#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnv n THR 2 N 0.00 0.00 -2.52 3.17 5.66 -1.26 -5.09 114.28 114.24 1nnv n THR 2 Ca 0.00 -0.31 -0.43 0.00 -3.05 0.00 0.00 64.05 60.26 1nnv n THR 2 Cb 0.00 0.57 -0.02 0.00 -1.55 0.00 0.00 70.33 69.33 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 0.00 4.42 -0.38 1.09 2.01 -1.26 -5.00 115.64 116.52 1nnv s THR 3 Ca 0.11 1.70 -0.05 0.00 0.31 0.00 0.00 61.69 63.75 1nnv s THR 3 Cb 0.12 -4.16 0.08 0.00 0.01 0.00 0.00 72.50 68.55 1nnv s THR 3 CO -0.05 -0.22 0.16 -0.70 -0.69 0.00 0.00 174.62 173.12 1nnv s GLU 4 N 3.49 2.34 0.06 4.92 2.56 -1.26 -5.08 118.70 125.74 1nnv s GLU 4 Ca 0.50 -1.52 -0.31 0.00 0.00 0.00 0.00 54.97 53.65 1nnv s GLU 4 Cb -0.18 -3.54 -0.06 0.00 2.00 0.00 0.00 34.13 32.35 1nnv s GLU 4 CO 0.13 -0.89 1.34 0.42 -0.56 0.00 0.00 175.26 175.70 1nnv s ILE 5 N 1.28 3.65 0.38 -3.70 -1.09 -1.26 -4.98 121.20 115.48 1nnv s ILE 5 Ca 0.03 1.13 0.06 0.00 -2.23 0.00 0.00 60.65 59.64 1nnv s ILE 5 Cb -0.22 -3.73 -0.00 0.00 -1.58 0.00 0.00 42.46 36.93 1nnv s ILE 5 CO -0.01 0.06 0.53 -1.59 -1.23 0.00 0.00 174.94 172.70 1nnv s LYS 6 N 1.56 3.00 -0.17 2.79 -2.85 -1.24 -5.10 119.74 117.73 1nnv s LYS 6 Ca 0.63 -1.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.59 1nnv s LYS 6 Cb -0.33 -2.76 0.03 0.00 -2.06 0.00 0.00 37.83 32.71 1nnv s LYS 6 CO 0.28 -0.10 -0.11 -1.59 0.10 0.00 0.00 175.35 173.94 1nnv s LYS 7 N -4.29 1.99 0.87 1.78 0.00 -1.26 -4.48 119.74 114.36 1nnv s LYS 7 Ca 0.49 -0.66 -0.11 0.00 0.00 0.00 0.00 55.97 55.68 1nnv s LYS 7 Cb -0.10 -2.20 0.12 0.00 0.00 0.00 0.00 37.83 35.66 1nnv s LYS 7 CO 0.33 -0.36 1.15 1.28 0.00 0.00 0.00 175.35 177.75 1nnv n LEU 8 N 4.76 3.68 -4.96 2.77 4.77 -1.26 -5.02 117.00 121.73 1nnv n LEU 8 Ca -0.15 0.49 -0.22 0.00 -0.03 0.00 0.00 56.01 56.10 1nnv n LEU 8 Cb 0.48 -1.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.07 1nnv n LEU 8 CO 0.20 -2.01 0.04 -1.81 -1.33 0.00 0.00 177.39 172.48 1nnv s ASP 9 N -2.41 6.31 0.07 -1.43 1.11 -1.26 -4.99 116.67 114.07 1nnv s ASP 9 Ca 0.69 0.22 -0.34 0.00 0.18 0.00 0.00 52.55 53.30 1nnv s ASP 9 Cb -0.26 -1.92 -0.18 0.00 1.07 0.00 0.00 42.92 41.63 1nnv s ASP 9 CO 0.55 -0.16 1.61 1.55 1.18 0.00 0.00 175.17 179.90 1nnv h PRO 10 N 1.00 -0.95 -0.10 8.23 0.13 -1.99 -1.14 132.00 137.18 1nnv h PRO 10 Ca -0.51 0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1nnv h PRO 10 Cb 1.23 0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.56 1nnv h PRO 10 CO 0.61 -0.63 -0.07 0.22 -0.23 0.00 0.00 178.00 177.89 1nnv h ASP 11 N -0.99 0.13 -0.19 1.44 3.58 -1.99 -2.02 116.42 116.39 1nnv h ASP 11 Ca -0.09 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 1nnv h ASP 11 Cb 0.78 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 1nnv h ASP 11 CO 0.13 0.23 0.04 0.74 -2.88 0.00 0.00 179.24 177.50 1nnv h THR 12 N 0.14 1.21 0.05 2.25 2.02 -1.90 -2.55 112.91 114.14 1nnv h THR 12 Ca 0.03 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 1nnv h THR 12 Cb 0.23 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1nnv h THR 12 CO 0.01 0.21 -0.03 0.00 0.37 0.00 0.00 175.52 176.09 1nnv h ALA 13 N 0.85 -0.07 -1.03 6.16 0.00 -0.89 -2.54 119.26 121.73 1nnv h ALA 13 Ca 0.06 -0.11 0.26 0.00 0.00 0.00 0.00 54.91 55.13 1nnv h ALA 13 Cb 0.28 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 1nnv h ALA 13 CO 0.00 -0.45 0.66 0.82 0.00 0.00 0.00 179.25 180.29 1nnv h ILE 14 N -0.26 0.53 -0.26 0.00 2.04 -1.37 0.34 117.51 118.53 1nnv h ILE 14 Ca -0.01 -0.14 -0.17 0.00 1.00 0.00 0.00 64.86 65.54 1nnv h ILE 14 Cb 0.23 