#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 0.57 0.35 3.17 5.66 -1.26 -4.95 114.28 117.82 1nnv n THR 2 Ca 0.00 -0.08 0.08 0.00 -3.05 0.00 0.00 64.05 61.00 1nnv n THR 2 Cb 0.00 -1.01 -0.11 0.00 -1.55 0.00 0.00 70.33 67.66 1nnv n THR 2 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1nnv n THR 3 N -3.91 0.00 -4.71 1.09 5.66 -1.26 -4.96 114.28 106.20 1nnv n THR 3 Ca 0.12 -0.26 -0.24 0.00 -3.05 0.00 0.00 64.05 60.62 1nnv n THR 3 Cb 0.52 0.53 -0.15 0.00 -1.55 0.00 0.00 70.33 69.68 1nnv n THR 3 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1nnv s GLU 4 N -2.85 1.33 0.45 1.09 2.12 -1.26 -5.13 118.70 114.46 1nnv s GLU 4 Ca -0.00 -0.53 -0.24 0.00 0.36 0.00 0.00 54.97 54.55 1nnv s GLU 4 Cb 0.11 -1.25 -0.08 0.00 0.26 0.00 0.00 34.13 33.18 1nnv s GLU 4 CO 0.67 0.28 1.32 0.42 -0.54 0.00 0.00 175.26 177.41 1nnv s ILE 5 N -0.20 2.48 0.24 -3.70 -1.09 -1.26 -5.03 121.20 112.63 1nnv s ILE 5 Ca 0.03 0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.84 1nnv s ILE 5 Cb -0.08 -3.23 0.05 0.00 -1.58 0.00 0.00 42.46 37.63 1nnv s ILE 5 CO 0.00 0.04 0.32 0.29 -1.23 0.00 0.00 174.94 174.36 1nnv n LYS 6 N -0.27 0.23 -4.19 2.79 4.76 -1.26 -5.13 118.16 115.09 1nnv n LYS 6 Ca 0.06 -0.78 -0.14 0.00 -2.87 0.00 0.00 58.31 54.59 1nnv n LYS 6 Cb 0.44 -0.24 -0.09 0.00 -1.84 0.00 0.00 35.03 33.30 1nnv n LYS 6 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1nnv s LYS 7 N -3.34 1.43 0.42 1.97 1.02 -1.26 -4.95 119.74 115.03 1nnv s LYS 7 Ca 0.21 -1.69 0.07 0.00 0.02 0.00 0.00 55.97 54.58 1nnv s LYS 7 Cb -0.01 0.32 0.01 0.00 -0.52 0.00 0.00 37.83 37.63 1nnv s LYS 7 CO 0.14 -0.51 0.57 -1.17 -0.92 0.00 0.00 175.35 173.46 1nnv s LEU 8 N -3.20 3.66 -0.02 3.17 0.20 -1.26 -5.12 118.68 116.12 1nnv s LEU 8 Ca 0.37 -0.38 -0.01 0.00 0.69 0.00 0.00 54.13 54.80 1nnv s LEU 8 Cb 0.04 -2.68 -0.04 0.00 -0.43 0.00 0.00 46.19 43.09 1nnv s LEU 8 CO 0.16 -0.76 0.07 -1.81 -0.29 0.00 0.00 176.35 173.73 1nnv s ASP 9 N -4.34 5.66 0.15 3.68 1.01 -1.26 -4.97 116.67 116.61 1nnv s ASP 9 Ca 0.54 0.16 -0.23 0.00 0.71 0.00 0.00 52.55 53.74 1nnv s ASP 9 Cb -0.10 -1.63 0.04 0.00 1.01 0.00 0.00 42.92 42.24 1nnv s ASP 9 CO 0.33 0.29 1.62 -0.65 0.21 0.00 0.00 175.17 176.97 1nnv h PRO 10 N 4.25 -0.25 -0.91 8.23 0.11 -2.00 0.77 132.00 142.21 1nnv h PRO 10 Ca -0.50 0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.78 1nnv h PRO 10 Cb 1.19 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 1nnv h PRO 10 CO 0.61 -0.17 0.58 0.22 -0.21 0.00 0.00 178.00 179.04 1nnv h ASP 11 N -0.26 0.67 0.54 -2.05 3.58 -1.99 0.01 116.42 116.91 1nnv h ASP 11 Ca 0.15 0.04 -0.29 0.00 0.42 0.00 0.00 57.03 57.35 1nnv h ASP 11 Cb 0.49 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 1nnv h ASP 11 CO -0.44 0.33 -1.39 0.74 -2.88 0.00 0.00 179.24 175.60 1nnv h THR 12 N 0.70 1.32 -0.21 2.25 2.02 -1.62 -2.61 112.91 114.77 1nnv h THR 12 Ca 0.46 -2.93 -0.06 0.00 0.77 0.00 0.00 66.41 64.66 1nnv h THR 12 Cb 0.75 2.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.99 1nnv h THR 12 CO -0.22 0.85 -0.14 0.00 0.37 0.00 0.00 175.52 176.38 1nnv h ALA 13 N 0.54 1.39 0.00 6.16 0.00 0.15 -2.54 119.26 124.96 1nnv h ALA 13 Ca -0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1nnv h ALA 13 Cb 2.