#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2owa s VAL 12 N 0.00 0.81 0.59 5.18 1.01 -1.26 -3.40 120.40 123.32 2owa s VAL 12 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 2owa s VAL 12 Cb 0.00 -0.77 0.14 0.00 0.00 0.00 0.00 36.38 35.74 2owa s VAL 12 CO 0.00 0.28 0.70 -0.90 0.00 0.00 0.00 175.10 175.18 2owa n ASP 13 N 3.91 -0.44 0.25 3.32 3.85 0.10 -4.85 116.55 122.69 2owa n ASP 13 Ca -0.24 -1.15 0.13 0.00 -0.71 0.00 0.00 54.79 52.81 2owa n ASP 13 Cb 0.51 -0.56 0.60 0.00 -1.35 0.00 0.00 41.12 40.31 2owa n ASP 13 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 2owa h GLU 14 N 0.00 0.00 -0.00 0.11 9.09 -2.02 -2.43 114.58 119.33 2owa h GLU 14 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.17 2owa h GLU 14 Cb 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.77 2owa h GLU 14 CO 0.16 0.15 -0.16 1.63 0.05 0.00 0.00 179.01 180.85 2owa n LYS 15 N -3.38 0.43 -0.14 1.06 5.02 -1.26 -4.89 118.16 115.00 2owa n LYS 15 Ca -0.00 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2owa n LYS 15 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 1.36 0.92 3.82 0.72 0.00 -0.91 -5.06 105.19 106.04 2owa n GLY 16 Ca 0.11 -0.09 -0.37 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 3.57 0.87 1.61 0.08 -1.26 -4.29 117.98 116.56 2owa s PHE 17 Ca 0.00 0.61 -0.10 0.00 0.12 0.00 0.00 56.93 57.55 2owa s PHE 17 Cb 0.00 -2.12 0.12 0.00 -0.57 0.00 0.00 43.02 40.45 2owa s PHE 17 CO 0.00 0.56 1.13 0.14 -0.10 0.00 0.00 175.22 176.95 2owa s VAL 18 N -0.55 2.47 0.80 -0.44 -7.23 -0.42 -0.73 120.40 114.29 2owa s VAL 18 Ca 0.16 0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 60.36 2owa s VAL 18 Cb -0.13 -2.32 0.08 0.00 0.56 0.00 0.00 36.38 34.56 2owa s VAL 18 CO 0.05 -0.20 1.15 -0.94 -0.31 0.00 0.00 175.10 174.85 2owa s SER 19 N -2.91 3.89 0.57 4.85 1.04 -1.22 -4.69 113.70 115.24 2owa s SER 19 Ca 0.65 2.15 0.27 0.00 0.48 0.00 0.00 55.95 59.50 2owa s SER 19 Cb -0.21 -2.56 1.67 0.00 0.10 0.00 0.00 66.02 65.02 2owa s SER 19 CO 0.57 -2.45 2.20 0.44 0.98 0.00 0.00 173.24 174.98 2owa h ASP 20 N -1.00 0.00 0.09 7.02 3.32 -1.96 -2.26 116.42 121.63 2owa h ASP 20 Ca -0.45 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.43 2owa h ASP 20 Cb 1.27 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.82 2owa h ASP 20 CO 0.48 0.00 -0.79 0.50 -1.72 0.00 0.00 179.24 177.70 2owa h LYS 21 N 0.00 0.19 -0.36 3.56 3.64 -1.98 -0.82 116.57 120.80 2owa h LYS 21 Ca 0.03 -0.32 0.02 0.00 -1.27 0.00 0.00 60.65 59.10 2owa h LYS 21 Cb 0.13 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 2owa h LYS 21 CO -0.00 1.15 0.20 1.25 -2.27 0.00 0.00 179.45 179.78 2owa h LEU 22 N -0.56 0.31 -0.34 5.20 6.46 -1.91 -0.40 115.31 124.06 2owa h LEU 22 Ca -0.16 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.68 2owa h LEU 22 Cb 1.49 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 41.29 2owa h LEU 22 CO 0.06 0.22 -0.16 -0.09 -0.62 0.00 0.00 178.44 177.86 2owa h ARG 23 N 0.40 -0.10 0.01 1.25 1.12 -1.47 0.07 114.38 115.66 2owa h ARG 23 Ca 0.15 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.04 2owa h ARG 23 Cb 0.03 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.00 2owa h ARG 23 CO -0.09 -0.06 -0.08 -0.44 -3.11 0.00 0.00 179.97 176.19 2owa h ASP 24 N -0.10 -0.22 -1.00 -3.80 3.32 -0.74 -0.25 116.42 113.63 2owa h ASP 24 Ca 0.17 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.26 2owa h ASP 24 Cb 0.36 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 2owa h ASP 24 CO -0.40 -0.12 0.66 0.78 -1.72 0.00 0.00 179.24 178.44 2owa h ASN 25 N -0.14 1.15 0.53 6.45 2.35 -0.91 -1.48 115.58 123.53 2owa h ASN 25 Ca 0.03 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2owa h ASN 25 Cb 0.18 -0.29 0.01 0.00 0.05 0.00 0.00 38.32 38.26 2owa h ASN 25 CO -0.08 0.83 -0.25 0.15 -1.65 0.00 0.00 177.43 176.43 2owa h PHE 26 N 1.36 -0.66 0.00 1.19 3.57 -0.63 -3.24 116.94 118.52 2owa h PHE 26 Ca 0.37 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.78 2owa h PHE 26 Cb -0.16 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2owa h PHE 26 CO -0.00 -0.34 -0.36 0.74 -2.23 0.00 0.00 178.31 176.12 2owa h PHE 27 N -0.93 0.00 -0.80 0.41 0.04 -0.99 -1.64 116.94 