#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 0.36 1.09 0.00 -1.26 -0.74 105.19 104.64 1xvh n GLY 5 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 1.07 -0.41 1.61 -0.26 -2.02 -1.49 115.58 114.07 1xvh h ASN 6 Ca 0.00 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 1xvh h ASN 6 Cb 0.00 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.98 1xvh h ASN 6 CO 0.00 0.77 0.13 0.25 -1.06 0.00 0.00 177.43 177.51 1xvh h LEU 7 N 1.26 0.60 -1.05 1.61 5.85 -1.31 -2.80 115.31 119.48 1xvh h LEU 7 Ca 0.36 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1xvh h LEU 7 Cb -0.11 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.70 1xvh h LEU 7 CO -0.09 0.65 0.63 -0.61 -0.34 0.00 0.00 178.44 178.69 1xvh h GLN 8 N 0.52 1.09 -0.80 1.25 5.75 -1.73 -1.36 115.11 119.83 1xvh h GLN 8 Ca 0.13 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 58.65 1xvh h GLN 8 Cb 0.27 -0.25 -0.07 0.00 1.07 0.00 0.00 27.48 28.50 1xvh h GLN 8 CO -0.00 0.72 0.47 1.15 -2.65 0.00 0.00 178.83 178.51 1xvh h THR 9 N 1.12 0.95 -0.19 2.39 2.02 -1.01 -1.51 112.91 116.68 1xvh h THR 9 Ca 0.42 -0.28 -0.22 0.00 0.77 0.00 0.00 66.41 67.11 1xvh h THR 9 Cb 0.20 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1xvh h THR 9 CO -0.17 0.15 -0.72 0.00 0.37 0.00 0.00 175.52 175.14 1xvh h ALA 10 N 1.42 0.35 -0.64 6.16 0.00 -1.18 -2.94 119.26 122.43 1xvh h ALA 10 Ca 0.37 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1xvh h ALA 10 Cb 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1xvh h ALA 10 CO -0.22 0.68 0.28 0.82 0.00 0.00 0.00 179.25 180.81 1xvh h ILE 11 N 0.58 1.23 0.00 0.00 2.04 -1.03 -2.80 117.51 117.53 1xvh h ILE 11 Ca -0.04 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1xvh h ILE 11 Cb 1.35 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1xvh h ILE 11 CO 0.15 0.28 0.00 0.59 0.00 0.00 0.00 178.15 179.17 1xvh n ASN 12 N -4.45 0.61 -0.69 1.72 3.02 -0.59 -2.45 115.26 112.43 1xvh n ASN 12 Ca 0.04 0.63 0.10 0.00 -0.03 0.00 0.00 54.58 55.33 1xvh n ASN 12 Cb 0.15 -0.77 0.32 0.00 -0.61 0.00 0.00 39.78 38.87 1xvh n ASN 12 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1xvh n ASP 13 N -2.16 2.07 -0.05 6.41 2.03 -1.05 -4.41 116.55 119.39 1xvh n ASP 13 Ca 0.03 -1.80 -0.11 0.00 0.52 0.00 0.00 54.79 53.43 1xvh n ASP 13 Cb 0.25 -0.15 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 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 2.66 0.26 -0.53 -0.67 3.64 -1.57 -1.67 116.57 118.69 1xvh h LYS 14 Ca 0.00 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1xvh h LYS 14 Cb 0.59 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1xvh h LYS 14 CO 0.00 0.37 0.14 0.66 -2.27 0.00 0.00 179.45 178.34 1xvh h SER 15 N 0.10 0.79 -0.33 4.20 4.64 -1.83 -0.09 113.55 121.03 1xvh h SER 15 Ca 0.05 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 1xvh h SER 15 Cb 0.21 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1xvh h SER 15 CO -0.00 0.81 -0.00 1.23 -0.87 0.00 0.00 176.83 178.00 1xvh h GLY 16 N 0.74 0.74 0.95 -0.77 0.00 -1.85 -2.42 103.07 100.45 1xvh h GLY 16 Ca 0.17 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1xvh h GLY 16 CO 0.00 0.44 0.11 -0.84 0.00 0.00 0.00 176.54 176.25 1xvh h THR 17 N 0.65 1.23 0.00 4.70 2.02 -0.72 -2.95 112.91 117.84 1xvh h THR 17 Ca 0.13 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 1xvh h THR 17 Cb 0.41 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1xvh h THR 17 CO 0.02 0.28 -0.02 -0.07 0.37 0.00 0.00 175.52 176.09 1xvh h LEU 18 N 0.55 0.00 -0.89 2.58 3.38 -0.82 -1.24 115.31 118.88 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 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1xvh h LEU 18 CO 0.00 0.02 -0.11 0.00 0.09 0.00 0.00 178.44 178.45 1xvh n ALA 19 N -2.11 2.77 -2.47 1.53 0.00 -0.93 -4.63 120.51 114.68 1xvh n ALA 19 Ca 0.00 -0.46 -0.34 0.00 0.00 0.00 0.00 53.44 52.65 1xvh n ALA 19 Cb 0.30 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.19 6.67 0.47 0.00 1.04 -0.47 -4.95 113.70 114.28 1xvh s SER 20 Ca 0.32 0.89 0.13 0.00 0.48 