#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2owp n GLU 2 N 0.00 0.00 -3.14 1.61 2.13 -1.26 -3.91 120.64 116.07 2owp n GLU 2 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 2owp n GLU 2 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2owp n GLU 2 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2owp s VAL 3 N -0.45 5.09 -1.23 6.31 1.01 -1.26 -0.79 120.40 129.08 2owp s VAL 3 Ca 0.00 1.27 -0.04 0.00 0.00 0.00 0.00 61.98 63.20 2owp s VAL 3 Cb 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2owp s VAL 3 CO 0.00 0.26 1.05 0.59 0.00 0.00 0.00 175.10 177.00 2owp n ASN 4 N 3.88 -4.07 -4.68 3.32 3.02 -0.45 -4.93 115.26 111.34 2owp n ASN 4 Ca -0.03 -0.56 -0.46 0.00 -0.03 0.00 0.00 54.58 53.51 2owp n ASN 4 Cb 0.51 -4.91 -0.04 0.00 -0.61 0.00 0.00 39.78 34.73 2owp n ASN 4 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2owp n GLN 5 N -4.42 2.32 -0.27 3.52 6.02 -1.26 -4.84 117.38 118.46 2owp n GLN 5 Ca -0.14 0.84 0.05 0.00 -0.01 0.00 0.00 57.00 57.75 2owp n GLN 5 Cb 0.61 -2.66 0.28 0.00 1.02 0.00 0.00 30.24 29.49 2owp n GLN 5 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2owp h PRO 6 N 7.22 0.90 -0.77 -1.09 0.11 -1.99 -0.65 132.00 135.73 2owp h PRO 6 Ca -0.46 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2owp h PRO 6 Cb 1.25 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2owp h PRO 6 CO 0.92 0.60 0.32 -0.44 -0.21 0.00 0.00 178.00 179.19 2owp h ASP 7 N 0.93 1.03 -0.08 -2.05 3.32 -2.00 -2.20 116.42 115.37 2owp h ASP 7 Ca 0.38 -0.15 -0.20 0.00 0.02 0.00 0.00 57.03 57.08 2owp h ASP 7 Cb 0.27 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2owp h ASP 7 CO -0.14 0.90 -0.74 0.40 -1.72 0.00 0.00 179.24 177.94 2owp h ILE 8 N 1.10 1.32 -0.89 0.35 1.08 -1.70 -1.61 117.51 117.16 2owp h ILE 8 Ca 0.26 -2.01 0.05 0.00 -0.39 0.00 0.00 64.86 62.77 2owp h ILE 8 Cb 0.18 2.21 -0.06 0.00 -3.07 0.00 0.00 36.82 36.08 2owp h ILE 8 CO -0.02 0.62 0.57 0.58 -0.69 0.00 0.00 178.15 179.20 2owp h VAL 9 N 0.31 1.09 -0.48 1.67 2.07 -1.06 -1.59 116.25 118.26 2owp h VAL 9 Ca -0.07 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 2owp h VAL 9 Cb 1.39 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2owp h VAL 9 CO 0.15 0.19 0.09 0.00 0.02 0.00 0.00 177.57 178.03 2owp h ALA 10 N 1.40 0.63 -0.13 1.67 0.00 -1.18 0.64 119.26 122.29 2owp h ALA 10 Ca 0.38 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2owp h ALA 10 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2owp h ALA 10 CO -0.15 0.35 0.06 1.96 0.00 0.00 0.00 179.25 181.47 2owp h GLN 11 N 0.66 0.13 -0.57 0.00 4.20 -0.95 -1.33 115.11 117.26 2owp h GLN 11 Ca 0.15 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 2owp h GLN 11 Cb 0.37 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2owp h GLN 11 CO 0.01 0.09 0.03 0.28 -0.67 0.00 0.00 178.83 178.56 2owp h VAL 12 N 0.14 1.26 -0.67 -0.54 2.07 -1.06 -1.55 116.25 115.91 2owp h VAL 12 Ca 0.05 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.55 2owp h VAL 12 Cb 0.01 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 2owp h VAL 12 CO -0.04 0.39 0.37 1.56 0.02 0.00 0.00 177.57 179.88 2owp h GLN 13 N 0.88 0.67 -0.29 1.57 1.08 -0.76 0.24 115.11 118.50 2owp h GLN 13 Ca 0.17 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2owp h GLN 13 Cb 0.51 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2owp h GLN 13 CO 0.02 0.44 0.16 0.00 -0.95 0.00 0.00 178.83 178.51 2owp h ALA 14 N 1.35 0.37 -0.36 3.87 0.00 -0.86 -1.26 119.26 122.37 2owp h ALA 14 Ca 0.30 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2owp h ALA 14 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2owp h ALA 14 CO -0.18 -0.10 -0.07 0.00 0.00 0.00 0.00 179.25 178.90 2owp h ALA 15 N 1.04 0.50 -0.35 0.00 0.00 -0.93 -1.78 119.26 117.74 2owp h ALA 15 Ca 0.10 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2owp h ALA 15 Cb 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2owp h ALA 15 CO -0.02 0.33 0.19 0.35 0.00 0.00 0.00 179.25 180.10 2owp h PHE 16 N 0.48 0.35 0.00 0.00 3.57 -0.40 -0.43 116.94 120.52 2owp h PHE 16 Ca 0.09 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 2owp h PHE 16 Cb 0.56 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 2owp h PHE 16 CO 0.05 0.20 -0.41 0.28 -2.23 0.00 0.00 178.31 176.20 2owp h VAL 