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1nnv h ALA 13 CO 0.18 0.42 -0.05 0.82 0.00 0.00 0.00 179.25 180.62 1nnv h ILE 14 N 0.32 0.05 -1.27 0.00 2.04 -1.12 -3.12 117.51 114.41 1nnv h ILE 14 Ca 0.06 -1.04 0.37 0.00 1.00 0.00 0.00 64.86 65.25 1nnv h ILE 14 Cb 0.43 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1nnv h ILE 14 CO 0.03 0.02 0.95 -0.78 0.00 0.00 0.00 178.15 178.36 1nnv h ASP 15 N -1.00 0.00 0.08 1.72 1.82 -1.51 0.98 116.42 118.51 1nnv h ASP 15 Ca -0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.48 1nnv h ASP 15 Cb 0.07 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.10 1nnv h ASP 15 CO -0.00 0.00 -0.66 0.16 -1.61 0.00 0.00 179.24 177.13 1nnv h ILE 16 N 0.00 1.52 -0.07 2.25 -0.00 -1.58 -2.85 117.51 116.78 1nnv h ILE 16 Ca 0.60 -2.36 -0.12 0.00 -0.00 0.00 0.00 64.86 62.98 1nnv h ILE 16 Cb 2.50 3.03 -0.01 0.00 -0.00 0.00 0.00 36.82 42.33 1nnv h ILE 16 CO -0.01 0.67 -0.50 0.00 -0.00 0.00 0.00 178.15 178.31 1nnv h ALA 17 N 0.15 1.04 -0.46 0.16 0.00 -0.55 -2.39 119.26 117.21 1nnv h ALA 17 Ca -0.11 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1nnv h ALA 17 Cb 1.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1nnv h ALA 17 CO 0.13 0.65 0.27 -0.92 0.00 0.00 0.00 179.25 179.37 1nnv h TYR 18 N 0.14 0.63 0.00 0.00 5.03 0.75 -0.59 116.97 122.93 1nnv h TYR 18 Ca 0.00 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.25 1nnv h TYR 18 Cb 0.93 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.00 1nnv h TYR 18 CO 0.01 0.45 -0.25 -0.44 -1.32 0.00 0.00 178.16 176.62 1nnv h ASP 19 N 0.61 0.00 0.89 -2.11 5.19 -1.35 -1.90 116.42 117.75 1nnv h ASP 19 Ca 0.16 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.44 1nnv h ASP 19 Cb 0.03 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 1nnv h ASP 19 CO -0.03 0.25 -0.65 0.40 -3.12 0.00 0.00 179.24 176.09 1nnv h ILE 20 N 0.00 1.32 0.21 0.35 2.04 -0.80 -1.87 117.51 118.76 1nnv h ILE 20 Ca -0.00 -2.35 -0.28 0.00 1.00 0.00 0.00 64.86 63.23 1nnv h ILE 20 Cb 0.70 2.32 0.03 0.00 -0.74 0.00 0.00 36.82 39.13 1nnv h ILE 20 CO 0.03 0.64 -1.24 0.15 0.00 0.00 0.00 178.15 177.73 1nnv h PHE 21 N 0.00 0.80 0.00 1.37 3.57 -0.72 0.12 116.94 122.08 1nnv h PHE 21 Ca -0.01 -0.58 0.00 0.00 3.53 0.00 0.00 57.97 60.91 1nnv h PHE 21 Cb 1.27 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1nnv h PHE 21 CO 0.00 1.47 0.00 1.28 -2.23 0.00 0.00 178.31 178.83 1nnv n LEU 22 N -3.88 0.00 -0.02 0.59 7.99 -0.75 -2.22 117.00 118.71 1nnv n LEU 22 Ca -0.16 0.19 -0.04 0.00 -0.01 0.00 0.00 56.01 55.99 1nnv n LEU 22 Cb 0.99 -0.19 -0.02 0.00 -0.11 0.00 0.00 43.42 44.10 1nnv n LEU 22 CO 0.55 -0.00 -0.64 -1.84 -1.51 0.00 0.00 177.39 173.96 1nnv n GLU 23 N -1.19 0.09 -0.02 3.23 0.28 -0.70 -4.85 120.64 117.48 1nnv n GLU 23 Ca 0.17 0.03 -0.21 0.00 -0.16 0.00 0.00 57.16 57.00 1nnv n GLU 23 Cb 0.20 -0.86 -0.13 0.00 1.43 0.00 0.00 31.44 32.07 1nnv n GLU 23 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 1nnv h MET 24 N -0.08 0.17 -6.27 3.44 4.05 -0.88 -3.46 114.93 111.90 1nnv h MET 24 Ca -0.10 -0.30 -0.66 0.00 -0.28 0.00 0.00 59.70 58.37 1nnv h MET 24 Cb 1.11 0.11 0.03 0.00 -0.80 0.00 0.00 31.60 32.05 1nnv h MET 24 CO -0.04 1.14 0.91 0.00 0.23 0.00 0.00 176.91 179.15 1nnv n ALA 25 N -3.00 0.37 0.00 0.39 0.00 -0.94 -4.11 120.51 113.22 1nnv n ALA 25 Ca -0.24 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1nnv n ALA 25 Cb 0.81 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 3.94 -0.43 0.04 0.00 0.00 -1.26 -4.87 105.19 102.62 1nnv n GLY 26 Ca 0.22 0.30 0.14 0.00 0.00 0.00 0.00 46.02 46.68 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 0.28 0.00 1.61 0.00 -1.26 -4.43 120.64 116.84 1nnv n GLU 27 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.07 1nnv n GLU 27 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 29.94 1nnv n GLU 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1nnv n ASN 28 N -1.29 0.00 -4.70 -1.84 3.02 -1.26 -4.96 115.26 104.23 1nnv n ASN 28 Ca 0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 