#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2owa n ASP 13 N 0.00 -0.51 0.22 4.52 5.68 -0.33 -4.88 116.55 121.24 2owa n ASP 13 Ca 0.00 -1.17 0.05 0.00 -0.50 0.00 0.00 54.79 53.17 2owa n ASP 13 Cb 0.00 -0.63 0.48 0.00 -1.14 0.00 0.00 41.12 39.83 2owa n ASP 13 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2owa h GLU 14 N 0.00 0.00 -0.00 0.11 9.09 -2.03 -2.37 114.58 119.38 2owa h GLU 14 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 2owa h GLU 14 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 2owa h GLU 14 CO 0.18 0.23 -0.05 1.63 0.05 0.00 0.00 179.01 181.05 2owa n LYS 15 N -4.21 0.23 -0.11 1.06 5.02 -1.26 -4.91 118.16 113.99 2owa n LYS 15 Ca -0.02 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2owa n LYS 15 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2owa n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2owa n GLY 16 N 1.40 0.94 3.84 0.72 0.00 -0.89 -5.08 105.19 106.11 2owa n GLY 16 Ca 0.10 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2owa n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2owa s PHE 17 N -2.00 3.70 0.97 1.61 0.08 -1.26 -4.37 117.98 116.71 2owa s PHE 17 Ca 0.00 0.92 -0.11 0.00 0.12 0.00 0.00 56.93 57.86 2owa s PHE 17 Cb 0.00 -2.25 0.17 0.00 -0.57 0.00 0.00 43.02 40.37 2owa s PHE 17 CO 0.00 0.63 1.10 0.14 -0.10 0.00 0.00 175.22 177.00 2owa s VAL 18 N -0.98 2.24 0.91 -0.44 -7.23 0.22 -1.19 120.40 113.94 2owa s VAL 18 Ca 0.22 0.08 -0.11 0.00 -1.81 0.00 0.00 61.98 60.36 2owa s VAL 18 Cb -0.16 -2.21 0.14 0.00 0.56 0.00 0.00 36.38 34.71 2owa s VAL 18 CO 0.12 -0.10 1.10 -0.94 -0.31 0.00 0.00 175.10 174.97 2owa s SER 19 N -2.78 3.18 0.40 4.85 1.04 -1.26 -4.73 113.70 114.40 2owa s SER 19 Ca 0.66 1.84 0.12 0.00 0.48 0.00 0.00 55.95 59.06 2owa s SER 19 Cb -0.22 -2.43 0.84 0.00 0.10 0.00 0.00 66.02 64.31 2owa s SER 19 CO 0.59 -2.88 1.91 0.44 0.98 0.00 0.00 173.24 174.29 2owa h ASP 20 N -1.71 0.06 -0.17 7.02 3.32 -1.98 -2.23 116.42 120.73 2owa h ASP 20 Ca -0.47 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 2owa h ASP 20 Cb 1.27 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 2owa h ASP 20 CO 0.48 0.31 -0.09 0.50 -1.72 0.00 0.00 179.24 178.72 2owa h LYS 21 N 0.06 0.36 0.06 3.56 3.64 -1.99 -0.35 116.57 121.91 2owa h LYS 21 Ca 0.01 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2owa h LYS 21 Cb 0.46 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2owa h LYS 21 CO 0.03 0.68 -0.12 1.25 -2.27 0.00 0.00 179.45 179.02 2owa h LEU 22 N 0.03 -0.33 -0.28 5.20 5.85 -1.90 -0.21 115.31 123.66 2owa h LEU 22 Ca 0.04 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.86 2owa h LEU 22 Cb 0.58 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 2owa h LEU 22 CO 0.03 -0.18 -0.17 -0.09 -0.34 0.00 0.00 178.44 177.69 2owa h ARG 23 N -0.23 -0.14 -0.38 1.25 2.43 -1.36 -0.15 114.38 115.80 2owa h ARG 23 Ca 0.02 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2owa h ARG 23 Cb 0.26 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2owa h ARG 23 CO -0.08 -0.09 0.20 -0.44 -1.51 0.00 0.00 179.97 178.05 2owa h ASP 24 N -0.15 0.48 -0.40 -3.80 3.32 -0.92 -0.81 116.42 114.14 2owa h ASP 24 Ca 0.15 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2owa h ASP 24 Cb 0.37 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2owa h ASP 24 CO -0.37 0.45 0.25 0.78 -1.72 0.00 0.00 179.24 178.63 2owa h ASN 25 N 0.48 0.42 0.02 6.45 2.35 -0.81 -0.60 115.58 123.90 2owa h ASN 25 Ca 0.13 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2owa h ASN 25 Cb 0.08 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2owa h ASN 25 CO -0.02 0.30 -0.01 0.15 -1.65 0.00 0.00 177.43 176.20 2owa h PHE 26 N 0.51 -0.03 -0.05 1.19 3.57 -0.60 -2.94 116.94 118.60 2owa h PHE 26 Ca 0.15 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.53 2owa h PHE 26 Cb -0.02 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2owa h PHE 26 CO -0.06 0.07 -0.56 0.74 -2.23 0.00 0.00 178.31 176.27 2owa h PHE 27 N -0.11 0.17 -0.61 0.41 0.04 -1.14 -1.35 116.94 114.35 2owa h PHE 27 Ca -0.00 -0.06 0.10 0.00 2.80 0.00 0.00 57.97 60.80 2owa h PHE 27 Cb 0.10 -0.03 -0.07 0.00 2.20 0.00 0.00 35.95 38.15 2owa h PHE 27 CO -0.05 