#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 0.95 -2.13 1.12 -1.04 -1.26 -4.98 114.28 106.93 1nnv n THR 2 Ca 0.00 -3.27 -0.41 0.00 -2.04 0.00 0.00 64.05 58.33 1nnv n THR 2 Cb 0.00 0.51 -0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1nnv n THR 2 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1nnv n THR 3 N -0.05 4.94 -2.72 12.58 5.66 -1.26 -4.96 114.28 128.47 1nnv n THR 3 Ca 0.12 -4.39 -0.43 0.00 -3.05 0.00 0.00 64.05 56.30 1nnv n THR 3 Cb 0.80 -2.17 -0.03 0.00 -1.55 0.00 0.00 70.33 67.38 1nnv n THR 3 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1nnv s GLU 4 N -0.67 4.27 -0.13 1.09 -1.05 -1.26 -5.02 118.70 115.93 1nnv s GLU 4 Ca 0.48 1.27 -0.17 0.00 -0.15 0.00 0.00 54.97 56.40 1nnv s GLU 4 Cb 0.15 -3.62 -0.04 0.00 -0.44 0.00 0.00 34.13 30.18 1nnv s GLU 4 CO -0.06 -0.54 0.43 0.42 0.95 0.00 0.00 175.26 176.46 1nnv s ILE 5 N 2.89 5.21 -0.01 1.83 -1.09 -1.26 -4.55 121.20 124.23 1nnv s ILE 5 Ca 0.43 0.86 0.05 0.00 -2.23 0.00 0.00 60.65 59.76 1nnv s ILE 5 Cb -0.16 -3.77 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1nnv s ILE 5 CO 0.08 0.34 -0.17 -0.75 -1.23 0.00 0.00 174.94 173.21 1nnv s LYS 6 N 0.63 1.39 0.71 2.79 2.36 -1.26 -5.04 119.74 121.32 1nnv s LYS 6 Ca 0.24 -0.61 -0.03 0.00 -2.55 0.00 0.00 55.97 53.01 1nnv s LYS 6 Cb -0.15 -1.34 0.10 0.00 -1.05 0.00 0.00 37.83 35.39 1nnv s LYS 6 CO 0.09 0.37 0.99 0.15 1.55 0.00 0.00 175.35 178.49 1nnv s LYS 7 N -0.39 1.85 0.11 4.03 -0.14 -1.26 -3.76 119.74 120.17 1nnv s LYS 7 Ca 0.06 -0.80 0.08 0.00 -1.36 0.00 0.00 55.97 53.96 1nnv s LYS 7 Cb -0.07 -2.28 -0.04 0.00 -1.68 0.00 0.00 37.83 33.77 1nnv s LYS 7 CO -0.01 -1.36 -0.19 -0.51 -0.76 0.00 0.00 175.35 172.52 1nnv s LEU 8 N -5.17 2.32 0.37 3.17 1.43 -1.26 -5.02 118.68 114.52 1nnv s LEU 8 Ca 0.64 -0.71 -0.23 0.00 -1.03 0.00 0.00 54.13 52.80 1nnv s LEU 8 Cb -0.07 -0.82 -0.10 0.00 0.03 0.00 0.00 46.19 45.23 1nnv s LEU 8 CO 0.44 0.02 0.93 -1.81 0.23 0.00 0.00 176.35 176.16 1nnv s ASP 9 N -2.01 7.13 0.14 2.29 1.11 -1.26 -4.89 116.67 119.18 1nnv s ASP 9 Ca 0.07 1.73 -0.25 0.00 0.18 0.00 0.00 52.55 54.28 1nnv s ASP 9 Cb -0.09 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.34 1nnv s ASP 9 CO 0.04 -0.20 1.62 -0.65 1.18 0.00 0.00 175.17 177.16 1nnv h PRO 10 N 2.58 -0.34 -0.00 8.23 0.11 -2.00 0.22 132.00 140.79 1nnv h PRO 10 Ca -0.48 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1nnv h PRO 10 Cb 1.19 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1nnv h PRO 10 CO 0.63 -0.22 -0.36 -0.44 -0.21 0.00 0.00 178.00 177.40 1nnv h ASP 11 N -0.35 0.01 0.10 -2.05 5.19 -1.98 -1.04 116.42 116.30 1nnv h ASP 11 Ca 0.10 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 1nnv h ASP 11 Cb 0.51 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1nnv h ASP 11 CO -0.34 0.37 -0.05 0.74 -3.12 0.00 0.00 179.24 176.84 1nnv h THR 12 N 0.01 1.10 0.22 0.35 2.02 -1.65 -2.57 112.91 112.39 1nnv h THR 12 Ca -0.00 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1nnv h THR 12 Cb 0.64 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1nnv h THR 12 CO 0.05 0.21 -0.11 0.00 0.37 0.00 0.00 175.52 176.04 1nnv h ALA 13 N 0.26 -0.30 -1.17 6.16 0.00 -0.56 -2.69 119.26 120.97 1nnv h ALA 13 Ca -0.01 -0.16 0.33 0.00 0.00 0.00 0.00 54.91 55.06 1nnv h ALA 13 Cb 0.45 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1nnv h ALA 13 CO 0.02 -0.53 0.79 0.82 0.00 0.00 0.00 179.25 180.35 1nnv h ILE 14 N -0.57 0.40 -0.22 0.00 2.04 -1.28 0.85 117.51 118.73 1nnv h ILE 14 Ca -0.03 -0.06 -0.16 0.00 1.00 0.00 0.00 64.86 65.60 1nnv h ILE 14 Cb 0.42 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1nnv h