17 N 0.39 0.84 -0.43 1.41 2.07 -1.09 -1.36 116.25 118.08 2owp h VAL 17 Ca 0.14 -1.73 -0.11 0.00 0.82 0.00 0.00 66.70 65.82 2owp h VAL 17 Cb 0.03 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2owp h VAL 17 CO -0.08 0.40 -0.19 -0.08 0.02 0.00 0.00 177.57 177.64 2owp h GLU 18 N 0.00 0.84 -0.51 1.57 4.57 -1.12 -1.43 114.58 118.52 2owp h GLU 18 Ca -0.00 -0.33 -0.03 0.00 -1.18 0.00 0.00 59.36 57.82 2owp h GLU 18 Cb 1.05 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 2owp h GLU 18 CO 0.05 0.96 0.20 -0.92 -1.18 0.00 0.00 179.01 178.13 2owp h TYR 19 N 0.74 0.77 -0.93 0.92 3.20 -0.21 -1.77 116.97 119.69 2owp h TYR 19 Ca 0.11 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.95 2owp h TYR 19 Cb 0.71 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 2owp h TYR 19 CO 0.04 0.64 0.61 0.93 -1.64 0.00 0.00 178.16 178.74 2owp h GLU 20 N 0.68 1.15 0.11 1.82 4.39 -1.17 0.23 114.58 121.79 2owp h GLU 20 Ca 0.17 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2owp h GLU 20 Cb 0.19 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2owp h GLU 20 CO -0.01 0.76 -0.10 -0.09 -1.16 0.00 0.00 179.01 178.41 2owp h ARG 21 N 1.19 -0.22 -0.75 2.33 2.43 -1.07 0.10 114.38 118.40 2owp h ARG 21 Ca 0.37 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.69 2owp h ARG 21 Cb -0.02 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.48 2owp h ARG 21 CO -0.11 -0.14 0.29 0.00 -1.51 0.00 0.00 179.97 178.49 2owp h ALA 22 N 0.65 1.04 0.33 2.80 0.00 -0.82 0.87 119.26 124.14 2owp h ALA 22 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2owp h ALA 22 Cb 0.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2owp h ALA 22 CO -0.02 -0.22 -0.17 -0.07 0.00 0.00 0.00 179.25 178.76 2owp h LEU 23 N 0.43 -0.42 -0.80 0.00 3.38 -0.22 0.23 115.31 117.90 2owp h LEU 23 Ca 0.41 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.35 2owp h LEU 23 Cb 0.63 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2owp h LEU 23 CO -0.41 -0.29 0.31 0.58 0.09 0.00 0.00 178.44 178.72 2owp h VAL 24 N -0.47 1.26 -0.04 1.22 2.07 -0.17 -1.99 116.25 118.14 2owp h VAL 24 Ca -0.04 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2owp h VAL 24 Cb 0.37 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2owp h VAL 24 CO 0.06 0.34 0.00 -0.62 0.02 0.00 0.00 177.57 177.37 2owp n GLU 25 N -4.27 1.41 -4.02 1.57 1.02 0.24 -4.87 120.64 111.72 2owp n GLU 25 Ca 0.07 -0.60 -0.27 0.00 -0.02 0.00 0.00 57.16 56.34 2owp n GLU 25 Cb 0.19 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 2owp n GLU 25 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2owp n ASN 26 N -0.24 -0.25 -4.46 1.62 4.05 -0.47 -4.89 115.26 110.61 2owp n ASN 26 Ca 0.19 -1.07 -0.44 0.00 0.45 0.00 0.00 54.58 53.72 2owp n ASN 26 Cb 0.24 -2.75 -0.01 0.00 1.23 0.00 0.00 39.78 38.49 2owp n ASN 26 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2owp s ASP 27 N -4.34 6.82 0.19 1.20 -1.08 0.68 -4.89 116.67 115.26 2owp s ASP 27 Ca 0.02 -2.45 -0.12 0.00 -0.52 0.00 0.00 52.55 49.48 2owp s ASP 27 Cb -0.01 -2.40 0.12 0.00 -1.46 0.00 0.00 42.92 39.17 2owp s ASP 27 CO 0.91 -0.93 1.85 0.40 0.52 0.00 0.00 175.17 177.92 2owp h ILE 28 N 5.33 1.13 -0.99 4.11 2.04 -1.90 -2.64 117.51 124.59 2owp h ILE 28 Ca 0.23 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2owp h ILE 28 Cb 0.96 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 2owp h ILE 28 CO 1.17 0.15 0.65 -0.08 0.00 0.00 0.00 178.15 180.04 2owp h GLU 29 N 0.83 1.31 -1.25 2.37 4.81 -1.98 -0.34 114.58 120.32 2owp h GLU 29 Ca 0.24 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2owp h GLU 29 Cb -0.06 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.03 2owp h GLU 29 CO -0.07 0.87 0.00 0.00 -0.73 0.00 0.00 179.01 179.08 2owp n ALA 30 N -2.38 1.86 0.00 2.92 0.00 -1.00 -1.51 120.51 120.41 2owp n ALA 30 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2owp n ALA 30 Cb 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2owp n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2owp n ASN 32 N 0.64 0.00 0.25 0.00 3.02 -0.14 -2.95 115.26 116.07 2owp n ASN 32 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 2owp n ASN 32 Cb 0.19 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 39.96 2owp n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2owp h ALA 