0.66 0.22 1.96 -0.60 0.00 0.00 178.31 180.51 2owa h GLN 28 N 0.11 0.38 0.44 1.51 4.20 -1.06 -1.12 115.11 119.57 2owa h GLN 28 Ca -0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2owa h GLN 28 Cb 1.02 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2owa h GLN 28 CO 0.08 0.25 -0.21 0.82 -0.67 0.00 0.00 178.83 179.10 2owa h ILE 29 N 0.40 0.28 0.00 2.54 2.04 -1.32 -3.26 117.51 118.18 2owa h ILE 29 Ca 0.31 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 2owa h ILE 29 Cb 0.39 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2owa h ILE 29 CO -0.32 0.06 -0.43 -0.37 0.00 0.00 0.00 178.15 177.09 2owa h VAL 30 N -1.05 1.26 0.00 1.67 -1.51 -1.19 -1.32 116.25 114.11 2owa h VAL 30 Ca -0.06 -1.50 0.00 0.00 -1.23 0.00 0.00 66.70 63.91 2owa h VAL 30 Cb 0.55 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 2owa h VAL 30 CO 0.10 0.42 0.00 0.54 -1.23 0.00 0.00 177.57 177.40 2owa n ARG 31 N -3.95 0.10 0.16 5.19 1.74 -0.43 -1.81 116.66 117.65 2owa n ARG 31 Ca -0.02 0.36 0.12 0.00 -0.77 0.00 0.00 57.85 57.54 2owa n ARG 31 Cb 0.47 -1.69 0.22 0.00 -1.02 0.00 0.00 32.46 30.44 2owa n ARG 31 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 2owa h ASN 32 N 0.00 0.00 -3.05 0.55 -1.24 -1.27 -3.40 115.58 107.17 2owa h ASN 32 Ca 0.00 -0.02 -0.53 0.00 0.71 0.00 0.00 56.30 56.47 2owa h ASN 32 Cb 0.28 0.00 0.07 0.00 0.73 0.00 0.00 38.32 39.40 2owa h ASN 32 CO 0.00 0.01 0.93 -0.13 -1.29 0.00 0.00 177.43 176.95 2owa s ARG 33 N -3.19 4.13 0.42 6.67 0.52 -0.75 -4.85 118.95 121.91 2owa s ARG 33 Ca 0.07 2.56 0.15 0.00 -0.52 0.00 0.00 55.73 58.00 2owa s ARG 33 Cb 0.08 -3.05 1.04 0.00 0.52 0.00 0.00 34.95 33.54 2owa s ARG 33 CO 0.66 -0.67 1.91 -1.00 0.02 0.00 0.00 175.30 176.23 2owa h PRO 34 N 5.72 0.42 0.00 3.54 0.13 -1.90 0.39 132.00 140.30 2owa h PRO 34 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2owa h PRO 34 Cb 1.21 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2owa h PRO 34 CO 0.86 0.28 0.00 -1.91 -0.23 0.00 0.00 178.00 177.00 2owa n GLU 35 N -4.48 0.21 -0.56 0.86 4.07 -1.26 -2.68 120.64 116.79 2owa n GLU 35 Ca 0.15 0.33 0.08 0.00 -0.06 0.00 0.00 57.16 57.67 2owa n GLU 35 Cb 0.53 -1.83 0.32 0.00 -0.06 0.00 0.00 31.44 30.41 2owa n GLU 35 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2owa n ASN 36 N -2.20 4.33 0.11 4.31 3.02 0.14 -4.36 115.26 120.62 2owa n ASN 36 Ca 0.03 -2.40 0.05 0.00 -0.03 0.00 0.00 54.58 52.24 2owa n ASN 36 Cb 0.30 -0.55 0.01 0.00 -0.61 0.00 0.00 39.78 38.92 2owa n ASN 36 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2owa h ARG 37 N 3.69 0.00 -5.61 3.52 3.08 -1.54 -3.42 114.38 114.09 2owa h ARG 37 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 2owa h ARG 37 Cb 1.34 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.24 2owa h ARG 37 CO 0.21 0.23 -0.72 0.95 -1.07 0.00 0.00 179.97 179.57 2owa s THR 38 N -3.09 1.79 0.30 2.04 -4.23 -1.26 -2.31 115.64 108.88 2owa s THR 38 Ca 0.01 -2.21 -0.30 0.00 -1.18 0.00 0.00 61.69 58.02 2owa s THR 38 Cb 0.08 -2.18 -0.11 0.00 1.34 0.00 0.00 72.50 71.63 2owa s THR 38 CO 0.77 -0.49 1.53 0.00 -0.54 0.00 0.00 174.62 175.89 2owa h PHE 40 N 4.44 0.47 0.05 0.00 3.57 -1.09 -1.30 116.94 123.08 2owa h PHE 40 Ca -0.48 0.01 -0.35 0.00 3.53 0.00 0.00 57.97 60.68 2owa h PHE 40 Cb 1.22 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 2owa h PHE 40 CO 0.58 0.27 -2.06 -0.25 -2.23 0.00 0.00 178.31 174.62 2owa n ASP 41 N -4.48 1.49 0.00 0.41 8.00 -1.26 -4.67 116.55 116.04 2owa n ASP 41 Ca 0.05 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2owa n ASP 41 Cb 0.15 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 2owa n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2owa n GLU 43 N -0.12 -1.43 -2.06 0.00 1.02 -0.49 -4.89 120.64 112.67 2owa n GLU 43 Ca 0.00 1.01 -0.35 0.00 -0.02 0.00 0.00 57.16 57.80 2owa n GLU 43 Cb 0.22 -5.37 0.03 0.00 -0.02 0.00 0.00 31.44 26.30 2owa n GLU 43 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2owa s SER 44 N -2.44 5.34 0.69 1.62 1.04 -1.26 -4.56 113.70 114.14 2owa s SER 44 Ca 0.00 2.27 -0.12 0.00 0.48 0.00 0.00 55.95 58.58 2owa s SER 44 Cb 0.00 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.54 2owa s SER 44 CO 0.00 -1.48 1.07 0.00 0.98 0.00 0.00 173.24 173.80 2owa s ARG 45 N -3.41 2.86 -1.10 4.02 1.70 -1.26 -0.63 118.95 121.12 2owa s ARG 45 Ca 0.74 1.07 -0.24 0.00 -0.47 0.00 0.00 55.73 56.83 2owa s ARG 45 Cb -0.27 -1.98 0.03 0.00 -0.57 0.00 0.00 34.95 32.17 2owa s ARG 45 CO 0.32 -1.17 0.67 -1.71 -1.08 0.00 0.00 175.30 172.33 2owa n ASN 46 N -2.97 -4.49 -4.65 -2.89 5.15 -0.98 -4.81 115.26 99.62 2owa n ASN 46 Ca 0.08 -1.17 -0.42 0.00 -0.60 0.00 0.00 54.58 52.46 2owa n ASN 46 Cb 0.53 -1.85 -0.03 0.00 -0.53 0.00 0.00 39.78 37.90 2owa n ASN 46 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2owa s PRO 47 N -6.59 4.10 0.00 1.20 0.04 -1.26 -4.90 135.00 127.58 2owa s PRO 47 Ca 0.35 2.04 0.21 0.00 0.04 0.00 0.00 61.00 63.64 2owa s PRO 47 Cb -0.19 -3.98 -0.20 0.00 0.04 0.00 0.00 34.50 30.17 2owa s PRO 47 CO 0.94 -0.94 0.91 0.25 0.04 0.00 0.00 177.00 178.20 2owa n THR 48 N 5.68 0.00 -2.83 1.26 -2.24 -1.21 -4.59 114.28 110.35 2owa n THR 48 Ca 0.17 -0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.72 2owa n THR 48 Cb 0.43 1.03 0.05 0.00 -2.10 0.00 0.00 70.33 69.74 2owa n THR 48 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2owa s TRP 49 N -2.92 2.24 0.05 4.78 0.52 -0.49 -0.16 118.94 122.96 2owa s TRP 49 Ca 0.09 -0.35 -0.20 0.00 0.02 0.00 0.00 56.10 55.66 2owa s TRP 49 Cb 0.16 -2.56 0.04 0.00 -1.15 0.00 0.00 33.47 29.96 2owa s TRP 49 CO 0.83 -0.98 0.46 -0.48 0.02 0.00 0.00 176.95 176.80 2owa s LEU 50 N -4.70 0.19 -0.31 2.99 0.05 -0.01 -1.14 118.68 115.75 2owa s LEU 50 Ca 0.60 0.07 -0.10 0.00 0.05 0.00 0.00 54.13 54.74 2owa s LEU 50 Cb -0.08 1.91 -0.01 0.00 -2.05 0.00 0.00 46.19 45.96 2owa s LEU 50 CO 0.38 -0.69 0.17 -0.55 -0.55 0.00 0.00 176.35 175.11 2owa s SER 51 N -2.02 5.70 0.48 1.48 0.15 -0.41 -2.09 113.70 116.98 2owa s SER 51 Ca -0.05 -0.45 0.18 0.00 0.70 0.00 0.00 55.95 56.33 2owa s SER 51 Cb -0.01 -2.04 1.16 0.00 -1.71 0.00 0.00 66.02 63.42 2owa s SER 51 CO -0.02 -0.19 2.04 -0.07 1.20 0.00 0.00 173.24 176.20 2owa h LEU 52 N 8.38 0.00 -0.69 3.45 3.38 -0.95 -1.84 115.31 127.03 2owa h LEU 52 Ca -0.32 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.69 2owa h LEU 52 Cb 1.15 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 2owa h LEU 52 CO 0.61 0.14 0.42 0.28 0.09 0.00 0.00 178.44 179.98 2owa h SER 53 N 0.00 0.66 -0.34 -0.43 0.02 -1.91 -2.56 113.55 108.99 2owa h SER 53 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2owa h SER 53 Cb 0.26 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2owa h SER 53 CO 0.02 0.44 0.00 0.49 -1.14 0.00 0.00 176.83 176.64 2owa n PHE 54 N -4.71 0.45 -3.89 3.45 3.72 -1.21 -4.29 117.46 110.98 2owa n PHE 54 Ca 0.08 -0.48 -0.27 0.00 -0.05 0.00 0.00 57.45 56.72 2owa n PHE 54 Cb 0.12 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 2owa n PHE 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2owa n ALA 55 N 0.53 -1.91 -2.63 4.37 0.00 -0.72 -4.58 120.51 115.58 2owa n ALA 55 Ca 0.12 -0.36 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 2owa n ALA 55 Cb 0.42 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.70 2owa n ALA 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2owa s VAL 56 N -3.98 3.66 -0.16 0.00 -7.23 -1.05 0.35 120.40 111.99 2owa s VAL 56 Ca 0.14 -1.15 -0.15 0.00 -1.81 0.00 0.00 61.98 59.01 2owa s VAL 56 Cb -0.08 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2owa s VAL 56 CO 0.72 0.11 0.37 -0.36 -0.31 0.00 0.00 175.10 175.63 2owa s PHE 57 N -1.26 3.45 0.13 2.82 0.08 -1.26 -1.29 117.98 120.64 2owa s PHE 57 Ca 0.23 0.67 0.03 0.00 0.12 0.00 0.00 56.93 57.99 2owa s PHE 57 Cb -0.11 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 39.85 2owa s PHE 57 CO 0.16 0.15 -0.09 0.96 -0.10 0.00 0.00 175.22 176.30 2owa s ILE 58 N 0.74 0.98 0.73 0.64 -4.36 -0.29 -0.42 121.20 119.23 2owa s ILE 58 Ca 0.19 -2.01 -0.10 0.00 -0.26 0.00 0.00 60.65 58.48 2owa s ILE 58 Cb -0.14 -1.78 0.05 0.00 1.25 0.00 0.00 42.46 41.84 2owa s ILE 58 CO 0.06 -0.79 1.09 0.00 0.24 0.00 0.00 174.94 175.55 2owa h LEU 60 N -0.74 -0.30 0.18 0.00 5.85 -1.95 -0.42 115.31 117.93 2owa h LEU 60 Ca -0.45 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2owa h LEU 60 Cb 1.29 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 