0.00 0.00 55.95 57.78 1xvh s SER 20 Cb 0.20 -2.22 1.10 0.00 0.10 0.00 0.00 66.02 65.21 1xvh s SER 20 CO 0.40 0.05 2.07 -0.61 0.98 0.00 0.00 173.24 176.14 1xvh h GLN 21 N 3.17 0.26 -0.26 4.02 -0.00 -1.93 -0.75 115.11 119.62 1xvh h GLN 21 Ca -0.48 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.10 1xvh h GLN 21 Cb 1.18 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.59 1xvh h GLN 21 CO 0.68 0.17 -0.07 -0.97 0.00 0.00 0.00 178.83 178.63 1xvh h ASN 22 N 0.26 0.38 0.13 -0.69 -1.24 -1.90 -1.49 115.58 111.04 1xvh h ASN 22 Ca 0.13 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 1xvh h ASN 22 Cb 0.18 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1xvh h ASN 22 CO -0.03 0.50 -0.06 0.15 -1.29 0.00 0.00 177.43 176.71 1xvh h PHE 23 N 0.39 -0.16 -0.78 0.67 3.57 -1.65 0.13 116.94 119.10 1xvh h PHE 23 Ca 0.08 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.67 1xvh h PHE 23 Cb 0.37 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1xvh h PHE 23 CO 0.01 0.17 0.51 -0.07 -2.23 0.00 0.00 178.31 176.70 1xvh h LEU 24 N -0.98 0.66 -1.99 0.59 3.38 -0.99 -1.11 115.31 114.87 1xvh h LEU 24 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xvh h LEU 24 Cb 0.40 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xvh h LEU 24 CO 0.03 0.40 0.00 0.47 0.09 0.00 0.00 178.44 179.43 1xvh n ASP 25 N -4.50 3.01 -4.71 -0.43 8.00 -0.57 -4.96 116.55 112.39 1xvh n ASP 25 Ca 0.13 -1.94 -0.35 0.00 0.71 0.00 0.00 54.79 53.34 1xvh n ASP 25 Cb 0.30 -0.13 0.10 0.00 -0.02 0.00 0.00 41.12 41.37 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 -1.73 2.08 0.45 2.24 0.00 -0.42 -4.20 121.76 120.18 1xvh s ALA 26 Ca 0.34 1.02 -0.23 0.00 0.00 0.00 0.00 51.96 53.10 1xvh s ALA 26 Cb 0.21 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 1xvh s ALA 26 CO 0.31 -1.98 0.92 -0.25 0.00 0.00 0.00 175.76 174.76 1xvh n ASP 27 N -2.66 0.82 -0.33 0.00 8.00 -1.26 -4.70 116.55 116.42 1xvh n ASP 27 Ca 0.15 0.97 0.02 0.00 0.71 0.00 0.00 54.79 56.64 1xvh n ASP 27 Cb 0.49 -1.32 0.19 0.00 -0.02 0.00 0.00 41.12 40.47 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 1.24 1.12 -0.37 -1.24 4.81 -1.96 -0.71 114.58 117.46 1xvh h GLU 28 Ca -0.45 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.67 1xvh h GLU 28 Cb 1.35 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1xvh h GLU 28 CO 0.55 0.74 0.03 -0.56 -0.73 0.00 0.00 179.01 179.04 1xvh h GLN 29 N 1.15 0.57 -0.12 1.92 -0.00 -1.99 -0.28 115.11 116.35 1xvh h GLN 29 Ca 0.39 -0.12 -0.20 0.00 -0.00 0.00 0.00 58.65 58.72 1xvh h GLN 29 Cb 0.09 -0.09 0.00 0.00 -0.00 0.00 0.00 27.48 27.49 1xvh h GLN 29 CO -0.13 0.58 -0.75 0.87 -0.00 0.00 0.00 178.83 179.39 1xvh h LYS 30 N 0.55 0.62 -0.28 0.06 1.57 -1.58 -0.64 116.57 116.87 1xvh h LYS 30 Ca 0.12 -0.50 0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1xvh h LYS 30 Cb 0.31 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1xvh h LYS 30 CO 0.01 1.12 0.15 0.00 -0.57 0.00 0.00 179.45 180.15 1xvh h ARG 31 N 0.42 0.30 -0.41 3.15 3.08 -0.72 -2.18 114.38 118.02 1xvh h ARG 31 Ca -0.04 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1xvh h ARG 31 Cb 1.35 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 1xvh h ARG 31 CO 0.14 0.20 0.26 -0.91 -1.07 0.00 0.00 179.97 178.59 1xvh h ASN 32 N 0.31 0.43 -0.63 7.04 2.35 -0.97 -0.78 115.58 123.33 1xvh h ASN 32 Ca 0.11 -0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.94 1xvh h ASN 32 Cb 0.02 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.23 1xvh h ASN 32 CO -0.07 0.31 0.29 0.00 -1.65 0.00 0.00 177.43 176.31 1xvh h ALA 33 N 1.17 0.83 -0.03 -0.83 0.00 -0.98 0.11 119.26 119.53 1xvh h ALA 33 Ca 0.16 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1xvh h ALA 33 Cb -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xvh h ALA 33 CO -0.05 -0.10 0.01 -0.92 0.00 0.00 0.00 179.25 178.19 1xvh h TYR 34 N 0.52 0.05 -0.69 0.00 3.20 -1.11 -1.91 116.97 117.03 1xvh h TYR 34 Ca 0.30 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.17 1xvh h TYR 34 Cb 0.30 