#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xvh n GLY 5 N 0.00 0.00 0.35 1.09 0.00 -1.26 -0.75 105.19 104.63 1xvh n GLY 5 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1xvh n GLY 5 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xvh h ASN 6 N 0.00 1.08 -0.29 1.61 -0.26 -2.02 -1.75 115.58 113.94 1xvh h ASN 6 Ca 0.00 -0.05 -0.03 0.00 -0.56 0.00 0.00 56.30 55.66 1xvh h ASN 6 Cb 0.00 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 36.98 1xvh h ASN 6 CO 0.00 0.81 0.08 0.25 -1.06 0.00 0.00 177.43 177.51 1xvh h LEU 7 N 1.25 0.44 -1.08 1.61 5.85 -1.32 -2.76 115.31 119.30 1xvh h LEU 7 Ca 0.33 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1xvh h LEU 7 Cb -0.09 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 1xvh h LEU 7 CO -0.07 0.54 0.62 -0.61 -0.34 0.00 0.00 178.44 178.58 1xvh h GLN 8 N 0.31 1.01 -0.60 1.25 5.75 -1.76 -0.89 115.11 120.19 1xvh h GLN 8 Ca 0.09 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.58 1xvh h GLN 8 Cb 0.27 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 28.54 1xvh h GLN 8 CO -0.00 0.67 0.33 1.15 -2.65 0.00 0.00 178.83 178.33 1xvh h THR 9 N 1.04 0.99 -0.40 2.39 2.02 -1.04 -1.36 112.91 116.55 1xvh h THR 9 Ca 0.43 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 67.30 1xvh h THR 9 Cb 0.30 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1xvh h THR 9 CO -0.19 0.12 -0.12 0.00 0.37 0.00 0.00 175.52 175.69 1xvh h ALA 10 N 1.30 0.55 -0.74 6.16 0.00 -1.09 -3.10 119.26 122.35 1xvh h ALA 10 Ca 0.26 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1xvh h ALA 10 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1xvh h ALA 10 CO -0.16 0.45 0.29 0.82 0.00 0.00 0.00 179.25 180.65 1xvh h ILE 11 N 0.60 1.25 0.00 0.00 2.04 -0.83 -2.79 117.51 117.78 1xvh h ILE 11 Ca 0.10 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1xvh h ILE 11 Cb 0.66 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1xvh h ILE 11 CO 0.04 0.32 0.00 0.59 0.00 0.00 0.00 178.15 179.10 1xvh n ASN 12 N -4.29 0.00 -0.68 1.72 5.03 -0.55 -2.69 115.26 113.80 1xvh n ASN 12 Ca 0.07 0.26 0.13 0.00 0.87 0.00 0.00 54.58 55.91 1xvh n ASN 12 Cb 0.18 -0.41 0.36 0.00 -1.02 0.00 0.00 39.78 38.88 1xvh n ASN 12 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1xvh n ASP 13 N -1.41 2.11 0.11 6.41 2.03 -1.05 -4.42 116.55 120.32 1xvh n ASP 13 Ca 0.09 -1.71 -0.15 0.00 0.52 0.00 0.00 54.79 53.54 1xvh n ASP 13 Cb 0.26 -0.03 -0.08 0.00 -0.72 0.00 0.00 41.12 40.56 1xvh n ASP 13 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1xvh h LYS 14 N 3.20 -0.64 -0.53 -0.67 3.64 -1.61 -1.94 116.57 118.02 1xvh h LYS 14 Ca 0.00 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1xvh h LYS 14 Cb 0.68 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1xvh h LYS 14 CO 0.00 -0.43 0.19 0.66 -2.27 0.00 0.00 179.45 177.60 1xvh h SER 15 N -0.66 0.71 -0.24 4.20 4.64 -1.84 0.31 113.55 120.66 1xvh h SER 15 Ca 0.02 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.13 1xvh h SER 15 Cb 0.69 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1xvh h SER 15 CO -0.26 0.66 -0.24 1.23 -0.87 0.00 0.00 176.83 177.35 1xvh h GLY 16 N 0.91 0.78 0.94 -0.77 0.00 -1.84 -2.58 103.07 100.51 1xvh h GLY 16 Ca 0.18 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1xvh h GLY 16 CO -0.01 0.61 0.09 -0.84 0.00 0.00 0.00 176.54 176.39 1xvh h THR 17 N 0.63 1.23 0.00 4.70 2.02 0.14 -2.74 112.91 118.89 1xvh h THR 17 Ca 0.09 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1xvh h THR 17 Cb 0.74 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1xvh h THR 17 CO 0.06 0.28 0.00 -0.07 0.37 0.00 0.00 175.52 176.16 1xvh h LEU 18 N 0.53 0.00 -0.58 2.58 3.38 -0.39 -0.82 115.31 120.01 1xvh h LEU 18 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1xvh h LEU 18 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1xvh h LEU 18 CO 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 178.44 178.18 1xvh n ALA 19 N -2.01 3.30 -2.07 1.53 0.00 -0.99 -4.67 120.51 115.60 1xvh n ALA 19 Ca 0.01 -0.47 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 1xvh n ALA 19 Cb 0.26 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 1xvh n ALA 19 