2owa h LEU 60 CO 0.64 -0.11 -0.17 -1.13 -0.34 0.00 0.00 178.44 177.32 2owa h ASN 61 N 0.09 -0.45 -0.41 1.25 -1.24 -2.01 -1.76 115.58 111.06 2owa h ASN 61 Ca 0.29 0.04 -0.04 0.00 0.71 0.00 0.00 56.30 57.29 2owa h ASN 61 Cb 0.45 0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 2owa h ASN 61 CO -0.50 -0.26 0.12 0.00 -1.29 0.00 0.00 177.43 175.51 2owa h SER 63 N 0.70 0.59 -0.18 0.00 4.64 -0.50 -0.77 113.55 118.03 2owa h SER 63 Ca 0.16 -0.10 0.04 0.00 -0.47 0.00 0.00 61.79 61.43 2owa h SER 63 Cb 0.25 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 2owa h SER 63 CO -0.00 0.61 -0.10 0.28 -0.87 0.00 0.00 176.83 176.75 2owa h SER 64 N 0.63 -0.32 -0.88 4.97 0.02 -1.17 0.17 113.55 116.96 2owa h SER 64 Ca 0.14 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2owa h SER 64 Cb 0.26 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 2owa h SER 64 CO -0.00 -0.13 0.52 0.44 -1.14 0.00 0.00 176.83 176.52 2owa h ASP 65 N -0.08 1.08 -0.23 3.07 3.32 -1.38 -2.53 116.42 119.66 2owa h ASP 65 Ca 0.10 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2owa h ASP 65 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2owa h ASP 65 CO -0.24 0.84 0.15 0.45 -1.72 0.00 0.00 179.24 178.72 2owa h HIS 66 N 1.23 0.29 -0.34 4.55 3.86 -0.82 -3.14 115.15 120.77 2owa h HIS 66 Ca 0.32 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.59 2owa h HIS 66 Cb -0.03 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.29 2owa h HIS 66 CO 0.01 0.19 -0.00 -0.09 0.86 0.00 0.00 177.93 178.90 2owa h ARG 67 N 0.31 0.09 -0.25 2.45 2.43 -0.28 -2.32 114.38 116.81 2owa h ARG 67 Ca 0.08 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 2owa h ARG 67 Cb -0.03 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2owa h ARG 67 CO -0.02 0.06 0.36 0.87 -1.51 0.00 0.00 179.97 179.73 2owa h LYS 68 N 0.09 0.00 0.00 0.20 1.57 -1.42 -0.69 116.57 116.32 2owa h LYS 68 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2owa h LYS 68 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2owa h LYS 68 CO -0.28 0.00 -0.10 0.52 -0.57 0.00 0.00 179.45 179.03 2owa h MET 69 N 0.00 0.00 0.00 3.15 2.86 -1.44 -3.50 114.93 116.00 2owa h MET 69 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2owa h MET 69 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 2owa h MET 69 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2owa n GLY 70 N 1.24 2.35 0.27 8.32 0.00 -0.27 -4.62 105.19 112.49 2owa n GLY 70 Ca 0.05 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.46 2owa n GLY 70 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2owa h VAL 71 N 0.00 0.70 0.00 1.61 -1.51 -1.82 -1.13 116.25 114.10 2owa h VAL 71 Ca 0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 2owa h VAL 71 Cb 0.00 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 2owa h VAL 71 CO 0.00 0.06 0.00 1.12 -1.23 0.00 0.00 177.57 177.52 2owa h HIS 72 N 0.00 0.00 0.00 5.19 2.07 -1.99 -3.30 115.15 117.12 2owa h HIS 72 Ca -0.00 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 2owa h HIS 72 Cb 0.14 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.11 2owa h HIS 72 CO 0.00 0.00 -1.03 -0.89 -3.07 0.00 0.00 177.93 172.94 2owa n ILE 73 N -2.66 1.47 -3.60 6.12 5.41 -0.52 -4.97 119.36 120.61 2owa n ILE 73 Ca 0.04 0.08 -0.21 0.00 1.00 0.00 0.00 62.75 63.66 2owa n ILE 73 Cb 0.40 -2.27 -0.16 0.00 -0.71 0.00 0.00 39.64 36.91 2owa n ILE 73 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2owa s SER 74 N -6.16 1.54 -0.48 4.38 0.15 -0.65 -4.90 113.70 107.58 2owa s SER 74 Ca -0.24 -0.19 -0.19 0.00 0.70 0.00 0.00 55.95 56.03 2owa s SER 74 Cb 0.05 0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.46 2owa s SER 74 CO 0.37 -0.30 0.58 0.12 1.20 0.00 0.00 173.24 175.21 2owa s PHE 75 N 2.23 3.09 -0.14 3.44 5.36 -1.24 -4.26 117.98 126.46 2owa s PHE 75 Ca 0.04 -0.49 -0.04 0.00 -0.96 0.00 0.00 56.93 55.48 2owa s PHE 75 Cb -0.14 -3.38 -0.03 0.00 -0.34 0.00 0.00 43.02 39.12 2owa s PHE 75 CO -0.08 -0.94 0.01 0.08 -1.46 0.00 0.00 175.22 172.83 2owa s VAL 76 N 2.49 4.39 0.02 3.12 1.01 -1.26 -0.30 120.40 129.87 2owa s VAL 76 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2owa s VAL 76 Cb -0.19 