113.02 2owa h PHE 27 Ca -0.07 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.70 2owa h PHE 27 Cb 0.62 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.73 2owa h PHE 27 CO -0.00 0.36 0.53 1.96 -0.60 0.00 0.00 178.31 180.56 2owa h GLN 28 N 0.00 1.06 0.15 1.51 4.20 -1.36 0.95 115.11 121.62 2owa h GLN 28 Ca -0.00 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2owa h GLN 28 Cb 0.71 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2owa h GLN 28 CO 0.05 0.71 -0.07 0.82 -0.67 0.00 0.00 178.83 179.66 2owa h ILE 29 N 1.09 1.00 -0.27 2.54 1.08 -1.51 -3.04 117.51 118.40 2owa h ILE 29 Ca 0.29 -0.98 -0.07 0.00 -0.39 0.00 0.00 64.86 63.71 2owa h ILE 29 Cb -0.12 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 2owa h ILE 29 CO -0.06 0.22 -0.12 0.58 -0.69 0.00 0.00 178.15 178.07 2owa h VAL 30 N -0.70 1.22 0.00 1.67 2.07 -1.15 -1.56 116.25 117.80 2owa h VAL 30 Ca -0.02 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 2owa h VAL 30 Cb 0.51 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2owa h VAL 30 CO 0.03 0.31 -0.30 0.03 0.02 0.00 0.00 177.57 177.67 2owa h ARG 31 N 0.42 0.00 0.00 1.57 3.08 -0.91 -2.85 114.38 115.69 2owa h ARG 31 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2owa h ARG 31 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2owa h ARG 31 CO 0.03 0.30 0.00 -0.97 -1.07 0.00 0.00 179.97 178.25 2owa h ASN 32 N 0.00 0.00 -2.14 7.04 -0.73 -1.16 -3.35 115.58 115.23 2owa h ASN 32 Ca -0.00 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.56 2owa h ASN 32 Cb 0.65 0.00 0.05 0.00 0.27 0.00 0.00 38.32 39.29 2owa h ASN 32 CO 0.04 0.00 0.78 0.54 -0.37 0.00 0.00 177.43 178.42 2owa n ARG 33 N -2.38 1.98 -0.25 6.67 1.74 -1.08 -4.88 116.66 118.46 2owa n ARG 33 Ca 0.05 0.72 0.06 0.00 -0.77 0.00 0.00 57.85 57.90 2owa n ARG 33 Cb 0.43 -2.47 0.19 0.00 -1.02 0.00 0.00 32.46 29.58 2owa n ARG 33 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2owa h PRO 34 N 6.07 0.37 0.00 5.56 0.13 -1.90 0.55 132.00 142.78 2owa h PRO 34 Ca -0.46 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2owa h PRO 34 Cb 1.27 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2owa h PRO 34 CO 0.88 0.25 -0.07 0.93 -0.23 0.00 0.00 178.00 179.75 2owa h GLU 35 N 0.38 0.00 -0.18 0.86 4.39 -1.94 -2.88 114.58 115.22 2owa h GLU 35 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2owa h GLU 35 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2owa h GLU 35 CO -0.44 0.07 0.00 0.09 -1.16 0.00 0.00 179.01 177.57 2owa n ASN 36 N -3.60 1.28 -0.94 1.42 3.02 0.18 -4.08 115.26 112.54 2owa n ASN 36 Ca -0.02 -1.78 0.12 0.00 -0.03 0.00 0.00 54.58 52.87 2owa n ASN 36 Cb 0.18 -0.12 0.24 0.00 -0.61 0.00 0.00 39.78 39.48 2owa n ASN 36 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2owa n ARG 37 N 0.11 2.25 -4.27 3.52 1.74 -1.09 -4.41 116.66 114.52 2owa n ARG 37 Ca 0.13 -1.87 -0.17 0.00 -0.77 0.00 0.00 57.85 55.16 2owa n ARG 37 Cb 0.24 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 30.07 2owa n ARG 37 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2owa s THR 38 N -1.71 0.68 0.34 0.55 -1.32 -1.26 -0.45 115.64 112.48 2owa s THR 38 Ca 0.35 -0.56 -0.29 0.00 -1.21 0.00 0.00 61.69 59.99 2owa s THR 38 Cb 0.21 -0.61 -0.11 0.00 -1.51 0.00 0.00 72.50 70.48 2owa s THR 38 CO 0.30 0.06 1.49 0.00 -2.21 0.00 0.00 174.62 174.26 2owa h PHE 40 N 3.44 0.58 0.10 0.00 3.57 -1.40 -1.56 116.94 121.66 2owa h PHE 40 Ca -0.49 0.01 -0.30 0.00 3.53 0.00 0.00 57.97 60.72 2owa h PHE 40 Cb 1.24 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 2owa h PHE 40 CO 0.54 0.37 -1.60 -0.44 -2.23 0.00 0.00 178.31 174.95 2owa h ASP 41 N 0.62 0.35 0.00 0.41 5.19 -1.83 -3.44 116.42 117.71 2owa h ASP 41 Ca 0.17 -0.84 0.00 0.00 -0.62 0.00 0.00 57.03 55.74 2owa h ASP 41 Cb -0.06 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.34 2owa h ASP 41 CO -0.04 1.69 0.00 0.00 -3.12 0.00 0.00 179.24 177.78 2owa n GLU 43 N -0.00 -0.93 -1.56 0.00 1.02 -0.59 -4.91 120.64 113.66 2owa n GLU 43 Ca 0.00 0.23 -0.44 0.00 -0.02 0.00 0.00 57.16 56.93 2owa n GLU 43 Cb 0.07 -4.16 -0.01 0.00 -0.02 0.00 0.00 31.44 27.33 2owa n GLU 43 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2owa