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xvh s SER 20 N -2.54 6.98 0.44 0.00 1.04 -0.31 -4.94 113.70 114.37 1xvh s SER 20 Ca 0.21 1.42 0.10 0.00 0.48 0.00 0.00 55.95 58.17 1xvh s SER 20 Cb 0.19 -2.42 0.99 0.00 0.10 0.00 0.00 66.02 64.87 1xvh s SER 20 CO 0.56 -0.08 2.07 -0.61 0.98 0.00 0.00 173.24 176.16 1xvh h GLN 21 N 2.93 0.39 -0.10 4.02 -0.00 -1.93 -0.18 115.11 120.25 1xvh h GLN 21 Ca -0.48 -0.02 -0.07 0.00 -0.00 0.00 0.00 58.65 58.08 1xvh h GLN 21 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.57 1xvh h GLN 21 CO 0.65 0.26 -0.26 -0.97 0.00 0.00 0.00 178.83 178.51 1xvh h ASN 22 N 0.40 0.17 0.00 -0.69 -1.24 -1.90 -0.98 115.58 111.34 1xvh h ASN 22 Ca 0.14 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 1xvh h ASN 22 Cb 0.07 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.07 1xvh h ASN 22 CO -0.03 0.43 -0.00 0.15 -1.29 0.00 0.00 177.43 176.69 1xvh h PHE 23 N 0.16 -0.00 -0.85 0.67 3.57 -1.55 -0.35 116.94 118.58 1xvh h PHE 23 Ca 0.03 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1xvh h PHE 23 Cb 0.54 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 1xvh h PHE 23 CO 0.01 0.96 0.55 -0.07 -2.23 0.00 0.00 178.31 177.53 1xvh h LEU 24 N -1.00 0.84 -2.45 0.59 3.38 -0.84 -1.04 115.31 114.79 1xvh h LEU 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xvh h LEU 24 Cb 0.96 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1xvh h LEU 24 CO 0.00 0.54 0.00 0.47 0.09 0.00 0.00 178.44 179.54 1xvh n ASP 25 N -4.48 3.62 -4.74 -0.43 8.00 -0.39 -4.95 116.55 113.17 1xvh n ASP 25 Ca 0.13 -2.00 -0.33 0.00 0.71 0.00 0.00 54.79 53.30 1xvh n ASP 25 Cb 0.20 -0.32 0.08 0.00 -0.02 0.00 0.00 41.12 41.06 1xvh n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xvh s ALA 26 N -1.35 2.20 0.49 2.24 0.00 -0.40 -3.99 121.76 120.94 1xvh s ALA 26 Ca 0.42 0.63 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 1xvh s ALA 26 Cb 0.24 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 1xvh s ALA 26 CO 0.32 -1.73 0.95 -0.25 0.00 0.00 0.00 175.76 175.05 1xvh n ASP 27 N -2.89 0.89 -0.33 0.00 8.00 -1.26 -4.73 116.55 116.23 1xvh n ASP 27 Ca 0.11 0.94 -0.00 0.00 0.71 0.00 0.00 54.79 56.55 1xvh n ASP 27 Cb 0.51 -1.35 0.17 0.00 -0.02 0.00 0.00 41.12 40.44 1xvh n ASP 27 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1xvh h GLU 28 N 1.10 1.18 -0.38 -1.24 4.81 -1.96 -0.34 114.58 117.75 1xvh h GLU 28 Ca -0.46 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 58.64 1xvh h GLU 28 Cb 1.35 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1xvh h GLU 28 CO 0.54 0.78 -0.04 1.96 -0.73 0.00 0.00 179.01 181.52 1xvh h GLN 29 N 1.22 0.63 -0.29 1.92 4.20 -1.99 -0.75 115.11 120.04 1xvh h GLN 29 Ca 0.36 -0.16 -0.16 0.00 0.06 0.00 0.00 58.65 58.75 1xvh h GLN 29 Cb -0.06 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1xvh h GLN 29 CO -0.09 0.67 -0.46 0.87 -0.67 0.00 0.00 178.83 179.15 1xvh h LYS 30 N 0.59 0.75 -0.48 1.46 1.57 -1.45 -0.79 116.57 118.22 1xvh h LYS 30 Ca 0.12 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1xvh h LYS 30 Cb 0.43 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1xvh h LYS 30 CO 0.02 1.05 0.27 0.00 -0.57 0.00 0.00 179.45 180.23 1xvh h ARG 31 N 0.60 0.66 -0.45 3.15 3.08 -0.91 -2.20 114.38 118.31 1xvh h ARG 31 Ca 0.03 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1xvh h ARG 31 Cb 1.03 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 1xvh h ARG 31 CO 0.10 0.50 0.25 -0.91 -1.07 0.00 0.00 179.97 178.84 1xvh h ASN 32 N 0.63 0.55 -0.99 7.04 2.35 -0.99 -1.08 115.58 123.10 1xvh h ASN 32 Ca 0.17 -0.08 0.06 0.00 -0.55 0.00 0.00 56.30 55.89 1xvh h ASN 32 Cb 0.02 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 1xvh h ASN 32 CO -0.03 0.48 0.64 0.00 -1.65 0.00 0.00 177.43 176.87 1xvh h ALA 33 N 1.10 1.36 -0.05 -0.83 0.00 -1.06 0.13 119.26 119.91 1xvh h ALA 33 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xvh h ALA 33 Cb 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1xvh h ALA 33 CO -0.03 0.46 -0.03 -0.92 0.00 0.00 0.00 179.25 178.73 1xvh h TYR 34 N 1.19 0.13 -0.49 0.00 3.20 -1.08 -2.06 116.97 117.86 1xvh h TYR 34 Ca 0.42 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.31 