#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdm n ARG 3 N 0.00 3.76 0.00 0.00 0.63 -1.26 -4.92 116.66 114.87 2wdm n ARG 3 Ca 0.00 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2wdm n ARG 3 Cb 0.00 -0.96 0.00 0.00 0.45 0.00 0.00 32.46 31.95 2wdm n ARG 3 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wdm n ARG 4 N -1.24 0.00 -2.01 -0.14 1.74 -1.26 -5.06 116.66 108.70 2wdm n ARG 4 Ca 0.02 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.71 2wdm n ARG 4 Cb 0.15 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.60 2wdm n ARG 4 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wdm s ARG 5 N 0.05 3.76 0.00 5.56 3.00 -1.26 -4.84 118.95 125.22 2wdm s ARG 5 Ca 0.00 2.14 0.00 0.00 0.00 0.00 0.00 55.73 57.87 2wdm s ARG 5 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 34.95 32.34 2wdm s ARG 5 CO 0.00 -0.66 0.68 -2.13 0.00 0.00 0.00 175.30 173.19 2wdm n ARG 6 N -0.20 0.71 -1.86 3.54 0.63 -1.26 -4.84 116.66 113.38 2wdm n ARG 6 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2wdm n ARG 6 Cb 0.44 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.19 2wdm n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdm n ALA 7 N 0.60 -1.00 -1.85 5.13 0.00 -1.26 -4.77 120.51 117.36 2wdm n ALA 7 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2wdm n ALA 7 Cb 0.34 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 2wdm n ALA 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wdm s GLU 8 N 0.00 4.18 0.05 0.00 2.02 -1.26 -4.91 118.70 118.77 2wdm s GLU 8 Ca 0.00 2.44 -0.31 0.00 0.02 0.00 0.00 54.97 57.12 2wdm s GLU 8 Cb 0.00 -3.44 -0.10 0.00 0.10 0.00 0.00 34.13 30.69 2wdm s GLU 8 CO 0.00 -0.74 1.93 0.28 0.02 0.00 0.00 175.26 176.75 2wdm n VAL 9 N 4.48 0.65 -1.23 2.63 0.31 -1.26 -4.93 118.33 118.98 2wdm n VAL 9 Ca 0.16 -0.12 -0.36 0.00 -0.01 0.00 0.00 64.34 64.02 2wdm n VAL 9 Cb 0.39 -2.21 0.08 0.00 -0.91 0.00 0.00 33.84 31.18 2wdm n VAL 9 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wdm n ARG 10 N 6.93 0.28 -4.85 5.55 0.63 -1.26 -4.97 116.66 118.97 2wdm n ARG 10 Ca 0.20 0.14 -0.33 0.00 -0.92 0.00 0.00 57.85 56.94 2wdm n ARG 10 Cb 0.39 -1.90 -0.14 0.00 0.45 0.00 0.00 32.46 31.26 2wdm n ARG 10 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2wdm s GLN 11 N -2.93 2.86 0.30 -0.14 2.00 -1.26 -5.12 119.66 115.36 2wdm s GLN 11 Ca 0.66 -0.69 -0.05 0.00 -2.00 0.00 0.00 55.36 53.27 2wdm s GLN 11 Cb -0.34 -2.48 -0.05 0.00 0.80 0.00 0.00 33.01 30.95 2wdm s GLN 11 CO 0.58 0.46 0.57 -0.51 -0.50 0.00 0.00 175.29 175.88 2wdm s LEU 12 N -0.29 4.04 -0.22 3.68 1.43 -1.26 -5.09 118.68 120.98 2wdm s LEU 12 Ca 0.02 0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 53.76 2wdm s LEU 12 Cb -0.13 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2wdm s LEU 12 CO 0.03 -0.21 0.11 -1.58 0.23 0.00 0.00 176.35 174.93 2wdm s GLN 13 N -3.58 4.01 1.00 1.70 0.74 -1.26 -4.89 119.66 117.38 2wdm s GLN 13 Ca 0.44 -0.31 -0.16 0.00 0.05 0.00 0.00 55.36 55.38 2wdm s GLN 13 Cb -0.11 -3.39 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 2wdm s GLN 13 CO 0.30 0.14 -0.22 -2.30 -0.55 0.00 0.00 175.29 172.67 2wdm n PRO 14 N 3.99 -0.37 -0.60 1.67 -0.02 -1.26 -4.66 135.00 133.76 2wdm n PRO 14 Ca -0.16 -0.09 -0.28 0.00 -2.02 0.00 0.00 63.50 60.95 2wdm n PRO 14 Cb 0.52 -1.49 0.25 0.00 -0.02 0.00 0.00 33.50 32.77 2wdm n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wdm s ASP 15 N -1.58 0.77 -0.06 2.55 3.68 -1.23 -4.60 116.67 116.20 2wdm s ASP 15 Ca 0.49 1.35 0.12 0.00 2.13 0.00 0.00 52.55 56.64 2wdm s ASP 15 Cb -0.16 -2.08 0.33 0.00 -1.45 0.00 0.00 42.92 39.56 2wdm s ASP 15 CO 0.72 -4.30 1.26 0.18 0.13 0.00 0.00 175.17 173.16 2wdm n LEU 16 N -4.97 3.05 0.07 -1.34 4.77 -1.26 -3.75 117.00 113.57 2wdm n LEU 16 Ca 0.04 -2.39 0.00 0.00 -0.03 0.00 0.00 56.01 53.63 2wdm n LEU 16 Cb 0.55 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2wdm n LEU 16 CO 0.56 0.68 0.00 0.52 -1.33 0.00 0.00 177.39 177.82 2wdm n VAL 17 N -0.07 0.05 0.84 4.08 0.31 -1.26 -4.86 118.33 117.42 2wdm n VAL 17 Ca 0.13 0.02 0.12 0.00 -0.01 0.00 0.00 64.34 64.60 2wdm n VAL 17 Cb 0.56 -0.32 0.22 0.00 -0.91 0.00 0.00 33.84 33.40 2wdm n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2wdm n TYR 18 N -2.97 0.21 -3.04 3.52 4.02 -1.26 -5.02 117.16 112.62 2wdm n TYR 18 Ca 0.00 -0.10 -0.21 0.00 -0.01 0.00 0.00 57.90 57.57 2wdm n TYR 18 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.34 2wdm n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdm n GLY 19 N 1.36 0.11 3.63 2.72 0.00 -1.25 -4.82 105.19 106.94 2wdm n GLY 19 Ca 0.17 0.63 -0.02 0.00 0.00 0.00 0.00 46.02 46.80 2wdm n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wdm s ASP 20 N -1.10 -0.52 0.32 1.61 -1.08 -1.26 -4.47 116.67 110.16 2wdm s ASP 20 Ca 0.21 0.82 0.07 0.00 -0.52 0.00 0.00 52.55 53.12 2wdm s ASP 20 Cb -0.02 1.25 0.76 0.00 -1.46 0.00 0.00 42.92 43.44 2wdm s ASP 20 CO 0.47 -0.13 1.81 -0.37 0.52 0.00 0.00 175.17 177.47 2wdm h VAL 21 N 5.04 0.76 0.00 1.11 -1.51 -1.89 0.19 116.25 119.95 2wdm h VAL 21 Ca -0.27 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 64.92 2wdm h VAL 21 Cb 1.19 -0.07 -0.00 0.00 -2.13 0.00 0.00 31.29 30.27 2wdm h VAL 21 CO 0.19 0.14 -0.11 0.25 -1.23 0.00 0.00 177.57 176.81 2wdm h LEU 22 N 0.76 0.00 -0.22 4.19 5.85 -1.96 0.39 115.31 124.32 2wdm h LEU 22 Ca 0.54 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.13 2wdm h LEU 22 Cb 0.84 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2wdm h LEU 22 CO -0.32 0.11 -0.35 0.58 -0.34 0.00 0.00 178.44 178.13 2wdm h VAL 23 N 0.00 1.32 -0.08 1.05 2.07 -1.03 -2.96 116.25 116.63 2wdm h VAL 23 Ca -0.00 -1.56 -0.10 0.00 0.82 0.00 0.00 66.70 65.86 2wdm h VAL 23 Cb 0.20 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2wdm h VAL 23 CO 0.01 0.49 -0.34 0.71 0.02 0.00 0.00 177.57 178.46 2wdm h THR 24 N 0.31 1.42 -0.83 2.57 1.35 -1.13 -2.98 112.91 113.62 2wdm h THR 24 Ca 0.02 -1.73 0.16 0.00 -0.55 0.00 0.00 66.41 64.31 2wdm h THR 24 Cb 0.94 2.30 -0.16 0.00 -1.73 0.00 0.00 68.15 69.50 2wdm h THR 24 CO 0.08 0.50 -0.23 0.00 -0.25 0.00 0.00 175.52 175.62 2wdm h ALA 25 N 0.44 0.47 -0.74 6.62 0.00 -0.30 0.80 119.26 126.56 2wdm h ALA 25 Ca -0.02 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2wdm h ALA 25 Cb 0.98 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 2wdm h ALA 25 CO 0.07 -0.44 0.42 0.35 0.00 0.00 0.00 179.25 179.65 2wdm h PHE 26 N -0.01 1.00 -0.17 0.00 3.57 -1.56 -2.63 116.94 117.14 2wdm h PHE 26 Ca 0.38 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.80 2wdm h PHE 26 Cb 0.60 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2wdm h PHE 26 CO -0.67 0.69 -0.19 0.82 -2.23 0.00 0.00 178.31 176.73 2wdm h ILE 27 N 1.01 1.22 -0.69 1.41 2.04 0.59 -2.63 117.51 120.46 2wdm h ILE 27 Ca 0.26 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 2wdm h ILE 27 Cb 0.01 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2wdm h ILE 27 CO -0.04 0.31 0.22 0.78 0.00 0.00 0.00 178.15 179.42 2wdm h ASN 28 N 0.27 0.99 0.56 1.72 2.35 -0.18 -1.65 115.58 119.62 2wdm h ASN 28 Ca 0.05 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.53 2wdm h ASN 28 Cb 0.50 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2wdm h ASN 28 CO 0.03 0.91 -0.46 0.11 -1.65 0.00 0.00 177.43 176.37 2wdm h LYS 29 N 1.02 0.00 0.00 0.81 1.79 -1.37 -1.91 116.57 116.91 2wdm h LYS 29 Ca 0.23 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.64 2wdm h LYS 29 Cb 0.27 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2wdm h LYS 29 CO -0.01 0.46 -0.28 0.82 -1.08 0.00 0.00 179.45 179.37 2wdm h ILE 30 N 0.00 0.62 -2.96 1.86 1.08 -1.07 -3.45 117.51 113.58 2wdm h ILE 30 Ca -0.00 -1.32 -0.53 0.00 -0.39 0.00 0.00 64.86 62.62 2wdm h ILE 30 Cb 0.86 1.89 0.02 0.00 -3.07 0.00 0.00 36.82 36.52 2wdm h ILE 30 CO 0.06 0.27 0.76 -0.32 -0.69 0.00 0.00 178.15 178.23 2wdm s MET 31 N -3.54 4.30 -0.06 2.37 1.75 -0.68 -4.88 119.30 118.57 2wdm s MET 31 Ca 0.01 2.12 0.05 0.00 -1.25 0.00 0.00 55.69 56.61 2wdm s MET 31 Cb 0.10 -3.26 -0.00 0.00 2.84 0.00 0.00 34.83 34.50 2wdm s MET 31 CO 0.66 -0.48 -0.20 1.03 -0.65 0.00 0.00 175.02 175.39 2wdm s ARG 32 N 1.21 2.16 -2.14 4.11 0.52 -1.26 -4.72 118.95 118.84 2wdm s ARG 32 Ca 0.66 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 2wdm s ARG 32 Cb -0.38 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.29 2wdm s ARG 32 CO 0.30 0.25 0.00 -0.25 0.02 0.00 0.00 175.30 175.62 2wdm n ASP 33 N 3.22 -5.56 -0.17 0.23 8.00 -1.26 -2.38 116.55 118.63 2wdm n ASP 33 Ca -0.19 0.43 -0.02 0.00 0.71 0.00 0.00 54.79 55.73 2wdm n ASP 33 Cb 0.53 -4.84 -0.01 0.00 -0.02 0.00 0.00 41.12 36.78 2wdm n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdm n GLY 34 N -0.51 0.41 1.95 0.44 0.00 -1.26 -4.87 105.19 101.35 2wdm n GLY 34 Ca -0.21 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 