33 N 0.00 1.91 -0.20 5.41 0.00 -1.53 -3.02 119.26 121.83 2owp h ALA 33 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2owp h ALA 33 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2owp h ALA 33 CO 0.00 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.60 2owp n LEU 34 N -4.48 2.92 -4.37 0.00 4.77 -1.15 -4.92 117.00 109.76 2owp n LEU 34 Ca -0.03 -1.30 -0.33 0.00 -0.03 0.00 0.00 56.01 54.33 2owp n LEU 34 Cb 0.13 -0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 2owp n LEU 34 CO 0.35 0.59 -0.46 0.12 -1.33 0.00 0.00 177.39 176.65 2owp s PHE 35 N -1.43 2.75 0.26 -1.77 2.19 -1.14 -0.58 117.98 118.25 2owp s PHE 35 Ca 0.28 -0.58 -0.31 0.00 0.33 0.00 0.00 56.93 56.65 2owp s PHE 35 Cb 0.18 -1.78 -0.13 0.00 -1.31 0.00 0.00 43.02 39.98 2owp s PHE 35 CO 0.25 -0.15 1.52 1.87 1.83 0.00 0.00 175.22 180.54 2owp n TRP 36 N 3.26 2.51 -3.79 10.12 -0.00 0.55 -4.86 117.44 125.22 2owp n TRP 36 Ca -0.18 0.33 -0.28 0.00 -0.00 0.00 0.00 57.50 57.37 2owp n TRP 36 Cb 0.53 -2.54 -0.11 0.00 -0.00 0.00 0.00 31.31 29.19 2owp n TRP 36 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 177.69 179.27 2owp n HIS 37 N 2.18 3.23 -4.00 5.87 -0.00 -1.26 -4.62 115.22 116.62 2owp n HIS 37 Ca 0.11 -4.26 -0.08 0.00 -0.00 0.00 0.00 57.72 53.48 2owp n HIS 37 Cb 0.34 -0.59 -0.09 0.00 -0.00 0.00 0.00 29.99 29.65 2owp n HIS 37 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2owp s THR 38 N -1.64 0.16 0.65 3.57 -4.23 -1.26 -4.84 115.64 108.05 2owp s THR 38 Ca 0.28 -1.55 0.38 0.00 -1.18 0.00 0.00 61.69 59.62 2owp s THR 38 Cb -0.00 -1.57 0.39 0.00 1.34 0.00 0.00 72.50 72.66 2owp s THR 38 CO -0.14 -0.71 2.23 -0.65 -0.54 0.00 0.00 174.62 174.81 2owp h PRO 39 N 2.89 0.00 0.00 3.99 0.11 -1.96 0.10 132.00 137.14 2owp h PRO 39 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2owp h PRO 39 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2owp h PRO 39 CO 0.59 0.00 -0.07 0.39 -0.21 0.00 0.00 178.00 178.70 2owp n GLU 40 N -3.23 0.26 -1.97 1.05 4.71 -1.26 -3.44 120.64 116.76 2owp n GLU 40 Ca -0.02 0.20 -0.41 0.00 -0.01 0.00 0.00 57.16 56.92 2owp n GLU 40 Cb 0.17 -1.79 -0.01 0.00 -1.01 0.00 0.00 31.44 28.80 2owp n GLU 40 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2owp s THR 41 N -3.11 2.43 -0.04 2.62 2.01 -1.05 -4.78 115.64 113.73 2owp s THR 41 Ca 0.10 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.56 2owp s THR 41 Cb 0.12 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2owp s THR 41 CO 0.61 0.10 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.81 2owp s VAL 42 N -1.00 1.19 -0.10 3.82 1.01 -1.26 0.80 120.40 124.86 2owp s VAL 42 Ca 0.52 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 2owp s VAL 42 Cb -0.43 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 34.94 2owp s VAL 42 CO 0.56 0.35 -0.07 -0.60 0.00 0.00 0.00 175.10 175.34 2owp s ARG 43 N 0.15 1.42 -0.35 2.72 3.52 -0.21 -2.30 118.95 123.91 2owp s ARG 43 Ca -0.05 -0.23 -0.12 0.00 -0.13 0.00 0.00 55.73 55.21 2owp s ARG 43 Cb -0.11 -1.48 0.00 0.00 -1.56 0.00 0.00 34.95 31.80 2owp s ARG 43 CO 0.02 -0.23 0.22 0.71 -0.81 0.00 0.00 175.30 175.20 2owp s TYR 44 N 1.60 3.22 0.21 5.12 2.02 -0.23 -0.68 117.35 128.61 2owp s TYR 44 Ca 0.02 -0.53 0.03 0.00 -0.37 0.00 0.00 57.07 56.23 2owp s TYR 44 Cb -0.13 -2.45 0.03 0.00 -0.40 0.00 0.00 41.96 39.01 2owp s TYR 44 CO -0.06 -0.48 0.25 0.41 -1.57 0.00 0.00 175.55 174.10 2owp n GLY 45 N 5.06 2.21 0.37 0.71 0.00 0.76 -0.50 105.19 113.80 2owp n GLY 45 Ca -0.13 -2.18 -0.01 0.00 0.00 0.00 0.00 46.02 43.71 2owp n GLY 45 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2owp h ILE 46 N 0.18 1.22 0.00 -0.61 2.04 -1.95 -3.26 117.51 115.13 2owp h ILE 46 Ca -0.11 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 2owp h ILE 46 Cb 0.46 -0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 2owp h ILE 46 CO 0.16 0.23 -0.47 0.00 0.00 0.00 0.00 178.15 178.07 2owp n ALA 47 N -2.39 2.13 -3.39 1.87 0.00 -1.26 -4.77 120.51 112.70 2owp n ALA 47 Ca 0.12 -1.50 -0.10 0.00 0.00 0.00 0.00 53.44 51.96 2owp n ALA 47 Cb 0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 2owp n ALA 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2owp s GLU 48 N -0.61 1.41 -0.04 0.00 1.03 -1.23 -5.16 118.70 114.10 2owp s GLU 48 Ca 0.10 -0.81 0.02 0.00 0.03 0.00 0.00 54.97 