n SER 44 N -0.47 0.88 -4.86 1.62 2.88 -1.26 -4.29 113.62 108.12 2owa n SER 44 Ca 0.00 1.13 -0.32 0.00 -1.33 0.00 0.00 58.87 58.35 2owa n SER 44 Cb 0.23 -1.25 -0.05 0.00 -0.75 0.00 0.00 64.21 62.38 2owa n SER 44 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2owa s ARG 45 N -1.57 3.93 -1.15 -1.46 0.52 -1.26 -0.03 118.95 117.93 2owa s ARG 45 Ca 0.60 0.56 -0.08 0.00 -0.52 0.00 0.00 55.73 56.28 2owa s ARG 45 Cb -0.69 -2.46 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 2owa s ARG 45 CO 0.59 0.15 0.84 -1.71 0.02 0.00 0.00 175.30 175.20 2owa n ASN 46 N -0.49 -4.57 -4.77 0.23 5.15 0.41 -4.86 115.26 106.35 2owa n ASN 46 Ca 0.03 -0.81 -0.38 0.00 -0.60 0.00 0.00 54.58 52.81 2owa n ASN 46 Cb 0.53 -4.42 -0.03 0.00 -0.53 0.00 0.00 39.78 35.33 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 -5.30 4.22 0.00 1.20 0.04 -1.26 -4.93 135.00 128.98 2owa s PRO 47 Ca 0.32 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2owa s PRO 47 Cb -0.07 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.73 2owa s PRO 47 CO 0.79 -0.13 0.11 0.25 0.04 0.00 0.00 177.00 178.05 2owa n THR 48 N 0.26 0.00 -2.36 1.26 -2.24 -1.22 -4.75 114.28 105.23 2owa n THR 48 Ca 0.03 -0.40 -0.24 0.00 -2.27 0.00 0.00 64.05 61.17 2owa n THR 48 Cb 0.47 1.06 0.08 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.58 2.58 0.03 4.78 0.52 -0.70 -0.51 118.94 125.07 2owa s TRP 49 Ca 0.00 0.19 -0.19 0.00 0.02 0.00 0.00 56.10 56.12 2owa s TRP 49 Cb 0.00 -3.11 0.04 0.00 -1.15 0.00 0.00 33.47 29.24 2owa s TRP 49 CO 0.00 -1.41 0.43 -0.48 0.02 0.00 0.00 176.95 175.51 2owa s LEU 50 N -5.15 0.32 -0.30 2.99 0.05 0.27 -1.26 118.68 115.60 2owa s LEU 50 Ca 0.61 0.10 -0.08 0.00 0.05 0.00 0.00 54.13 54.82 2owa s LEU 50 Cb -0.09 1.78 0.01 0.00 -2.05 0.00 0.00 46.19 45.84 2owa s LEU 50 CO 0.44 -0.63 0.11 -0.55 -0.55 0.00 0.00 176.35 175.16 2owa s SER 51 N -1.81 5.27 0.34 1.48 0.15 -0.20 -1.87 113.70 117.06 2owa s SER 51 Ca -0.07 -0.67 0.03 0.00 0.70 0.00 0.00 55.95 55.93 2owa s SER 51 Cb -0.01 -1.92 0.62 0.00 -1.71 0.00 0.00 66.02 63.00 2owa s SER 51 CO -0.00 -0.20 1.97 -0.07 1.20 0.00 0.00 173.24 176.14 2owa h LEU 52 N 8.27 0.67 -0.57 3.45 3.38 -1.01 -1.39 115.31 128.12 2owa h LEU 52 Ca -0.31 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 57.73 2owa h LEU 52 Cb 1.13 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.61 2owa h LEU 52 CO 0.61 0.55 -0.05 0.28 0.09 0.00 0.00 178.44 179.91 2owa h SER 53 N 0.77 -0.36 -0.20 -0.43 0.02 -1.93 -1.42 113.55 110.00 2owa h SER 53 Ca 0.20 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2owa h SER 53 Cb 0.02 0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2owa h SER 53 CO -0.03 -0.14 0.00 0.49 -1.14 0.00 0.00 176.83 176.01 2owa n PHE 54 N -5.32 0.25 -4.07 3.45 3.72 -1.20 -4.48 117.46 109.81 2owa n PHE 54 Ca 0.07 -0.15 -0.29 0.00 -0.05 0.00 0.00 57.45 57.04 2owa n PHE 54 Cb 0.32 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.81 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 1.18 -2.07 -2.56 4.37 0.00 -0.54 -4.62 120.51 116.28 2owa n ALA 55 Ca 0.14 -0.34 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 2owa n ALA 55 Cb 0.52 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 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 -4.06 3.25 -0.08 0.00 -7.23 -0.96 -1.09 120.40 110.23 2owa s VAL 56 Ca 0.05 -1.32 -0.13 0.00 -1.81 0.00 0.00 61.98 58.77 2owa s VAL 56 Cb -0.02 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 2owa s VAL 56 CO 0.93 0.11 0.32 -0.36 -0.31 0.00 0.00 175.10 175.79 2owa s PHE 57 N -1.20 3.62 0.05 2.82 0.08 -1.26 -1.03 117.98 121.06 2owa s PHE 57 Ca 0.21 0.78 -0.01 0.00 0.12 0.00 0.00 56.93 58.03 2owa s PHE 57 Cb -0.11 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 2owa s PHE 57 CO 0.13 0.53 -0.03 0.96 -0.10 0.00 0.00 175.22 176.71 2owa s ILE 58 N -0.56 0.21 0.78 0.64 -4.36 -0.39 -0.96 121.20 116.56 2owa s ILE 58 Ca 0.20 -1.74 -0.09 0.00 -0.26 0.00 0.00 60.65 58.77 2owa s ILE 58 Cb -0.15 -1.42 0.10 0.00 1.25 0.00 0.00 42.46 42.24 2owa s ILE 58 CO 0.09 -0.96 1.10 0.00 0.24 0.00 0.00 174.94 175.41 2owa h LEU 60 N -0.88 0.34 0.29 0.00 8.10 -1.96 0.24 115.31 121.44 2owa h LEU 60 