2wdm n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdm n LYS 35 N -1.05 1.36 -0.54 1.61 5.02 -1.00 -4.69 118.16 118.86 2wdm n LYS 35 Ca -0.02 -0.56 0.43 0.00 -2.02 0.00 0.00 58.31 56.14 2wdm n LYS 35 Cb 0.31 -1.66 0.70 0.00 -0.02 0.00 0.00 35.03 34.36 2wdm n LYS 35 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2wdm n LYS 36 N 2.31 -0.02 -0.30 1.97 4.81 -1.26 -0.05 118.16 125.61 2wdm n LYS 36 Ca 0.24 1.15 -0.05 0.00 -0.87 0.00 0.00 58.31 58.79 2wdm n LYS 36 Cb 0.63 -2.40 0.07 0.00 0.02 0.00 0.00 35.03 33.36 2wdm n LYS 36 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 2wdm h ASN 37 N 0.00 1.00 -0.50 3.14 -0.73 -2.00 -2.50 115.58 114.00 2wdm h ASN 37 Ca 0.87 -0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.94 2wdm h ASN 37 Cb 3.06 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 41.38 2wdm h ASN 37 CO -0.30 0.80 0.24 0.25 -0.37 0.00 0.00 177.43 178.05 2wdm h LEU 38 N 1.13 0.65 -2.20 0.34 5.85 -0.87 -2.38 115.31 117.84 2wdm h LEU 38 Ca 0.29 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2wdm h LEU 38 Cb -0.00 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 2wdm h LEU 38 CO -0.05 0.60 -0.04 0.00 -0.34 0.00 0.00 178.44 178.61 2wdm h ALA 39 N 1.08 1.62 0.21 1.25 0.00 -1.48 -2.44 119.26 119.50 2wdm h ALA 39 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2wdm h ALA 39 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wdm h ALA 39 CO -0.02 0.04 -0.10 0.00 0.00 0.00 0.00 179.25 179.17 2wdm h ALA 40 N 1.96 -0.68 -0.63 0.00 0.00 -1.00 -2.72 119.26 116.19 2wdm h ALA 40 Ca -0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2wdm h ALA 40 Cb 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 2wdm h ALA 40 CO 0.00 -0.66 -0.38 0.00 0.00 0.00 0.00 179.25 178.21 2wdm h ARG 41 N -0.41 -0.01 -0.87 0.00 3.08 -1.42 -0.41 114.38 114.34 2wdm h ARG 41 Ca -0.03 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.13 2wdm h ARG 41 Cb 0.21 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.14 2wdm h ARG 41 CO 0.05 -0.01 -0.43 -0.89 -1.07 0.00 0.00 179.97 177.62 2wdm n ILE 42 N -4.47 -0.53 0.06 2.04 5.41 -0.93 0.50 119.36 121.44 2wdm n ILE 42 Ca 0.01 2.07 -0.12 0.00 1.00 0.00 0.00 62.75 65.71 2wdm n ILE 42 Cb 0.17 -2.64 -0.05 0.00 -0.71 0.00 0.00 39.64 36.41 2wdm n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 2wdm h PHE 43 N 0.00 -0.92 -0.49 1.39 3.57 -0.76 -2.52 116.94 117.21 2wdm h PHE 43 Ca 0.22 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 2wdm h PHE 43 Cb 0.43 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2wdm h PHE 43 CO -0.83 -0.42 0.29 1.88 -2.23 0.00 0.00 178.31 176.99 2wdm h TYR 44 N -0.48 0.65 -0.62 0.41 0.99 -0.29 -0.74 116.97 116.88 2wdm h TYR 44 Ca 0.06 -0.01 0.18 0.00 2.00 0.00 0.00 58.73 60.97 2wdm h TYR 44 Cb 0.57 -0.21 -0.02 0.00 1.00 0.00 0.00 36.73 38.07 2wdm h TYR 44 CO -0.36 0.46 0.56 -0.44 -0.00 0.00 0.00 178.16 178.38 2wdm h ASP 