54.32 2owp s GLU 48 Cb 0.10 0.54 0.01 0.00 -0.80 0.00 0.00 34.13 33.99 2owp s GLU 48 CO -0.01 -0.61 -0.07 0.08 -1.33 0.00 0.00 175.26 173.31 2owp s VAL 49 N -3.86 0.74 -0.07 1.83 1.01 -1.26 -0.17 120.40 118.62 2owp s VAL 49 Ca 0.08 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2owp s VAL 49 Cb -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.68 2owp s VAL 49 CO -0.04 0.26 -0.08 -1.10 0.00 0.00 0.00 175.10 174.14 2owp s GLN 50 N 0.65 1.30 -0.24 2.72 1.11 0.15 -5.00 119.66 120.34 2owp s GLN 50 Ca -0.10 -0.25 -0.03 0.00 0.01 0.00 0.00 55.36 54.99 2owp s GLN 50 Cb -0.13 -1.21 0.01 0.00 -1.01 0.00 0.00 33.01 30.67 2owp s GLN 50 CO 0.01 -0.08 -0.04 -1.01 0.01 0.00 0.00 175.29 174.19 2owp s HIS 51 N 1.00 3.02 0.00 0.91 3.76 -1.26 -1.04 115.29 121.67 2owp s HIS 51 Ca -0.09 -1.20 0.00 0.00 -0.15 0.00 0.00 55.06 53.62 2owp s HIS 51 Cb -0.15 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.44 2owp s HIS 51 CO 0.00 -0.63 0.00 0.41 -0.85 0.00 0.00 174.74 173.67 2owp n GLY 52 N 4.75 1.58 0.40 -2.22 0.00 0.24 -4.48 105.19 105.46 2owp n GLY 52 Ca -0.17 -1.56 0.20 0.00 0.00 0.00 0.00 46.02 44.48 2owp n GLY 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2owp h GLY 53 N 0.00 0.64 0.96 -0.02 0.00 -1.19 -2.60 103.07 100.86 2owp h GLY 53 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 2owp h GLY 53 CO 0.00 0.01 -0.03 0.83 0.00 0.00 0.00 176.54 177.35 2owp h GLU 54 N 0.32 0.74 -0.50 4.80 5.08 -1.87 0.11 114.58 123.25 2owp h GLU 54 Ca 0.42 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2owp h GLU 54 Cb 1.16 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2owp h GLU 54 CO -0.13 0.84 0.10 0.00 -1.00 0.00 0.00 179.01 178.82 2owp h ALA 55 N 0.87 0.67 -0.12 3.43 0.00 -1.70 -1.62 119.26 120.79 2owp h ALA 55 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2owp h ALA 55 Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2owp h ALA 55 CO 0.03 0.39 0.08 0.82 0.00 0.00 0.00 179.25 180.56 2owp h ILE 56 N 0.70 1.05 -0.71 0.00 2.04 -1.17 -0.65 117.51 118.78 2owp h ILE 56 Ca 0.15 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 2owp h ILE 56 Cb 0.37 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2owp h ILE 56 CO 0.01 0.05 0.26 0.03 0.00 0.00 0.00 178.15 178.49 2owp h ARG 57 N 0.15 1.07 -0.62 2.37 3.08 -0.90 -1.35 114.38 118.17 2owp h ARG 57 Ca 0.05 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 2owp h ARG 57 Cb 0.01 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 2owp h ARG 57 CO -0.01 0.89 0.07 0.00 -1.07 0.00 0.00 179.97 179.84 2owp h ALA 58 N 1.24 0.95 -0.31 0.04 0.00 -0.99 -2.87 119.26 117.32 2owp h ALA 58 Ca 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2owp h ALA 58 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2owp h ALA 58 CO -0.02 0.65 0.13 2.35 0.00 0.00 0.00 179.25 182.36 2owp h TRP 59 N 0.96 0.47 -0.82 0.00 7.01 -0.67 -3.00 115.95 119.90 2owp h TRP 59 Ca 0.19 -0.03 0.17 0.00 2.11 0.00 0.00 58.89 61.32 2owp h TRP 59 Cb 0.46 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.32 2owp h TRP 59 CO 0.03 0.44 0.55 0.00 -2.79 0.00 0.00 178.44 176.67 2owp h ARG 60 N 0.36 0.42 0.00 2.65 3.08 -1.05 -1.07 114.38 118.76 2owp h ARG 60 Ca 0.10 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2owp h ARG 60 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2owp h ARG 60 CO -0.01 0.28 -0.17 0.93 -1.07 0.00 0.00 179.97 179.93 2owp h GLU 61 N 0.43 0.00 0.00 0.04 4.39 -1.36 -3.32 114.58 114.76 2owp h GLU 61 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2owp h GLU 61 Cb 0.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2owp h GLU 61 CO -0.15 0.17 -0.39 2.89 -1.16 0.00 0.00 179.01 180.38 2owp n ARG 62 N -3.47 4.46 -1.83 2.33 1.85 -0.68 -5.06 116.66 114.26 2owp n ARG 62 Ca -0.01 -0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.52 2owp n ARG 62 Cb 0.34 -0.72 0.02 0.00 -1.05 0.00 0.00 32.46 31.06 2owp n ARG 62 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2owp s GLU 64 N -4.69 4.39 0.84 0.00 2.56 -1.26 -5.02 118.70 115.53 2owp s GLU 64 Ca 0.59 2.09 -0.10 0.00 0.00 0.00 0.00 54.97 57.54 2owp s GLU 64 Cb -0.14 -3.17 0.10 0.00 2.00 0.00 0.00 34.13 32.93 2owp s GLU 64 CO 0.47 -0.23 1.11 -1.25 -0.56 0.00 0.00 175.26 174.81 2owp s PRO 65 N -0.48 1.64 0.65 4.30 0.04 -1.26 -5.01 135.00 134.88 2owp s PRO 65 Ca 0.55 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 2owp s PRO 65 Cb -0.37 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 2owp s PRO 65 CO 0.41 -2.11 1.22 0.14 0.04 0.00 0.00 177.00 176.70 2owp s VAL 66 N -2.80 2.45 0.34 -0.36 -7.23 -1.26 -4.94 120.40 106.60 2owp s VAL 66 Ca 0.64 0.26 -0.29 0.00 -1.81 0.00 0.00 61.98 60.78 2owp s VAL 66 Cb -0.19 -3.00 -0.11 0.00 0.56 0.00 0.00 36.38 33.64 2owp s VAL 66 CO 0.57 -0.08 1.42 -2.16 -0.31 0.00 0.00 175.10 174.53 2owp s PRO 67 N -3.56 4.23 0.54 4.82 0.04 -1.26 -4.89 135.00 134.92 2owp s PRO 67 Ca 0.77 2.40 0.23 0.00 0.04 0.00 0.00 61.00 64.43 2owp s PRO 67 Cb -0.31 -3.03 1.48 0.00 0.04 0.00 0.00 34.50 32.68 2owp s PRO 67 CO 0.38 -0.39 2.16 0.87 0.04 0.00 0.00 177.00 180.06 2owp h LYS 68 N 3.55 0.00 0.00 4.56 1.79 -1.92 -2.32 116.57 122.23 2owp h LYS 68 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2owp h LYS 68 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2owp h LYS 68 CO 0.68 0.04 0.00 -1.13 -1.08 0.00 0.00 179.45 177.96 2owp n SER 69 N -4.11 0.00 -4.66 0.86 3.41 -1.26 -4.92 113.62 102.94 2owp n SER 69 Ca -0.03 -1.17 -0.47 0.00 -0.26 0.00 0.00 58.87 56.95 2owp n SER 69 Cb 0.13 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.03 2owp n SER 69 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2owp n ARG 70 N -0.79 2.04 -4.22 4.33 0.63 -0.88 -4.41 116.66 113.37 2owp n ARG 70 Ca 0.11 0.74 -0.21 0.00 -0.92 0.00 0.00 57.85 57.57 2owp n ARG 70 Cb 0.05 -2.49 -0.16 0.00 0.45 0.00 0.00 32.46 30.31 2owp n ARG 70 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2owp s LYS 71 N 0.80 0.97 0.26 -0.14 2.20 0.14 -4.99 119.74 118.97 2owp s LYS 71 Ca 0.79 -0.15 -0.17 0.00 -0.36 0.00 0.00 55.97 56.08 2owp s LYS 71 Cb -0.71 -0.93 -0.08 0.00 -1.51 0.00 0.00 37.83 34.60 2owp s LYS 71 CO 0.39 -0.07 0.71 -0.51 -0.36 0.00 0.00 175.35 175.52 2owp s LEU 72 N 0.89 4.22 0.02 5.43 1.02 -1.26 -1.26 118.68 127.73 2owp s LEU 72 Ca -0.11 1.32 0.01 0.00 0.02 0.00 0.00 54.13 55.36 2owp s LEU 72 Cb -0.15 -3.78 -0.01 0.00 0.02 0.00 0.00 46.19 42.27 2owp s LEU 72 CO 0.01 -0.07 -0.05 -1.00 0.02 0.00 0.00 176.35 175.26 2owp s HIS 73 N -1.73 0.41 -1.23 0.29 3.76 0.11 -4.93 115.29 111.97 2owp s HIS 73 Ca 0.47 -0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 54.95 2owp s HIS 73 Cb -0.14 -0.26 -0.01 0.00 1.11 0.00 0.00 32.58 33.29 2owp s HIS 73 CO 0.19 -0.07 0.68 0.54 -0.85 0.00 0.00 174.74 175.23 2owp n ARG 74 N 2.16 -2.38 -2.58 1.40 1.74 -1.26 -1.48 116.66 114.25 2owp n ARG 74 Ca -0.19 0.48 -0.42 0.00 -0.77 0.00 0.00 57.85 56.95 2owp n ARG 74 Cb 0.57 -4.44 -0.03 0.00 -1.02 0.00 0.00 32.46 27.54 2owp n ARG 74 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2owp s THR 75 N -3.63 4.52 -0.18 0.55 2.01 -1.26 -4.26 115.64 113.38 2owp s THR 75 Ca 0.27 1.81 0.00 0.00 0.31 0.00 0.00 61.69 64.09 2owp s THR 75 Cb -0.09 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.27 2owp s THR 75 CO 0.86 0.05 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.97 2owp s VAL 76 N 1.74 2.24 -0.24 3.82 1.01 0.85 -4.99 120.40 124.83 2owp s VAL 76 Ca 0.53 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 2owp s VAL 76 Cb -0.23 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2owp s VAL 76 CO 0.23 0.52 -0.00 -0.69 0.00 0.00 0.00 175.10 175.16 2owp s VAL 77 N 1.29 3.64 -0.09 2.92 1.01 -1.26 -1.34 120.40 126.56 2owp s VAL 77 Ca 0.05 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2owp s VAL 77 Cb -0.13 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2owp s VAL 77 CO -0.11 0.36 -0.15 -0.89 0.00 0.00 0.00 175.10 174.31 2owp s THR 78 N 1.51 1.41 0.12 3.92 2.01 -0.15 -5.01 115.64 119.44 2owp s THR 78 Ca 0.05 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.53 2owp s THR 78 Cb -0.15 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2owp s THR 78 CO -0.01 0.42 -0.18 0.42 -0.69 0.00 0.00 174.62 174.57 2owp s THR 79 N 0.75 2.83 -0.16 -0.82 -4.23 -1.26 -0.50 115.64 112.25 2owp s THR 79 Ca -0.12 -1.51 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 2owp s THR 79 Cb -0.16 -2.29 0.04 0.00 1.34 0.00 0.00 72.50 71.43 2owp s THR 79 CO 0.02 0.10 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.80 2owp s PHE 80 N -1.14 1.63 0.00 3.99 0.40 0.42 -1.35 117.98 