1xvh h TYR 34 Cb 0.12 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 1xvh h TYR 34 CO -0.00 0.53 0.20 -0.91 -1.64 0.00 0.00 178.16 176.33 1xvh h ASN 35 N -0.31 0.24 -0.81 -2.11 2.35 -0.88 -0.18 115.58 113.89 1xvh h ASN 35 Ca 0.01 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1xvh h ASN 35 Cb 0.50 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 1xvh h ASN 35 CO 0.01 0.17 0.38 1.56 -1.65 0.00 0.00 177.43 177.90 1xvh h GLN 36 N 0.39 1.17 -0.41 0.81 4.20 -0.79 -1.26 115.11 119.24 1xvh h GLN 36 Ca 0.23 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1xvh h GLN 36 Cb 0.20 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1xvh h GLN 36 CO -0.21 0.91 0.05 0.00 -0.67 0.00 0.00 178.83 178.91 1xvh h ALA 37 N 1.25 0.54 -0.47 3.87 0.00 -0.87 -1.17 119.26 122.42 1xvh h ALA 37 Ca 0.28 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xvh h ALA 37 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xvh h ALA 37 CO -0.03 0.27 0.29 0.28 0.00 0.00 0.00 179.25 180.05 1xvh h VAL 38 N 0.53 1.14 -0.36 0.00 2.07 -0.88 -1.31 116.25 117.44 1xvh h VAL 38 Ca 0.12 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1xvh h VAL 38 Cb 0.39 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1xvh h VAL 38 CO 0.01 0.15 0.21 0.28 0.02 0.00 0.00 177.57 178.24 1xvh h SER 39 N 0.63 0.34 -0.80 0.57 0.02 -1.07 -0.60 113.55 112.65 1xvh h SER 39 Ca 0.17 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.21 1xvh h SER 39 Cb -0.01 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.39 1xvh h SER 39 CO -0.03 0.25 0.45 0.00 -1.14 0.00 0.00 176.83 176.36 1xvh h ALA 40 N 1.16 1.12 -0.43 3.77 0.00 -1.08 -0.98 119.26 122.82 1xvh h ALA 40 Ca 0.14 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1xvh h ALA 40 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xvh h ALA 40 CO -0.07 0.09 -0.31 0.00 0.00 0.00 0.00 179.25 178.96 1xvh h ALA 41 N 1.44 0.63 -0.48 0.00 0.00 -0.91 -2.76 119.26 117.16 1xvh h ALA 41 Ca 0.38 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1xvh h ALA 41 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xvh h ALA 41 CO -0.24 0.68 0.14 0.93 0.00 0.00 0.00 179.25 180.76 1xvh h GLU 42 N 0.81 0.72 -0.23 0.00 5.08 -0.69 -0.34 114.58 119.92 1xvh h GLU 42 Ca 0.08 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1xvh h GLU 42 Cb 0.90 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1xvh h GLU 42 CO 0.08 0.63 0.09 1.15 -1.00 0.00 0.00 179.01 179.96 1xvh h THR 43 N 0.70 0.95 0.27 1.13 2.02 -0.99 0.55 112.91 117.53 1xvh h THR 43 Ca 0.16 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1xvh h THR 43 Cb 0.22 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1xvh h THR 43 CO -0.01 0.04 -0.13 0.40 0.37 0.00 0.00 175.52 176.19 1xvh h ILE 44 N 0.20 0.76 0.00 3.11 2.04 -1.18 -2.17 117.51 120.26 1xvh h ILE 44 Ca 0.10 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1xvh h ILE 44 Cb 0.06 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1xvh h ILE 44 CO -0.10 0.04 0.00 0.18 0.00 0.00 0.00 178.15 178.28 1xvh n LEU 45 N -5.20 0.00 -1.08 1.44 4.77 -0.18 -4.96 117.00 111.79 1xvh n LEU 45 Ca -0.10 0.48 -0.04 0.00 -0.03 0.00 0.00 56.01 56.32 1xvh n LEU 45 Cb 0.20 -0.48 0.18 0.00 -2.33 0.00 0.00 43.42 40.98 1xvh n LEU 45 CO 0.34 -0.31 0.51 0.59 -1.33 0.00 0.00 177.39 177.19 1xvh n ASN 46 N -1.48 2.62 0.00 -1.43 3.02 0.19 -5.04 115.26 113.14 1xvh n ASN 46 Ca 0.03 -3.84 0.00 0.00 -0.03 0.00 0.00 54.58 50.74 1xvh n ASN 46 Cb 0.12 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1xvh n ASN 46 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1xvh n THR 53 N -1.06 0.00 -2.21 3.41 -2.24 -1.26 -4.95 114.28 105.97 1xvh n THR 53 Ca 0.30 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.69 1xvh n THR 53 Cb 0.87 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 1xvh n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xvh s ALA 54 N -1.68 3.13 0.32 6.98 0.00 -1.26 -4.90 121.76 124.35 1xvh s ALA 54 Ca 0.00 1.04 0.08 0.00 0.00 0.00 0.00 51.96 53.08 1xvh s ALA 54 Cb 0.00 -3.41 0.78 0.00 0.00 0.00 0.00 23.12 20.49 1xvh s ALA 54 CO 0.00 -0.66 1.80 -0.22 0.00 0.00 0.00 175.76 176.68 1xvh h LYS 55 N 