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1xvh h TYR 34 CO -0.12 0.27 0.46 -0.91 -1.64 0.00 0.00 178.16 176.21 1xvh h ASN 35 N -0.18 0.79 -0.47 -2.11 -0.26 -0.74 -1.07 115.58 111.54 1xvh h ASN 35 Ca 0.01 -0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 55.65 1xvh h ASN 35 Cb 0.24 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 1xvh h ASN 35 CO 0.00 0.57 0.00 1.56 -1.06 0.00 0.00 177.43 178.50 1xvh h GLN 36 N 0.93 0.89 -0.56 0.81 4.20 -0.75 -2.00 115.11 118.63 1xvh h GLN 36 Ca 0.26 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1xvh h GLN 36 Cb -0.10 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 1xvh h GLN 36 CO -0.06 0.88 0.22 0.00 -0.67 0.00 0.00 178.83 179.21 1xvh h ALA 37 N 1.17 0.72 -0.65 3.87 0.00 -0.93 -1.15 119.26 122.29 1xvh h ALA 37 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xvh h ALA 37 Cb 0.49 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1xvh h ALA 37 CO 0.02 0.34 0.31 0.28 0.00 0.00 0.00 179.25 180.20 1xvh h VAL 38 N 0.76 1.22 -0.64 0.00 2.07 -1.10 -1.76 116.25 116.80 1xvh h VAL 38 Ca 0.19 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1xvh h VAL 38 Cb 0.20 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1xvh h VAL 38 CO -0.01 0.26 0.20 0.28 0.02 0.00 0.00 177.57 178.31 1xvh h SER 39 N 0.90 0.93 -0.95 0.57 0.02 -1.21 0.26 113.55 114.07 1xvh h SER 39 Ca 0.22 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1xvh h SER 39 Cb 0.13 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.38 1xvh h SER 39 CO -0.03 0.89 0.57 0.00 -1.14 0.00 0.00 176.83 177.12 1xvh h ALA 40 N 1.07 1.21 -0.53 3.77 0.00 -1.11 -0.50 119.26 123.18 1xvh h ALA 40 Ca 0.21 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1xvh h ALA 40 Cb 0.29 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xvh h ALA 40 CO -0.01 0.67 -0.14 0.00 0.00 0.00 0.00 179.25 179.77 1xvh h ALA 41 N 1.31 0.74 -0.66 0.00 0.00 -0.93 -2.87 119.26 116.85 1xvh h ALA 41 Ca 0.34 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1xvh h ALA 41 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1xvh h ALA 41 CO -0.06 0.68 0.16 0.93 0.00 0.00 0.00 179.25 180.95 1xvh h GLU 42 N 0.90 1.04 -0.44 0.00 5.08 -0.66 -0.09 114.58 120.41 1xvh h GLU 42 Ca 0.13 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1xvh h GLU 42 Cb 0.72 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1xvh h GLU 42 CO 0.05 0.92 0.22 1.15 -1.00 0.00 0.00 179.01 180.35 1xvh h THR 43 N 0.99 0.96 0.27 1.13 2.02 -0.99 -2.99 112.91 114.30 1xvh h THR 43 Ca 0.21 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1xvh h THR 43 Cb 0.35 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1xvh h THR 43 CO 0.00 0.08 -0.13 0.40 0.37 0.00 0.00 175.52 176.24 1xvh h ILE 44 N 0.43 0.78 0.00 3.11 2.04 -1.25 -3.52 117.51 119.11 1xvh h ILE 44 Ca 0.19 -0.39 -0.18 0.00 1.00 0.00 0.00 64.86 65.48 1xvh h ILE 44 Cb 0.10 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1xvh h ILE 44 CO -0.14 0.08 1.54 0.18 0.00 0.00 0.00 178.15 179.81 1xvh n LEU 45 N -5.16 2.52 0.00 1.44 7.99 -0.08 -5.12 117.00 118.59 1xvh n LEU 45 Ca -0.10 -1.90 0.00 0.00 -0.01 0.00 0.00 56.01 54.00 1xvh n LEU 45 Cb 0.22 -0.75 0.00 0.00 -0.11 0.00 0.00 43.42 42.78 1xvh n LEU 45 CO 0.33 -0.12 0.00 0.00 -1.51 0.00 0.00 177.39 176.09 1xvh n ALA 54 N 4.18 -0.46 -0.26 -1.18 0.00 -1.26 -5.03 120.51 116.49 1xvh n ALA 54 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.70 1xvh n ALA 54 Cb 0.12 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.74 1xvh n ALA 54 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xvh h LYS 55 N 0.00 0.59 -0.88 0.00 1.63 -2.05 -2.28 116.57 113.58 1xvh h LYS 55 Ca 0.00 -0.04 0.08 0.00 -0.85 0.00 0.00 60.65 59.85 1xvh h LYS 55 Cb 0.00 -0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 31.43 1xvh h LYS 55 CO 0.00 0.39 0.54 1.79 -3.45 0.00 0.00 179.45 178.72 1xvh h THR 56 N 0.61 0.99 -0.38 1.00 1.35 -2.05 0.16 112.91 114.59 1xvh h THR 56 Ca 0.39 -0.32 -0.16 0.00 -0.55 0.00 0.00 66.41 65.77 1xvh h THR 56 Cb 0.47 