121.94 2owp s PHE 80 Ca 0.18 -1.03 0.00 0.00 -0.60 0.00 0.00 56.93 55.48 2owp s PHE 80 Cb -0.11 -1.28 0.00 0.00 0.51 0.00 0.00 43.02 42.14 2owp s PHE 80 CO 0.10 -0.60 0.00 0.41 0.70 0.00 0.00 175.22 175.83 2owp n GLY 81 N 4.89 2.63 0.07 4.36 0.00 0.03 -3.14 105.19 114.03 2owp n GLY 81 Ca -0.12 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.57 2owp n GLY 81 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2owp n THR 82 N 0.00 0.00 -0.31 2.61 -2.24 -1.26 -4.71 114.28 108.37 2owp n THR 82 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2owp n THR 82 Cb 0.00 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2owp n THR 82 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2owp n ASP 83 N -1.16 0.98 -3.99 3.42 8.00 -1.25 -4.92 116.55 117.62 2owp n ASP 83 Ca 0.04 -1.29 -0.10 0.00 0.71 0.00 0.00 54.79 54.15 2owp n ASP 83 Cb 0.28 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.26 2owp n ASP 83 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2owp s PHE 84 N -0.29 0.34 0.05 1.24 5.36 -1.19 -0.73 117.98 122.77 2owp s PHE 84 Ca 0.00 -0.50 -0.27 0.00 -0.96 0.00 0.00 56.93 55.21 2owp s PHE 84 Cb 0.00 -0.23 0.09 0.00 -0.34 0.00 0.00 43.02 42.54 2owp s PHE 84 CO 0.00 -0.16 0.77 0.00 -1.46 0.00 0.00 175.22 174.37 2owp s ALA 85 N -1.37 -1.74 -0.02 11.12 0.00 0.31 -0.43 121.76 129.63 2owp s ALA 85 Ca -0.14 0.84 0.06 0.00 0.00 0.00 0.00 51.96 52.73 2owp s ALA 85 Cb -0.10 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 2owp s ALA 85 CO -0.01 -0.69 -0.21 0.95 0.00 0.00 0.00 175.76 175.80 2owp s THR 86 N -3.21 1.68 -0.15 0.00 -4.23 0.35 -0.35 115.64 109.73 2owp s THR 86 Ca 0.02 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 2owp s THR 86 Cb -0.01 -1.40 0.02 0.00 1.34 0.00 0.00 72.50 72.45 2owp s THR 86 CO -0.09 0.48 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.64 2owp s VAL 87 N -0.43 1.51 -0.14 2.29 1.01 -0.09 -0.97 120.40 123.58 2owp s VAL 87 Ca 0.06 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2owp s VAL 87 Cb -0.09 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.87 2owp s VAL 87 CO -0.00 0.44 -0.20 -0.44 0.00 0.00 0.00 175.10 174.89 2owp s SER 88 N 1.51 3.24 0.03 3.32 0.01 -0.45 -0.75 113.70 120.61 2owp s SER 88 Ca 0.05 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.72 2owp s SER 88 Cb -0.13 -1.47 -0.02 0.00 0.21 0.00 0.00 66.02 64.61 2owp s SER 88 CO -0.10 0.08 -0.00 0.28 0.41 0.00 0.00 173.24 173.91 2owp s THR 89 N 0.80 0.14 0.34 1.44 -1.32 0.15 -0.11 115.64 117.09 2owp s THR 89 Ca -0.07 -1.16 0.05 0.00 -1.21 0.00 0.00 61.69 59.29 2owp s THR 89 Cb -0.16 -0.70 -0.01 0.00 -1.51 0.00 0.00 72.50 70.13 2owp s THR 89 CO -0.01 -0.64 0.50 -1.61 -2.21 0.00 0.00 174.62 170.65 2owp s GLU 90 N -2.28 3.19 -0.12 7.08 2.02 -0.55 -0.24 118.70 127.79 2owp s GLU 90 Ca -0.08 -0.81 -0.25 0.00 0.02 0.00 0.00 54.97 53.84 2owp s GLU 90 Cb -0.04 -2.77 0.06 0.00 0.10 0.00 0.00 34.13 31.48 2owp s GLU 90 CO -0.04 0.06 0.61 -0.59 0.02 0.00 0.00 175.26 175.33 2owp s PHE 91 N -2.23 -0.61 0.32 1.61 -0.12 -0.26 -0.71 117.98 115.98 2owp s PHE 91 Ca 0.43 1.25 0.05 0.00 -0.05 0.00 0.00 56.93 58.61 2owp s PHE 91 Cb -0.10 0.30 -0.06 0.00 -0.63 0.00 0.00 43.02 42.53 2owp s PHE 91 CO 0.32 -0.47 0.03 0.95 -0.05 0.00 0.00 175.22 176.00 2owp s THR 92 N -0.58 1.36 0.29 -4.49 -4.23 -0.39 -0.52 115.64 107.08 2owp s THR 92 Ca -0.07 -2.03 -0.20 0.00 -1.18 0.00 0.00 61.69 58.22 2owp s THR 92 Cb -0.02 -2.73 0.04 0.00 1.34 0.00 0.00 72.50 71.12 2owp s THR 92 CO 0.06 -0.08 0.77 -0.94 -0.54 0.00 0.00 174.62 173.89 2owp s SER 93 N -3.49 -0.17 0.16 3.99 1.04 -1.26 -0.68 113.70 113.28 2owp s SER 93 Ca 0.35 -0.74 0.25 0.00 0.48 0.00 0.00 55.95 56.29 2owp s SER 93 Cb 0.08 0.73 0.91 0.00 0.10 0.00 0.00 66.02 67.84 2owp s SER 93 CO 0.15 -1.39 1.75 0.47 0.98 0.00 0.00 173.24 175.20 2owp n ASP 94 N -0.74 0.54 0.04 7.02 8.00 -1.26 -3.71 116.55 126.44 2owp n ASP 94 Ca -0.05 0.58 0.13 0.00 0.71 0.00 0.00 54.79 56.16 2owp n ASP 94 Cb 0.59 -0.71 0.45 0.00 -0.02 0.00 0.00 41.12 41.43 2owp n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2owp n ALA 95 N -1.70 2.55 -3.32 2.24 0.00 -1.26 -4.86 120.51 114.15 2owp n ALA 95 Ca 0.05 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 2owp n ALA 95 Cb 0.33 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 