2.49 0.71 -0.76 0.00 3.64 -2.05 -1.90 116.57 118.69 1xvh h LYS 55 Ca -0.49 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 1xvh h LYS 55 Cb 1.24 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 1xvh h LYS 55 CO 0.62 0.47 0.40 1.79 -2.27 0.00 0.00 179.45 180.46 1xvh h THR 56 N 0.73 1.23 -0.19 1.00 1.35 -1.98 0.97 112.91 116.02 1xvh h THR 56 Ca 0.55 -0.59 -0.21 0.00 -0.55 0.00 0.00 66.41 65.60 1xvh h THR 56 Cb 0.89 0.21 0.01 0.00 -1.73 0.00 0.00 68.15 67.53 1xvh h THR 56 CO -0.32 0.26 -0.72 0.00 -0.25 0.00 0.00 175.52 174.49 1xvh h ALA 57 N 1.37 0.34 -0.33 6.62 0.00 -1.75 -0.84 119.26 124.68 1xvh h ALA 57 Ca 0.27 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1xvh h ALA 57 Cb 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xvh h ALA 57 CO -0.04 0.68 0.13 0.28 0.00 0.00 0.00 179.25 180.30 1xvh h VAL 58 N 0.58 1.18 -0.39 0.00 2.07 -1.32 -1.66 116.25 116.71 1xvh h VAL 58 Ca -0.04 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1xvh h VAL 58 Cb 1.34 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1xvh h VAL 58 CO 0.15 0.19 0.25 -0.33 0.02 0.00 0.00 177.57 177.86 1xvh h GLU 59 N 0.38 0.50 -0.62 1.57 5.08 -0.77 -1.46 114.58 119.26 1xvh h GLU 59 Ca 0.11 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1xvh h GLU 59 Cb 0.17 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1xvh h GLU 59 CO -0.01 0.33 0.16 1.96 -1.00 0.00 0.00 179.01 180.45 1xvh h GLN 60 N 0.52 1.00 -0.58 2.33 4.20 -1.12 -0.84 115.11 120.61 1xvh h GLN 60 Ca 0.14 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1xvh h GLN 60 Cb -0.05 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 1xvh h GLN 60 CO -0.04 0.90 0.35 0.00 -0.67 0.00 0.00 178.83 179.37 1xvh h ALA 61 N 1.05 0.74 -0.23 3.87 0.00 -1.08 0.51 119.26 124.12 1xvh h ALA 61 Ca 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xvh h ALA 61 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xvh h ALA 61 CO 0.00 0.22 0.12 1.25 0.00 0.00 0.00 179.25 180.84 1xvh h LEU 62 N 0.79 0.30 -0.81 0.00 5.85 -1.08 -1.95 115.31 118.40 1xvh h LEU 62 Ca 0.21 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1xvh h LEU 62 Cb -0.02 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1xvh h LEU 62 CO -0.04 0.32 0.51 0.78 -0.34 0.00 0.00 178.44 179.67 1xvh h ASN 63 N 0.25 0.81 -0.36 1.25 4.21 -0.73 -1.21 115.58 119.81 1xvh h ASN 63 Ca 0.08 0.01 -0.10 0.00 1.21 0.00 0.00 56.30 57.50 1xvh h ASN 63 Cb 0.10 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 1xvh h ASN 63 CO -0.01 0.53 -0.11 0.78 -1.29 0.00 0.00 177.43 177.33 1xvh h ASN 64 N 0.95 0.79 0.07 5.81 2.35 -0.74 -0.87 115.58 123.94 1xvh h ASN 64 Ca 0.34 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1xvh h ASN 64 Cb 0.11 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1xvh h ASN 64 CO -0.15 0.93 -0.03 0.58 -1.65 0.00 0.00 177.43 177.11 1xvh h VAL 65 N 0.72 1.11 -0.48 2.81 2.07 -1.12 -1.77 116.25 119.60 1xvh h VAL 65 Ca 0.12 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1xvh h VAL 65 Cb 0.60 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1xvh h VAL 65 CO 0.04 0.16 0.28 0.78 0.02 0.00 0.00 177.57 178.84 1xvh h ASN 66 N -0.38 0.44 -0.70 0.57 2.35 -1.07 0.60 115.58 117.39 1xvh h ASN 66 Ca -0.01 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1xvh h ASN 66 Cb 0.33 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1xvh h ASN 66 CO 0.02 0.31 0.26 0.78 -1.65 0.00 0.00 177.43 177.14 1xvh h ASN 67 N 0.55 0.99 -0.42 5.81 2.35 -1.22 -1.31 115.58 122.32 1xvh h ASN 67 Ca 0.19 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1xvh h ASN 67 Cb 0.04 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1xvh h ASN 67 CO -0.10 0.91 -0.08 0.00 -1.65 0.00 0.00 177.43 176.51 1xvh h ALA 68 N 1.12 0.58 -0.53 -0.83 0.00 -0.96 -1.01 119.26 117.63 1xvh h ALA 68 Ca 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xvh h ALA 68 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xvh h ALA 68 CO -0.01 0.44 0.22 -0.22 0.00 0.00 0.00 179.25 179.67 1xvh h LYS 69 N 0.63 0.79 0.00 0.00 3.64 -0.75 -2.67 116.57 118.21 1xvh h LYS 69 Ca 0.11 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1xvh h LYS 69 Cb 0.60 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1xvh h LYS 69 CO 0.04 0.69 -0.31 1.25 -2.27 0.00 0.00 179.45 178.85 1xvh h HIS 70 N 0.72 0.00 0.00 1.91 2.76 -1.11 -2.60 115.15 116.83 1xvh h HIS 70 Ca 0.18 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1xvh h HIS 70 Cb 0.