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.86 1xvh h THR 56 CO -0.31 0.17 -0.39 0.00 -0.25 0.00 0.00 175.52 174.74 1xvh h ALA 57 N 1.44 0.56 -0.29 6.62 0.00 -1.90 -0.87 119.26 124.83 1xvh h ALA 57 Ca 0.40 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1xvh h ALA 57 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xvh h ALA 57 CO -0.21 0.67 0.01 0.28 0.00 0.00 0.00 179.25 180.00 1xvh h VAL 58 N 0.75 1.25 -0.63 0.00 2.07 -1.09 -1.92 116.25 116.68 1xvh h VAL 58 Ca 0.06 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1xvh h VAL 58 Cb 0.99 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1xvh h VAL 58 CO 0.10 0.29 0.41 -0.33 0.02 0.00 0.00 177.57 178.06 1xvh h GLU 59 N 0.29 0.81 -0.49 1.57 5.08 -0.59 -1.53 114.58 119.72 1xvh h GLU 59 Ca 0.08 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1xvh h GLU 59 Cb 0.40 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1xvh h GLU 59 CO 0.01 0.54 0.04 1.96 -1.00 0.00 0.00 179.01 180.56 1xvh h GLN 60 N 0.84 0.84 -0.65 2.33 4.20 -1.15 -1.35 115.11 120.18 1xvh h GLN 60 Ca 0.23 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1xvh h GLN 60 Cb -0.08 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 1xvh h GLN 60 CO -0.06 0.87 0.43 0.00 -0.67 0.00 0.00 178.83 179.40 1xvh h ALA 61 N 0.95 0.83 -0.12 3.87 0.00 -1.02 0.09 119.26 123.86 1xvh h ALA 61 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xvh h ALA 61 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xvh h ALA 61 CO 0.02 0.24 0.05 1.25 0.00 0.00 0.00 179.25 180.81 1xvh h LEU 62 N 0.87 0.17 -0.61 0.00 5.85 -1.18 -1.34 115.31 119.07 1xvh h LEU 62 Ca 0.24 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.90 1xvh h LEU 62 Cb -0.09 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 1xvh h LEU 62 CO -0.06 0.28 0.23 0.78 -0.34 0.00 0.00 178.44 179.34 1xvh h ASN 63 N 0.05 0.24 -0.57 1.25 4.21 -0.99 0.22 115.58 119.99 1xvh h ASN 63 Ca 0.04 0.08 -0.07 0.00 1.21 0.00 0.00 56.30 57.55 1xvh h ASN 63 Cb 0.16 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.39 1xvh h ASN 63 CO -0.00 0.14 0.08 0.78 -1.29 0.00 0.00 177.43 177.14 1xvh h ASN 64 N 0.42 0.94 0.02 5.81 2.35 -0.74 -0.41 115.58 123.98 1xvh h ASN 64 Ca 0.31 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1xvh h ASN 64 Cb 0.37 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1xvh h ASN 64 CO -0.30 0.96 -0.01 0.58 -1.65 0.00 0.00 177.43 177.00 1xvh h VAL 65 N 0.93 1.19 -0.66 2.81 2.07 -0.76 -1.99 116.25 119.84 1xvh h VAL 65 Ca 0.18 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1xvh h VAL 65 Cb 0.43 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1xvh h VAL 65 CO 0.01 0.17 0.43 0.78 0.02 0.00 0.00 177.57 178.99 1xvh h ASN 66 N -0.33 0.76 -0.55 0.57 2.35 -0.81 -0.71 115.58 116.88 1xvh h ASN 66 Ca -0.00 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1xvh h ASN 66 Cb 0.31 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1xvh h ASN 66 CO 0.01 0.56 0.12 0.78 -1.65 0.00 0.00 177.43 177.25 1xvh h ASN 67 N 0.90 0.84 -0.55 5.81 2.35 -1.11 -1.36 115.58 122.46 1xvh h ASN 67 Ca 0.24 -0.24 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1xvh h ASN 67 Cb -0.09 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 1xvh h ASN 67 CO -0.05 0.86 0.09 0.00 -1.65 0.00 0.00 177.43 176.68 1xvh h ALA 68 N 1.01 1.04 -0.24 -0.83 0.00 -1.07 -1.50 119.26 117.67 1xvh h ALA 68 Ca 0.17 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1xvh h ALA 68 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xvh h ALA 68 CO 0.00 0.62 -0.07 -0.22 0.00 0.00 0.00 179.25 179.58 1xvh h LYS 69 N 0.90 0.47 -0.01 0.00 3.64 -1.05 -2.75 116.57 117.78 1xvh h LYS 69 Ca 0.18 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1xvh h LYS 69 Cb 0.41 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1xvh h LYS 69 CO 0.01 0.71 -0.22 1.25 -2.27 0.00 0.00 179.45 178.93 1xvh h HIS 70 N 0.21 0.02 0.00 1.91 2.76 -1.18 -2.59 115.15 116.28 1xvh h HIS 70 Ca 0.06 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1xvh h HIS 70 Cb 0.54 