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 2owa s VAL 76 CO 0.13 0.53 -0.04 -0.13 0.00 0.00 0.00 175.10 175.59 2owa s ARG 77 N -0.14 0.34 -0.12 2.72 1.81 -0.89 -4.98 118.95 117.68 2owa s ARG 77 Ca 0.05 -0.60 -0.22 0.00 -1.72 0.00 0.00 55.73 53.23 2owa s ARG 77 Cb -0.12 0.02 -0.03 0.00 -0.45 0.00 0.00 34.95 34.36 2owa s ARG 77 CO 0.02 -0.02 0.68 0.45 -0.68 0.00 0.00 175.30 175.74 2owa s SER 78 N -1.39 6.87 0.48 0.23 0.15 -1.26 -0.83 113.70 117.96 2owa s SER 78 Ca -0.14 1.06 0.31 0.00 0.70 0.00 0.00 55.95 57.88 2owa s SER 78 Cb -0.09 -2.39 1.27 0.00 -1.71 0.00 0.00 66.02 63.10 2owa s SER 78 CO -0.01 -0.19 1.92 0.77 1.20 0.00 0.00 173.24 176.94 2owa h SER 79 N 7.03 0.00 0.27 5.45 4.64 -0.87 -2.17 113.55 127.90 2owa h SER 79 Ca -0.37 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.62 2owa h SER 79 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 2owa h SER 79 CO 0.77 0.00 -1.89 0.47 -0.87 0.00 0.00 176.83 175.31 2owa n ASP 80 N -2.90 1.60 -0.01 4.97 8.00 -1.26 -4.75 116.55 122.21 2owa n ASP 80 Ca 0.01 0.29 0.04 0.00 0.71 0.00 0.00 54.79 55.83 2owa n ASP 80 Cb 0.29 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.80 2owa n ASP 80 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2owa n LEU 81 N -3.30 0.00 -4.96 0.64 4.77 -1.21 -5.02 117.00 107.92 2owa n LEU 81 Ca -0.26 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.49 2owa n LEU 81 Cb 1.05 0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 42.16 2owa n LEU 81 CO 0.44 0.04 0.04 -1.81 -1.33 0.00 0.00 177.39 174.77 2owa s ASP 82 N -3.34 6.32 0.26 -1.43 1.01 -0.82 -5.00 116.67 113.67 2owa s ASP 82 Ca -0.04 0.24 -0.11 0.00 0.71 0.00 0.00 52.55 53.35 2owa s ASP 82 Cb 0.06 -1.94 -0.08 0.00 1.01 0.00 0.00 42.92 41.98 2owa s ASP 82 CO 0.42 -0.15 0.60 -0.54 0.21 0.00 0.00 175.17 175.72 2owa s LYS 83 N -4.04 3.84 0.01 8.23 -0.14 -1.26 -4.91 119.74 121.47 2owa s LYS 83 Ca 0.37 0.37 0.04 0.00 -1.36 0.00 0.00 55.97 55.38 2owa s LYS 83 Cb -0.09 -2.58 -0.01 0.00 -1.68 0.00 0.00 37.83 33.46 2owa s LYS 83 CO 0.32 0.26 -0.12 -0.06 -0.76 0.00 0.00 175.35 174.98 2owa s PHE 84 N -1.89 1.05 0.47 3.18 0.08 -1.26 -5.04 117.98 114.57 2owa s PHE 84 Ca 0.49 -0.27 -0.06 0.00 0.12 0.00 0.00 56.93 57.21 2owa s PHE 84 Cb -0.11 -0.65 -0.04 0.00 -0.57 0.00 0.00 43.02 41.65 2owa s PHE 84 CO 0.21 -0.00 0.79 0.95 -0.10 0.00 0.00 175.22 177.07 2owa s THR 85 N -0.57 4.89 0.33 0.64 -4.23 -1.26 -0.61 115.64 114.83 2owa s THR 85 Ca 0.02 0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.84 2owa s THR 85 Cb -0.06 -3.85 0.28 0.00 1.34 0.00 0.00 72.50 70.21 2owa s THR 85 CO 0.00 -0.81 1.95 -0.65 -0.54 0.00 0.00 174.62 174.58 2owa h PRO 86 N 0.37 0.88 0.00 3.99 0.11 -1.95 -2.18 132.00 133.22 2owa h PRO 86 Ca -0.47 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 2owa h PRO 86 Cb 1.20 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2owa h PRO 86 CO 0.62 0.58 -0.28 0.97 -0.21 0.00 0.00 178.00 179.68 2owa h ILE 87 N 0.91 0.67 -0.11 4.15 2.10 -1.95 -2.24 117.51 121.04 2owa h ILE 87 Ca 0.33 -1.28 -0.14 0.00 1.08 0.00 0.00 64.86 64.85 2owa h ILE 87 Cb 0.15 1.83 -0.01 0.00 -1.09 0.00 0.00 36.82 37.70 2owa h ILE 87 CO -0.11 0.27 -0.54 1.56 -1.08 0.00 0.00 178.15 178.26 2owa h GLN 88 N 0.00 0.32 -0.06 2.19 4.20 -1.79 0.00 115.11 119.97 2owa h GLN 88 Ca -0.00 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.44 2owa h GLN 88 Cb 0.81 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2owa h GLN 88 CO 0.04 0.78 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.67 2owa h LEU 89 N 0.25 0.31 -1.09 1.46 3.38 -1.28 -2.47 115.31 115.87 2owa h LEU 89 Ca 0.01 -0.63 0.18 0.00 0.09 0.00 0.00 57.88 57.53 2owa h LEU 89 Cb 1.02 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 2owa h LEU 89 CO 0.09 0.89 0.61 0.58 0.09 0.00 0.00 178.44 180.70 2owa h VAL 90 N -0.25 0.73 -0.52 1.22 2.07 -1.26 -0.10 116.25 118.14 2owa h VAL 90 Ca -0.01 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2owa h VAL 90 Cb 0.87 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2owa h VAL 90 CO 0.05 0.14 0.28 -0.09 0.02 0.00 0.00 177.57 177.97 2owa h ARG 91 N 0.74 0.73 -0.04 1.57 2.43 -0.85 -1.62 114.38 117.34 2owa h ARG 