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1nnv h ILE 14 CO 0.01 0.07 -0.52 -0.78 0.00 0.00 0.00 178.15 176.94 1nnv h ASP 15 N 0.41 0.81 0.43 1.72 3.58 -1.19 -2.41 116.42 119.77 1nnv h ASP 15 Ca 0.59 -0.42 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 1nnv h ASP 15 Cb 1.47 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1nnv h ASP 15 CO -0.30 1.18 -0.21 0.40 -2.88 0.00 0.00 179.24 177.43 1nnv h ILE 16 N 0.58 0.00 -1.01 2.25 2.04 -0.00 -2.75 117.51 118.61 1nnv h ILE 16 Ca 0.02 -0.25 0.26 0.00 1.00 0.00 0.00 64.86 65.89 1nnv h ILE 16 Cb 1.09 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.04 1nnv h ILE 16 CO 0.11 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.86 1nnv h ALA 17 N -1.49 1.84 -0.10 1.87 0.00 -1.18 0.13 119.26 120.33 1nnv h ALA 17 Ca -0.06 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1nnv h ALA 17 Cb 0.44 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1nnv h ALA 17 CO 0.10 -0.32 -0.12 -0.92 0.00 0.00 0.00 179.25 177.99 1nnv h TYR 18 N 0.54 -0.29 -0.00 0.00 3.20 -1.43 -0.13 116.97 118.86 1nnv h TYR 18 Ca 0.65 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.48 1nnv h TYR 18 Cb 1.29 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.70 1nnv h TYR 18 CO -0.01 -0.18 -0.28 0.22 -1.64 0.00 0.00 178.16 176.28 1nnv h ASP 19 N -0.15 0.01 -0.26 -2.11 3.58 -0.54 -2.60 116.42 114.35 1nnv h ASP 19 Ca 0.08 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1nnv h ASP 19 Cb 0.26 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1nnv h ASP 19 CO -0.19 0.29 0.07 0.40 -2.88 0.00 0.00 179.24 176.93 1nnv h ILE 20 N 0.01 1.20 0.18 2.25 2.04 0.44 -1.51 117.51 122.12 1nnv h ILE 20 Ca -0.00 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1nnv h ILE 20 Cb 0.50 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1nnv h ILE 20 CO 0.04 0.21 -0.09 0.15 0.00 0.00 0.00 178.15 178.46 1nnv h PHE 21 N 0.25 -0.23 -0.02 1.37 3.57 -0.86 1.08 116.94 122.10 1nnv h PHE 21 Ca 0.08 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1nnv h PHE 21 Cb 0.26 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1nnv h PHE 21 CO 0.01 -0.01 0.05 -0.07 -2.23 0.00 0.00 178.31 176.06 1nnv h LEU 22 N -0.42 0.00 0.00 0.59 4.07 -1.45 -1.62 115.31 116.49 1nnv h LEU 22 Ca -0.03 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.57 1nnv h LEU 22 Cb 0.32 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.01 1nnv h LEU 22 CO 0.04 0.00 -2.24 -1.84 -1.08 0.00 0.00 178.44 173.32 1nnv n GLU 23 N -3.45 0.48 0.24 1.13 -0.00 -0.57 -4.75 120.64 113.72 1nnv n GLU 23 Ca -0.02 0.19 -0.13 0.00 -0.00 0.00 0.00 57.16 57.20 1nnv n GLU 23 Cb 0.12 -1.31 -0.07 0.00 -0.00 0.00 0.00 31.44 30.18 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 -0.68 -0.61 -6.33 3.44 2.86 0.12 -3.46 114.93 110.27 1nnv h MET 24 Ca -0.55 0.04 -0.48 0.00 -2.06 0.00 0.00 59.70 56.65 1nnv h MET 24 Cb 1.53 0.14 0.25 0.00 0.06 0.00 0.00 31.60 33.58 1nnv h MET 24 CO -0.30 -0.31 -1.88 0.00 1.06 0.00 0.00 176.91 175.48 1nnv n ALA 25 N -2.60 -4.95 0.00 6.32 0.00 -0.61 -4.68 120.51 113.98 1nnv n ALA 25 Ca -0.10 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.05 1nnv n ALA 25 Cb 0.30 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 2.76 3.34 0.81 0.00 0.00 -1.26 -4.89 105.19 105.95 1nnv n GLY 26 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 -0.12 1.61 1.02 -1.26 -4.91 120.64 116.98 1nnv n GLU 27 Ca 0.00 -1.06 -0.24 0.00 -0.02 0.00 0.00 57.16 55.84 1nnv n GLU 27 Cb 0.00 -0.16 -0.09 0.00 -0.02 0.00 0.00 31.44 31.17 