 -0.28 0.00 0.00 0.71 0.00 0.00 52.55 52.99 1nnv s ASP 85 Cb 0.00 -0.24 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 1nnv s ASP 85 CO 0.00 -0.29 0.17 0.54 0.21 0.00 0.00 175.17 175.80 1nnv s VAL 86 N 2.12 5.17 -0.19 -1.27 0.11 -1.26 -2.49 120.40 122.59 1nnv s VAL 86 Ca 0.03 -0.45 0.06 0.00 -2.93 0.00 0.00 61.98 58.70 1nnv s VAL 86 Cb -0.14 -3.49 -0.22 0.00 -1.53 0.00 0.00 36.38 31.00 1nnv s VAL 86 CO -0.06 0.17 0.06 0.49 -3.33 0.00 0.00 175.10 172.43 1nnv n PHE 87 N 0.46 0.35 -3.77 1.54 3.01 0.24 -4.88 117.46 114.41 1nnv n PHE 87 Ca -0.07 0.09 -0.08 0.00 1.01 0.00 0.00 57.45 58.40 1nnv n PHE 87 Cb 0.51 -1.05 -0.02 0.00 -0.01 0.00 0.00 39.48 38.91 1nnv n PHE 87 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nnv s ALA 88 N -2.53 -1.33 0.05 4.37 0.00 -0.68 -4.52 121.76 117.11 1nnv s ALA 88 Ca -0.22 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1nnv s ALA 88 Cb 0.08 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 24.01 1nnv s ALA 88 CO 0.72 -0.98 -0.15 0.15 0.00 0.00 0.00 175.76 175.50 1nnv s LYS 89 N -3.83 0.92 -0.03 0.00 -0.14 -1.04 -1.79 119.74 113.84 1nnv s LYS 89 Ca 0.09 -0.84 0.03 0.00 -1.36 0.00 0.00 55.97 53.89 1nnv s LYS 89 Cb -0.05 -0.94 0.00 0.00 -1.68 0.00 0.00 37.83 35.16 1nnv s LYS 89 CO 0.03 0.23 -0.11 -0.06 -0.76 0.00 0.00 175.35 174.67 1nnv s PHE 90 N -0.98 1.12 -0.06 3.18 0.40 0.29 -1.47 117.98 120.46 1nnv s PHE 90 Ca 0.01 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1nnv s PHE 90 Cb -0.09 -0.78 0.01 0.00 0.51 0.00 0.00 43.02 42.67 1nnv s PHE 90 CO 0.02 -0.11 -0.13 -0.51 0.70 0.00 0.00 175.22 175.19 1nnv s LEU 91 N 0.13 1.73 -0.05 -0.37 1.43 -0.87 0.30 118.68 120.98 1nnv s LEU 91 Ca -0.03 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1nnv s LEU 91 Cb -0.09 -0.83 0.04 0.00 0.03 0.00 0.00 46.19 45.34 1nnv s LEU 91 CO 0.01 0.06 0.10 -0.63 0.23 0.00 0.00 176.35 176.12 1nnv s ILE 92 N 0.46 -0.05 0.25 -0.59 1.01 -0.99 -2.14 121.20 119.16 1nnv s ILE 92 Ca -0.11 0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.43 1nnv s ILE 92 Cb -0.14 -0.18 -0.13 0.00 0.01 0.00 0.00 42.46 42.02 1nnv s ILE 92 CO 0.03 0.08 1.38 -1.20 0.00 0.00 0.00 174.94 175.23 1nnv n SER 93 N 4.21 2.70 0.23 3.58 7.64 -0.98 -1.56 113.62 129.44 1nnv n SER 93 Ca -0.27 1.15 0.13 0.00 1.01 0.00 0.00 58.87 60.89 1nnv n SER 93 Cb 0.51 -1.43 0.39 0.00 -1.01 0.00 0.00 64.21 62.67 1nnv n SER 93 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1nnv h HIS 94 N 3.91 0.00 -2.29 1.43 3.86 -1.27 -3.46 115.15 117.33 1nnv h HIS 94 Ca -0.45 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.40 1nnv h HIS 94 Cb 1.28 0.00 0.20 0.00 1.06 0.00 0.00 27.41 29.95 1nnv h HIS 94 CO 0.55 0.08 -0.67 0.54 0.86 0.00 0.00 177.93 179.29 1nnv n ARG 95 N -3.15 -2.29 -0.06 2.45 3.00 -1.26 -4.48 116.66 110.87 1nnv n ARG 95 Ca 0.02 -0.66 -0.11 0.00 -0.01 0.00 0.00 57.85 57.09 1nnv n ARG 95 Cb 0.45 -1.67 -0.04 0.00 0.00 0.00 0.00 32.46 31.21 1nnv n ARG 95 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1nnv n GLU 96 N -2.56 0.40 -2.87 5.56 4.07 -1.26 -4.92 