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.49 1xvh h HIS 70 CO 0.05 0.23 0.00 0.00 -1.30 0.00 0.00 177.93 176.91 1xvh h ALA 71 N 1.77 1.00 -2.71 5.26 0.00 -0.99 -3.45 119.26 120.13 1xvh h ALA 71 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1xvh h ALA 71 Cb 0.39 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.28 1xvh h ALA 71 CO 0.03 0.00 0.70 1.28 0.00 0.00 0.00 179.25 181.26 1xvh n LEU 72 N -2.90 4.15 -1.20 0.00 4.77 -0.98 -4.91 117.00 115.93 1xvh n LEU 72 Ca 0.02 1.20 0.04 0.00 -0.03 0.00 0.00 56.01 57.24 1xvh n LEU 72 Cb 0.37 -1.55 0.07 0.00 -2.33 0.00 0.00 43.42 39.97 1xvh n LEU 72 CO 0.28 -0.11 0.15 -0.46 -1.33 0.00 0.00 177.39 175.93 1xvh n ASN 73 N 1.07 1.17 -0.27 -1.43 6.94 -1.24 -4.86 115.26 116.63 1xvh n ASN 73 Ca 0.05 -2.52 0.03 0.00 -0.02 0.00 0.00 54.58 52.11 1xvh n ASN 73 Cb 0.37 -0.36 0.16 0.00 -2.36 0.00 0.00 39.78 37.59 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 0.95 1.21 0.90 4.83 0.00 -0.91 -0.64 103.07 109.40 1xvh h GLY 74 Ca -0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1xvh h GLY 74 CO 0.07 0.08 -0.23 -0.84 0.00 0.00 0.00 176.54 175.62 1xvh h THR 75 N 0.70 0.52 -0.78 4.70 2.02 -1.79 0.23 112.91 118.51 1xvh h THR 75 Ca 0.39 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.64 1xvh h THR 75 Cb 0.40 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 1xvh h THR 75 CO -0.27 0.00 0.45 -0.61 0.37 0.00 0.00 175.52 175.47 1xvh h GLN 76 N -0.58 0.78 -0.95 6.66 4.15 -1.89 -1.45 115.11 121.83 1xvh h GLN 76 Ca -0.04 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1xvh h GLN 76 Cb 0.47 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 1xvh h GLN 76 CO 0.04 0.51 0.60 -0.91 -1.93 0.00 0.00 178.83 177.15 1xvh h ASN 77 N 0.80 1.11 0.23 -0.69 2.35 -0.65 -0.37 115.58 118.36 1xvh h ASN 77 Ca 0.36 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1xvh h ASN 77 Cb 0.26 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1xvh h ASN 77 CO -0.21 0.83 -0.11 0.25 -1.65 0.00 0.00 177.43 176.54 1xvh h LEU 78 N 1.30 -0.26 -1.07 1.61 5.85 -0.58 -0.91 115.31 121.25 1xvh h LEU 78 Ca 0.34 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1xvh h LEU 78 Cb -0.11 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1xvh h LEU 78 CO -0.07 -0.18 0.59 0.78 -0.34 0.00 0.00 178.44 179.22 1xvh h ASN 79 N -0.31 1.07 -0.45 1.25 2.35 -0.91 0.29 115.58 118.87 1xvh h ASN 79 Ca -0.03 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1xvh h ASN 79 Cb 0.24 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1xvh h ASN 79 CO 0.05 0.79 0.29 0.78 -1.65 0.00 0.00 177.43 177.69 1xvh h ASN 80 N 1.25 0.52 -0.65 5.81 2.35 -1.02 -1.93 115.58 121.91 1xvh h ASN 80 Ca 0.33 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 1xvh h ASN 80 Cb -0.12 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1xvh h ASN 80 CO -0.07 0.39 0.33 0.00 -1.65 0.00 0.00 177.43 176.43 1xvh h ALA 81 N 1.16 0.83 -0.54 -0.83 0.00 -0.67 -0.48 119.26 118.74 1xvh h ALA 81 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1xvh h ALA 81 Cb -0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1xvh h ALA 81 CO -0.03 0.37 0.31 0.87 0.00 0.00 0.00 179.25 180.77 1xvh h LYS 82 N 0.89 0.59 -0.05 0.00 1.57 -0.76 -1.14 116.57 117.67 1xvh h LYS 82 Ca 0.22 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 1xvh h LYS 82 Cb 0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1xvh h LYS 82 CO -0.03 0.39 -0.64 0.37 -0.57 0.00 0.00 179.45 178.97 1xvh h GLN 83 N 0.61 0.19 -0.61 3.15 5.75 -1.07 -1.24 115.11 121.88 1xvh h GLN 83 Ca 0.22 -0.14 -0.10 0.00 -0.15 0.00 0.00 58.65 58.49 1xvh h GLN 83 Cb 0.06 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1xvh h GLN 83 CO -0.12 0.76 -0.00 0.00 -2.65 0.00 0.00 178.83 176.82 1xvh h ALA 84 N 1.21 0.83 -0.12 3.38 0.00 -0.89 -0.30 119.26 123.37 1xvh h ALA 84 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xvh h ALA 84 Cb 1.