91 Ca 0.55 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.52 2owa h ARG 91 Cb 0.89 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2owa h ARG 91 CO -0.33 0.57 -0.52 0.52 -1.51 0.00 0.00 179.97 178.70 2owa h MET 92 N 0.70 0.10 -0.43 0.20 2.86 -0.71 -1.16 114.93 116.48 2owa h MET 92 Ca 0.18 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 2owa h MET 92 Cb 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2owa h MET 92 CO -0.03 0.59 -0.12 0.22 1.06 0.00 0.00 176.91 178.63 2owa h ASP 93 N 0.08 0.85 1.16 1.22 1.82 -0.84 -3.11 116.42 117.59 2owa h ASP 93 Ca -0.00 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 2owa h ASP 93 Cb 0.94 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.72 2owa h ASP 93 CO 0.07 1.03 -0.14 2.30 -1.61 0.00 0.00 179.24 180.89 2owa n ILE 94 N -4.27 0.33 0.00 2.25 -6.64 -0.63 -4.78 119.36 105.62 2owa n ILE 94 Ca -0.01 -0.18 0.00 0.00 -1.77 0.00 0.00 62.75 60.80 2owa n ILE 94 Cb 0.39 -0.42 0.00 0.00 -1.44 0.00 0.00 39.64 38.17 2owa n ILE 94 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2owa n GLY 95 N 1.39 0.64 0.00 3.28 0.00 -0.46 -5.00 105.19 105.03 2owa n GLY 95 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2owa n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2owa n GLY 96 N 5.00 2.55 0.31 -0.02 0.00 0.16 -4.53 105.19 108.65 2owa n GLY 96 Ca 0.00 -1.92 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 2owa n GLY 96 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2owa h ASN 97 N 0.00 0.68 0.42 1.61 4.21 -1.80 -2.80 115.58 117.90 2owa h ASN 97 Ca 0.00 -0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.40 2owa h ASN 97 Cb 0.00 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.03 2owa h ASN 97 CO 0.00 0.62 -0.20 1.23 -1.29 0.00 0.00 177.43 177.79 2owa h GLY 98 N 0.88 -0.59 0.67 2.83 0.00 -1.87 0.87 103.07 105.86 2owa h GLY 98 Ca 0.18 0.22 0.07 0.00 0.00 0.00 0.00 47.33 47.80 2owa h GLY 98 CO -0.02 -0.22 0.53 -0.09 0.00 0.00 0.00 176.54 176.75 2owa h ARG 99 N -0.65 0.92 -0.38 4.80 2.43 -1.79 -1.75 114.38 117.95 2owa h ARG 99 Ca -0.06 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 2owa h ARG 99 Cb 0.48 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2owa h ARG 99 CO 0.10 0.61 -0.13 0.00 -1.51 0.00 0.00 179.97 179.03 2owa h ALA 100 N 1.42 0.53 -0.99 2.80 0.00 -1.39 -1.63 119.26 120.01 2owa h ALA 100 Ca 0.39 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2owa h ALA 100 Cb 0.22 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2owa h ALA 100 CO -0.19 0.42 0.64 0.00 0.00 0.00 0.00 179.25 180.12 2owa h ARG 101 N 0.56 1.17 -0.42 0.00 3.08 -0.59 -0.30 114.38 117.88 2owa h ARG 101 Ca 0.09 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2owa h ARG 101 Cb 0.66 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2owa h ARG 101 CO 0.05 0.78 0.06 -0.97 -1.07 0.00 0.00 179.97 178.81 2owa h ASN 102 N 1.21 0.68 -0.03 7.04 -1.24 -1.05 -1.60 115.58 120.60 2owa h ASN 102 Ca 0.41 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 57.14 2owa h ASN 102 Cb 0.07 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 38.94 2owa h ASN 102 CO -0.14 0.78 -0.00 0.22 -1.29 0.00 0.00 177.43 176.99 2owa h TYR 103 N 0.56 0.05 -0.25 0.67 3.20 -0.90 -2.93 116.97 117.38 2owa h TYR 103 Ca 0.13 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.83 2owa h TYR 103 Cb 0.40 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 2owa h TYR 103 CO 0.03 0.39 -0.43 0.74 -1.64 0.00 0.00 178.16 177.25 2owa h PHE 104 N -0.30 0.92 -0.93 -3.82 0.04 -1.06 -1.64 116.94 110.15 2owa h PHE 104 Ca 0.01 -0.32 0.11 0.00 2.80 0.00 0.00 57.97 60.57 2owa h PHE 104 Cb 0.38 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.28 2owa h PHE 104 CO 0.05 1.11 0.60 0.87 -0.60 0.00 0.00 178.31 180.33 2owa h LYS 105 N 0.47 0.88 0.11 1.51 1.57 -1.41 0.53 116.57 120.23 2owa h LYS 105 Ca 0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2owa h LYS 105 Cb 1.03 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2owa h LYS 105 CO 0.10 0.58 -0.05 1.96 -0.57 0.00 0.00 179.45 181.47 2owa h GLN 106 N 0.90 -0.14 0.00 3.15 4.20 -1.34 -2.14 115.11 119.74 2owa h GLN 106 Ca 0.45 