1nnv n ASN 28 Cb 0.31 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 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 -4.49 4.37 0.67 3.41 0.20 -1.26 -4.93 118.68 116.66 1nnv s LEU 29 Ca 0.00 2.59 -0.18 0.00 0.69 0.00 0.00 54.13 57.23 1nnv s LEU 29 Cb 0.00 -3.58 -0.15 0.00 -0.43 0.00 0.00 46.19 42.03 1nnv s LEU 29 CO 0.00 -0.87 -0.34 -0.67 -0.29 0.00 0.00 176.35 174.18 1nnv n ASP 30 N 4.77 -4.40 0.07 3.68 2.03 -1.26 -4.56 116.55 116.87 1nnv n ASP 30 Ca 0.15 0.50 0.01 0.00 0.52 0.00 0.00 54.79 55.97 1nnv n ASP 30 Cb 0.39 -0.83 0.33 0.00 -0.72 0.00 0.00 41.12 40.30 1nnv n ASP 30 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1nnv h PRO 31 N -0.34 0.35 0.22 -0.67 0.11 -1.91 -3.03 132.00 126.74 1nnv h PRO 31 Ca -0.42 -0.09 0.01 0.00 0.11 0.00 0.00 66.00 65.61 1nnv h PRO 31 Cb 1.40 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.43 1nnv h PRO 31 CO 0.36 0.48 -0.32 0.00 -0.21 0.00 0.00 178.00 178.30 1nnv h ALA 32 N 1.55 -0.62 0.00 -0.75 0.00 -2.00 0.12 119.26 117.57 1nnv h ALA 32 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nnv h ALA 32 Cb 0.41 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1nnv h ALA 32 CO 0.02 -0.89 -0.04 -0.44 0.00 0.00 0.00 179.25 177.90 1nnv h ASP 33 N -0.61 0.00 -0.05 0.00 5.19 -1.90 -2.13 116.42 116.93 1nnv h ASP 33 Ca 0.01 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1nnv h ASP 33 Cb 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1nnv h ASP 33 CO -0.12 0.04 -0.18 0.40 -3.12 0.00 0.00 179.24 176.25 1nnv h ILE 34 N 0.00 1.45 -0.69 0.35 2.04 -1.01 -2.22 117.51 117.43 1nnv h ILE 34 Ca -0.00 -1.60 0.13 0.00 1.00 0.00 0.00 64.86 64.39 1nnv h ILE 34 Cb 0.15 2.36 -0.09 0.00 -0.74 0.00 0.00 36.82 38.50 1nnv h ILE 34 CO 0.00 0.44 0.22 0.25 0.00 0.00 0.00 178.15 179.07 1nnv h LEU 35 N -0.33 0.15 0.64 1.44 6.46 -0.14 1.00 115.31 124.52 1nnv h LEU 35 Ca -0.01 0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 1nnv h LEU 35 Cb 0.81 0.12 0.01 0.00 -0.73 0.00 0.00 40.66 40.87 1nnv h LEU 35 CO 0.04 0.06 -0.31 -0.07 -0.62 0.00 0.00 178.44 177.54 1nnv h LEU 36 N 0.36 -0.72 -1.52 2.25 3.38 -1.53 0.44 115.31 117.97 1nnv h LEU 36 Ca 0.37 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.43 1nnv h LEU 36 Cb 0.56 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 1nnv h LEU 36 CO -0.41 -0.42 0.47 0.15 0.09 0.00 0.00 178.44 178.32 1nnv h PHE 37 N -1.02 0.57 -0.05 1.13 3.57 -0.79 0.89 116.94 121.25 1nnv h PHE 37 Ca -0.09 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.29 1nnv h PHE 37 Cb 0.70 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.26 1nnv h PHE 37 CO -0.01 0.25 -0.52 -0.91 -2.23 0.00 0.00 178.31 174.90 1nnv h ASN 38 N 0.52 0.54 1.25 0.41 4.21 0.12 -3.18 115.58 119.44 1nnv h ASN 38 Ca 0.33 -0.70 0.00 0.00 1.21 0.00 0.00 56.30 57.14 1nnv h ASN 38 Cb 0.59 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 1nnv h ASN 38 CO -0.11 1.16 0.00 0.00 -1.29 0.00 0.00 177.43 177.19 1nnv n LEU 39 N -4.26 0.73 0.00 1.61 -0.00 0.15 -4.83 117.00 110.41 1nnv n LEU 39 Ca -0.09 0.60 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 1nnv n LEU 39 Cb 0.62 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 1nnv n LEU 39 CO 0.46 -0.28 0.00 0.00 -0.00 0.00 0.00 177.39 177.57 1nnv n GLN 40 N -2.22 3.43 0.00 1.47 1.13 0.30 -4.87 117.38 116.63 1nnv n GLN 40 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1nnv n GLN 40 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.72 1nnv n GLN 40 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1nnv n PHE 41 N 0.00 0.00 0.08 1.08 7.35 -1.25 -4.78 117.46 119.94 1nnv n PHE 