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1xvh h ALA 84 CO 0.10 0.67 0.08 0.00 0.00 0.00 0.00 179.25 180.10 1xvh h ALA 85 N 0.99 0.15 -0.73 0.00 0.00 -0.99 -2.16 119.26 116.53 1xvh h ALA 85 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xvh h ALA 85 Cb 0.57 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1xvh h ALA 85 CO 0.03 -0.36 0.47 0.82 0.00 0.00 0.00 179.25 180.21 1xvh h ILE 86 N 0.15 1.19 -0.45 0.00 2.04 -1.03 -0.14 117.51 119.29 1xvh h ILE 86 Ca 0.04 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1xvh h ILE 86 Cb -0.01 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1xvh h ILE 86 CO -0.01 0.19 0.25 0.74 0.00 0.00 0.00 178.15 179.32 1xvh h THR 87 N 0.99 1.16 -0.81 -0.27 2.02 -1.04 0.13 112.91 115.10 1xvh h THR 87 Ca 0.27 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1xvh h THR 87 Cb -0.09 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1xvh h THR 87 CO -0.05 0.17 0.45 0.00 0.37 0.00 0.00 175.52 176.45 1xvh h ALA 88 N 1.10 1.28 -0.31 6.16 0.00 -0.99 -1.19 119.26 125.30 1xvh h ALA 88 Ca 0.16 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1xvh h ALA 88 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1xvh h ALA 88 CO -0.03 0.59 -0.03 0.82 0.00 0.00 0.00 179.25 180.61 1xvh h ILE 89 N 1.12 1.27 -0.69 0.00 2.04 -0.46 -2.59 117.51 118.19 1xvh h ILE 89 Ca 0.29 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 1xvh h ILE 89 Cb 0.01 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1xvh h ILE 89 CO -0.05 0.33 0.27 0.78 0.00 0.00 0.00 178.15 179.48 1xvh h ASN 90 N 0.35 0.94 -0.11 1.72 2.35 -0.50 -2.04 115.58 118.29 1xvh h ASN 90 Ca 0.08 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1xvh h ASN 90 Cb 0.49 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1xvh h ASN 90 CO 0.02 0.84 0.00 0.61 -1.65 0.00 0.00 177.43 177.26 1xvh n GLY 91 N -0.95 -0.37 3.40 2.83 0.00 -0.47 -4.71 105.19 104.92 1xvh n GLY 91 Ca 0.06 -0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 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 3.56 0.26 4.61 0.00 -0.77 -4.89 121.76 122.71 1xvh s ALA 92 Ca 0.07 -2.73 0.26 0.00 0.00 0.00 0.00 51.96 49.57 1xvh s ALA 92 Cb 0.04 -3.77 1.18 0.00 0.00 0.00 0.00 23.12 20.58 1xvh s ALA 92 CO 0.05 -2.62 1.94 0.66 0.00 0.00 0.00 175.76 175.79 1xvh h SER 93 N 8.68 0.00 0.79 0.00 4.64 -1.86 -2.94 113.55 122.86 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 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1xvh h SER 93 CO 1.02 0.17 -0.34 0.47 -0.87 0.00 0.00 176.83 177.28 1xvh n ASP 94 N -3.48 0.42 -4.78 4.97 8.00 -1.26 -4.86 116.55 115.57 1xvh n ASP 94 Ca -0.01 0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 1xvh n ASP 94 Cb 0.34 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.32 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 -3.35 4.47 0.73 0.64 1.43 -1.11 -5.02 118.68 116.46 1xvh s LEU 95 Ca 0.11 1.79 -0.07 0.00 -1.03 0.00 0.00 54.13 54.94 1xvh s LEU 95 Cb 0.17 -3.74 0.09 0.00 0.03 0.00 0.00 46.19 42.73 1xvh s LEU 95 CO 0.65 0.05 1.04 0.54 0.23 0.00 0.00 176.35 178.86 1xvh s ASN 96 N -1.43 4.55 0.28 2.29 2.20 -1.26 -4.84 114.94 116.73 1xvh s ASN 96 Ca 0.45 0.28 -0.03 0.00 -0.94 0.00 0.00 52.86 52.61 1xvh s ASN 96 Cb -0.21 -0.82 0.38 0.00 -2.00 0.00 0.00 41.25 38.60 1xvh s ASN 96 CO 0.26 -1.76 1.95 -0.61 -2.94 0.00 0.00 177.10 174.00 1xvh h GLN 97 N -0.69 1.17 -0.15 3.55 5.75 -1.99 -0.39 115.11 122.36 1xvh h GLN 97 Ca -0.43 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 57.99 1xvh h GLN 97 Cb 1.30 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 1xvh h GLN 97 CO 0.54 0.77 0.07 -0.22 -2.65 0.00 0.00 178.83 177.34 1xvh h LYS 98 N 1.20 0.23 0.09 1.69 3.64 -1.99 -0.87 116.57 120.56 1xvh h LYS 98 Ca 0.33 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1xvh h LYS 98 Cb -0.12 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1xvh h LYS 98 CO -0.08 0.29 -0.04 1.96 -2.27 0.00 0.00 179.45 179.31 1xvh h GLN 99 N 0.11 -0.11 -0.54 1.90 4.20 -1.85 -1.77 115.11 117.05 1xvh h GLN 99 Ca 0.05 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.88 1xvh h GLN 99 Cb 0.14 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 27.85 1xvh