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.53 2owa h LEU 60 Cb 1.30 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 41.44 2owa h LEU 60 CO 0.54 0.24 -0.14 -1.13 -4.11 0.00 0.00 178.44 173.84 2owa h ASN 61 N 0.40 -0.33 0.37 0.17 -0.73 -2.01 -3.13 115.58 110.31 2owa h ASN 61 Ca 0.14 -0.20 -0.08 0.00 1.87 0.00 0.00 56.30 58.03 2owa h ASN 61 Cb 0.06 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.72 2owa h ASN 61 CO -0.03 0.07 -0.38 0.00 -0.37 0.00 0.00 177.43 176.73 2owa h SER 63 N 0.01 1.04 0.16 0.00 4.64 -0.60 -1.50 113.55 117.30 2owa h SER 63 Ca -0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2owa h SER 63 Cb 0.67 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2owa h SER 63 CO 0.05 0.66 -0.08 0.28 -0.87 0.00 0.00 176.83 176.88 2owa h SER 64 N 1.18 -0.18 -0.46 4.97 0.02 -1.40 -0.20 113.55 117.47 2owa h SER 64 Ca 0.43 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.46 2owa h SER 64 Cb 0.16 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.67 2owa h SER 64 CO -0.17 -0.11 -0.02 0.44 -1.14 0.00 0.00 176.83 175.83 2owa h ASP 65 N -0.24 -0.24 -0.79 3.07 3.32 -1.48 -1.96 116.42 118.10 2owa h ASP 65 Ca -0.02 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.17 2owa h ASP 65 Cb 0.18 0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2owa h ASP 65 CO 0.04 -0.08 0.52 0.45 -1.72 0.00 0.00 179.24 178.45 2owa h HIS 66 N 0.09 0.96 0.00 4.55 3.86 -1.10 -2.67 115.15 120.84 2owa h HIS 66 Ca 0.23 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.44 2owa h HIS 66 Cb 0.35 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 2owa h HIS 66 CO -0.32 0.58 -0.14 0.00 0.86 0.00 0.00 177.93 178.92 2owa h ARG 67 N 1.01 0.00 0.00 2.45 3.08 -0.26 -2.01 114.38 118.65 2owa h ARG 67 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2owa h ARG 67 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2owa h ARG 67 CO -0.08 0.14 0.00 1.63 -1.07 0.00 0.00 179.97 180.58 2owa n LYS 68 N -3.61 0.10 0.01 0.04 5.02 -1.01 -4.10 118.16 114.61 2owa n LYS 68 Ca -0.02 0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2owa n LYS 68 Cb 0.27 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.64 2owa n LYS 68 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2owa h MET 69 N 0.00 0.05 0.00 1.97 2.86 -1.41 -3.51 114.93 114.90 2owa h MET 69 Ca 0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2owa h MET 69 Cb 0.43 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2owa h MET 69 CO 0.00 0.72 0.00 0.41 1.06 0.00 0.00 176.91 179.10 2owa n GLY 70 N 1.56 2.29 0.26 8.32 0.00 -1.25 -4.67 105.19 111.69 2owa n GLY 70 Ca -0.15 -1.62 0.10 0.00 0.00 0.00 0.00 46.02 44.35 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 0.85 0.00 1.61 -1.51 -1.93 0.19 116.25 115.46 2owa h VAL 71 Ca 0.00 -0.32 -0.02 0.00 -1.23 0.00 0.00 66.70 65.13 2owa h VAL 71 Cb 0.00 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.34 2owa h VAL 71 CO 0.00 0.08 -0.10 1.12 -1.23 0.00 0.00 177.57 177.44 2owa h HIS 72 N 0.00 0.00 0.00 5.19 2.07 -2.01 -3.28 115.15 117.12 2owa h HIS 72 Ca -0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 2owa h HIS 72 Cb 0.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.15 2owa h HIS 72 CO 0.00 0.10 -0.55 0.82 -3.07 0.00 0.00 177.93 175.23 2owa h ILE 73 N 0.00 0.19 -2.72 6.12 1.08 -0.92 -3.49 117.51 117.78 2owa h ILE 73 Ca -0.00 -1.23 -0.15 0.00 -0.39 0.00 0.00 64.86 63.09 2owa h ILE 73 Cb 0.59 0.45 -0.29 0.00 -3.07 0.00 0.00 36.82 34.50 2owa h ILE 73 CO 0.01 0.07 -0.41 -0.55 -0.69 0.00 0.00 178.15 176.58 2owa s SER 74 N -5.91 -0.16 -0.38 1.72 0.15 -0.79 -4.86 113.70 103.49 2owa s SER 74 Ca -0.15 0.79 -0.09 0.00 0.70 0.00 0.00 55.95 57.20 2owa s SER 74 Cb 0.02 0.88 0.05 0.00 -1.71 0.00 0.00 66.02 65.26 2owa s SER 74 CO 0.26 -0.21 0.19 0.12 1.20 0.00 0.00 173.24 174.80 2owa s PHE 75 N 2.04 3.29 -0.12 3.44 5.36 -1.25 -4.15 117.98 126.59 2owa s PHE 75 Ca -0.04 -1.35 -0.03 0.00 -0.96 0.00 0.00 56.93 54.55 2owa s PHE 75 Cb -0.11 -2.58 -0.03 0.00 -0.34 0.00 0.00 43.02 39.96 2owa s PHE 75 CO -0.11 -0.75 0.01 0.08 -1.46 0.00 0.00 175.22 172.99 2owa s VAL 76 N 1.45 4.36 0.07 3.12 1.01 -1.26 -0.39 120.40 128.75 2owa s VAL 76 Ca 