41 Ca 0.00 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.46 1nnv n PHE 41 Cb 0.00 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.68 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 1.37 0.41 0.00 -4.13 4.57 -1.89 -2.99 114.58 111.93 1nnv h GLU 42 Ca 0.00 -0.70 -0.21 0.00 -1.18 0.00 0.00 59.36 57.27 1nnv h GLU 42 Cb 0.00 0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 1nnv h GLU 42 CO 0.00 1.33 -1.78 0.39 -1.18 0.00 0.00 179.01 177.77 1nnv n GLU 43 N -3.60 2.12 -0.61 1.92 1.02 -1.26 -4.59 120.64 115.64 1nnv n GLU 43 Ca -0.24 -0.01 0.02 0.00 -0.02 0.00 0.00 57.16 56.92 1nnv n GLU 43 Cb 1.08 -1.29 0.20 0.00 -0.02 0.00 0.00 31.44 31.41 1nnv n GLU 43 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nnv n ARG 44 N -2.42 1.81 -3.10 3.49 5.12 -1.26 -4.87 116.66 115.42 1nnv n ARG 44 Ca -0.18 -3.11 -0.42 0.00 -1.93 0.00 0.00 57.85 52.20 1nnv n ARG 44 Cb 0.87 -1.72 -0.07 0.00 -1.16 0.00 0.00 32.46 30.38 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 -2.73 1.74 -0.04 -0.13 0.00 -1.13 -2.95 107.32 102.09 1nnv s GLY 45 Ca 0.41 -0.85 -0.11 0.00 0.00 0.00 0.00 44.72 44.17 1nnv s GLY 45 CO -0.01 1.50 0.24 -0.32 0.00 0.00 0.00 173.10 174.51 1nnv s GLY 46 N 1.80 -0.11 -0.14 0.20 0.00 -1.26 -4.84 107.32 102.97 1nnv s GLY 46 Ca 0.25 0.33 -0.05 0.00 0.00 0.00 0.00 44.72 45.25 1nnv s GLY 46 CO 0.15 0.18 0.26 0.14 0.00 0.00 0.00 173.10 173.83 1nnv s VAL 47 N -0.84 -0.41 0.17 1.40 1.01 -1.26 -2.83 120.40 117.65 1nnv s VAL 47 Ca -0.09 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.16 1nnv s VAL 47 Cb -0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1nnv s VAL 47 CO 0.02 0.07 0.14 -1.83 0.00 0.00 0.00 175.10 173.50 1nnv s GLU 48 N 2.41 2.88 -0.16 2.72 -1.05 -0.96 -4.94 118.70 119.60 1nnv s GLU 48 Ca 0.02 -0.90 -0.08 0.00 -0.15 0.00 0.00 54.97 53.87 1nnv s GLU 48 Cb -0.13 -2.62 -0.04 0.00 -0.44 0.00 0.00 34.13 30.90 1nnv s GLU 48 CO -0.09 0.48 0.10 0.12 0.95 0.00 0.00 175.26 176.82 1nnv s PHE 49 N -1.79 3.41 -0.03 4.83 5.36 -1.26 -1.44 117.98 127.06 1nnv s PHE 49 Ca 0.31 0.31 -0.03 0.00 -0.96 0.00 0.00 56.93 56.56 1nnv s PHE 49 Cb -0.10 -2.04 0.01 0.00 -0.34 0.00 0.00 43.02 40.55 1nnv s PHE 49 CO 0.23 0.41 0.09 0.14 -1.46 0.00 0.00 175.22 174.63 1nnv s VAL 50 N -0.18 0.01 0.45 3.12 -7.23 -0.03 -5.00 120.40 111.54 1nnv s VAL 50 Ca 0.09 -0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.13 1nnv s VAL 50 Cb -0.12 -0.15 0.11 0.00 0.56 0.00 0.00 36.38 36.78 1nnv s VAL 50 CO 0.01 -0.03 0.31 1.21 -0.31 0.00 0.00 175.10 176.28 1nnv n GLU 51 N 2.93 -2.50 -2.11 4.82 2.13 -1.26 -0.64 120.64 124.00 1nnv n GLU 51 Ca -0.13 -0.50 -0.27 0.00 0.66 0.00 0.00 57.16 56.92 1nnv n GLU 51 Cb 0.59 -0.58 0.07 0.00 0.27 0.00 0.00 31.44 31.79 1nnv n GLU 51 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1nnv s THR 52 N -1.46 2.24 0.00 6.31 2.01 -1.22 -4.01 115.64 119.51 1nnv s THR 52 Ca 0.22 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1nnv s THR 52 Cb -0.03 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.46 1nnv s THR 52 CO 0.18 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.09 1nnv n ALA 53 N -3.03 0.00 -0.59 7.40 0.00 -1.26 -4.70 120.51 118.34 1nnv n ALA 53 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 1nnv n ALA 53 Cb 0.61 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.17 1nnv n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nnv n ASP 54 N -0.09 3.85 -0.76 0.00 5.68 -1.26 -3.85 116.55 120.11 1nnv n ASP 54 Ca 0.00 -3.13 0.00 0.00 -0.50 0.00 0.00 54.79 51.16 1nnv n ASP 54 Cb 0.00 -0.76 0.00 0.00 -1.14 0.00 0.00 41.12 39.22 1nnv