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1xvh h HIS 70 CO 0.01 0.31 0.00 0.00 -1.30 0.00 0.00 177.93 176.94 1xvh h ALA 71 N 1.69 1.00 -2.51 5.26 0.00 -0.85 -3.45 119.26 120.41 1xvh h ALA 71 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1xvh h ALA 71 Cb 0.57 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.45 1xvh h ALA 71 CO 0.04 0.00 0.59 1.28 0.00 0.00 0.00 179.25 181.16 1xvh n LEU 72 N -2.92 3.54 -0.75 0.00 4.77 -0.98 -4.90 117.00 115.75 1xvh n LEU 72 Ca 0.02 1.18 0.04 0.00 -0.03 0.00 0.00 56.01 57.22 1xvh n LEU 72 Cb 0.37 -1.48 0.05 0.00 -2.33 0.00 0.00 43.42 40.04 1xvh n LEU 72 CO 0.29 -0.40 0.26 -0.46 -1.33 0.00 0.00 177.39 175.74 1xvh n ASN 73 N 1.34 0.90 -0.32 -1.43 6.94 -1.25 -4.86 115.26 116.58 1xvh n ASN 73 Ca 0.07 -2.41 0.09 0.00 -0.02 0.00 0.00 54.58 52.31 1xvh n ASN 73 Cb 0.35 -0.31 0.26 0.00 -2.36 0.00 0.00 39.78 37.72 1xvh n ASN 73 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1xvh h GLY 74 N 0.43 1.54 1.00 4.83 0.00 -1.19 -0.07 103.07 109.62 1xvh h GLY 74 Ca -0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1xvh h GLY 74 CO 0.03 -0.05 -0.04 -0.84 0.00 0.00 0.00 176.54 175.65 1xvh h THR 75 N 0.68 0.93 -0.76 4.70 2.02 -1.79 0.58 112.91 119.27 1xvh h THR 75 Ca 0.51 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.71 1xvh h THR 75 Cb 0.75 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1xvh h THR 75 CO -0.37 0.00 0.48 -0.61 0.37 0.00 0.00 175.52 175.39 1xvh h GLN 76 N -0.10 0.93 -0.75 6.66 4.15 -1.89 -0.74 115.11 123.37 1xvh h GLN 76 Ca -0.01 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.37 1xvh h GLN 76 Cb 0.08 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.52 1xvh h GLN 76 CO 0.02 0.61 0.49 -0.91 -1.93 0.00 0.00 178.83 177.11 1xvh h ASN 77 N 0.95 0.83 -0.02 -0.69 2.35 -0.64 0.04 115.58 118.41 1xvh h ASN 77 Ca 0.30 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1xvh h ASN 77 Cb -0.02 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1xvh h ASN 77 CO -0.10 0.59 0.01 0.25 -1.65 0.00 0.00 177.43 176.54 1xvh h LEU 78 N 0.99 0.02 -1.09 1.61 5.85 -0.63 -0.76 115.31 121.31 1xvh h LEU 78 Ca 0.28 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1xvh h LEU 78 Cb -0.07 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1xvh h LEU 78 CO -0.08 0.08 0.17 0.78 -0.34 0.00 0.00 178.44 179.05 1xvh h ASN 79 N -0.03 0.76 -0.57 1.25 2.35 -0.81 -1.04 115.58 117.48 1xvh h ASN 79 Ca 0.01 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1xvh h ASN 79 Cb 0.06 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1xvh h ASN 79 CO -0.00 0.72 0.32 0.78 -1.65 0.00 0.00 177.43 177.60 1xvh h ASN 80 N 0.80 0.71 -0.70 5.81 -0.26 -0.93 -2.17 115.58 118.85 1xvh h ASN 80 Ca 0.18 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1xvh h ASN 80 Cb 0.23 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.28 1xvh h ASN 80 CO -0.01 0.59 0.40 0.00 -1.06 0.00 0.00 177.43 177.35 1xvh h ALA 81 N 1.15 0.89 -0.17 -0.83 0.00 -0.67 -1.27 119.26 118.37 1xvh h ALA 81 Ca 0.20 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1xvh h ALA 81 Cb 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1xvh h ALA 81 CO -0.03 0.39 0.01 0.87 0.00 0.00 0.00 179.25 180.48 1xvh h LYS 82 N 0.96 0.06 -0.47 0.00 1.57 -1.11 -1.83 116.57 115.74 1xvh h LYS 82 Ca 0.25 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 1xvh h LYS 82 Cb 0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1xvh h LYS 82 CO -0.04 0.04 -0.07 0.37 -0.57 0.00 0.00 179.45 179.18 1xvh h GLN 83 N 0.06 0.84 -0.72 3.15 5.75 -1.24 0.24 115.11 123.18 1xvh h GLN 83 Ca 0.08 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1xvh h GLN 83 Cb 0.09 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 1xvh h GLN 83 CO -0.13 0.88 0.40 0.00 -2.65 0.00 0.00 178.83 177.34 1xvh h ALA 84 N 1.15 0.92 -0.29 3.38 0.00 -1.17 0.35 119.26 123.60 1xvh h ALA 84 