2owp n ALA 95 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2owp s THR 96 N -3.05 0.03 -1.39 0.00 -1.32 -1.24 -5.03 115.64 103.63 2owp s THR 96 Ca 0.12 -0.22 0.30 0.00 -1.21 0.00 0.00 61.69 60.67 2owp s THR 96 Cb 0.16 -0.68 0.49 0.00 -1.51 0.00 0.00 72.50 70.95 2owp s THR 96 CO 0.60 -0.12 2.03 -0.81 -2.21 0.00 0.00 174.62 174.10 2owp n PRO 97 N 1.77 0.40 -2.24 7.08 -0.04 -1.26 -4.42 135.00 136.28 2owp n PRO 97 Ca -0.18 -0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 62.95 2owp n PRO 97 Cb 0.56 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 2owp n PRO 97 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2owp s LEU 98 N -2.61 3.51 -0.16 1.53 1.43 -1.26 -4.99 118.68 116.12 2owp s LEU 98 Ca 0.27 1.52 -0.20 0.00 -1.03 0.00 0.00 54.13 54.69 2owp s LEU 98 Cb 0.20 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 2owp s LEU 98 CO 0.47 -0.67 0.58 -0.22 0.23 0.00 0.00 176.35 176.74 2owp s LEU 99 N -4.40 4.20 0.06 1.79 2.96 0.60 -4.75 118.68 119.15 2owp s LEU 99 Ca 0.58 0.85 -0.09 0.00 -0.22 0.00 0.00 54.13 55.25 2owp s LEU 99 Cb -0.10 -2.83 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 2owp s LEU 99 CO 0.38 -0.16 0.37 -0.83 -1.32 0.00 0.00 176.35 174.78 2owp s GLY 100 N 0.99 2.31 -0.02 7.98 0.00 0.32 -1.09 107.32 117.81 2owp s GLY 100 Ca 0.28 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.60 2owp s GLY 100 CO 0.11 -0.23 -0.12 0.50 0.00 0.00 0.00 173.10 173.36 2owp s ARG 101 N -1.90 1.17 0.33 2.90 3.00 0.13 -1.10 118.95 123.47 2owp s ARG 101 Ca 0.32 -0.43 0.06 0.00 0.00 0.00 0.00 55.73 55.67 2owp s ARG 101 Cb -0.14 -1.08 -0.03 0.00 0.00 0.00 0.00 34.95 33.70 2owp s ARG 101 CO 0.18 0.21 0.23 -1.14 0.00 0.00 0.00 175.30 174.78 2owp s GLN 102 N -0.04 1.74 0.00 3.54 0.74 0.66 -1.30 119.66 125.00 2owp s GLN 102 Ca 0.00 -2.01 0.00 0.00 0.05 0.00 0.00 55.36 53.40 2owp s GLN 102 Cb -0.08 0.12 0.00 0.00 1.10 0.00 0.00 33.01 34.15 2owp s GLN 102 CO 0.00 -0.59 0.00 1.04 -0.55 0.00 0.00 175.29 175.20 2owp n GLN 104 N -0.65 0.00 -3.78 1.67 6.02 0.07 -0.67 117.38 120.05 2owp n GLN 104 Ca 0.04 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.67 2owp n GLN 104 Cb 0.63 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.80 2owp n GLN 104 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2owp s THR 105 N -0.54 5.15 0.00 5.09 2.01 -0.27 -0.92 115.64 126.16 2owp s THR 105 Ca 0.00 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.16 2owp s THR 105 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 2owp s THR 105 CO 0.00 0.40 -0.16 0.26 -0.69 0.00 0.00 174.62 174.43 2owp s TRP 106 N 0.74 2.63 0.02 4.92 0.52 0.52 -0.69 118.94 127.60 2owp s TRP 106 Ca 0.06 -0.21 -0.08 0.00 0.02 0.00 0.00 56.10 55.90 2owp s TRP 106 Cb -0.13 -1.54 0.00 0.00 -1.15 0.00 0.00 33.47 30.66 2owp s TRP 106 CO 0.02 0.23 0.15 0.00 0.02 0.00 0.00 176.95 177.37 2owp s ALA 107 N -0.86 -0.31 -0.44 0.98 0.00 -0.24 -0.53 121.76 120.37 2owp s ALA 107 Ca 0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 2owp s ALA 107 Cb -0.11 0.17 0.12 0.00 0.00 0.00 0.00 23.12 23.30 2owp s ALA 107 CO 0.04 -0.26 0.25 0.50 0.00 0.00 0.00 175.76 176.29 2owp s ARG 108 N -1.83 2.13 0.26 0.00 3.52 0.09 -1.01 118.95 122.12 2owp s ARG 108 Ca -0.11 -1.86 0.23 0.00 -0.13 0.00 0.00 55.73 53.86 2owp s ARG 108 Cb -0.05 -3.66 0.20 0.00 -1.56 0.00 0.00 34.95 29.87 2owp s ARG 108 CO -0.00 -1.10 1.29 -0.07 -0.81 0.00 0.00 175.30 174.61 2owp h LEU 109 N 8.05 0.00 -7.22 -0.88 3.38 -1.86 -3.46 115.31 113.32 2owp h LEU 109 Ca -0.14 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2owp h LEU 109 Cb 1.05 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.67 2owp h LEU 109 CO 0.73 0.02 0.07 -0.94 0.09 0.00 0.00 178.44 178.40 2owp s SER 110 N -5.40 -0.39 0.23 -0.43 1.04 -1.26 -5.00 113.70 102.49 2owp s SER 110 Ca 0.03 -0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.23 2owp s SER 110 Cb 0.09 0.54 0.36 0.00 0.10 0.00 0.00 66.02 67.11 2owp s SER 110 CO 0.73 -0.92 1.79 1.55 0.98 0.00 0.00 173.24 177.38 2owp h PRO 111 N 2.18 0.67 -0.80 4.02 0.13 -1.94 -2.39 132.00 133.87 2owp h PRO 111 Ca -0.34 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 2owp h PRO 111 Cb 1.28 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 2owp h PRO 111 CO 0.42 0.44 0.38 