n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1nnv n ASP 55 N -0.59 -1.44 -3.30 -1.12 -0.08 -1.26 -5.01 116.55 103.74 1nnv n ASP 55 Ca 0.42 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.44 1nnv n ASP 55 Cb 1.25 -0.72 -0.07 0.00 2.34 0.00 0.00 41.12 43.91 1nnv n ASP 55 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 1nnv n TRP 56 N 0.77 1.83 -1.16 -0.67 4.27 -1.26 -4.97 117.44 116.26 1nnv n TRP 56 Ca 0.00 -3.89 -0.23 0.00 -3.89 0.00 0.00 57.50 49.50 1nnv n TRP 56 Cb 0.00 -0.46 -0.11 0.00 -1.36 0.00 0.00 31.31 29.37 1nnv n TRP 56 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1nnv n GLU 57 N 1.06 2.68 0.00 -2.67 1.02 -1.26 -3.97 120.64 117.50 1nnv n GLU 57 Ca 0.26 -1.54 0.00 0.00 -0.02 0.00 0.00 57.16 55.86 1nnv n GLU 57 Cb 0.47 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1nnv n GLU 57 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1nnv n GLU 58 N 2.78 0.00 -0.07 3.49 4.07 -1.26 -4.25 120.64 125.40 1nnv n GLU 58 Ca 0.56 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.55 1nnv n GLU 58 Cb 0.65 -0.50 -0.09 0.00 -0.06 0.00 0.00 31.44 31.44 1nnv n GLU 58 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1nnv h GLU 59 N 0.00 0.00 0.12 5.31 4.11 -1.99 -3.37 114.58 118.75 1nnv h GLU 59 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.15 1nnv h GLU 59 Cb 0.97 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1nnv h GLU 59 CO 0.00 0.67 -1.34 -0.84 0.07 0.00 0.00 179.01 177.57 1nnv h ILE 60 N -1.00 1.38 0.00 -1.06 3.07 -1.90 -3.48 117.51 114.52 1nnv h ILE 60 Ca -0.08 -2.98 0.00 0.00 1.55 0.00 0.00 64.86 63.35 1nnv h ILE 60 Cb 0.79 2.87 0.00 0.00 -0.27 0.00 0.00 36.82 40.22 1nnv h ILE 60 CO -0.05 0.86 0.00 0.61 -1.05 0.00 0.00 178.15 178.53 1nnv n GLY 61 N 1.57 1.91 3.65 0.16 0.00 -1.26 -5.01 105.19 106.21 1nnv n GLY 61 Ca -0.11 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1nnv n GLY 61 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1nnv n VAL 62 N 0.00 2.30 -2.19 1.61 3.14 -1.26 -4.66 118.33 117.27 1nnv n VAL 62 Ca 0.00 -0.28 -0.43 0.00 -2.96 0.00 0.00 64.34 60.68 1nnv n VAL 62 Cb 0.00 -1.14 -0.02 0.00 -1.06 0.00 0.00 33.84 31.62 1nnv n VAL 62 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1nnv s LEU 63 N -4.39 4.26 0.27 6.55 1.43 -1.26 -4.33 118.68 121.21 1nnv s LEU 63 Ca 0.73 2.01 0.04 0.00 -1.03 0.00 0.00 54.13 55.87 1nnv s LEU 63 Cb -0.31 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 1nnv s LEU 63 CO 0.51 -0.85 0.41 -0.63 0.23 0.00 0.00 176.35 176.03 1nnv s ILE 64 N 3.71 5.16 -0.15 -0.59 -1.09 -1.26 -5.08 121.20 121.90 1nnv s ILE 64 Ca 0.65 -0.86 -0.05 0.00 -2.23 0.00 0.00 60.65 58.16 1nnv s ILE 64 Cb -0.28 -3.84 0.07 0.00 -1.58 0.00 0.00 42.46 36.83 1nnv s ILE 64 CO 0.23 -0.38 0.27 -1.81 -1.23 0.00 0.00 174.94 172.03 1nnv s ASP 65 N -4.00 0.46 0.69 3.58 1.11 -1.26 -4.75 116.67 112.49 1nnv s ASP 65 Ca 0.36 0.47 -0.16 0.00 0.18 0.00 0.00 52.55 53.40 1nnv s ASP 65 Cb -0.09 0.71 0.02 0.00 1.07 0.00 0.00 42.92 44.63 1nnv s ASP 65 CO 0.31 -0.26 1.23 -2.16 1.18 0.00 0.00 175.17 175.47 1nnv s PRO 66 N 2.42 2.36 0.00 8.23 0.04 -1.25 -2.11 135.00 144.69 1nnv s PRO 66 Ca 0.03 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1nnv s PRO 66 Cb -0.13 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1nnv s PRO 66 CO -0.10 -1.69 0.00 0.39 0.04 0.00 0.00 177.00 175.64 1nnv n GLU 67 N -2.35 0.00 0.11 4.56 1.02 -1.26 -4.23 120.64 118.49 1nnv n GLU 67 Ca 0.14 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.48 1nnv n GLU 67 Cb 0.50 0.00 0.73 0.00 -0.02 0.00 0.00 31.44 32.64 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 -6.44 3.49 5.08 -1.93 -3.41 114.58 111.38 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 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1nnv h GLU 68 CO 0.00 0.00 -0.70 0.71 -1.00 0.00 0.00 179.01 178.02 1nnv s TYR 69 N -4.52 2.86 -0.16 4.33 1.51 -0.90 0.14 117.35 120.62 1nnv s TYR 69 Ca -0.04 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 1nnv s TYR 69 Cb 0.14 -1.50 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 1nnv s TYR 69 CO 0.50 0.44 -0.18 0.00 -1.11 0.00 0.00 175.55 175.20 1nnv s ALA 70 N -1.23 2.37 -0.03 3.71 0.00 0.15 -3.44 121.76 123.29 1nnv s ALA 70 Ca 0.23 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1nnv s ALA 70 Cb -0.11 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1nnv s ALA 70 CO 0.15 -0.11 0.12 -2.00 0.00 0.00 0.00 175.76 173.92 1nnv s GLU 71 N 0.94 3.26 -0.00 0.00 2.12 0.19 0.10 118.70 125.30 1nnv s GLU 71 Ca -0.03 -0.36 0.03 0.00 0.36 0.00 0.00 54.97 54.97 1nnv s GLU 71 Cb -0.15 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.24 1nnv s GLU 71 CO -0.04 0.69 -0.10 0.08 -0.54 0.00 0.00 175.26 175.35 1nnv s VAL 72 N -1.19 0.75 -0.11 3.70 1.01 0.39 -0.85 120.40 124.11 1nnv s VAL 72 Ca 0.22 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1nnv s VAL 72 Cb -0.12 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1nnv s VAL 72 CO 0.13 0.19 -0.15 0.26 0.00 0.00 0.00 175.10 175.53 1nnv s TRP 73 N -0.27 2.75 -0.36 5.22 0.52 -0.52 0.99 118.94 127.27 1nnv s TRP 73 Ca 0.03 -0.57 0.02 0.00 0.02 0.00 0.00 56.10 55.60 1nnv s TRP 73 Cb -0.04 -1.77 0.11 0.00 -1.15 0.00 0.00 33.47 30.62 1nnv s TRP 73 CO -0.00 -0.14 0.11 0.08 0.02 0.00 0.00 176.95 177.02 1nnv s VAL 74 N 0.08 1.76 0.00 4.03 1.01 -0.22 -2.25 120.40 124.81 1nnv s VAL 74 Ca -0.06 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 59.73 1nnv s VAL 74 Cb -0.15 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1nnv s VAL 74 CO 0.05 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 175.07 1nnv n GLY 75 N 4.22 3.78 2.43 4.51 0.00 -1.13 -1.38 105.19 117.62 1nnv n GLY 75 Ca 0.03 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 1nnv n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nnv s LEU 76 N 0.00 1.17 1.36 0.99 2.96 -1.00 -4.15 118.68 120.00 1nnv s LEU 76 Ca 0.00 -2.76 -0.22 0.00 -0.22 0.00 0.00 54.13 50.94 1nnv s LEU 76 Cb 0.00 -0.34 0.34 0.00 0.50 0.00 0.00 46.19 46.70 1nnv s LEU 76 CO 0.00 -0.21 0.99 0.68 -1.32 0.00 0.00 176.35 176.49 1nnv s VAL 77 N 0.40 1.31 0.06 1.68 -7.23 -1.15 -4.51 120.40 110.96 1nnv s VAL 77 Ca 0.28 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.46 1nnv s VAL 77 Cb -0.04 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1nnv s VAL 77 CO -0.13 0.00 0.02 0.59 -0.31 0.00 0.00 175.10 175.27 1nnv n ASN 78 N -5.37 1.74 0.21 4.85 3.02 -1.24 -4.66 115.26 113.81 1nnv n ASN 78 Ca 0.13 -1.24 0.15 0.00 -0.03 0.00 0.00 54.58 53.59 1nnv n ASN 78 Cb 0.60 0.02 0.68 0.00 -0.61 0.00 0.00 39.78 40.47 1nnv n ASN 78 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1nnv h GLU 79 N 0.00 0.00 -0.87 3.52 5.08 -1.93 -2.20 114.58 118.17 1nnv h GLU 79 Ca -0.04 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.02 1nnv h GLU 79 Cb 0.15 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.22 1nnv h GLU 79 CO 0.07 0.00 0.37 0.00 -1.00 0.00 0.00 179.01 178.46 1nnv n GLN 80 N -2.59 2.88 -4.19 2.33 10.64 -1.26 -4.93 117.38 120.26 1nnv n GLN 80 Ca 0.00 -2.65 -0.40 0.00 -1.83 0.00 0.00 57.00 52.12 1nnv n GLN 80 Cb 0.17 -2.07 -0.03 0.00 -0.86 0.00 0.00 30.24 27.45 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 -0.42 -1.75 -3.50 2.61 8.00 -0.83 -4.94 116.55 115.73 1nnv n ASP 81 Ca 0.42 -1.29 -0.22 0.00 0.71 0.00 0.00 54.79 54.41 1nnv n ASP 81 Cb 1.37 -1.57 -0.13 0.00 -0.02 0.00 0.00 41.12 40.76 1nnv n ASP 81 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1nnv s GLU 82 N -7.44 0.20 -0.15 -1.24 2.02 -1.26 -4.94 118.70 105.89 1nnv s GLU 82 Ca 0.27 -0.14 -0.29 0.00 0.02 0.00 0.00 54.97 54.83 1nnv s GLU 82 Cb -0.15 -1.