0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.96 2owa h GLN 106 Cb 0.47 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 2owa h GLN 106 CO -0.21 0.17 -1.40 -0.39 -0.67 0.00 0.00 178.83 176.34 2owa h VAL 107 N -0.47 0.75 0.00 -0.54 -1.51 -1.13 -3.34 116.25 110.01 2owa h VAL 107 Ca -0.02 -2.38 0.00 0.00 -1.23 0.00 0.00 66.70 63.08 2owa h VAL 107 Cb 0.39 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 2owa h VAL 107 CO 0.03 0.43 -1.16 0.18 -1.23 0.00 0.00 177.57 175.82 2owa n LEU 108 N -3.01 0.57 0.00 4.19 4.77 0.18 -5.07 117.00 118.63 2owa n LEU 108 Ca -0.10 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2owa n LEU 108 Cb 0.91 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 2owa n LEU 108 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2owa n GLY 109 N 1.33 -2.03 0.26 -0.72 0.00 -0.80 -4.29 105.19 98.93 2owa n GLY 109 Ca 0.01 -1.50 0.09 0.00 0.00 0.00 0.00 46.02 44.63 2owa n GLY 109 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2owa h VAL 110 N 0.00 0.90 -0.17 1.61 3.04 -1.94 -2.10 116.25 117.59 2owa h VAL 110 Ca 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 2owa h VAL 110 Cb 0.00 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 2owa h VAL 110 CO 0.00 0.02 0.00 0.59 -1.01 0.00 0.00 177.57 177.17 2owa n ASN 111 N -4.35 1.39 -4.66 3.17 3.02 -1.26 -4.94 115.26 107.62 2owa n ASN 111 Ca -0.03 -2.08 -0.49 0.00 -0.03 0.00 0.00 54.58 51.95 2owa n ASN 111 Cb 0.11 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.96 2owa n ASN 111 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2owa n PHE 112 N 0.08 2.12 -3.31 3.10 7.35 -0.79 -4.93 117.46 121.08 2owa n PHE 112 Ca 0.06 0.29 -0.25 0.00 -0.76 0.00 0.00 57.45 56.79 2owa n PHE 112 Cb 0.27 -2.53 -0.09 0.00 0.35 0.00 0.00 39.48 37.48 2owa n PHE 112 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2owa n SER 113 N 4.55 -0.43 0.14 -2.13 3.41 -1.26 -4.98 113.62 112.91 2owa n SER 113 Ca 0.20 -2.48 0.09 0.00 -0.26 0.00 0.00 58.87 56.42 2owa n SER 113 Cb 0.25 -0.48 0.46 0.00 -0.26 0.00 0.00 64.21 64.18 2owa n SER 113 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2owa n PRO 114 N 2.44 0.11 0.28 4.33 -0.04 -1.26 -2.45 135.00 138.41 2owa n PRO 114 Ca 0.27 0.60 0.12 0.00 -0.04 0.00 0.00 63.50 64.45 2owa n PRO 114 Cb 0.50 -1.93 0.79 0.00 -0.04 0.00 0.00 33.50 32.82 2owa n PRO 114 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2owa h LYS 115 N 0.00 0.00 0.00 0.54 1.63 -1.80 -1.43 116.57 115.51 2owa h LYS 115 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2owa h LYS 115 Cb 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2owa h LYS 115 CO 0.00 0.05 -0.44 0.25 -3.45 0.00 0.00 179.45 175.86 2owa n THR 116 N -3.92 0.01 -1.44 1.00 -2.24 -1.02 -4.92 114.28 101.74 2owa n THR 116 Ca -0.03 -0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 2owa n THR 116 Cb 0.14 0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.46 2owa n THR 116 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2owa n LYS 117 N -1.51 -1.56 -0.27 -0.78 4.01 -0.54 -4.89 118.16 112.62 2owa n LYS 117 Ca 0.06 1.02 0.06 0.00 -0.51 0.00 0.00 58.31 58.94 2owa n LYS 117 Cb 0.34 -5.39 0.21 0.00 -0.51 0.00 0.00 35.03 29.67 2owa n LYS 117 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2owa h GLU 118 N 0.00 0.48 -0.78 1.97 4.81 -1.83 -2.03 114.58 117.21 2owa h GLU 118 Ca -0.32 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2owa h GLU 118 Cb 1.22 -0.11 -0.11 0.00 0.63 0.00 0.00 28.75 30.38 2owa h GLU 118 CO 0.47 0.32 0.27 0.10 -0.73 0.00 0.00 179.01 179.43 2owa h TYR 119 N 0.50 0.44 -0.37 0.92 -0.00 -1.90 -2.32 116.97 114.24 2owa h TYR 119 Ca 0.44 0.04 -0.07 0.00 0.00 0.00 0.00 58.73 59.14 2owa h TYR 119 Cb 0.66 -0.07 -0.02 0.00 0.00 0.00 0.00 36.73 37.30 2owa h TYR 119 CO -0.14 -0.02 -0.08 0.00 -0.00 0.00 0.00 178.16 177.92 2owa h ALA 120 N 1.61 1.17 -0.00 0.10 0.00 -1.76 -2.73 119.26 117.65 2owa h ALA 120 Ca 0.45 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2owa h ALA 120 Cb 0.75 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2owa h ALA 120 CO -0.48 0.53 -0.34 -1.13 0.00 0.00 0.00 179.25 177.84 2owa n SER 121 N -4.20 0.48 -4.84 0.00 3.41 -0.99 -4.71 113.62 102.76 2owa