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 0.13 1.79 -4.82 1.62 3.02 -1.26 -4.98 115.26 110.76 1nnv n ASN 28 Ca -0.02 0.21 -0.37 0.00 -0.03 0.00 0.00 54.58 54.38 1nnv n ASN 28 Cb 0.78 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 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 -7.10 4.41 0.57 3.41 0.20 -1.26 -4.86 118.68 114.05 1nnv s LEU 29 Ca -0.33 1.30 -0.18 0.00 0.69 0.00 0.00 54.13 55.61 1nnv s LEU 29 Cb 0.12 -3.29 -0.12 0.00 -0.43 0.00 0.00 46.19 42.47 1nnv s LEU 29 CO 0.44 0.13 0.11 -0.67 -0.29 0.00 0.00 176.35 176.06 1nnv n ASP 30 N 1.07 -2.72 0.32 3.68 2.03 -1.20 -4.74 116.55 114.98 1nnv n ASP 30 Ca -0.05 0.65 0.15 0.00 0.52 0.00 0.00 54.79 56.05 1nnv n ASP 30 Cb 0.51 -0.98 0.78 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.02 0.00 -0.40 -0.67 0.13 -1.95 -2.25 132.00 126.84 1nnv h PRO 31 Ca -0.43 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.77 1nnv h PRO 31 Cb 1.42 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.49 1nnv h PRO 31 CO 0.43 0.00 0.06 0.00 -0.23 0.00 0.00 178.00 178.25 1nnv h ALA 32 N 1.35 0.42 0.00 -0.56 0.00 -2.00 -1.76 119.26 116.70 1nnv h ALA 32 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1nnv h ALA 32 Cb 0.64 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1nnv h ALA 32 CO 0.00 -0.34 -0.63 0.38 0.00 0.00 0.00 179.25 178.66 1nnv h ASP 33 N 0.18 0.00 -0.03 0.00 2.03 -1.71 -2.34 116.42 114.54 1nnv h ASP 33 Ca 0.20 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 56.50 1nnv h ASP 33 Cb 0.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.74 1nnv h ASP 33 CO -0.28 0.63 -0.02 0.40 -1.03 0.00 0.00 179.24 178.94 1nnv h ILE 34 N 0.00 0.94 -0.08 4.15 2.04 -1.39 0.20 117.51 123.37 1nnv h ILE 34 Ca -0.01 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 1nnv h ILE 34 Cb 1.21 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1nnv h ILE 34 CO 0.08 0.00 -0.60 0.25 0.00 0.00 0.00 178.15 177.88 1nnv h LEU 35 N -0.02 0.67 0.44 1.44 5.85 -1.46 -3.06 115.31 119.17 1nnv h LEU 35 Ca 0.02 -0.67 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 1nnv h LEU 35 Cb 0.04 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1nnv h LEU 35 CO -0.04 1.24 -0.28 0.25 -0.34 0.00 0.00 178.44 179.27 1nnv h LEU 36 N 0.16 -0.71 -1.98 2.25 5.85 -1.31 -2.02 115.31 117.54 1nnv h LEU 36 Ca -0.05 0.04 0.42 0.00 0.84 0.00 0.00 57.88 59.13 1nnv h LEU 36 Cb 1.26 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.44 1nnv h LEU 36 CO 0.12 -0.42 1.05 -0.26 -0.34 0.00 0.00 178.44 178.59 1nnv h PHE 37 N -0.67 0.00 0.00 1.25 0.04 -0.47 0.59 116.94 117.68 1nnv h PHE 37 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1nnv h PHE 37 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1nnv h PHE 37 CO -0.02 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.78 1nnv n ASN 38 N -4.08 0.00 0.00 2.17 5.03 -0.80 -3.94 115.26 113.65 1nnv n ASN 38 Ca 0.32 0.16 0.03 0.00 0.87 0.00 0.00 54.58 55.96 1nnv n ASN 38 Cb 1.50 0.00 0.15 0.00 -1.02 0.00 0.00 39.78 40.41 1nnv n ASN 38 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nnv n LEU 39 N -0.30 0.00 -3.54 3.41 -0.00 -0.97 -4.48 117.00 111.12 1nnv n LEU 39 Ca 0.00 0.48 -0.09 0.00 -0.00 0.00 0.00 56.01 56.40 1nnv n LEU 39 Cb 0.00 -0.48 -0.09 0.00 -0.00 0.00 0.00 43.42 42.85 1nnv n LEU 39 CO 0.00 -0.37 -0.02 0.00 -0.00 0.00 0.00 177.39 177.00 1nnv s GLN 40 N -2.96 0.32 0.00 1.47 -2.07 0.21 -4.96 119.66 111.66 1nnv s GLN 40 Ca 0.04 0.82 0.00 0.00 -1.82 0.00 0.00 55.36 54.39 1nnv s GLN 40 Cb 0.05 -0.01 0.00 0.00 -1.09 0.00 0.00 