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xvh h ALA 84 Cb 0.56 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xvh h ALA 84 CO 0.03 0.43 0.14 0.00 0.00 0.00 0.00 179.25 179.85 1xvh h ALA 85 N 1.21 0.38 -0.55 0.00 0.00 -0.65 -1.95 119.26 117.69 1xvh h ALA 85 Ca 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1xvh h ALA 85 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xvh h ALA 85 CO -0.04 -0.06 0.25 0.82 0.00 0.00 0.00 179.25 180.21 1xvh h ILE 86 N 0.34 1.21 -0.33 0.00 2.04 -0.64 -0.32 117.51 119.81 1xvh h ILE 86 Ca 0.10 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.36 1xvh h ILE 86 Cb 0.12 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1xvh h ILE 86 CO -0.01 0.25 0.16 0.74 0.00 0.00 0.00 178.15 179.28 1xvh h THR 87 N 0.75 0.98 -0.41 -0.27 2.02 -0.90 0.15 112.91 115.23 1xvh h THR 87 Ca 0.19 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1xvh h THR 87 Cb 0.16 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1xvh h THR 87 CO -0.02 0.06 0.27 0.00 0.37 0.00 0.00 175.52 176.20 1xvh h ALA 88 N 1.17 0.52 -0.55 6.16 0.00 -1.05 -1.48 119.26 124.04 1xvh h ALA 88 Ca 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xvh h ALA 88 Cb 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xvh h ALA 88 CO -0.10 -0.04 0.36 0.82 0.00 0.00 0.00 179.25 180.30 1xvh h ILE 89 N 0.54 1.14 -0.72 0.00 2.04 -0.62 -1.42 117.51 118.48 1xvh h ILE 89 Ca 0.15 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1xvh h ILE 89 Cb -0.05 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 1xvh h ILE 89 CO -0.04 0.14 0.45 0.78 0.00 0.00 0.00 178.15 179.47 1xvh h ASN 90 N 0.74 0.84 -0.10 1.72 2.35 -0.47 -2.23 115.58 118.43 1xvh h ASN 90 Ca 0.20 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1xvh h ASN 90 Cb -0.09 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.07 1xvh h ASN 90 CO -0.04 0.64 0.00 0.61 -1.65 0.00 0.00 177.43 176.98 1xvh n GLY 91 N -1.23 -0.38 3.43 2.83 0.00 -0.58 -4.65 105.19 104.61 1xvh n GLY 91 Ca 0.06 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 1xvh n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xvh s ALA 92 N -1.82 3.41 0.31 4.61 0.00 -0.59 -4.89 121.76 122.79 1xvh s ALA 92 Ca 0.07 -2.59 0.25 0.00 0.00 0.00 0.00 51.96 49.69 1xvh s ALA 92 Cb 0.04 -3.88 1.21 0.00 0.00 0.00 0.00 23.12 20.49 1xvh s ALA 92 CO 0.04 -2.77 1.96 0.66 0.00 0.00 0.00 175.76 175.66 1xvh h SER 93 N 8.90 0.00 0.70 0.00 4.64 -1.86 -2.87 113.55 123.06 1xvh h SER 93 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xvh h SER 93 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1xvh h SER 93 CO 1.08 0.18 -0.36 0.47 -0.87 0.00 0.00 176.83 177.32 1xvh n ASP 94 N -3.57 0.39 -4.77 4.97 8.00 -1.26 -4.86 116.55 115.44 1xvh n ASP 94 Ca -0.01 0.02 -0.38 0.00 0.71 0.00 0.00 54.79 55.13 1xvh n ASP 94 Cb 0.32 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 1xvh n ASP 94 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xvh s LEU 95 N -3.18 4.48 0.73 0.64 1.43 -1.09 -5.02 118.68 116.67 1xvh s LEU 95 Ca 0.11 1.79 -0.07 0.00 -1.03 0.00 0.00 54.13 54.93 1xvh s LEU 95 Cb 0.17 -3.73 0.08 0.00 0.03 0.00 0.00 46.19 42.74 1xvh s LEU 95 CO 0.65 0.06 1.04 0.54 0.23 0.00 0.00 176.35 178.87 1xvh s ASN 96 N -1.41 4.65 0.26 2.29 2.20 -1.26 -4.86 114.94 116.81 1xvh s ASN 96 Ca 0.44 0.41 -0.04 0.00 -0.94 0.00 0.00 52.86 52.73 1xvh s ASN 96 Cb -0.21 -0.99 0.32 0.00 -2.00 0.00 0.00 41.25 38.37 1xvh s ASN 96 CO 0.26 -1.71 1.90 -0.61 -2.94 0.00 0.00 177.10 174.00 1xvh h GLN 97 N -0.69 1.15 -0.44 3.55 5.75 -1.99 -0.63 115.11 121.81 1xvh h GLN 97 Ca -0.44 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 57.93 1xvh h GLN 97 Cb 1.31 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.60 1xvh h GLN 97 CO 0.58 0.83 0.22 -0.22 -2.65 0.00 0.00 178.83 177.58 1xvh h LYS 98 N 1.16 0.63 0.08 1.69 3.64 -1.99 -1.01 116.57 120.77 1xvh h LYS 98 Ca 0.30 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1xvh h LYS 98 Cb -0.01 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1xvh h LYS 98 CO -0.05 0.53 -0.04 1.96 -2.27 0.00 0.00 179.45 179.58 1xvh h GLN 99 N 0.56 -0.10 -0.51 1.90 4.20 -1.85 -2.07 115.11 117.23 1xvh h GLN 