0.01 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2owa s VAL 76 Cb -0.21 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2owa s VAL 76 CO 0.04 0.56 -0.05 -0.13 0.00 0.00 0.00 175.10 175.51 2owa s ARG 77 N -0.41 0.67 -0.24 2.72 1.81 -0.78 -4.98 118.95 117.75 2owa s ARG 77 Ca 0.08 -1.17 -0.17 0.00 -1.72 0.00 0.00 55.73 52.75 2owa s ARG 77 Cb -0.12 -0.03 -0.03 0.00 -0.45 0.00 0.00 34.95 34.32 2owa s ARG 77 CO 0.02 -0.05 0.44 0.45 -0.68 0.00 0.00 175.30 175.48 2owa s SER 78 N -2.71 6.41 0.53 0.23 0.15 -1.26 -0.57 113.70 116.48 2owa s SER 78 Ca 0.05 0.48 0.30 0.00 0.70 0.00 0.00 55.95 57.48 2owa s SER 78 Cb 0.03 -2.25 1.45 0.00 -1.71 0.00 0.00 66.02 63.54 2owa s SER 78 CO -0.06 -0.18 2.04 0.77 1.20 0.00 0.00 173.24 177.02 2owa h SER 79 N 7.77 0.00 0.97 5.45 4.64 -1.09 -2.09 113.55 129.19 2owa h SER 79 Ca -0.33 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.84 2owa h SER 79 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2owa h SER 79 CO 0.70 0.11 -0.73 0.44 -0.87 0.00 0.00 176.83 176.48 2owa h ASP 80 N 0.00 0.00 0.00 4.97 3.45 -1.94 -3.43 116.42 119.47 2owa h ASP 80 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2owa h ASP 80 Cb 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 2owa h ASP 80 CO 0.01 0.73 -0.39 0.18 -1.57 0.00 0.00 179.24 178.20 2owa n LEU 81 N -3.47 0.77 -4.84 1.55 4.77 -1.11 -5.06 117.00 109.62 2owa n LEU 81 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 2owa n LEU 81 Cb 0.76 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.91 2owa n LEU 81 CO 0.43 0.13 0.72 -1.81 -1.33 0.00 0.00 177.39 175.53 2owa s ASP 82 N -2.84 5.20 0.20 -1.43 1.01 -0.81 -5.04 116.67 112.97 2owa s ASP 82 Ca 0.00 1.35 -0.18 0.00 0.71 0.00 0.00 52.55 54.43 2owa s ASP 82 Cb 0.00 -2.17 -0.08 0.00 1.01 0.00 0.00 42.92 41.68 2owa s ASP 82 CO 0.00 -1.52 0.66 -0.54 0.21 0.00 0.00 175.17 173.98 2owa s LYS 83 N -5.19 4.15 0.04 8.23 -0.14 -1.26 -4.95 119.74 120.62 2owa s LYS 83 Ca 0.59 0.73 0.05 0.00 -1.36 0.00 0.00 55.97 55.98 2owa s LYS 83 Cb -0.13 -2.88 -0.02 0.00 -1.68 0.00 0.00 37.83 33.12 2owa s LYS 83 CO 0.54 0.42 -0.15 -0.06 -0.76 0.00 0.00 175.35 175.34 2owa s PHE 84 N -1.52 1.28 0.57 3.18 0.08 -1.26 -5.05 117.98 115.25 2owa s PHE 84 Ca 0.42 -0.36 -0.09 0.00 0.12 0.00 0.00 56.93 57.01 2owa s PHE 84 Cb -0.16 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 2owa s PHE 84 CO 0.20 0.04 0.94 0.95 -0.10 0.00 0.00 175.22 177.25 2owa s THR 85 N -0.88 4.78 0.33 0.64 -4.23 -1.26 -1.31 115.64 113.71 2owa s THR 85 Ca 0.02 0.64 0.01 0.00 -1.18 0.00 0.00 61.69 61.18 2owa s THR 85 Cb -0.08 -3.86 0.25 0.00 1.34 0.00 0.00 72.50 70.14 2owa s THR 85 CO 0.01 -1.03 1.97 -0.65 -0.54 0.00 0.00 174.62 174.39 2owa h PRO 86 N -0.08 0.90 0.00 3.99 0.11 -1.95 -2.20 132.00 132.77 2owa h PRO 86 Ca -0.45 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 2owa h PRO 86 Cb 1.19 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2owa h PRO 86 CO 0.62 0.62 -0.26 0.97 -0.21 0.00 0.00 178.00 179.74 2owa h ILE 87 N 0.92 0.77 -0.01 4.15 2.10 -1.94 -2.32 117.51 121.17 2owa h ILE 87 Ca 0.24 -1.10 -0.14 0.00 1.08 0.00 0.00 64.86 64.94 2owa h ILE 87 Cb -0.05 1.68 -0.02 0.00 -1.09 0.00 0.00 36.82 37.34 2owa h ILE 87 CO -0.05 0.26 -0.67 1.56 -1.08 0.00 0.00 178.15 178.17 2owa h GLN 88 N 0.00 0.03 -0.24 2.19 4.20 -1.79 -1.81 115.11 117.68 2owa h GLN 88 Ca -0.00 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 2owa h GLN 88 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2owa h GLN 88 CO 0.03 0.69 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.74 2owa h LEU 89 N 0.02 0.49 -0.89 1.46 3.38 -1.24 -2.40 115.31 116.14 2owa h LEU 89 Ca -0.01 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.63 2owa h LEU 89 Cb 1.19 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 2owa h LEU 89 CO 0.09 0.76 0.56 0.58 0.09 0.00 0.00 178.44 180.52 2owa h VAL 90 N 0.22 1.10 -0.36 1.22 2.07 -1.31 -0.96 116.25 118.22 2owa h VAL 90 Ca 0.06 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2owa h VAL 90 Cb 0.55 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2owa h VAL 90 CO 0.03 0.19 0.20 -0.09 0.02 0.00 0.00 177.57 177.92 2owa h ARG 91 N 1.06 