33.01 31.95 1nnv s GLN 40 CO 0.13 -0.41 0.00 0.34 -1.32 0.00 0.00 175.29 174.03 1nnv n PHE 41 N 5.38 0.00 0.17 9.60 7.35 -1.25 -2.91 117.46 135.78 1nnv n PHE 41 Ca -0.06 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.54 1nnv n PHE 41 Cb 0.50 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.28 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 -0.58 -4.13 4.81 -1.90 1.09 114.58 113.39 1nnv h GLU 42 Ca 0.00 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 1nnv h GLU 42 Cb 0.00 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1nnv h GLU 42 CO 0.00 -0.32 -0.06 1.49 -0.73 0.00 0.00 179.01 179.39 1nnv h GLU 43 N -0.50 1.06 -0.95 1.92 4.57 -1.97 -2.86 114.58 115.85 1nnv h GLU 43 Ca -0.04 -0.37 -0.35 0.00 -1.18 0.00 0.00 59.36 57.43 1nnv h GLU 43 Cb 0.42 -0.08 -0.21 0.00 -0.16 0.00 0.00 28.75 28.72 1nnv h GLU 43 CO 0.01 1.07 0.44 0.54 -1.18 0.00 0.00 179.01 179.89 1nnv n ARG 44 N -4.16 2.34 -3.36 1.92 5.12 -1.21 -4.89 116.66 112.42 1nnv n ARG 44 Ca 0.02 -2.41 -0.39 0.00 -1.93 0.00 0.00 57.85 53.14 1nnv n ARG 44 Cb 0.38 -1.97 -0.09 0.00 -1.16 0.00 0.00 32.46 29.63 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 -0.79 1.90 -0.31 -0.13 0.00 0.38 -3.08 107.32 105.29 1nnv s GLY 45 Ca 0.45 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 44.46 1nnv s GLY 45 CO 0.09 1.00 0.40 -0.32 0.00 0.00 0.00 173.10 174.28 1nnv s GLY 46 N 1.53 -0.48 -0.68 0.20 0.00 -1.26 -4.88 107.32 101.74 1nnv s GLY 46 Ca 0.17 -0.01 -0.18 0.00 0.00 0.00 0.00 44.72 44.69 1nnv s GLY 46 CO 0.09 2.99 0.79 0.14 0.00 0.00 0.00 173.10 177.12 1nnv s VAL 47 N 2.34 4.87 0.15 1.40 1.01 -1.26 -4.23 120.40 124.68 1nnv s VAL 47 Ca 0.11 -1.23 -0.28 0.00 0.00 0.00 0.00 61.98 60.58 1nnv s VAL 47 Cb -0.13 -4.55 -0.07 0.00 0.00 0.00 0.00 36.38 31.64 1nnv s VAL 47 CO -0.26 -1.20 0.88 -0.70 0.00 0.00 0.00 175.10 173.83 1nnv s GLU 48 N 2.46 4.69 -0.32 2.72 2.56 -1.01 -4.91 118.70 124.89 1nnv s GLU 48 Ca 0.16 1.34 -0.19 0.00 0.00 0.00 0.00 54.97 56.28 1nnv s GLU 48 Cb -0.19 -3.32 -0.01 0.00 2.00 0.00 0.00 34.13 32.61 1nnv s GLU 48 CO 0.02 0.40 0.56 0.12 -0.56 0.00 0.00 175.26 175.80 1nnv s PHE 49 N -0.62 3.20 0.00 5.30 5.36 -1.26 -1.89 117.98 128.07 1nnv s PHE 49 Ca 0.41 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.77 1nnv s PHE 49 Cb -0.24 -2.94 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 1nnv s PHE 49 CO 0.29 -0.49 0.00 0.28 -1.46 0.00 0.00 175.22 173.83 1nnv n VAL 50 N 5.40 0.00 -4.11 3.12 0.31 0.42 -4.98 118.33 118.48 1nnv n VAL 50 Ca -0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 1nnv n VAL 50 Cb 0.49 -0.60 -0.11 0.00 -0.91 0.00 0.00 33.84 32.71 1nnv n VAL 50 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1nnv s GLU 51 N -1.19 0.68 0.99 5.55 2.02 -1.25 -2.93 118.70 122.57 1nnv s GLU 51 Ca 0.00 -0.99 -0.12 0.00 0.02 0.00 0.00 54.97 53.87 1nnv s GLU 51 Cb 0.00 -0.32 0.12 0.00 0.10 0.00 0.00 34.13 34.03 1nnv s GLU 51 CO 0.00 0.04 0.71 2.41 0.02 0.00 0.00 175.26 178.44 1nnv n THR 52 N 0.88 0.00 -1.40 3.63 -1.04 -1.23 -4.55 114.28 110.58 1nnv n THR 52 Ca -0.19 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1nnv n THR 52 Cb 0.57 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 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 -4.13 0.00 -0.21 2.41 0.00 -1.26 -4.86 120.51 112.46 1nnv n ALA 53 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 1nnv n ALA 53 Cb 0.54 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 3.76 -1.53 0.00 9.92 -1.26 -4.01 116.55 123.43 1nnv n ASP 54 Ca 0.00 -2.84 -0.00 0.00 -0.53 0.00 0.00 54.79 51.42 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 0.47 0.13 0.00 0.00 177.20 177.80 1nnv n ASP 55 N -0.25 -2.14 -2.64 -2.24 9.92 -1.21 -4.95 116.55 113.03 1nnv n ASP 55 Ca 0.30 0.03 -0.35 0.00 -0.53 0.00 0.00 54.79 54.24 1nnv n ASP 55 Cb 1.02 -1.10 0.03 0.00 -0.64 0.00 0.00 41.12 40.44 1nnv n ASP 55 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 1nnv n TRP 56 N -0.04 2.73 -0.66 1.24 4.27 -1.26 -4.85 117.44 118.88 1nnv n TRP 56 Ca 0.00 -2.41 -0.21 0.00 -3.89 0.00 0.00 57.50 50.98 1nnv n TRP 56 Cb 0.00 -1.27 -0.02 0.00 -1.36 0.00 0.00 31.31 28.66 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 -0.35 1.62 0.00 -2.67 0.28 -1.25 -3.49 120.64 114.78 1nnv n GLU 57 Ca 0.54 -1.33 0.00 0.00 -0.16 0.00 0.00 57.16 56.20 1nnv n GLU 57 Cb 0.41 -2.43 0.00 0.00 1.43 0.00 0.00 31.44 30.84 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 4.76 0.15 -0.01 3.44 -0.58 -1.26 -4.28 120.64 122.85 1nnv n GLU 58 Ca 0.38 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.93 1nnv n GLU 58 Cb 0.15 -0.74 -0.14 0.00 -0.57 0.00 0.00 31.44 30.14 1nnv n GLU 58 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1nnv n GLU 59 N -1.92 0.73 -0.03 3.49 0.28 -1.23 -4.32 120.64 117.64 1nnv n GLU 59 Ca 0.00 0.25 -0.02 0.00 -0.16 0.00 0.00 57.16 57.23 1nnv n GLU 59 Cb 0.24 -1.70 -0.13 0.00 1.43 0.00 0.00 31.44 31.28 1nnv n GLU 59 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1nnv n ILE 60 N -3.38 1.10 0.00 3.84 -5.35 -1.26 -5.00 119.36 109.31 1nnv n ILE 60 Ca -0.31 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.44 1nnv n ILE 60 Cb 1.05 -0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 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 1.51 2.21 3.69 3.28 0.00 -1.26 -5.01 105.19 109.62 1nnv n GLY 61 Ca -0.18 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.19 2.33 0.14 1.61 -7.23 -1.26 -4.63 120.40 111.16 1nnv s VAL 62 Ca 0.00 0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 59.98 1nnv s VAL 62 Cb 0.00 -2.23 -0.07 0.00 0.56 0.00 0.00 36.38 34.65 1nnv s VAL 62 CO 0.00 -0.14 1.02 -0.76 -0.31 0.00 0.00 175.10 174.91 1nnv s LEU 63 N -6.46 4.50 -0.62 1.32 2.01 -1.26 -3.92 118.68 114.26 1nnv s LEU 63 Ca 0.66 1.91 -0.03 0.00 0.01 0.00 0.00 54.13 56.68 1nnv s LEU 63 Cb -0.22 -3.59 0.16 0.00 0.01 0.00 0.00 46.19 42.55 1nnv s LEU 63 CO 0.57 -0.12 0.43 -0.63 1.01 0.00 0.00 176.35 177.62 1nnv s ILE 64 N -0.13 3.67 -0.34 -0.59 -1.09 -1.26 -5.01 121.20 116.45 1nnv s ILE 64 Ca 0.48 -2.97 -0.29 0.00 -2.23 0.00 0.00 60.65 55.64 1nnv s ILE 64 Cb -0.26 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1nnv s ILE 64 CO 0.32 -0.87 1.32 -1.81 -1.23 0.00 0.00 174.94 172.67 1nnv s ASP 65 N 0.66 6.58 0.00 3.58 1.11 -1.26 -3.36 116.67 123.98 1nnv s ASP 65 Ca 0.17 1.08 0.00 0.00 0.18 0.00 0.00 52.55 53.98 1nnv s ASP 65 Cb -0.20 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.25 1nnv s ASP 65 CO -0.03 -1.18 0.89 -2.65 1.18 0.00 0.00 175.17 173.38 1nnv n PRO 66 N 7.53 0.00 0.00 8.23 -0.01 -1.26 0.64 135.00 150.14 1nnv n PRO 66 Ca 0.15 0.86 0.01 0.00 -0.01 0.00 0.00 63.50 64.51 1nnv n PRO 66 Cb 0.47 -1.39 0.08 0.00 -0.01 0.00 0.00 33.50 32.65 1nnv n PRO 66 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1nnv n GLU 67 N -2.51 0.73 0.00 -0.52 -0.58 -1.26 -2.88 120.64 113.62 1nnv n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1nnv n GLU 67 Cb 0.00 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1nnv n GLU 67 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1nnv n GLU 68 N -0.56 