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.90 1nnv s GLU 82 CO 0.98 -0.86 1.56 1.41 0.02 0.00 0.00 175.26 178.38 1nnv s MET 83 N 2.24 4.01 -0.17 1.61 -2.45 -1.26 -3.61 119.30 119.67 1nnv s MET 83 Ca 0.07 1.84 0.17 0.00 -1.25 0.00 0.00 55.69 56.52 1nnv s MET 83 Cb -0.15 -3.97 0.49 0.00 1.25 0.00 0.00 34.83 32.45 1nnv s MET 83 CO -0.24 -1.03 1.38 -0.25 1.05 0.00 0.00 175.02 175.93 1nnv n ASP 84 N 7.66 3.65 -3.15 1.11 9.92 -1.26 -4.88 116.55 129.60 1nnv n ASP 84 Ca 0.17 -3.01 0.06 0.00 -0.53 0.00 0.00 54.79 51.47 1nnv n ASP 84 Cb 0.44 -0.52 -0.01 0.00 -0.64 0.00 0.00 41.12 40.39 1nnv n ASP 84 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1nnv s ASP 85 N -2.06 -0.36 0.11 -2.24 1.01 -1.26 -5.09 116.67 106.78 1nnv s ASP 85 Ca 0.40 0.12 -0.17 0.00 0.71 0.00 0.00 52.55 53.61 1nnv s ASP 85 Cb 0.33 1.26 -0.07 0.00 1.01 0.00 0.00 42.92 45.45 1nnv s ASP 85 CO 0.08 -0.07 0.57 0.54 0.21 0.00 0.00 175.17 176.50 1nnv s VAL 86 N 2.96 4.79 -0.07 -1.27 0.11 -1.26 -2.38 120.40 123.28 1nnv s VAL 86 Ca 0.13 1.04 0.05 0.00 -2.93 0.00 0.00 61.98 60.28 1nnv s VAL 86 Cb -0.05 -3.82 -0.24 0.00 -1.53 0.00 0.00 36.38 30.73 1nnv s VAL 86 CO -0.17 0.40 0.58 -0.26 -3.33 0.00 0.00 175.10 172.32 1nnv h PHE 87 N 4.04 0.19 -2.35 1.54 0.04 -1.53 -3.46 116.94 115.42 1nnv h PHE 87 Ca -0.49 -0.14 0.14 0.00 2.80 0.00 0.00 57.97 60.28 1nnv h PHE 87 Cb 1.20 -0.01 -0.11 0.00 2.20 0.00 0.00 35.95 39.24 1nnv h PHE 87 CO 0.67 1.29 0.48 0.00 -0.60 0.00 0.00 178.31 180.14 1nnv s ALA 88 N -2.59 -1.71 0.04 2.45 0.00 -0.99 -2.47 121.76 116.48 1nnv s ALA 88 Ca -0.11 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.36 1nnv s ALA 88 Cb 0.07 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 1nnv s ALA 88 CO 0.81 -0.90 -0.12 0.15 0.00 0.00 0.00 175.76 175.70 1nnv s LYS 89 N -3.24 0.77 -0.07 0.00 1.02 -0.98 -1.05 119.74 116.18 1nnv s LYS 89 Ca 0.09 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.41 1nnv s LYS 89 Cb -0.01 -0.72 0.01 0.00 -0.52 0.00 0.00 37.83 36.58 1nnv s LYS 89 CO -0.03 0.17 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.36 1nnv s PHE 90 N -0.90 1.76 -0.10 3.18 0.40 0.28 -2.00 117.98 120.60 1nnv s PHE 90 Ca -0.01 -0.67 -0.00 0.00 -0.60 0.00 0.00 56.93 55.64 1nnv s PHE 90 Cb -0.08 -1.24 -0.03 0.00 0.51 0.00 0.00 43.02 42.18 1nnv s PHE 90 CO 0.01 -0.31 -0.07 -0.51 0.70 0.00 0.00 175.22 175.04 1nnv s LEU 91 N 0.55 3.10 -0.04 -0.37 1.43 -0.36 0.15 118.68 123.14 1nnv s LEU 91 Ca -0.15 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1nnv s LEU 91 Cb -0.16 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.39 1nnv s LEU 91 CO 0.05 0.28 0.04 0.27 0.23 0.00 0.00 176.35 177.21 1nnv s ILE 92 N -0.30 0.01 0.83 -0.59 -0.00 0.28 -2.09 121.20 119.35 1nnv s ILE 92 Ca 0.04 0.29 -0.14 0.00 -0.00 0.00 0.00 60.65 60.84 1nnv s ILE 92 Cb -0.13 -0.21 0.03 0.00 -0.00 0.00 0.00 42.46 42.16 1nnv s ILE 92 CO 0.02 0.17 0.71 -0.24 -0.00 0.00 0.00 174.94 175.61 1nnv n SER 93 N 4.88 -0.77 -1.84 4.36 2.88 -1.03 0.33 113.62 122.44 1nnv n SER 93 Ca -0.12 0.49 -0.01 0.00 -1.33 0.00 0.00 58.87 57.90 1nnv n SER 93 Cb 0.50 -1.31 0.32 0.00 -0.75 0.00 0.00 64.21 62.97 1nnv n SER 93 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1nnv n HIS 94 N -3.14 2.17 -3.22 0.66 8.25 0.37 -4.72 115.22 115.59 1nnv n HIS 94 Ca 0.10 -1.08 -0.33 0.00 -0.26 0.00 0.00 57.72 56.15 1nnv n HIS 94 Cb 0.51 -0.60 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 1nnv n HIS 94 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1nnv s ARG 95 N -2.94 4.01 -0.01 -0.41 3.00 -1.26 -4.80 118.95 116.54 1nnv s ARG 95 Ca 0.54 0.61 -0.18 0.00 0.00 0.00 0.00 55.73 56.70 1nnv s ARG 95 Cb 0.43 -2.64 -0.10 0.00 0.00 0.00 0.00 34.95 32.64 1nnv s ARG 95 CO 0.13 0.28 0.81 1.49 0.00 0.00 0.00 175.30 178.01 1nnv h GLU 96 N 2.73 -0.61 -6.51 3.54 4.57 -2.02 -3.45 114.58 112.83 1nnv h GLU 96 Ca -0.48 0.04 -0.49 0.00 -1.18 0.00 0.00 59.36 57.26 1nnv h GLU 96 Cb 1.18 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1nnv h GLU 96 CO 0.66 -0.41 -0.17 -1.83 -1.18 0.00 0.00 179.01 176.08 1nnv s GLU 97 N -3.69 3.52 -0.06 1.92 1.03 -1.26 -4.76 118.70 115.40 1nnv s GLU 97 Ca -0.09 -0.24 -0.01 0.00 0.03 0.00 0.00 54.97 54.66 1nnv s GLU 97 Cb 0.01 -2.66 0.00 0.00 -0.80 0.00 0.00 34.13 30.69 1nnv s GLU 97 CO 0.28 0.16 0.02 -0.25 -1.33 0.00 0.00 175.26 174.14 1nnv n ASP 98 N -1.55 -6.51 -4.64 0.83 8.00 -1.26 -4.99 116.55 106.43 1nnv n ASP 98 Ca -0.04 0.81 -0.29 0.00 0.71 0.00 0.00 54.79 55.99 1nnv n ASP 98 Cb 0.55 -2.45 -0.09 0.00 -0.02 0.00 0.00 41.12 39.12 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 -0.75 2.35 -0.00 -1.24 1.04 -1.26 -4.86 118.95 114.21 1nnv s ARG 99 Ca -0.03 -1.00 0.04 0.00 -1.04 0.00 0.00 55.73 53.70 1nnv s ARG 99 Cb 0.00 -2.39 -0.01 0.00 -2.04 0.00 0.00 34.95 30.51 1nnv s ARG 99 CO 0.19 0.50 -0.12 -1.21 -0.04 0.00 0.00 175.30 174.61 1nnv s GLU 100 N -2.50 0.99 0.01 3.89 2.02 -1.26 -5.03 118.70 116.81 1nnv s GLU 100 Ca 0.25 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.77 1nnv s GLU 100 Cb -0.11 -0.96 -0.01 0.00 0.10 0.00 0.00 34.13 33.16 1nnv s GLU 100 CO 0.17 0.26 -0.03 -0.59 0.02 0.00 0.00 175.26 175.09 1nnv s PHE 101 N -0.36 0.28 0.11 1.61 -0.71 -1.26 -2.47 117.98 115.17 1nnv s PHE 101 Ca 0.04 -0.17 0.00 0.00 -1.04 0.00 0.00 56.93 55.77 1nnv s PHE 101 Cb -0.05 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.54 1nnv s PHE 101 CO -0.00 -0.04 -0.02 -3.38 -1.34 0.00 0.00 175.22 170.44 1nnv s HIS 102 N -0.43 0.84 -0.10 3.49 -3.43 -0.89 -4.98 115.29 109.80 1nnv s HIS 102 Ca -0.03 -1.05 -0.14 0.00 -0.80 0.00 0.00 55.06 53.04 1nnv s HIS 102 Cb -0.03 -0.51 0.03 0.00 -1.43 0.00 0.00 32.58 30.64 1nnv s HIS 102 CO -0.00 -0.30 0.37 0.54 -2.00 0.00 0.00 174.74 173.34 1nnv s VAL 103 N -3.80 0.02 -0.09 -5.38 0.11 -1.26 -1.23 120.40 108.77 1nnv s VAL 103 Ca 0.15 -0.14 -0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1nnv s VAL 103 Cb 0.07 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1nnv s VAL 103 CO -0.03 -0.08 -0.06 0.27 -3.33 0.00 0.00 175.10 171.87 1nnv s ILE 104 N -0.30 3.75 0.12 7.04 -0.00 -0.85 -4.94 121.20 126.02 1nnv s ILE 104 Ca -0.04 -0.45 0.09 0.00 -0.00 0.00 0.00 60.65 60.25 1nnv s ILE 104 Cb -0.03 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.46 39.83 1nnv s ILE 104 CO 0.02 0.57 -0.20 0.26 -0.00 0.00 0.00 174.94 175.59 1nnv s TRP 105 N -0.50 2.49 0.72 1.37 0.52 -1.26 -2.31 118.94 119.97 1nnv s TRP 105 Ca 0.07 -0.29 -0.16 0.00 0.02 0.00 0.00 56.10 55.75 1nnv s TRP 105 Cb -0.12 -1.33 0.03 0.00 -1.15 0.00 0.00 33.47 30.90 1nnv s TRP 105 CO 0.02 0.37 1.23 0.21 0.02 0.00 0.00 176.95 178.80 1nnv s LYS 106 N -2.10 2.19 0.00 4.98 2.36 -1.03 -5.02 119.74 121.12 1nnv s LYS 106 Ca 0.17 1.84 0.27 0.00 -2.55 0.00 0.00 55.97 55.70 1nnv s LYS 106 Cb -0.10 -1.83 0.85 0.00 -1.05 0.00 0.00 37.83 35.69 1nnv s LYS 106 CO 0.09 -1.82 1.63 1.63 1.55 0.00 0.00 175.35 178.43