ILE 14 CO 0.05 0.03 -0.53 -0.78 0.00 0.00 0.00 178.15 176.92 1nnv h ASP 15 N 0.19 0.70 0.66 1.72 3.58 -1.21 -2.56 116.42 119.50 1nnv h ASP 15 Ca 0.63 -0.37 -0.03 0.00 0.42 0.00 0.00 57.03 57.68 1nnv h ASP 15 Cb 2.02 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 42.88 1nnv h ASP 15 CO -0.20 1.10 -0.32 0.40 -2.88 0.00 0.00 179.24 177.34 1nnv h ILE 16 N 0.49 0.00 -0.96 2.25 1.08 0.10 -2.60 117.51 117.88 1nnv h ILE 16 Ca 0.01 -0.06 0.16 0.00 -0.39 0.00 0.00 64.86 64.58 1nnv h ILE 16 Cb 1.08 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.74 1nnv h ILE 16 CO 0.10 0.00 0.56 0.00 -0.69 0.00 0.00 178.15 178.13 1nnv h ALA 17 N -1.53 1.52 0.18 1.87 0.00 -1.51 -1.47 119.26 118.32 1nnv h ALA 17 Ca -0.09 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nnv h ALA 17 Cb 0.68 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1nnv h ALA 17 CO 0.15 -0.01 -0.40 -0.92 0.00 0.00 0.00 179.25 178.06 1nnv h TYR 18 N 0.76 -1.12 0.00 0.00 3.20 -1.39 0.16 116.97 118.58 1nnv h TYR 18 Ca 0.53 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.41 1nnv h TYR 18 Cb 0.75 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 39.48 1nnv h TYR 18 CO -0.03 -0.51 -0.06 0.38 -1.64 0.00 0.00 178.16 176.29 1nnv h ASP 19 N -0.68 0.00 1.07 -2.11 3.04 -1.01 -0.77 116.42 115.97 1nnv h ASP 19 Ca 0.01 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.73 1nnv h ASP 19 Cb 0.68 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.96 1nnv h ASP 19 CO -0.20 0.06 -0.36 0.40 -2.04 0.00 0.00 179.24 177.10 1nnv h ILE 20 N 0.00 0.77 0.05 4.15 2.04 -0.18 -2.57 117.51 121.76 1nnv h ILE 20 Ca -0.00 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 1nnv h ILE 20 Cb 0.12 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1nnv h ILE 20 CO 0.01 0.35 -0.02 0.15 0.00 0.00 0.00 178.15 178.64 1nnv h PHE 21 N 0.00 -0.06 0.00 1.37 3.57 0.76 0.13 116.94 122.71 1nnv h PHE 21 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1nnv h PHE 21 Cb 1.00 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1nnv h PHE 21 CO 0.00 0.58 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.57 1nnv h LEU 22 N -0.82 0.00 0.02 0.59 4.07 -1.52 0.12 115.31 117.77 1nnv h LEU 22 Ca -0.01 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.57 1nnv h LEU 22 Cb 0.66 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.35 1nnv h LEU 22 CO 0.01 0.02 -2.15 1.21 -1.08 0.00 0.00 178.44 176.45 1nnv n GLU 23 N -3.17 0.62 0.12 1.13 2.13 -0.97 -4.62 120.64 115.88 1nnv n GLU 23 Ca -0.01 0.32 -0.24 0.00 0.66 0.00 0.00 57.16 57.89 1nnv n GLU 23 Cb 0.21 -1.59 -0.16 0.00 0.27 0.00 0.00 31.44 30.18 1nnv n GLU 23 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1nnv h MET 24 N -0.68 0.48 -6.69 5.31 4.05 -0.74 -3.47 114.93 113.20 1nnv h MET 24 Ca -0.56 -0.83 -0.57 0.00 -0.28 0.00 0.00 59.70 57.46 1nnv h MET 24 Cb 1.64 0.31 0.17 0.00 -0.80 0.00 0.00 31.60 32.92 1nnv h MET 24 CO -0.25 1.40 -0.14 0.00 0.23 0.00 0.00 176.91 178.15 1nnv n ALA 25 N -2.71 -0.54 -0.13 0.39 0.00 0.43 -4.25 120.51 113.70 1nnv n ALA 25 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1nnv n ALA 25 Cb 1.04 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.52 0.93 0.00 0.00 0.00 -1.26 -4.92 105.19 101.46 1nnv n GLY 26 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.03 0.00 -0.02 1.61 0.28 -1.26 -4.98 120.64 116.23 1nnv n GLU 27 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1nnv n GLU 27 Cb 0.03 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.87 1nnv n GLU 27 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1nnv n ASN 28 N -0.19 3.77 -4.74 -1.84 5.15 -1.26 -5.01 