3.81 -4.83 3.49 1.02 -0.41 -4.89 120.64 118.27 1nnv n GLU 68 Ca 0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.86 1nnv n GLU 68 Cb 0.01 -0.69 -0.14 0.00 -0.02 0.00 0.00 31.44 30.60 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 -1.35 2.28 -0.05 -0.32 1.51 0.21 0.12 117.35 119.74 1nnv s TYR 69 Ca 0.00 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1nnv s TYR 69 Cb 0.00 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1nnv s TYR 69 CO 0.00 0.15 -0.11 0.00 -1.11 0.00 0.00 175.55 174.47 1nnv s ALA 70 N -0.83 2.79 -0.06 3.71 0.00 -0.98 -3.47 121.76 122.92 1nnv s ALA 70 Ca 0.12 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1nnv s ALA 70 Cb -0.10 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1nnv s ALA 70 CO 0.02 0.57 -0.11 -2.00 0.00 0.00 0.00 175.76 174.24 1nnv s GLU 71 N -0.83 2.66 -0.00 0.00 2.12 -1.15 -2.36 118.70 119.14 1nnv s GLU 71 Ca 0.12 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.82 1nnv s GLU 71 Cb -0.11 -2.48 0.00 0.00 0.26 0.00 0.00 34.13 31.80 1nnv s GLU 71 CO 0.01 0.61 -0.00 0.08 -0.54 0.00 0.00 175.26 175.43 1nnv s VAL 72 N -0.69 0.04 -0.08 3.70 1.01 0.19 0.16 120.40 124.72 1nnv s VAL 72 Ca 0.11 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1nnv s VAL 72 Cb -0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 36.38 36.20 1nnv s VAL 72 CO 0.01 0.03 -0.24 0.26 0.00 0.00 0.00 175.10 175.16 1nnv s TRP 73 N 0.16 2.50 -0.23 5.22 0.52 -0.79 0.12 118.94 126.44 1nnv s TRP 73 Ca -0.01 -0.92 0.02 0.00 0.02 0.00 0.00 56.10 55.20 1nnv s TRP 73 Cb -0.02 -1.66 0.05 0.00 -1.15 0.00 0.00 33.47 30.69 1nnv s TRP 73 CO -0.00 -0.34 -0.12 0.08 0.02 0.00 0.00 176.95 176.59 1nnv s VAL 74 N 0.16 1.93 0.00 4.03 1.01 -0.95 -2.39 120.40 124.19 1nnv s VAL 74 Ca -0.13 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1nnv s VAL 74 Cb -0.16 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1nnv s VAL 74 CO 0.07 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1nnv n GLY 75 N 4.56 4.13 2.41 4.51 0.00 -1.26 -0.49 105.19 119.05 1nnv n GLY 75 Ca -0.15 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.00 -4.27 0.99 7.94 -1.00 -4.67 117.00 114.99 1nnv n LEU 76 Ca 0.00 -4.15 -0.28 0.00 -1.11 0.00 0.00 56.01 50.46 1nnv n LEU 76 Cb 0.00 0.70 0.22 0.00 0.53 0.00 0.00 43.42 44.87 1nnv n LEU 76 CO 0.00 2.02 0.02 1.33 -1.11 0.00 0.00 177.39 179.65 1nnv n VAL 77 N 1.72 0.00 -0.39 1.96 0.24 -1.18 -4.81 118.33 115.88 1nnv n VAL 77 Ca 0.18 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1nnv n VAL 77 Cb 0.56 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 -3.39 0.00 -0.25 -1.34 2.04 -1.22 -4.70 115.26 106.41 1nnv n ASN 78 Ca 0.04 0.00 0.06 0.00 -0.44 0.00 0.00 54.58 54.25 1nnv n ASN 78 Cb 0.55 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.79 1nnv n ASN 78 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 1nnv n GLU 79 N 0.00 2.07 -1.26 -3.83 2.13 -1.26 -4.53 120.64 113.95 1nnv n GLU 79 Ca 0.00 -0.59 -0.09 0.00 0.66 0.00 0.00 57.16 57.13 1nnv n GLU 79 Cb 0.00 -1.15 0.12 0.00 0.27 0.00 0.00 31.44 30.68 1nnv n GLU 79 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nnv n GLN 80 N -0.35 2.53 -2.73 5.31 10.64 -1.26 -5.02 117.38 126.50 1nnv n GLN 80 Ca 0.05 -3.68 -0.02 0.00 -1.83 0.00 0.00 57.00 51.52 1nnv n GLN 80 Cb 0.25 -1.95 0.00 0.00 -0.86 0.00 0.00 30.24 27.69 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 -0.94 -7.95 -3.56 2.61 2.03 -1.26 -5.08 116.55 102.40 1nnv n ASP 81 Ca 0.32 1.22 -0.13 0.00 0.52 0.00 0.00 54.79 56.73 1nnv n ASP 81 Cb 0.84 -5.31 -0.05 0.00 -0.72 0.00 0.00 41.12 35.88 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 -1.83 1.07 -0.25 -0.67 2.02 -1.26 -4.98 118.70 112.79 1nnv s GLU 82 Ca 0.06 -0.32 -0.03 0.00 0.02 0.00 0.00 54.97 54.69 1nnv s GLU 82 Cb -0.02 0.49 0.10 0.00 0.10 0.00 0.00 34.13 34.80 1nnv s GLU 82 CO 0.77 -0.40 0.18 1.41 0.02 0.00 0.00 175.26 177.24 1nnv s MET 83 N -2.76 0.19 -0.00 1.61 -2.45 -1.26 -3.40 119.30 111.23 1nnv s MET 83 Ca -0.04 -0.20 0.01 0.00 -1.25 0.00 0.00 55.69 54.22 1nnv s MET 83 Cb -0.00 -1.20 -0.02 0.00 1.25 0.00 0.00 34.83 34.86 1nnv s MET 83 CO -0.04 -0.88 0.03 -0.40 1.05 0.00 0.00 175.02 174.78 1nnv n ASP 84 N 5.28 4.04 -3.89 1.11 5.68 -1.26 -4.96 116.55 122.55 1nnv n ASP 84 Ca -0.05 -0.08 -0.30 0.00 -0.50 0.00 0.00 54.79 53.87 1nnv n ASP 84 Cb 0.46 1.05 -0.16 0.00 -1.14 0.00 0.00 41.12 41.33 1nnv n ASP 84 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1nnv s ASP 85 N -2.01 3.69 -0.12 -1.12 1.01 -1.26 -5.12 116.67 111.75 1nnv s ASP 85 Ca -0.00 -1.16 -0.04 0.00 0.71 0.00 0.00 52.55 52.06 1nnv s ASP 85 Cb 0.01 -1.05 -0.03 0.00 1.01 0.00 0.00 42.92 42.85 1nnv s ASP 85 CO 0.06 -0.26 0.03 0.54 0.21 0.00 0.00 175.17 175.74 1nnv s VAL 86 N 1.49 4.53 -0.06 -1.27 0.11 -1.26 -2.37 120.40 121.56 1nnv s VAL 86 Ca -0.04 -0.15 0.05 0.00 -2.93 0.00 0.00 61.98 58.91 1nnv s VAL 86 Cb -0.18 -2.95 -0.24 0.00 -1.53 0.00 0.00 36.38 31.47 1nnv s VAL 86 CO -0.08 0.57 0.60 -0.26 -3.33 0.00 0.00 175.10 172.60 1nnv h PHE 87 N 5.57 0.19 -3.09 1.54 0.04 -1.10 -3.47 116.94 116.62 1nnv h PHE 87 Ca -0.47 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.19 1nnv h PHE 87 Cb 1.19 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.30 1nnv h PHE 87 CO 0.63 1.28 0.20 0.00 -0.60 0.00 0.00 178.31 179.81 1nnv s ALA 88 N -2.59 -0.92 0.05 2.45 0.00 -1.00 -2.23 121.76 117.52 1nnv s ALA 88 Ca -0.10 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.37 1nnv s ALA 88 Cb 0.07 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 1nnv s ALA 88 CO 0.81 -1.00 -0.14 0.15 0.00 0.00 0.00 175.76 175.58 1nnv s LYS 89 N -3.42 0.87 -0.05 0.00 1.02 -1.04 -2.23 119.74 114.90 1nnv s LYS 89 Ca 0.14 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.35 1nnv s LYS 89 Cb -0.05 -0.87 -0.00 0.00 -0.52 0.00 0.00 37.83 36.39 1nnv s LYS 89 CO 0.09 0.21 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.49 1nnv s PHE 90 N -1.01 1.79 -0.05 3.18 0.40 0.31 -1.92 117.98 120.69 1nnv s PHE 90 Ca -0.00 -0.54 0.06 0.00 -0.60 0.00 0.00 56.93 55.84 1nnv s PHE 90 Cb -0.09 -1.21 -0.01 0.00 0.51 0.00 0.00 43.02 42.22 1nnv s PHE 90 CO 0.02 -0.19 -0.22 -0.51 0.70 0.00 0.00 175.22 175.01 1nnv s LEU 91 N 0.09 2.01 -0.19 -0.37 1.43 -0.71 -0.64 118.68 120.31 1nnv s LEU 91 Ca -0.06 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 1nnv s LEU 91 Cb -0.12 -1.21 0.09 0.00 0.03 0.00 0.00 46.19 44.98 1nnv s LEU 91 CO 0.03 0.22 0.35 -0.63 0.23 0.00 0.00 176.35 176.55 1nnv s ILE 92 N -0.16 -0.55 0.53 -0.59 1.01 -0.99 -2.01 121.20 118.44 1nnv s ILE 92 Ca -0.02 0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.57 1nnv s ILE 92 Cb -0.12 -0.64 -0.10 0.00 0.01 0.00 0.00 42.46 41.60 1nnv s ILE 92 CO 0.02 0.02 0.41 -1.20 0.00 0.00 0.00 174.94 174.19 1nnv n SER 93 N 5.37 -1.48 -1.32 3.58 7.64 -1.03 -2.32 113.62 124.06 1nnv n SER 93 Ca -0.06 0.75 -0.01 0.00 1.01 0.00 0.00 58.87 60.56 1nnv n SER 93 Cb 0.50 -1.10 0.17 0.00 -1.01 0.00 0.00 64.21 62.76 1nnv n SER 93 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1nnv n HIS 94 N -1.52 1.18 -2.88 1.43 -0.00 0.31 -4.83 115.22 