h GLN 99 CO -0.01 0.12 -0.08 0.87 -0.67 0.00 0.00 178.83 179.07 1xvh h LYS 100 N -0.34 0.04 -0.76 1.46 1.57 -1.07 -1.68 116.57 115.79 1xvh h LYS 100 Ca -0.01 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1xvh h LYS 100 Cb 0.29 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 1xvh h LYS 100 CO 0.02 0.03 0.48 -0.44 -0.57 0.00 0.00 179.45 178.97 1xvh h ASP 101 N 0.04 0.78 -0.41 0.86 3.32 -1.08 0.68 116.42 120.62 1xvh h ASP 101 Ca 0.27 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 1xvh h ASP 101 Cb 0.42 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1xvh h ASP 101 CO -0.52 0.54 0.10 0.00 -1.72 0.00 0.00 179.24 177.64 1xvh h ALA 102 N 1.33 0.54 -0.37 3.45 0.00 -0.85 -1.58 119.26 121.77 1xvh h ALA 102 Ca 0.31 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1xvh h ALA 102 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xvh h ALA 102 CO -0.12 0.21 -0.25 -0.07 0.00 0.00 0.00 179.25 179.02 1xvh h LEU 103 N 0.52 0.77 -0.67 0.00 3.38 -1.07 -2.13 115.31 116.10 1xvh h LEU 103 Ca 0.13 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1xvh h LEU 103 Cb 0.31 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1xvh h LEU 103 CO 0.00 0.98 0.25 0.11 0.09 0.00 0.00 178.44 179.88 1xvh h LYS 104 N 0.65 1.02 -0.36 1.13 1.57 -0.74 -0.87 116.57 118.97 1xvh h LYS 104 Ca 0.08 -0.19 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1xvh h LYS 104 Cb 0.76 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1xvh h LYS 104 CO 0.06 0.86 0.09 0.00 -0.57 0.00 0.00 179.45 179.88 1xvh h ALA 105 N 1.11 0.40 -0.47 3.86 0.00 -1.13 -0.18 119.26 122.85 1xvh h ALA 105 Ca 0.22 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1xvh h ALA 105 Cb 0.23 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1xvh h ALA 105 CO -0.02 -0.32 0.22 1.96 0.00 0.00 0.00 179.25 181.10 1xvh h GLN 106 N 0.21 0.42 0.05 0.00 4.20 -1.19 -1.79 115.11 117.01 1xvh h GLN 106 Ca 0.17 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1xvh h GLN 106 Cb 0.19 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xvh h GLN 106 CO -0.21 0.28 -0.02 0.00 -0.67 0.00 0.00 178.83 178.20 1xvh h ALA 107 N 1.27 -0.07 0.00 3.87 0.00 -0.76 -2.59 119.26 120.97 1xvh h ALA 107 Ca 0.21 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1xvh h ALA 107 Cb 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xvh h ALA 107 CO -0.17 -0.51 -0.17 -0.91 0.00 0.00 0.00 179.25 177.50 1xvh h ASN 108 N -0.12 0.00 0.31 0.00 2.35 -0.98 -2.54 115.58 114.59 1xvh h ASN 108 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1xvh h ASN 108 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1xvh h ASN 108 CO 0.01 0.17 -0.27 0.61 -1.65 0.00 0.00 177.43 176.30 1xvh n GLY 109 N -0.78 -0.77 3.67 2.83 0.00 -0.68 -4.96 105.19 104.51 1xvh n GLY 109 Ca -0.02 -0.37 -0.46 0.00 0.00 0.00 0.00 46.02 45.17 1xvh n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xvh n ALA 110 N -0.84 1.40 0.45 4.61 0.00 -0.96 -4.88 120.51 120.29 1xvh n ALA 110 Ca 0.11 0.43 0.11 0.00 0.00 0.00 0.00 53.44 54.09 1xvh n ALA 110 Cb 0.34 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.36 1xvh n ALA 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xvh n GLN 111 N 3.79 0.36 -4.10 0.00 3.00 -1.26 -4.93 117.38 114.24 1xvh n GLN 111 Ca 0.17 -0.04 -0.14 0.00 -0.01 0.00 0.00 57.00 56.99 1xvh n GLN 111 Cb 0.29 -1.58 -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 -3.26 0.64 0.29 -1.09 1.81 -1.26 -5.01 118.95 111.07 1xvh s ARG 112 Ca 0.01 -0.91 0.04 0.00 -1.72 0.00 0.00 55.73 53.16 1xvh s ARG 112 Cb 0.14 -0.38 0.69 0.00 -0.45 0.00 0.00 34.95 34.96 1xvh s ARG 112 CO 0.84 0.06 1.77 0.28 -0.68 0.00 0.00 175.30 177.57 1xvh h VAL 113 N 4.16 0.70 -0.01 3.52 2.07 -1.91 -1.86 116.25 122.92 1xvh h VAL 113 Ca -0.37 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1xvh h VAL 113 Cb 1.19 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1xvh h VAL 113 CO 0.45 0.13 -0.24 0.77 0.02 0.00 0.00 177.57 178.70 1xvh h SER 114 N 0.71 0.02 -0.24 0.57 4.64 -1.98 -0.26 113.55 117.00 1xvh h SER 