99 Ca 0.15 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.97 1xvh h GLN 99 Cb 0.11 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.81 1xvh h GLN 99 CO -0.02 0.21 -0.14 0.87 -0.67 0.00 0.00 178.83 179.07 1xvh h LYS 100 N -0.42 -0.02 -0.83 1.46 1.57 -1.10 -1.51 116.57 115.72 1xvh h LYS 100 Ca -0.01 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1xvh h LYS 100 Cb 0.36 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1xvh h LYS 100 CO 0.02 -0.01 0.55 -0.44 -0.57 0.00 0.00 179.45 178.99 1xvh h ASP 101 N -0.02 0.93 -0.55 0.86 3.32 -1.16 -0.16 116.42 119.64 1xvh h ASP 101 Ca 0.24 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 1xvh h ASP 101 Cb 0.39 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1xvh h ASP 101 CO -0.53 0.66 0.04 0.00 -1.72 0.00 0.00 179.24 177.69 1xvh h ALA 102 N 1.33 0.73 -0.15 3.45 0.00 -0.68 -1.65 119.26 122.28 1xvh h ALA 102 Ca 0.32 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1xvh h ALA 102 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1xvh h ALA 102 CO -0.09 0.51 -0.43 -0.07 0.00 0.00 0.00 179.25 179.17 1xvh h LEU 103 N 0.82 0.37 -0.51 0.00 3.38 -0.97 -2.02 115.31 116.38 1xvh h LEU 103 Ca 0.16 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1xvh h LEU 103 Cb 0.48 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1xvh h LEU 103 CO 0.02 0.76 -0.08 0.11 0.09 0.00 0.00 178.44 179.34 1xvh h LYS 104 N 0.29 0.95 -0.76 1.13 1.57 -0.77 -1.03 116.57 117.94 1xvh h LYS 104 Ca 0.02 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1xvh h LYS 104 Cb 0.88 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 1xvh h LYS 104 CO 0.07 1.01 0.35 0.00 -0.57 0.00 0.00 179.45 180.31 1xvh h ALA 105 N 0.91 0.99 -0.65 3.86 0.00 -1.14 0.29 119.26 123.52 1xvh h ALA 105 Ca 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1xvh h ALA 105 Cb 0.63 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1xvh h ALA 105 CO 0.04 0.57 0.33 1.96 0.00 0.00 0.00 179.25 182.15 1xvh h GLN 106 N 1.08 0.93 -0.11 0.00 4.20 -1.11 -2.37 115.11 117.73 1xvh h GLN 106 Ca 0.26 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1xvh h GLN 106 Cb 0.15 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1xvh h GLN 106 CO -0.03 0.73 0.04 0.00 -0.67 0.00 0.00 178.83 178.89 1xvh h ALA 107 N 1.15 0.14 0.00 3.87 0.00 -0.76 -2.55 119.26 121.12 1xvh h ALA 107 Ca 0.23 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1xvh h ALA 107 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xvh h ALA 107 CO -0.03 -0.25 -0.29 -0.91 0.00 0.00 0.00 179.25 177.77 1xvh h ASN 108 N 0.00 0.00 0.03 0.00 2.35 -0.91 -1.77 115.58 115.29 1xvh h ASN 108 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1xvh h ASN 108 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1xvh h ASN 108 CO -0.00 0.29 -0.05 0.61 -1.65 0.00 0.00 177.43 176.63 1xvh n GLY 109 N -0.48 -0.07 3.72 2.83 0.00 -0.90 -4.95 105.19 105.35 1xvh n GLY 109 Ca -0.02 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1xvh n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xvh s ALA 110 N -2.09 3.93 -0.43 4.61 0.00 -0.67 -4.88 121.76 122.23 1xvh s ALA 110 Ca 0.35 1.59 0.23 0.00 0.00 0.00 0.00 51.96 54.13 1xvh s ALA 110 Cb 0.21 -3.69 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1xvh s ALA 110 CO 0.37 -0.93 0.96 1.04 0.00 0.00 0.00 175.76 177.19 1xvh n GLN 111 N 3.85 0.42 -4.11 0.00 3.00 -1.26 -4.94 117.38 114.34 1xvh n GLN 111 Ca 0.15 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.01 1xvh n GLN 111 Cb 0.35 -1.64 -0.11 0.00 0.00 0.00 0.00 30.24 28.84 1xvh n GLN 111 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1xvh s ARG 112 N -3.28 0.65 0.26 -1.09 1.81 -1.26 -5.00 118.95 111.04 1xvh s ARG 112 Ca 0.01 -0.96 -0.02 0.00 -1.72 0.00 0.00 55.73 53.04 1xvh s ARG 112 Cb 0.13 -0.32 0.44 0.00 -0.45 0.00 0.00 34.95 34.74 1xvh s ARG 112 CO 0.81 0.04 1.85 0.28 -0.68 0.00 0.00 175.30 177.60 1xvh h VAL 113 N 4.00 0.99 -0.54 3.52 2.07 -1.91 -2.06 116.25 122.32 1xvh h VAL 113 Ca -0.36 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1xvh h VAL 113 Cb 1.19 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1xvh h VAL 113 CO 0.48 0.18 0.27 0.77 