0.50 -0.26 1.57 2.43 -1.26 -0.16 114.38 118.25 2owa h ARG 91 Ca 0.37 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 2owa h ARG 91 Cb 0.09 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2owa h ARG 91 CO -0.15 0.40 0.09 0.52 -1.51 0.00 0.00 179.97 179.32 2owa h MET 92 N 0.46 0.37 -0.17 0.20 2.86 -0.89 -1.76 114.93 116.00 2owa h MET 92 Ca 0.13 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 2owa h MET 92 Cb 0.04 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2owa h MET 92 CO -0.02 0.33 -0.39 0.22 1.06 0.00 0.00 176.91 178.10 2owa h ASP 93 N 0.37 0.64 1.41 1.22 1.82 -0.30 -3.15 116.42 118.43 2owa h ASP 93 Ca 0.09 -0.57 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 2owa h ASP 93 Cb 0.11 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.93 2owa h ASP 93 CO -0.01 1.09 -0.13 0.16 -1.61 0.00 0.00 179.24 178.75 2owa h ILE 94 N 0.22 0.00 0.00 2.25 -0.00 -0.94 -3.44 117.51 115.60 2owa h ILE 94 Ca -0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 64.86 64.32 2owa h ILE 94 Cb 1.00 1.46 0.00 0.00 -0.00 0.00 0.00 36.82 39.28 2owa h ILE 94 CO 0.09 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.85 2owa n GLY 95 N 1.29 0.61 0.00 0.16 0.00 -0.67 -4.99 105.19 101.58 2owa n GLY 95 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 2.40 0.38 -0.02 0.00 -0.25 -4.52 105.19 108.18 2owa n GLY 96 Ca 0.00 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.08 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 1.14 0.32 1.61 4.21 -1.81 -2.93 115.58 118.13 2owa h ASN 97 Ca 0.00 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.47 2owa h ASN 97 Cb 0.00 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 36.92 2owa h ASN 97 CO 0.00 0.81 -0.16 1.23 -1.29 0.00 0.00 177.43 178.03 2owa h GLY 98 N 1.34 -0.45 0.51 2.83 0.00 -1.87 -0.11 103.07 105.31 2owa h GLY 98 Ca 0.38 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.96 2owa h GLY 98 CO -0.09 -0.17 0.36 -0.09 0.00 0.00 0.00 176.54 176.55 2owa h ARG 99 N -0.44 0.60 -0.10 4.80 2.43 -1.79 -0.32 114.38 119.56 2owa h ARG 99 Ca -0.04 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2owa h ARG 99 Cb 0.34 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2owa h ARG 99 CO 0.07 0.40 0.02 0.00 -1.51 0.00 0.00 179.97 178.95 2owa h ALA 100 N 1.41 0.13 -0.76 2.80 0.00 -1.45 -0.79 119.26 120.59 2owa h ALA 100 Ca 0.34 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.19 2owa h ALA 100 Cb 0.33 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 2owa h ALA 100 CO -0.25 -0.23 0.42 0.00 0.00 0.00 0.00 179.25 179.19 2owa h ARG 101 N -0.06 0.69 -0.10 0.00 3.08 -0.92 0.82 114.38 117.90 2owa h ARG 101 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2owa h ARG 101 Cb 0.27 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2owa h ARG 101 CO 0.00 0.46 0.03 -0.97 -1.07 0.00 0.00 179.97 178.42 2owa h ASN 102 N 0.71 0.14 0.24 7.04 -1.24 -0.87 -0.35 115.58 121.26 2owa h ASN 102 Ca 0.37 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 57.17 2owa h ASN 102 Cb 0.34 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.35 2owa h ASN 102 CO -0.25 0.30 -0.12 0.22 -1.29 0.00 0.00 177.43 176.30 2owa h TYR 103 N -0.03 -0.30 -0.54 0.67 3.20 -0.68 -2.91 116.97 116.38 2owa h TYR 103 Ca 0.03 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2owa h TYR 103 Cb 0.21 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2owa h TYR 103 CO -0.00 -0.19 0.10 0.74 -1.64 0.00 0.00 178.16 177.17 2owa h PHE 104 N -0.33 0.94 -0.44 -3.82 0.04 -0.77 -1.12 116.94 111.44 2owa h PHE 104 Ca -0.03 -0.12 0.02 0.00 2.80 0.00 0.00 57.97 60.64 2owa h PHE 104 Cb 0.25 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2owa h PHE 104 CO -0.06 0.83 0.29 0.87 -0.60 0.00 0.00 178.31 179.64 2owa h LYS 105 N 0.78 0.50 -0.03 1.51 1.57 -1.11 0.64 116.57 120.43 2owa h LYS 105 Ca 0.17 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2owa h LYS 105 Cb 0.39 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2owa h LYS 105 CO 0.01 0.33 -0.08 1.96 -0.57 0.00 0.00 179.45 181.09 2owa h GLN 106 N 0.51 0.11 0.00 3.15 4.20 -1.24 -1.81 115.11 120.02 2owa h GLN 106 Ca 0.17 -0.08 -0.25 0.00 0.06 0.00 0.00 58.65 