115.26 111.14 1nnv n ASN 28 Ca 0.00 -0.02 -0.41 0.00 -0.60 0.00 0.00 54.58 53.55 1nnv n ASN 28 Cb 0.00 0.23 -0.03 0.00 -0.53 0.00 0.00 39.78 39.46 1nnv n ASN 28 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1nnv s LEU 29 N -4.84 4.40 0.50 1.20 0.20 -1.26 -4.94 118.68 113.95 1nnv s LEU 29 Ca -0.05 2.48 -0.22 0.00 0.69 0.00 0.00 54.13 57.04 1nnv s LEU 29 Cb 0.02 -3.61 -0.08 0.00 -0.43 0.00 0.00 46.19 42.08 1nnv s LEU 29 CO 0.14 -0.60 1.00 0.47 -0.29 0.00 0.00 176.35 177.07 1nnv n ASP 30 N 2.72 1.12 -0.17 3.68 9.92 -1.25 -4.76 116.55 127.82 1nnv n ASP 30 Ca 0.07 0.94 -0.05 0.00 -0.53 0.00 0.00 54.79 55.22 1nnv n ASP 30 Cb 0.42 -1.38 0.02 0.00 -0.64 0.00 0.00 41.12 39.54 1nnv n ASP 30 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1nnv h PRO 31 N 1.12 -0.14 -0.14 -0.24 0.11 -1.95 -1.59 132.00 129.17 1nnv h PRO 31 Ca -0.47 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.70 1nnv h PRO 31 Cb 1.35 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.43 1nnv h PRO 31 CO 0.54 -0.09 -0.24 0.00 -0.21 0.00 0.00 178.00 178.00 1nnv h ALA 32 N 1.12 -0.21 -0.64 -0.75 0.00 -2.00 0.06 119.26 116.84 1nnv h ALA 32 Ca 0.23 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.33 1nnv h ALA 32 Cb 0.51 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1nnv h ALA 32 CO -0.60 -0.70 0.45 -0.44 0.00 0.00 0.00 179.25 177.96 1nnv h ASP 33 N -0.30 0.19 -0.17 0.00 3.32 -1.73 -0.42 116.42 117.31 1nnv h ASP 33 Ca 0.10 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1nnv h ASP 33 Cb 0.45 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1nnv h ASP 33 CO -0.31 0.10 0.06 0.40 -1.72 0.00 0.00 179.24 177.76 1nnv h ILE 34 N 0.20 1.17 -0.12 0.35 2.04 -0.07 0.83 117.51 121.92 1nnv h ILE 34 Ca 0.31 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1nnv h ILE 34 Cb 0.95 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 38.17 1nnv h ILE 34 CO -0.06 0.17 -0.44 0.25 0.00 0.00 0.00 178.15 178.08 1nnv h LEU 35 N 0.11 -1.36 0.66 1.44 5.85 -0.49 0.38 115.31 121.90 1nnv h LEU 35 Ca 0.06 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1nnv h LEU 35 Cb 0.21 0.55 0.01 0.00 0.37 0.00 0.00 40.66 41.79 1nnv h LEU 35 CO -0.00 -0.44 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.27 1nnv h LEU 36 N -0.51 -0.75 -2.00 2.25 4.07 -1.45 -1.94 115.31 114.98 1nnv h LEU 36 Ca 0.07 0.03 0.50 0.00 0.08 0.00 0.00 57.88 58.56 1nnv h LEU 36 Cb 0.64 0.19 -0.07 0.00 1.08 0.00 0.00 40.66 42.50 1nnv h LEU 36 CO -0.39 -0.47 1.25 0.15 -1.08 0.00 0.00 178.44 177.90 1nnv h PHE 37 N -1.01 0.00 0.00 1.13 3.04 -0.74 2.12 116.94 121.48 1nnv h PHE 37 Ca -0.09 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.86 1nnv h PHE 37 Cb 0.68 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1nnv h PHE 37 CO 0.04 -0.00 0.00 0.09 -2.02 0.00 0.00 178.31 176.42 1nnv n ASN 38 N -4.01 0.00 0.17 0.41 4.13 0.11 -3.88 115.26 112.19 1nnv n ASN 38 Ca 0.39 0.25 0.01 0.00 1.68 0.00 0.00 54.58 56.91 1nnv n ASN 38 Cb 1.78 -0.28 0.29 0.00 -1.54 0.00 0.00 39.78 40.04 1nnv n ASN 38 CO 0.00 0.00 0.00 0.17 0.28 0.00 0.00 177.26 177.71 1nnv h LEU 39 N 0.00 0.00 -2.78 3.41 8.10 -1.08 -2.99 115.31 119.97 1nnv h LEU 39 Ca 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.84 1nnv h LEU 39 Cb 0.00 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.13 1nnv h LEU 39 CO 0.00 0.46 0.19 1.67 -4.11 0.00 0.00 178.44 176.65 1nnv n GLN 40 N -3.97 2.38 -0.12 0.17 -0.06 0.71 -4.13 117.38 112.38 1nnv n GLN 40 Ca -0.02 -1.70 -0.23 0.00 -2.00 0.00 0.00 57.00 53.06 1nnv n GLN 40 Cb 0.48 -1.78 -0.09 0.00 -4.06 0.00 0.00 30.24 24.79 1nnv n GLN 40 