108.92 1nnv n HIS 94 Ca 0.11 -0.60 -0.23 0.00 -0.00 0.00 0.00 57.72 57.00 1nnv n HIS 94 Cb 0.46 -0.39 0.02 0.00 -0.00 0.00 0.00 29.99 30.08 1nnv n HIS 94 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1nnv s ARG 95 N -1.79 2.95 -0.18 -0.41 0.52 -1.26 -3.73 118.95 115.05 1nnv s ARG 95 Ca 0.27 -0.51 -0.16 0.00 -0.52 0.00 0.00 55.73 54.81 1nnv s ARG 95 Cb 0.21 -2.52 -0.06 0.00 0.52 0.00 0.00 34.95 33.10 1nnv s ARG 95 CO 0.07 -0.39 -0.31 -1.91 0.02 0.00 0.00 175.30 172.79 1nnv n GLU 96 N -2.17 0.52 -2.86 3.54 4.07 -1.26 -4.84 120.64 117.64 1nnv n GLU 96 Ca 0.03 0.28 -0.42 0.00 -0.06 0.00 0.00 57.16 57.00 1nnv n GLU 96 Cb 0.58 -1.49 -0.04 0.00 -0.06 0.00 0.00 31.44 30.43 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 -2.74 4.23 0.02 5.31 2.02 -1.26 -4.63 118.70 121.65 1nnv s GLU 97 Ca -0.27 1.02 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1nnv s GLU 97 Cb 0.04 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.65 1nnv s GLU 97 CO 0.39 -0.47 0.00 -3.47 0.02 0.00 0.00 175.26 171.73 1nnv n ASP 98 N 5.78 -8.11 -4.02 -0.19 2.03 -1.26 -5.05 116.55 105.73 1nnv n ASP 98 Ca 0.06 1.50 -0.19 0.00 0.52 0.00 0.00 54.79 56.69 1nnv n ASP 98 Cb 0.48 -4.39 -0.15 0.00 -0.72 0.00 0.00 41.12 36.34 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 -0.90 0.73 -0.06 -0.67 1.70 -1.26 -4.85 118.95 113.64 1nnv s ARG 99 Ca 0.00 -0.33 -0.01 0.00 -0.47 0.00 0.00 55.73 54.92 1nnv s ARG 99 Cb 0.00 -0.71 -0.04 0.00 -0.57 0.00 0.00 34.95 33.64 1nnv s ARG 99 CO 0.00 0.19 0.03 -1.21 -1.08 0.00 0.00 175.30 173.23 1nnv s GLU 100 N -0.23 3.01 0.00 3.89 0.41 -1.26 -4.98 118.70 119.55 1nnv s GLU 100 Ca 0.03 -0.43 0.01 0.00 -0.41 0.00 0.00 54.97 54.17 1nnv s GLU 100 Cb -0.04 -2.82 -0.01 0.00 -1.78 0.00 0.00 34.13 29.49 1nnv s GLU 100 CO -0.00 0.69 -0.03 -0.59 -0.49 0.00 0.00 175.26 174.83 1nnv s PHE 101 N -0.99 0.26 -0.07 1.61 -0.71 -1.26 -2.48 117.98 114.34 1nnv s PHE 101 Ca 0.16 -0.14 -0.04 0.00 -1.04 0.00 0.00 56.93 55.88 1nnv s PHE 101 Cb -0.12 -0.17 0.04 0.00 -1.21 0.00 0.00 43.02 41.56 1nnv s PHE 101 CO 0.06 -0.03 0.17 -3.38 -1.34 0.00 0.00 175.22 170.70 1nnv s HIS 102 N -0.33 -0.20 -0.01 3.49 -3.43 -0.85 -4.99 115.29 108.97 1nnv s HIS 102 Ca -0.02 0.55 0.08 0.00 -0.80 0.00 0.00 55.06 54.87 1nnv s HIS 102 Cb -0.03 -0.05 -0.02 0.00 -1.43 0.00 0.00 32.58 31.06 1nnv s HIS 102 CO -0.00 -0.18 -0.26 0.54 -2.00 0.00 0.00 174.74 172.84 1nnv s VAL 103 N 1.12 2.07 -0.13 -5.38 0.11 -1.26 -1.74 120.40 115.20 1nnv s VAL 103 Ca -0.09 -1.14 -0.04 0.00 -2.93 0.00 0.00 61.98 57.78 1nnv s VAL 103 Cb -0.11 -1.72 -0.03 0.00 -1.53 0.00 0.00 36.38 32.99 1nnv s VAL 103 CO -0.06 0.55 0.01 0.27 -3.33 0.00 0.00 175.10 172.55 1nnv s ILE 104 N -0.64 4.39 0.04 7.04 -0.00 -0.81 -4.93 121.20 126.30 1nnv s ILE 104 Ca 0.10 -0.20 0.02 0.00 -0.00 0.00 0.00 60.65 60.58 1nnv s ILE 104 Cb -0.10 -2.90 -0.04 0.00 -0.00 0.00 0.00 42.46 39.42 1nnv s ILE 104 CO -0.01 0.55 0.03 0.26 -0.00 0.00 0.00 174.94 175.77 1nnv s TRP 105 N -0.30 3.12 0.47 1.37 0.52 -1.26 -2.48 118.94 120.38 1nnv s TRP 105 Ca 0.07 0.07 -0.12 0.00 0.02 0.00 0.00 56.10 56.14 1nnv s TRP 105 Cb -0.12 -1.63 -0.06 0.00 -1.15 0.00 0.00 33.47 30.50 1nnv s TRP 105 CO 0.02 0.49 0.87 0.21 0.02 0.00 0.00 176.95 178.57 1nnv s LYS 106 N -1.98 3.78 0.00 4.98 2.20 -0.95 -4.98 119.74 122.79 1nnv s LYS 106 Ca 0.24 0.62 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 1nnv s LYS 106 Cb -0.12 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.93 1nnv s LYS 106 CO 0.16 -0.20 0.00 0.36 -0.36 0.00 0.00 175.35 175.31