58.56 2owa h GLN 106 Cb 0.06 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 2owa h GLN 106 CO -0.04 0.70 -1.42 -0.39 -0.67 0.00 0.00 178.83 177.01 2owa h VAL 107 N -0.47 1.06 0.00 -0.54 -1.51 -0.94 -3.32 116.25 110.54 2owa h VAL 107 Ca -0.00 -2.82 0.00 0.00 -1.23 0.00 0.00 66.70 62.65 2owa h VAL 107 Cb 0.70 2.50 0.00 0.00 -2.13 0.00 0.00 31.29 32.37 2owa h VAL 107 CO 0.02 0.60 -1.32 0.18 -1.23 0.00 0.00 177.57 175.82 2owa n LEU 108 N -3.12 0.51 0.00 4.19 4.77 0.22 -5.07 117.00 118.49 2owa n LEU 108 Ca -0.10 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2owa n LEU 108 Cb 0.98 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 2owa n LEU 108 CO 0.45 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2owa n GLY 109 N 1.33 -1.87 0.34 -0.72 0.00 -0.68 -4.21 105.19 99.38 2owa n GLY 109 Ca 0.00 -1.63 0.17 0.00 0.00 0.00 0.00 46.02 44.57 2owa n GLY 109 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2owa h VAL 110 N 0.00 0.65 -0.57 1.61 -1.51 -1.94 -2.13 116.25 112.35 2owa h VAL 110 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2owa h VAL 110 Cb 0.00 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 2owa h VAL 110 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 2owa n ASN 111 N -4.12 5.61 -4.65 4.19 3.02 -1.26 -4.94 115.26 113.11 2owa n ASN 111 Ca 0.04 -2.89 -0.56 0.00 -0.03 0.00 0.00 54.58 51.14 2owa n ASN 111 Cb 0.41 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.64 1.73 -3.32 3.10 7.35 -0.80 -4.91 117.46 121.24 2owa n PHE 112 Ca 0.28 0.64 -0.25 0.00 -0.76 0.00 0.00 57.45 57.36 2owa n PHE 112 Cb 1.17 -2.37 -0.09 0.00 0.35 0.00 0.00 39.48 38.54 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 3.87 -0.74 0.23 -2.13 3.41 -1.26 -4.99 113.62 112.01 2owa n SER 113 Ca 0.23 -2.44 0.16 0.00 -0.26 0.00 0.00 58.87 56.56 2owa n SER 113 Cb 0.14 -0.34 0.79 0.00 -0.26 0.00 0.00 64.21 64.54 2owa n SER 113 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2owa h PRO 114 N 5.48 0.00 -0.60 4.33 0.13 -1.86 -2.57 132.00 136.91 2owa h PRO 114 Ca 0.24 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.46 2owa h PRO 114 Cb 0.93 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.02 2owa h PRO 114 CO 0.34 0.00 0.40 -0.22 -0.23 0.00 0.00 178.00 178.30 2owa h LYS 115 N 0.00 0.42 -0.00 0.86 1.63 -1.80 -1.89 116.57 115.79 2owa h LYS 115 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2owa h LYS 115 Cb 0.13 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2owa h LYS 115 CO 0.00 0.28 -0.26 0.25 -3.45 0.00 0.00 179.45 176.27 2owa n THR 116 N -4.47 0.00 -1.53 1.00 -2.24 -0.97 -4.91 114.28 101.15 2owa n THR 116 Ca 0.10 -0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.68 2owa n THR 116 Cb 0.35 -0.04 -0.08 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 -1.38 -1.50 -0.35 -0.78 4.01 -0.71 -4.86 118.16 112.59 2owa n LYS 117 Ca 0.08 1.15 0.11 0.00 -0.51 0.00 0.00 58.31 59.14 2owa n LYS 117 Cb 0.33 -5.54 0.31 0.00 -0.51 0.00 0.00 35.03 29.62 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 0.80 -0.95 1.97 4.81 -1.84 -1.37 114.58 118.01 2owa h GLU 118 Ca -0.38 -0.05 0.12 0.00 -0.13 0.00 0.00 59.36 58.93 2owa h GLU 118 Cb 1.31 -0.18 -0.08 0.00 0.63 0.00 0.00 28.75 30.43 2owa h GLU 118 CO 0.55 0.53 0.58 0.10 -0.73 0.00 0.00 179.01 180.04 2owa h TYR 119 N 0.82 1.04 -0.69 0.92 -0.00 -1.89 -2.41 116.97 114.78 2owa h TYR 119 Ca 0.54 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 59.29 2owa h TYR 119 Cb 0.77 -0.33 -0.03 0.00 0.00 0.00 0.00 36.73 37.14 2owa h TYR 119 CO -0.00 0.39 0.38 0.00 -0.00 0.00 0.00 178.16 178.93 2owa h ALA 120 N 1.53 1.38 -0.01 0.10 0.00 -1.61 -2.81 119.26 117.84 2owa h ALA 120 Ca 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2owa h ALA 120 Cb 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2owa h ALA 120 CO -0.28 0.52 -0.49 -1.13 0.00 0.00 0.00 179.25 177.87 2owa n SER 121 N -4.37 1.43 -4.80 0.00 3.41 -1.01 -4.71 113.62 103.56 2owa n SER 121 Ca 0.07 -1.13 -0.33 0.00 -0.26 0.00 0.00 58.87 57.21 2owa n SER 121 Cb 0.09 0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.61 6.00 0.42 4.04 1.04 -0.94 -4.94 113.70 116.71 2owa s SER 122 Ca 0.18 1.86 0.12 0.00 0.48 