120.64 119.06 1nnv n GLU 96 Ca 0.04 0.16 -0.42 0.00 -0.06 0.00 0.00 57.16 56.89 1nnv n GLU 96 Cb 0.53 -1.19 -0.04 0.00 -0.06 0.00 0.00 31.44 30.68 1nnv n GLU 96 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1nnv s GLU 97 N -2.58 4.30 0.03 5.31 2.02 -1.26 -4.65 118.70 121.87 1nnv s GLU 97 Ca -0.23 1.05 0.00 0.00 0.02 0.00 0.00 54.97 55.81 1nnv s GLU 97 Cb 0.05 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.70 1nnv s GLU 97 CO 0.32 -0.34 0.00 -0.25 0.02 0.00 0.00 175.26 175.01 1nnv n ASP 98 N 5.28 -8.24 -3.98 -0.19 8.00 -1.26 -5.05 116.55 111.11 1nnv n ASP 98 Ca 0.05 1.51 -0.17 0.00 0.71 0.00 0.00 54.79 56.89 1nnv n ASP 98 Cb 0.49 -4.48 -0.15 0.00 -0.02 0.00 0.00 41.12 36.96 1nnv n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nnv s ARG 99 N -0.88 0.57 -0.03 -1.24 1.70 -1.26 -4.88 118.95 112.93 1nnv s ARG 99 Ca 0.00 -0.24 0.02 0.00 -0.47 0.00 0.00 55.73 55.04 1nnv s ARG 99 Cb 0.00 -0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 33.79 1nnv s ARG 99 CO 0.00 0.14 -0.06 -1.21 -1.08 0.00 0.00 175.30 173.09 1nnv s GLU 100 N -0.11 2.68 0.01 3.89 0.41 -1.26 -4.94 118.70 119.37 1nnv s GLU 100 Ca 0.02 -0.62 0.02 0.00 -0.41 0.00 0.00 54.97 53.97 1nnv s GLU 100 Cb -0.03 -2.57 -0.01 0.00 -1.78 0.00 0.00 34.13 29.74 1nnv s GLU 100 CO -0.00 0.64 -0.06 -0.59 -0.49 0.00 0.00 175.26 174.76 1nnv s PHE 101 N -0.92 0.51 -0.02 1.61 -0.71 -1.26 -2.32 117.98 114.86 1nnv s PHE 101 Ca 0.15 -0.19 0.01 0.00 -1.04 0.00 0.00 56.93 55.86 1nnv s PHE 101 Cb -0.11 -0.32 0.02 0.00 -1.21 0.00 0.00 43.02 41.40 1nnv s PHE 101 CO 0.05 -0.03 -0.02 -3.38 -1.34 0.00 0.00 175.22 170.50 1nnv s HIS 102 N -0.43 0.40 0.04 3.49 -3.43 -0.91 -4.99 115.29 109.46 1nnv s HIS 102 Ca -0.01 -0.06 0.08 0.00 -0.80 0.00 0.00 55.06 54.28 1nnv s HIS 102 Cb -0.04 -0.40 -0.03 0.00 -1.43 0.00 0.00 32.58 30.68 1nnv s HIS 102 CO -0.00 -0.10 -0.24 0.54 -2.00 0.00 0.00 174.74 172.94 1nnv s VAL 103 N 0.68 1.92 -0.15 -5.38 0.11 -1.26 -2.05 120.40 114.27 1nnv s VAL 103 Ca -0.07 -1.29 -0.07 0.00 -2.93 0.00 0.00 61.98 57.61 1nnv s VAL 103 Cb -0.10 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.05 1nnv s VAL 103 CO -0.01 0.30 0.11 -0.63 -3.33 0.00 0.00 175.10 171.55 1nnv s ILE 104 N -0.79 5.25 0.00 7.04 1.09 -0.54 -4.91 121.20 128.34 1nnv s ILE 104 Ca 0.10 0.12 0.00 0.00 -1.10 0.00 0.00 60.65 59.77 1nnv s ILE 104 Cb -0.09 -3.33 0.00 0.00 -1.06 0.00 0.00 42.46 37.98 1nnv s ILE 104 CO 0.02 0.54 0.00 0.79 -0.10 0.00 0.00 174.94 176.19 1nnv n TRP 105 N 2.71 0.00 -3.65 3.97 7.02 -1.26 -2.48 117.44 123.75 1nnv n TRP 105 Ca -0.18 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.32 1nnv n TRP 105 Cb 0.53 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.36 1nnv n TRP 105 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1nnv s LYS 106 N 0.05 0.01 0.00 -0.99 2.47 -1.26 -4.65 119.74 115.37 1nnv s LYS 106 Ca 0.00 0.02 0.27 0.00 -1.56 0.00 0.00 55.97 54.69 1nnv s LYS 106 Cb 0.00 0.00 0.74 0.00 -1.46 0.00 0.00 37.83 37.12 1nnv s LYS 106 CO 0.00 -0.00 1.57 1.63 0.16 0.00 0.00 175.35 178.71