n SER 121 Ca 0.01 -0.24 -0.31 0.00 -0.26 0.00 0.00 58.87 58.08 2owa n SER 121 Cb 0.32 0.07 0.05 0.00 -0.26 0.00 0.00 64.21 64.38 2owa n SER 121 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2owa s SER 122 N -2.87 5.43 0.35 4.04 1.04 -0.91 -4.95 113.70 115.82 2owa s SER 122 Ca 0.15 1.43 0.12 0.00 0.48 0.00 0.00 55.95 58.13 2owa s SER 122 Cb 0.18 -2.31 0.63 0.00 0.10 0.00 0.00 66.02 64.63 2owa s SER 122 CO 0.62 -1.39 1.77 0.16 0.98 0.00 0.00 173.24 175.39 2owa h ILE 123 N -0.68 1.31 -0.98 -1.02 -0.00 -1.92 -2.24 117.51 111.97 2owa h ILE 123 Ca -0.45 -1.48 0.13 0.00 -0.00 0.00 0.00 64.86 63.06 2owa h ILE 123 Cb 1.22 1.80 -0.09 0.00 -0.00 0.00 0.00 36.82 39.76 2owa h ILE 123 CO 0.60 0.42 0.61 0.00 -0.00 0.00 0.00 178.15 179.78 2owa h GLY 125 N 0.92 0.83 1.18 0.00 0.00 -1.39 0.14 103.07 104.74 2owa h GLY 125 Ca 0.50 -0.54 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 2owa h GLY 125 CO -0.29 0.50 -0.25 -0.09 0.00 0.00 0.00 176.54 176.41 2owa h ARG 126 N 0.64 0.93 -0.53 4.80 1.12 -0.79 -1.88 114.38 118.68 2owa h ARG 126 Ca 0.14 -0.41 0.04 0.00 -1.11 0.00 0.00 59.98 58.64 2owa h ARG 126 Cb 0.37 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 30.26 2owa h ARG 126 CO 0.01 1.07 0.29 1.96 -3.11 0.00 0.00 179.97 180.18 2owa h GLN 127 N 0.80 0.54 -0.69 0.20 1.08 -0.30 -1.41 115.11 115.32 2owa h GLN 127 Ca 0.10 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2owa h GLN 127 Cb 0.82 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.09 2owa h GLN 127 CO 0.07 0.36 0.45 -0.92 -0.95 0.00 0.00 178.83 177.84 2owa h TYR 128 N 0.56 0.88 -0.71 2.96 3.20 -0.67 -0.22 116.97 122.96 2owa h TYR 128 Ca 0.23 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 2owa h TYR 128 Cb 0.10 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2owa h TYR 128 CO -0.09 0.56 0.43 -0.22 -1.64 0.00 0.00 178.16 177.20 2owa h LYS 129 N 0.94 0.97 -0.79 1.82 3.11 -1.09 -1.88 116.57 119.63 2owa h LYS 129 Ca 0.25 -0.09 -0.02 0.00 -2.81 0.00 0.00 60.65 57.99 2owa h LYS 129 Cb -0.09 -0.20 -0.04 0.00 -1.00 0.00 0.00 32.23 30.89 2owa h LYS 129 CO -0.05 0.69 0.43 1.96 -2.81 0.00 0.00 179.45 179.66 2owa h GLN 130 N 0.97 1.11 -0.40 1.90 4.20 -0.96 0.13 115.11 122.06 2owa h GLN 130 Ca 0.26 -0.13 0.06 0.00 0.06 0.00 0.00 58.65 58.89 2owa h GLN 130 Cb -0.03 -0.22 -0.05 0.00 0.30 0.00 0.00 27.48 27.48 2owa h GLN 130 CO -0.05 0.82 0.11 0.82 -0.67 0.00 0.00 178.83 179.86 2owa h ILE 131 N 1.10 0.83 -0.35 2.54 2.04 -0.64 -0.61 117.51 122.42 2owa h ILE 131 Ca 0.28 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.93 2owa h ILE 131 Cb 0.04 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2owa h ILE 131 CO -0.04 0.05 -0.27 -0.07 0.00 0.00 0.00 178.15 177.81 2owa h LEU 132 N 0.25 0.84 -0.79 1.44 3.38 -1.00 -1.05 115.31 118.38 2owa h LEU 132 Ca 0.19 -0.44 0.18 0.00 0.09 0.00 0.00 57.88 57.89 2owa h LEU 132 Cb 0.21 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 40.61 2owa h LEU 132 CO -0.23 1.11 0.25 0.44 0.09 0.00 0.00 178.44 180.11 2owa h ASP 133 N 0.58 0.13 -0.15 -0.43 3.32 -0.52 -1.01 116.42 118.34 2owa h ASP 133 Ca 0.07 0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 2owa h ASP 133 Cb 0.84 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 2owa h ASP 133 CO 0.07 -0.01 -0.05 -1.28 -1.72 0.00 0.00 179.24 176.25 2owa h SER 134 N 0.33 0.30 -0.92 6.45 0.87 -0.91 -2.67 113.55 117.00 2owa h SER 134 Ca 0.46 -0.39 0.26 0.00 -1.23 0.00 0.00 61.79 60.90 2owa h SER 134 Cb 0.80 -0.08 -0.15 0.00 -0.44 0.00 0.00 62.40 62.53 2owa h SER 134 CO -0.51 0.62 0.32 -0.33 -0.53 0.00 0.00 176.83 176.40 2owa h GLU 135 N -0.02 0.22 -0.30 2.24 4.39 -0.60 -2.04 114.58 118.48 2owa h GLU 135 Ca 0.04 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 2owa h GLU 135 Cb 0.50 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2owa h GLU 135 CO 0.02 0.14 -0.42 0.82 -1.16 0.00 0.00 179.01 178.41 2owa h ILE 136 N 0.22 1.29 0.00 3.13 1.08 -0.89 -3.51 117.51 118.82 2owa h ILE 136 Ca 0.61 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 2owa h ILE 136 Cb 1.29 1.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 2owa h ILE 136 CO -0.66 0.52 0.00 -1.54 -0.69 0.00 0.00 178.15 175.78