0.00 -0.23 0.00 0.00 178.00 179.01 2owp h ALA 112 N 1.44 1.15 -0.12 -0.56 0.00 -2.00 -2.98 119.26 116.19 2owp h ALA 112 Ca 0.37 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2owp h ALA 112 Cb 0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2owp h ALA 112 CO -0.26 0.64 -0.40 -0.44 0.00 0.00 0.00 179.25 178.79 2owp h ASP 113 N 1.14 0.27 -2.00 0.00 3.32 -1.87 -3.49 116.42 113.79 2owp h ASP 113 Ca 0.28 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2owp h ASP 113 Cb 0.12 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2owp h ASP 113 CO -0.03 0.65 0.00 0.61 -1.72 0.00 0.00 179.24 178.74 2owp n GLY 114 N -0.20 -1.26 3.74 2.75 0.00 -0.93 -4.80 105.19 104.48 2owp n GLY 114 Ca -0.01 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 2owp n GLY 114 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2owp s TRP 115 N 0.00 3.50 0.04 1.61 0.52 -1.26 -4.07 118.94 119.27 2owp s TRP 115 Ca 0.00 1.53 -0.03 0.00 0.02 0.00 0.00 56.10 57.62 2owp s TRP 115 Cb 0.00 -3.36 -0.02 0.00 -1.15 0.00 0.00 33.47 28.94 2owp s TRP 115 CO 0.00 -0.91 0.02 0.15 0.02 0.00 0.00 176.95 176.24 2owp s LYS 116 N -0.49 0.53 -0.23 4.98 1.02 -0.18 -4.83 119.74 120.54 2owp s LYS 116 Ca 0.50 -0.88 -0.26 0.00 0.02 0.00 0.00 55.97 55.36 2owp s LYS 116 Cb -0.31 0.20 -0.00 0.00 -0.52 0.00 0.00 37.83 37.19 2owp s LYS 116 CO 0.37 -0.11 0.88 0.42 -0.92 0.00 0.00 175.35 175.99 2owp s ILE 117 N -2.78 4.80 -0.23 2.17 1.01 0.25 -1.08 121.20 125.35 2owp s ILE 117 Ca -0.04 1.68 0.22 0.00 0.00 0.00 0.00 60.65 62.52 2owp s ILE 117 Cb -0.00 -4.16 -0.27 0.00 0.01 0.00 0.00 42.46 38.03 2owp s ILE 117 CO -0.06 -0.09 0.64 1.33 0.00 0.00 0.00 174.94 176.77 2owp n VAL 118 N 5.23 0.08 -3.62 2.92 0.24 0.13 -0.33 118.33 122.99 2owp n VAL 118 Ca 0.07 -0.42 -0.15 0.00 -2.04 0.00 0.00 64.34 61.80 2owp n VAL 118 Cb 0.47 0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.88 2owp n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2owp s ALA 119 N -3.41 -1.57 -0.02 2.33 0.00 -1.20 -4.02 121.76 113.87 2owp s ALA 119 Ca -0.04 1.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.37 2owp s ALA 119 Cb 0.14 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.65 2owp s ALA 119 CO 0.88 -0.32 0.14 0.00 0.00 0.00 0.00 175.76 176.46 2owp s ALA 120 N -0.30 -0.34 -0.06 0.00 0.00 -0.97 -1.12 121.76 118.97 2owp s ALA 120 Ca -0.05 0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.97 2owp s ALA 120 Cb -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2owp s ALA 120 CO 0.04 -0.16 -0.05 -1.58 0.00 0.00 0.00 175.76 174.01 2owp s HIS 121 N -0.88 0.91 -0.05 0.00 5.65 -1.26 -1.07 115.29 118.60 2owp s HIS 121 Ca -0.10 -0.31 0.03 0.00 0.25 0.00 0.00 55.06 54.94 2owp s HIS 121 Cb -0.05 -0.81 0.00 0.00 -1.18 0.00 0.00 32.58 30.53 2owp s HIS 121 CO 0.01 -0.27 -0.15 0.08 -0.65 0.00 0.00 174.74 173.76 2owp s VAL 122 N 1.19 1.28 0.11 0.89 1.01 0.34 -4.27 120.40 120.96 2owp s VAL 122 Ca -0.06 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 2owp s VAL 122 Cb -0.14 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2owp s VAL 122 CO -0.01 0.38 0.24 -0.94 0.00 0.00 0.00 175.10 174.76 2owp s SER 123 N 0.23 0.06 0.00 3.32 1.04 -0.42 -3.23 113.70 114.70 2owp s SER 123 Ca -0.07 -0.66 0.08 0.00 0.48 0.00 0.00 55.95 55.77 2owp s SER 123 Cb -0.12 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 2owp s SER 123 CO 0.03 -0.79 -0.24 -0.76 0.98 0.00 0.00 173.24 172.46 2owp s LEU 124 N -2.88 2.24 0.06 2.42 1.43 -1.26 -0.70 118.68 119.99 2owp s LEU 124 Ca 0.08 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2owp s LEU 124 Cb 0.04 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2owp s LEU 124 CO -0.08 0.30 -0.04 0.27 0.23 0.00 0.00 176.35 177.03 2owp s ILE 125 N -0.72 0.29 0.00 -0.59 -4.36 -0.25 -4.95 121.20 110.62 2owp s ILE 125 Ca 0.11 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 2owp s ILE 125 Cb -0.10 -1.48 0.00 0.00 1.25 0.00 0.00 42.46 42.13 2owp s ILE 125 CO 0.01 -0.95 0.00 0.00 0.24 0.00 0.00 174.94 174.24 2owp n ALA 126 N 0.17 0.00 -0.52 2.27 0.00 -1.26 -0.29 120.51 120.87 2owp n ALA 126 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2owp n ALA 126 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2owp n ALA 126 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20