0.02 0.00 0.00 177.57 179.29 1xvh h SER 114 N 1.01 0.67 -0.20 0.57 4.64 -1.98 -1.23 113.55 117.03 1xvh h SER 114 Ca 0.44 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 1xvh h SER 114 Cb 0.31 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1xvh h SER 114 CO -0.22 0.57 0.09 0.78 -0.87 0.00 0.00 176.83 177.18 1xvh h ASN 115 N 0.75 0.26 -0.81 4.97 -0.26 -1.79 0.57 115.58 119.27 1xvh h ASN 115 Ca 0.19 -0.14 -0.04 0.00 -0.56 0.00 0.00 56.30 55.75 1xvh h ASN 115 Cb 0.07 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.22 1xvh h ASN 115 CO -0.03 0.33 0.37 0.00 -1.06 0.00 0.00 177.43 177.04 1xvh h ALA 116 N 0.94 1.11 -0.76 -0.83 0.00 -1.25 -1.19 119.26 117.28 1xvh h ALA 116 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1xvh h ALA 116 Cb 0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1xvh h ALA 116 CO -0.01 0.66 0.35 1.96 0.00 0.00 0.00 179.25 182.21 1xvh h GLN 117 N 1.17 1.09 -0.42 0.00 4.20 -1.12 -1.54 115.11 118.49 1xvh h GLN 117 Ca 0.28 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1xvh h GLN 117 Cb 0.15 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1xvh h GLN 117 CO -0.03 0.84 0.15 -0.44 -0.67 0.00 0.00 178.83 178.69 1xvh h ASP 118 N 1.08 0.59 -0.11 1.46 3.32 -0.53 -1.38 116.42 120.85 1xvh h ASP 118 Ca 0.26 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1xvh h ASP 118 Cb 0.13 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1xvh h ASP 118 CO -0.03 0.61 0.01 0.58 -1.72 0.00 0.00 179.24 178.69 1xvh h VAL 119 N 0.53 0.94 -0.44 -1.35 2.07 -0.96 -0.42 116.25 116.62 1xvh h VAL 119 Ca 0.14 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.73 1xvh h VAL 119 Cb 0.22 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 1xvh h VAL 119 CO -0.01 0.01 -0.09 -0.61 0.02 0.00 0.00 177.57 176.89 1xvh h GLN 120 N 0.05 0.02 -0.15 1.57 4.15 -1.18 0.12 115.11 119.68 1xvh h GLN 120 Ca 0.05 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.50 1xvh h GLN 120 Cb 0.05 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1xvh h GLN 120 CO -0.07 0.01 -0.05 1.25 -1.93 0.00 0.00 178.83 178.04 1xvh h HIS 121 N 0.02 -0.11 -0.94 3.99 2.76 -0.84 -1.71 115.15 118.32 1xvh h HIS 121 Ca 0.21 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.41 1xvh h HIS 121 Cb 0.32 0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.31 1xvh h HIS 121 CO -0.37 -0.08 0.62 -0.91 -1.30 0.00 0.00 177.93 175.90 1xvh h ASN 122 N -0.02 1.08 -0.70 3.26 2.35 -0.69 0.13 115.58 120.99 1xvh h ASN 122 Ca 0.08 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1xvh h ASN 122 Cb 0.14 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1xvh h ASN 122 CO -0.17 0.77 0.44 0.00 -1.65 0.00 0.00 177.43 176.82 1xvh h ALA 123 N 1.35 0.89 -0.24 -0.83 0.00 -0.52 0.92 119.26 120.84 1xvh h ALA 123 Ca 0.35 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1xvh h ALA 123 Cb -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.38 1xvh h ALA 123 CO -0.08 0.35 -0.44 1.15 0.00 0.00 0.00 179.25 180.23 1xvh h THR 124 N 0.95 1.30 -0.11 0.00 2.02 -0.71 0.12 112.91 116.48 1xvh h THR 124 Ca 0.25 -1.65 0.02 0.00 0.77 0.00 0.00 66.41 65.81 1xvh h THR 124 Cb -0.06 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1xvh h THR 124 CO -0.05 0.52 -0.01 -0.08 0.37 0.00 0.00 175.52 176.27 1xvh h GLU 125 N 0.45 0.02 -0.38 6.66 4.57 -0.63 -2.26 114.58 123.01 1xvh h GLU 125 Ca 0.01 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1xvh h GLU 125 Cb 1.04 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 1xvh h GLU 125 CO 0.10 0.01 -0.07 1.25 -1.18 0.00 0.00 179.01 179.13 1xvh h LEU 126 N 0.02 0.63 -1.14 1.64 5.85 -0.73 -2.66 115.31 118.93 1xvh h LEU 126 Ca 0.05 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 1xvh h LEU 126 Cb 0.07 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1xvh h LEU 126 CO -0.10 0.74 -0.15 -1.13 -0.34 0.00 0.00 178.44 177.47 1xvh h ASN 127 N 0.60 0.41 -0.03 1.25 -1.24 -0.81 -3.47 115.58 112.29 1xvh h ASN 127 Ca 0.11 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1xvh h ASN 127 Cb 0.48 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.42 1xvh h ASN 127 CO 0.03 0.59 0.00 0.35 -1.29 0.00 0.00 177.43 177.10