114 Ca 0.55 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.69 1xvh h SER 114 Cb 0.85 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1xvh h SER 114 CO -0.39 0.26 -0.54 0.78 -0.87 0.00 0.00 176.83 176.07 1xvh h ASN 115 N 0.02 0.90 -0.63 4.97 -0.26 -1.75 -0.62 115.58 118.20 1xvh h ASN 115 Ca 0.00 -0.55 -0.09 0.00 -0.56 0.00 0.00 56.30 55.09 1xvh h ASN 115 Cb 0.44 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 1xvh h ASN 115 CO 0.03 1.29 0.03 0.00 -1.06 0.00 0.00 177.43 177.72 1xvh h ALA 116 N 0.64 0.85 -0.66 -0.83 0.00 -1.26 -1.79 119.26 116.21 1xvh h ALA 116 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1xvh h ALA 116 Cb 1.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1xvh h ALA 116 CO 0.12 0.68 0.34 1.96 0.00 0.00 0.00 179.25 182.35 1xvh h GLN 117 N 1.01 0.93 -0.47 0.00 4.20 -0.98 -1.99 115.11 117.81 1xvh h GLN 117 Ca 0.18 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1xvh h GLN 117 Cb 0.53 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1xvh h GLN 117 CO 0.03 0.70 0.06 -0.44 -0.67 0.00 0.00 178.83 178.51 1xvh h ASP 118 N 0.93 0.76 -0.44 1.46 3.32 -0.93 -1.65 116.42 119.87 1xvh h ASP 118 Ca 0.23 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 57.04 1xvh h ASP 118 Cb 0.06 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1xvh h ASP 118 CO -0.03 0.84 0.23 0.58 -1.72 0.00 0.00 179.24 179.13 1xvh h VAL 119 N 0.65 0.99 -0.34 -1.35 2.07 -1.21 0.47 116.25 117.55 1xvh h VAL 119 Ca 0.14 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1xvh h VAL 119 Cb 0.41 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1xvh h VAL 119 CO 0.01 0.08 0.10 -0.61 0.02 0.00 0.00 177.57 177.17 1xvh h GLN 120 N 0.46 0.22 -0.22 1.57 4.15 -1.16 -0.55 115.11 119.58 1xvh h GLN 120 Ca 0.18 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.62 1xvh h GLN 120 Cb 0.07 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1xvh h GLN 120 CO -0.11 0.15 0.06 1.25 -1.93 0.00 0.00 178.83 178.24 1xvh h HIS 121 N 0.23 0.10 -0.79 3.99 2.76 -1.06 -2.04 115.15 118.34 1xvh h HIS 121 Ca 0.15 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1xvh h HIS 121 Cb 0.15 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.05 1xvh h HIS 121 CO -0.16 0.04 0.45 -0.91 -1.30 0.00 0.00 177.93 176.06 1xvh h ASN 122 N 0.15 0.98 -0.59 3.26 2.35 -0.71 0.12 115.58 121.14 1xvh h ASN 122 Ca 0.10 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1xvh h ASN 122 Cb 0.08 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1xvh h ASN 122 CO -0.12 0.78 0.39 0.00 -1.65 0.00 0.00 177.43 176.83 1xvh h ALA 123 N 1.24 0.75 -0.17 -0.83 0.00 -0.93 -0.00 119.26 119.31 1xvh h ALA 123 Ca 0.28 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1xvh h ALA 123 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1xvh h ALA 123 CO -0.05 0.18 -0.12 1.15 0.00 0.00 0.00 179.25 180.41 1xvh h THR 124 N 0.79 1.33 -0.42 0.00 2.02 -1.00 0.67 112.91 116.30 1xvh h THR 124 Ca 0.22 -1.23 0.03 0.00 0.77 0.00 0.00 66.41 66.19 1xvh h THR 124 Cb -0.09 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1xvh h THR 124 CO -0.05 0.37 0.21 -0.08 0.37 0.00 0.00 175.52 176.34 1xvh h GLU 125 N 0.03 0.41 -0.67 6.66 4.57 -0.74 -2.21 114.58 122.64 1xvh h GLU 125 Ca 0.03 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1xvh h GLU 125 Cb 0.63 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 1xvh h GLU 125 CO 0.03 0.27 0.26 1.25 -1.18 0.00 0.00 179.01 179.64 1xvh h LEU 126 N 0.43 0.93 -1.31 1.64 5.85 -0.90 -2.95 115.31 119.00 1xvh h LEU 126 Ca 0.18 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1xvh h LEU 126 Cb 0.08 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1xvh h LEU 126 CO -0.12 0.85 0.29 -1.13 -0.34 0.00 0.00 178.44 177.99 1xvh h ASN 127 N 0.95 0.68 -0.02 1.25 -1.24 -0.69 -3.48 115.58 113.02 1xvh h ASN 127 Ca 0.22 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1xvh h ASN 127 Cb 0.22 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.10 1xvh h ASN 127 CO -0.02 0.56 0.00 0.35 -1.29 0.00 0.00 177.43 177.04