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1nnv n PHE 41 N -0.05 0.00 -0.29 3.69 7.35 -1.13 -3.10 117.46 123.93 1nnv n PHE 41 Ca 0.25 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.96 1nnv n PHE 41 Cb 0.97 -0.86 0.15 0.00 0.35 0.00 0.00 39.48 40.10 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 -0.65 0.79 0.18 -4.13 4.81 -1.75 0.14 114.58 113.96 1nnv h GLU 42 Ca -0.58 -0.05 -0.34 0.00 -0.13 0.00 0.00 59.36 58.26 1nnv h GLU 42 Cb 1.59 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.80 1nnv h GLU 42 CO -0.30 0.52 -1.70 1.49 -0.73 0.00 0.00 179.01 178.29 1nnv h GLU 43 N 0.81 0.37 -2.73 1.92 4.22 -1.80 -3.41 114.58 113.96 1nnv h GLU 43 Ca 0.38 -0.63 -0.60 0.00 0.08 0.00 0.00 59.36 58.58 1nnv h GLU 43 Cb 0.30 0.24 -0.40 0.00 0.50 0.00 0.00 28.75 29.39 1nnv h GLU 43 CO -0.23 1.28 -0.78 1.03 -2.18 0.00 0.00 179.01 178.13 1nnv s ARG 44 N -2.59 1.62 -0.22 1.92 1.81 -1.04 -5.06 118.95 115.39 1nnv s ARG 44 Ca -0.14 -2.65 -0.02 0.00 -1.72 0.00 0.00 55.73 51.20 1nnv s ARG 44 Cb 0.06 -2.37 0.07 0.00 -0.45 0.00 0.00 34.95 32.26 1nnv s ARG 44 CO 0.86 -1.33 0.05 0.20 -0.68 0.00 0.00 175.30 174.40 1nnv s GLY 45 N -0.59 0.77 -0.01 -3.53 0.00 0.47 -4.03 107.32 100.39 1nnv s GLY 45 Ca 0.28 -0.92 -0.05 0.00 0.00 0.00 0.00 44.72 44.02 1nnv s GLY 45 CO -0.17 1.50 0.11 -0.32 0.00 0.00 0.00 173.10 174.22 1nnv s GLY 46 N 1.82 0.02 -0.19 0.20 0.00 -1.17 -5.01 107.32 102.99 1nnv s GLY 46 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 44.72 44.69 1nnv s GLY 46 CO -0.13 -0.13 0.01 0.14 0.00 0.00 0.00 173.10 172.99 1nnv s VAL 47 N -0.91 0.73 0.17 1.40 1.01 -1.26 -2.79 120.40 118.74 1nnv s VAL 47 Ca -0.10 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1nnv s VAL 47 Cb -0.06 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 1nnv s VAL 47 CO 0.01 -0.15 0.42 -1.83 0.00 0.00 0.00 175.10 173.56 1nnv s GLU 48 N 1.77 3.65 -0.43 2.72 -1.05 -0.99 -4.92 118.70 119.46 1nnv s GLU 48 Ca -0.01 -0.02 -0.12 0.00 -0.15 0.00 0.00 54.97 54.66 1nnv s GLU 48 Cb -0.17 -2.79 0.06 0.00 -0.44 0.00 0.00 34.13 30.79 1nnv s GLU 48 CO -0.07 0.42 0.31 0.12 0.95 0.00 0.00 175.26 176.98 1nnv s PHE 49 N -1.73 3.28 0.50 4.83 5.36 -1.26 -2.01 117.98 126.95 1nnv s PHE 49 Ca 0.42 -1.12 0.06 0.00 -0.96 0.00 0.00 56.93 55.33 1nnv s PHE 49 Cb -0.12 -2.92 0.06 0.00 -0.34 0.00 0.00 43.02 39.71 1nnv s PHE 49 CO 0.24 -0.77 0.50 1.33 -1.46 0.00 0.00 175.22 175.07 1nnv n VAL 50 N 5.06 0.00 -3.85 3.12 0.24 0.11 -5.00 118.33 118.01 1nnv n VAL 50 Ca -0.11 -1.84 -0.24 0.00 -2.04 0.00 0.00 64.34 60.11 1nnv n VAL 50 Cb 0.44 -0.28 -0.04 0.00 -1.47 0.00 0.00 33.84 32.49 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 -4.13 2.35 0.96 7.34 2.02 -1.26 -2.27 118.70 123.72 1nnv s GLU 51 Ca 0.38 -1.78 -0.11 0.00 0.02 0.00 0.00 54.97 53.48 1nnv s GLU 51 Cb -0.03 -2.16 0.17 0.00 0.10 0.00 0.00 34.13 32.21 1nnv s GLU 51 CO 0.24 -0.29 1.09 0.99 0.02 0.00 0.00 175.26 177.31 1nnv s THR 52 N -2.60 2.39 0.22 3.63 2.01 -1.25 -4.63 115.64 115.41 1nnv s THR 52 Ca 0.41 0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.60 1nnv s THR 52 Cb -0.01 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 1nnv s THR 52 CO 0.24 -0.16 -0.08 0.00 -0.69 0.00 0.00 174.62 173.92 1nnv s ALA 53 N -2.75 1.97 -0.55 7.40 0.00 -1.26 -4.86 121.76 121.71 1nnv s ALA 53 Ca 0.65 -1.72 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 1nnv s ALA 53 Cb -0.21 0.13 0.48 0.00 0.00 0.00 0.00 23.12 23.52 1nnv s ALA 53 CO 0.59 -0.06 1.98 -0.40 0.00 0.00 0.00 175.76 177.86 1nnv n ASP 54 N -0.41 6.32 -1.59 0.00 5.75 -1.26 -4.12 116.55 121.23 1nnv n ASP 54 Ca -0.07 -3.62 -0.04 0.00 -0.01 0.00 0.00 54.79 