0.00 0.00 55.95 58.59 2owa s SER 122 Cb 0.18 -2.54 0.97 0.00 0.10 0.00 0.00 66.02 64.73 2owa s SER 122 CO 0.61 -1.02 1.98 -0.29 0.98 0.00 0.00 173.24 175.50 2owa h ILE 123 N 0.86 0.92 -0.59 -1.02 2.10 -1.92 -1.04 117.51 116.82 2owa h ILE 123 Ca -0.48 -0.16 -0.01 0.00 1.08 0.00 0.00 64.86 65.28 2owa h ILE 123 Cb 1.22 0.40 -0.03 0.00 -1.09 0.00 0.00 36.82 37.32 2owa h ILE 123 CO 0.58 0.09 0.31 0.00 -1.08 0.00 0.00 178.15 178.05 2owa h GLY 125 N 0.90 0.20 0.75 0.00 0.00 -1.23 -1.03 103.07 102.66 2owa h GLY 125 Ca 0.21 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.46 2owa h GLY 125 CO -0.03 0.11 0.14 -0.09 0.00 0.00 0.00 176.54 176.66 2owa h ARG 126 N 0.03 0.29 -0.69 4.80 2.43 -0.97 -0.63 114.38 119.63 2owa h ARG 126 Ca 0.04 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2owa h ARG 126 Cb 0.19 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2owa h ARG 126 CO -0.00 0.19 0.41 1.96 -1.51 0.00 0.00 179.97 181.02 2owa h GLN 127 N 0.30 0.75 -0.53 0.20 4.20 -0.99 -1.83 115.11 117.21 2owa h GLN 127 Ca 0.15 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 2owa h GLN 127 Cb 0.10 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2owa h GLN 127 CO -0.14 0.49 -0.00 -0.92 -0.67 0.00 0.00 178.83 177.60 2owa h TYR 128 N 0.77 1.03 -0.82 2.96 3.20 -0.84 -1.69 116.97 121.58 2owa h TYR 128 Ca 0.30 -0.18 0.08 0.00 3.14 0.00 0.00 58.73 62.07 2owa h TYR 128 Cb 0.12 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.06 2owa h TYR 128 CO -0.06 0.94 0.48 -0.22 -1.64 0.00 0.00 178.16 177.66 2owa h LYS 129 N 0.82 0.80 -0.18 1.82 3.11 -0.75 -2.01 116.57 120.18 2owa h LYS 129 Ca 0.15 -0.05 -0.10 0.00 -2.81 0.00 0.00 60.65 57.85 2owa h LYS 129 Cb 0.53 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 2owa h LYS 129 CO 0.03 0.53 -0.31 1.96 -2.81 0.00 0.00 179.45 178.85 2owa h GLN 130 N 0.82 0.35 -0.63 1.90 4.20 -1.17 -1.32 115.11 119.26 2owa h GLN 130 Ca 0.38 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 2owa h GLN 130 Cb 0.31 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2owa h GLN 130 CO -0.22 0.63 0.36 0.82 -0.67 0.00 0.00 178.83 179.75 2owa h ILE 131 N 0.31 1.20 -0.46 2.54 2.04 -0.67 -1.29 117.51 121.18 2owa h ILE 131 Ca 0.04 -0.47 -0.12 0.00 1.00 0.00 0.00 64.86 65.31 2owa h ILE 131 Cb 0.70 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2owa h ILE 131 CO 0.05 0.21 -0.17 -0.07 0.00 0.00 0.00 178.15 178.17 2owa h LEU 132 N 0.86 0.95 -0.56 1.44 3.38 -1.19 -1.89 115.31 118.30 2owa h LEU 132 Ca 0.22 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2owa h LEU 132 Cb 0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2owa h LEU 132 CO -0.04 1.12 0.34 0.44 0.09 0.00 0.00 178.44 180.39 2owa h ASP 133 N 0.78 0.54 -0.80 -0.43 3.32 -1.07 -2.16 116.42 116.60 2owa h ASP 133 Ca 0.11 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2owa h ASP 133 Cb 0.74 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 2owa h ASP 133 CO 0.06 0.38 0.41 -1.28 -1.72 0.00 0.00 179.24 177.09 2owa h SER 134 N 0.67 1.04 -0.79 6.45 0.87 -1.16 -2.37 113.55 118.25 2owa h SER 134 Ca 0.22 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 2owa h SER 134 Cb 0.02 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.68 2owa h SER 134 CO -0.10 0.87 0.40 -0.33 -0.53 0.00 0.00 176.83 177.14 2owa h GLU 135 N 1.15 1.14 -0.01 2.24 4.39 -0.73 -1.95 114.58 120.81 2owa h GLU 135 Ca 0.28 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2owa h GLU 135 Cb 0.09 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2owa h GLU 135 CO -0.04 0.87 -0.00 0.44 -1.16 0.00 0.00 179.01 179.12 2owa n ILE 136 N -4.32 0.00 0.00 3.13 -5.35 -0.91 -4.42 119.36 107.49 2owa n ILE 136 Ca 0.08 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2owa n ILE 136 Cb 0.13 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 2owa n ILE 136 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2owa n SER 137 N 0.13 3.23 0.00 7.28 7.64 -0.91 -5.09 113.62 125.90 2owa n SER 137 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2owa n SER 137 Cb 0.35 0.54 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 2owa n SER 137 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19