51.05 1nnv n ASP 54 Cb 0.62 -0.94 -0.00 0.00 -1.03 0.00 0.00 41.12 39.77 1nnv n ASP 54 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1nnv n ASP 55 N -0.82 -0.81 0.21 -1.12 9.92 -1.26 -4.93 116.55 117.73 1nnv n ASP 55 Ca 0.57 -2.06 0.11 0.00 -0.53 0.00 0.00 54.79 52.88 1nnv n ASP 55 Cb 0.95 0.31 0.15 0.00 -0.64 0.00 0.00 41.12 41.89 1nnv n ASP 55 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 1nnv h TRP 56 N 0.49 0.00 0.00 1.24 -0.00 -1.91 -3.39 115.95 112.38 1nnv h TRP 56 Ca -0.48 0.00 -0.40 0.00 -0.00 0.00 0.00 58.89 58.01 1nnv h TRP 56 Cb 1.42 0.00 0.02 0.00 -0.00 0.00 0.00 29.16 30.60 1nnv h TRP 56 CO -0.09 0.06 2.53 0.39 -0.00 0.00 0.00 178.44 181.33 1nnv n GLU 57 N -3.10 1.96 0.00 0.49 1.02 -1.26 -2.94 120.64 116.81 1nnv n GLU 57 Ca 0.04 -1.47 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 1nnv n GLU 57 Cb 0.55 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 1nnv n GLU 57 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nnv n GLU 58 N 4.53 0.00 -0.04 3.49 1.02 -1.26 -4.85 120.64 123.53 1nnv n GLU 58 Ca 0.44 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.56 1nnv n GLU 58 Cb 0.16 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.57 1nnv n GLU 58 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1nnv h GLU 59 N 0.00 0.00 0.00 3.49 9.09 -1.82 -3.39 114.58 121.95 1nnv h GLU 59 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.29 1nnv h GLU 59 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 1nnv h GLU 59 CO 0.00 0.00 -0.57 -0.84 0.05 0.00 0.00 179.01 177.65 1nnv h ILE 60 N -0.60 1.17 -4.06 -1.06 3.07 -1.96 -3.49 117.51 110.59 1nnv h ILE 60 Ca 0.00 -2.13 0.00 0.00 1.55 0.00 0.00 64.86 64.28 1nnv h ILE 60 Cb 0.14 2.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 1nnv h ILE 60 CO 0.00 0.56 -0.21 0.61 -1.05 0.00 0.00 178.15 178.05 1nnv n GLY 61 N 0.61 -0.96 0.00 0.16 0.00 -1.25 -5.09 105.19 98.66 1nnv n GLY 61 Ca -0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.48 0.00 -1.75 1.61 3.14 -1.26 -4.99 118.33 114.59 1nnv n VAL 62 Ca 0.05 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.01 1nnv n VAL 62 Cb 0.24 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.01 1nnv n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nnv n LEU 63 N 0.00 4.40 -3.69 6.55 -0.00 -1.26 -4.30 117.00 118.69 1nnv n LEU 63 Ca 0.00 1.19 -0.30 0.00 -0.00 0.00 0.00 56.01 56.91 1nnv n LEU 63 Cb 0.00 -1.58 -0.15 0.00 -0.00 0.00 0.00 43.42 41.69 1nnv n LEU 63 CO 0.00 0.04 -0.33 -0.63 -0.00 0.00 0.00 177.39 176.47 1nnv s ILE 64 N -0.69 0.67 -0.29 1.47 -1.09 -1.26 -5.06 121.20 114.95 1nnv s ILE 64 Ca 0.58 -1.24 -0.28 0.00 -2.23 0.00 0.00 60.65 57.48 1nnv s ILE 64 Cb -0.50 -1.50 -0.06 0.00 -1.58 0.00 0.00 42.46 38.81 1nnv s ILE 64 CO 0.58 -0.67 2.26 0.47 -1.23 0.00 0.00 174.94 176.35 1nnv n ASP 65 N 4.94 2.93 -4.65 3.58 9.92 -1.26 -4.88 116.55 127.13 1nnv n ASP 65 Ca -0.03 0.09 -0.32 0.00 -0.53 0.00 0.00 54.79 54.00 1nnv n ASP 65 Cb 0.42 -1.52 0.15 0.00 -0.64 0.00 0.00 41.12 39.53 1nnv n ASP 65 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1nnv n PRO 66 N 8.75 -0.27 0.00 -0.24 -0.04 -1.26 -2.87 135.00 139.08 1nnv n PRO 66 Ca 0.33 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1nnv n PRO 66 Cb 0.44 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1nnv n PRO 66 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nnv n GLU 67 N -3.68 0.00 -0.09 0.54 1.02 -1.26 -4.74 120.64 112.42 1nnv n GLU 67 Ca 0.12 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.32 1nnv n GLU 67 Cb 0.52 -1.97 0.11 0.00 -0.02 0.00 0.00 31.44 30.08 1nnv n GLU 67 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1nnv n GLU 68 N -1.99 2.08 -3.88 3.49 0.28 -1.14 -4.99 120.64 114.50 1nnv n GLU 68 Ca 0.00 -2.24 -0.15 0.00 -0.16 0.00 0.00 57.16 54.61 1nnv n GLU 68 Cb 0.00 -1.37 -0.16 0.00 1.43 0.00 0.00 31.44 31.35 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 -2.17 0.17 -0.39 -1.84 2.02 -1.26 -2.18 117.35 111.69 1nnv s TYR 69 Ca 0.22 0.04 -0.21 0.00 -0.37 0.00 0.00 57.07 56.76 1nnv s TYR 69 Cb 0.19 -0.28 0.01 0.00 -0.40 0.00 0.00 41.96 41.49 1nnv s TYR 69 CO 0.03 -0.09 0.66 0.00 -1.57 0.00 0.00 175.55 174.59 1nnv s ALA 70 N 0.79 3.40 -0.13 3.71 0.00 -0.12 -3.79 121.76 125.62 1nnv s ALA 70 Ca -0.07 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.71 1nnv s ALA 70 Cb -0.10 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1nnv s ALA 70 CO -0.02 -1.57 0.56 -2.00 0.00 0.00 0.00 175.76 172.74 1nnv s GLU 71 N 2.83 4.33 -0.03 0.00 2.56 -0.96 -2.34 118.70 125.08 1nnv s GLU 71 Ca 0.25 0.58 0.04 0.00 0.00 0.00 0.00 54.97 55.83 1nnv s GLU 71 Cb -0.14 -3.47 -0.00 0.00 2.00 0.00 0.00 34.13 32.51 1nnv s GLU 71 CO 0.17 0.04 -0.15 0.08 -0.56 0.00 0.00 175.26 174.84 1nnv s VAL 72 N 0.98 1.25 -0.03 3.70 1.01 0.44 0.09 120.40 127.84 1nnv s VAL 72 Ca 0.29 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1nnv s VAL 72 Cb -0.16 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1nnv s VAL 72 CO 0.12 0.36 -0.24 0.26 0.00 0.00 0.00 175.10 175.60 1nnv s TRP 73 N 0.02 2.38 -0.21 5.22 0.52 -0.85 0.12 118.94 126.14 1nnv s TRP 73 Ca -0.02 -0.41 -0.01 0.00 0.02 0.00 0.00 56.10 55.68 1nnv s TRP 73 Cb -0.10 -1.52 0.06 0.00 -1.15 0.00 0.00 33.47 30.76 1nnv s TRP 73 CO 0.01 -0.01 -0.02 0.08 0.02 0.00 0.00 176.95 177.03 1nnv s VAL 74 N -0.61 1.11 0.00 4.03 1.01 0.24 -2.34 120.40 123.83 1nnv s VAL 74 Ca 0.10 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1nnv s VAL 74 Cb -0.10 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1nnv s VAL 74 CO -0.01 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1nnv n GLY 75 N 4.83 4.63 2.56 4.51 0.00 -1.12 -0.50 105.19 120.11 1nnv n GLY 75 Ca -0.11 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 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 5.10 -4.03 0.99 7.99 -0.99 -3.05 117.00 123.02 1nnv n LEU 76 Ca 0.00 -5.19 -0.31 0.00 -0.01 0.00 0.00 56.01 50.50 1nnv n LEU 76 Cb 0.00 -0.55 0.07 0.00 -0.11 0.00 0.00 43.42 42.82 1nnv n LEU 76 CO 0.00 2.18 -1.41 1.33 -1.51 0.00 0.00 177.39 177.98 1nnv n VAL 77 N -0.48 0.00 -3.59 4.08 0.24 -1.26 -4.75 118.33 112.57 1nnv n VAL 77 Ca 0.41 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.64 1nnv n VAL 77 Cb 0.59 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 1nnv n VAL 77 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1nnv n ASN 78 N 2.02 1.91 0.26 -1.34 3.02 -1.26 -4.87 115.26 114.99 1nnv n ASN 78 Ca -0.01 -0.59 0.09 0.00 -0.03 0.00 0.00 54.58 54.04 1nnv n ASN 78 Cb 0.61 0.00 0.66 0.00 -0.61 0.00 0.00 39.78 40.44 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 -0.00 3.52 5.08 -2.03 -1.58 114.58 119.57 1nnv h GLU 79 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1nnv h GLU 79 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1nnv h GLU 79 CO 0.00 0.08 -0.81 -0.56 -1.00 0.00 0.00 179.01 176.72 1nnv h GLN 80 N 0.00 0.07 -0.60 2.33 3.07 -2.03 -3.47 115.11 114.48 1nnv h GLN 80 Ca -0.00 -0.08 -0.10 0.00 0.09 0.00 0.00 58.65 58.56 1nnv h GLN 80 Cb 0.16 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.73 1nnv h GLN 80 CO 0.01 0.84 -0.12 -3.47 0.09 0.00 0.00 178.83 176.18 1nnv n ASP 81 N -3.63 -2.49 -1.70 0.06 -0.08 -0.60 -4.93 116.55 103.19 1nnv n ASP 81 Ca -0.02 0.02 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1nnv n ASP 81 Cb 0.77 -1.55 0.27 0.00 2.34 0.00 0.00 41.12 42.95 1nnv n ASP 81 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1nnv n GLU 82 N -1.79 3.47 -1.73 -0.67 -0.58 -1.26 -4.93 120.64 113.15 1nnv n GLU 82 Ca -0.06 -2.43 0.00 0.00 -0.42 0.00 0.00 57.16 54.26 1nnv n GLU 82 Cb 0.46 -2.05 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 1nnv n GLU 82 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1nnv n MET 83 N 0.13 -0.35 0.09 3.49 1.56 -1.26 -4.86 117.12 115.91 1nnv n MET 83 Ca 0.29 0.49 -0.03 0.00 -0.27 0.00 0.00 57.70 58.17 1nnv n MET 83 Cb 1.11 -0.46 -0.07 0.00 2.15 0.00 0.00 33.22 35.96 1nnv n MET 83 CO 0.00 0.00 0.00 0.38 -0.73 0.00 0.00 175.97 175.62 1nnv h ASP 84 N 2.84 0.00 -3.09 6.12 2.03 -1.93 -3.45 116.42 118.95 1nnv h ASP 84 Ca 0.00 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.10 1nnv h ASP 84 Cb 0.29 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 38.48 1nnv h ASP 84 CO 0.00 0.80 -0.50 1.51 -1.03 0.00 0.00 179.24 180.02 1nnv s ASP 85 N -6.56 0.03 -0.20 4.15 1.47 -1.26 -5.08 116.67 109.22 1nnv s ASP 85 Ca 0.02 0.58 -0.05 0.00 1.18 0.00 0.00 52.55 54.28 1nnv s ASP 85 Cb 0.09 0.58 -0.02 0.00 -0.34 0.00 0.00 42.92 43.23 1nnv s ASP 85 CO 0.79 -0.20 0.00 0.54 0.68 0.00 0.00 175.17 176.98 1nnv s VAL 86 N 1.86 3.98 -0.10 2.11 0.11 -1.26 -2.34 120.40 124.76 1nnv s VAL 86 Ca -0.04 -0.31 0.15 0.00 -2.93 0.00 0.00 61.98 58.86 1nnv s VAL 86 Cb -0.11 -2.80 -0.15 0.00 -1.53 0.00 0.00 36.38 31.79 1nnv s VAL 86 CO -0.09 0.43 0.84 -0.26 -3.33 0.00 0.00 175.10 172.69 1nnv h PHE 87 N 7.49 0.00 -2.10 1.54 0.04 -1.15 -3.43 116.94 119.34 1nnv h PHE 87 Ca -0.36 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.38 1nnv h PHE 87 Cb 1.18 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 39.14 1nnv h PHE 87 CO 0.59 0.68 0.25 0.00 -0.60 0.00 0.00 178.31 179.22 1nnv s ALA 88 N -2.85 -1.77 -0.00 2.45 0.00 -1.01 -2.58 121.76 116.00 1nnv s ALA 88 Ca -0.03 1.22 0.03 0.00 0.00 0.00 0.00 51.96 53.19 1nnv s ALA 88 Cb 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1nnv s ALA 88 CO 0.81 -0.43 -0.10 0.15 0.00 0.00 0.00 175.76 176.19 1nnv s LYS 89 N -1.61 0.77 0.10 0.00 1.02 -1.04 -0.60 119.74 118.39 1nnv s LYS 89 Ca -0.08 -0.40 0.10 0.00 0.02 0.00 0.00 55.97 55.62 1nnv s LYS 89 Cb -0.00 -0.74 -0.04 0.00 -0.52 0.00 0.00 37.83 36.53 1nnv s LYS 89 CO 0.05 0.20 -0.26 -0.06 -0.92 0.00 0.00 175.35 174.36 1nnv s PHE 90 N -0.34 2.22 -0.11 3.18 0.40 0.31 -2.28 117.98 121.35 1nnv s PHE 90 Ca 0.03 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1nnv s PHE 90 Cb -0.04 -1.24 0.03 0.00 0.51 0.00 0.00 43.02 42.28 1nnv s PHE 90 CO -0.00 0.26 -0.02 -0.51 0.70 0.00 0.00 175.22 175.64 1nnv s LEU 91 N -1.80 0.99 -0.01 -0.37 1.43 -0.76 -0.42 118.68 117.74 1nnv s LEU 91 Ca 0.12 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1nnv s LEU 91 Cb -0.10 -0.64 -0.02 0.00 0.03 0.00 0.00 46.19 45.46 1nnv s LEU 91 CO 0.05 -0.19 -0.20 0.27 0.23 0.00 0.00 176.35 176.51 1nnv s ILE 92 N 1.83 1.54 -0.05 -0.59 -0.00 -0.99 -1.95 121.20 121.00 1nnv s ILE 92 Ca 0.04 -0.85 -0.30 0.00 -0.00 0.00 0.00 60.65 59.54 1nnv s ILE 92 Cb -0.13 -1.29 -0.05 0.00 -0.00 0.00 0.00 42.46 40.99 1nnv s ILE 92 CO -0.07 0.42 1.50 -0.94 -0.00 0.00 0.00 174.94 175.85 1nnv s SER 93 N -0.50 6.77 0.35 4.36 1.04 -1.03 -0.94 113.70 123.76 1nnv s SER 93 Ca 0.07 2.12 0.08 0.00 0.48 0.00 0.00 55.95 58.71 1nnv s SER 93 Cb -0.08 -2.55 0.66 0.00 0.10 0.00 0.00 66.02 64.16 1nnv s SER 93 CO -0.01 -0.83 1.84 0.45 0.98 0.00 0.00 173.24 175.67 1nnv h HIS 94 N 8.64 0.26 -2.57 5.02 3.86 -1.70 -3.45 115.15 125.22 1nnv h HIS 94 Ca -0.37 -0.04 -0.33 0.00 -1.16 0.00 0.00 60.37 58.47 1nnv h HIS 94 Cb 1.17 -0.07 0.19 0.00 1.06 0.00 0.00 27.41 29.75 1nnv h HIS 94 CO 0.82 0.46 -0.27 2.89 0.86 0.00 0.00 177.93 182.70 1nnv n ARG 95 N -4.18 -3.45 -0.11 2.45 1.85 -1.25 -4.37 116.66 107.60 1nnv n ARG 95 Ca -0.01 -1.02 -0.24 0.00 -1.00 0.00 0.00 57.85 55.59 1nnv n ARG 95 Cb 0.34 -1.78 -0.08 0.00 -1.05 0.00 0.00 32.46 29.90 1nnv n ARG 95 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1nnv n GLU 96 N -4.02 0.48 -2.39 2.89 2.13 -1.26 -4.90 120.64 113.57 1nnv n GLU 96 Ca 0.08 0.21 -0.43 0.00 0.66 0.00 0.00 57.16 57.69 1nnv n GLU 96 Cb 0.51 -1.30 -0.02 0.00 0.27 0.00 0.00 31.44 30.89 1nnv n GLU 96 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1nnv s GLU 97 N -2.43 4.28 0.05 5.31 2.02 -1.26 -4.50 118.70 122.16 1nnv s GLU 97 Ca -0.31 1.73 0.00 0.00 0.02 0.00 0.00 54.97 56.41 1nnv s GLU 97 Cb 0.12 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.67 1nnv s GLU 97 CO 0.40 -0.61 0.00 -0.25 0.02 0.00 0.00 175.26 174.82 1nnv n ASP 98 N 6.00 -8.04 -4.08 -0.19 8.00 -1.26 -5.00 116.55 111.98 1nnv n ASP 98 Ca 0.13 1.42 -0.32 0.00 0.71 0.00 0.00 54.79 56.73 1nnv n ASP 98 Cb 0.45 -4.39 -0.16 0.00 -0.02 0.00 0.00 41.12 37.00 1nnv n ASP 98 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1nnv s ARG 99 N -0.93 2.51 -0.16 -1.24 3.52 -1.26 -4.88 118.95 116.51 1nnv s ARG 99 Ca 0.00 -1.05 -0.08 0.00 -0.13 0.00 0.00 55.73 54.47 1nnv s ARG 99 Cb 0.00 -2.68 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 1nnv s ARG 99 CO 0.00 -0.40 0.12 -2.00 -0.81 0.00 0.00 175.30 172.22 1nnv s GLU 100 N 1.23 3.78 -0.01 5.12 2.56 -1.26 -4.92 118.70 125.20 1nnv s GLU 100 Ca -0.02 -0.20 0.05 0.00 0.00 0.00 0.00 54.97 54.81 1nnv s GLU 100 Cb -0.16 -3.27 -0.01 0.00 2.00 0.00 0.00 34.13 32.68 1nnv s GLU 100 CO -0.09 0.53 -0.17 -0.59 -0.56 0.00 0.00 175.26 174.39 1nnv s PHE 101 N -0.32 1.51 0.06 5.30 -0.12 -1.26 -2.45 117.98 120.69 1nnv s PHE 101 Ca 0.11 -0.29 0.02 0.00 -0.05 0.00 0.00 56.93 56.72 1nnv s PHE 101 Cb -0.12 -0.97 -0.03 0.00 -0.63 0.00 0.00 43.02 41.28 1nnv s PHE 101 CO 0.01 -0.02 -0.07 -1.01 -0.05 0.00 0.00 175.22 174.08 1nnv s HIS 102 N -0.41 0.73 -0.14 3.49 0.09 -0.82 -4.98 115.29 113.24 1nnv s HIS 102 Ca 0.06 -0.64 -0.12 0.00 -0.00 0.00 0.00 55.06 54.37 1nnv s HIS 102 Cb -0.07 -0.43 0.04 0.00 -0.00 0.00 0.00 32.58 32.12 1nnv s HIS 102 CO -0.01 -0.11 0.37 0.54 -0.00 0.00 0.00 174.74 175.53 1nnv s VAL 103 N -2.12 -0.01 -0.12 -0.90 0.11 -1.26 -1.82 120.40 114.28 1nnv s VAL 103 Ca -0.03 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1nnv s VAL 103 Cb -0.05 -0.52 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 1nnv s VAL 103 CO -0.01 0.01 -0.16 0.27 -3.33 0.00 0.00 175.10 171.88 1nnv s ILE 104 N 0.48 2.80 0.10 7.04 -0.00 -0.97 -4.94 121.20 125.72 1nnv s ILE 104 Ca -0.02 -0.75 0.05 0.00 -0.00 0.00 0.00 60.65 59.92 1nnv s ILE 104 Cb -0.04 -2.15 -0.04 0.00 -0.00 0.00 0.00 42.46 40.23 1nnv s ILE 104 CO -0.02 0.53 0.01 0.26 -0.00 0.00 0.00 174.94 175.72 1nnv s TRP 105 N 0.32 2.99 0.89 1.37 0.52 -1.26 -2.49 118.94 121.27 1nnv s TRP 105 Ca -0.12 -0.03 -0.10 0.00 0.02 0.00 0.00 56.10 55.86 1nnv s TRP 105 Cb -0.16 -1.52 0.13 0.00 -1.15 0.00 0.00 33.47 30.76 1nnv s TRP 105 CO 0.06 0.49 1.12 0.15 0.02 0.00 0.00 176.95 178.79 1nnv s LYS 106 N -2.41 1.27 0.00 4.98 1.02 -1.06 -4.93 119.74 118.61 1nnv s LYS 106 Ca 0.26 1.33 0.00 0.00 0.02 0.00 0.00 55.97 57.58 1nnv s LYS 106 Cb -0.11 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 1nnv s LYS 106 CO 0.19 -2.38 0.00 0.36 -0.92 0.00 0.00 175.35 172.59