45 N 0.65 0.00 0.13 3.88 3.45 0.36 0.70 116.42 125.59 2wdm h ASP 45 Ca 0.17 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.42 2wdm h ASP 45 Cb 0.01 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.79 2wdm h ASP 45 CO -0.03 0.00 -1.01 0.00 -1.57 0.00 0.00 179.24 176.63 2wdm h ALA 46 N 1.47 -0.01 -0.92 3.45 0.00 -0.82 -2.90 119.26 119.54 2wdm h ALA 46 Ca 0.30 -0.82 0.25 0.00 0.00 0.00 0.00 54.91 54.63 2wdm h ALA 46 Cb 1.41 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 2wdm h ALA 46 CO -0.00 0.52 0.64 0.00 0.00 0.00 0.00 179.25 180.41 2wdm h LYS 48 N 0.12 0.00 0.00 0.00 1.57 -0.79 -2.64 116.57 114.83 2wdm h LYS 48 Ca 0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.21 2wdm h LYS 48 Cb 1.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.90 2wdm h LYS 48 CO -0.07 0.65 -0.10 0.82 -0.57 0.00 0.00 179.45 180.18 2wdm h ILE 49 N 0.00 0.27 0.09 1.86 1.08 0.15 -0.14 117.51 120.82 2wdm h ILE 49 Ca -0.01 -0.76 -0.00 0.00 -0.39 0.00 0.00 64.86 63.70 2wdm h ILE 49 Cb 1.47 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 36.82 2wdm h ILE 49 CO 0.08 0.10 -0.04 0.40 -0.69 0.00 0.00 178.15 178.00 2wdm h ILE 50 N 0.00 0.00 -1.15 -0.67 1.08 -0.72 0.26 117.51 116.31 2wdm h ILE 50 Ca -0.00 -0.14 0.34 0.00 -0.39 0.00 0.00 64.86 64.67 2wdm h ILE 50 Cb 0.59 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.23 2wdm h ILE 50 CO 0.01 0.00 0.74 1.56 -0.69 0.00 0.00 178.15 179.77 2wdm h GLN 51 N -0.26 0.25 0.00 2.37 1.08 -1.46 -1.28 115.11 115.80 2wdm h GLN 51 Ca -0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2wdm h GLN 51 Cb 0.09 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2wdm h GLN 51 CO 0.02 0.16 0.00 0.39 -0.95 0.00 0.00 178.83 178.45 2wdm n GLU 52 N -4.68 0.00 -1.13 1.46 -0.58 -0.07 -3.93 120.64 111.71 2wdm n GLU 52 Ca 0.31 0.09 -0.21 0.00 -0.42 0.00 0.00 57.16 56.93 2wdm n GLU 52 Cb 1.12 -0.96 -0.12 0.00 -0.57 0.00 0.00 31.44 30.90 2wdm n GLU 52 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wdm n LYS 53 N -0.78 2.59 0.00 3.49 5.02 0.92 -4.76 118.16 124.64 2wdm n LYS 53 Ca 0.00 -1.46 0.00 0.00 -2.02 0.00 0.00 58.31 54.83 2wdm n LYS 53 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.75 2wdm n LYS 53 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2wdm n THR 54 N 2.77 0.00 -0.94 -0.18 5.66 -0.53 -4.85 114.28 116.21 2wdm n THR 54 Ca 0.55 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 61.34 2wdm n THR 54 Cb 0.68 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.52 2wdm n THR 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wdm n GLY 55 N -1.63 4.44 3.76 1.09 0.00 -1.26 -3.56 105.19 108.03 2wdm n GLY 55 Ca 0.00 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 2wdm n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdm s GLN 56 N -2.28 2.81 -0.28 1.61 -1.52 -1.26 -5.04 119.66 113.70 2wdm s GLN 56 Ca 0.39 -0.81 -0.14 0.00 -1.95 0.00 0.00 55.36 52.85 2wdm s GLN 56 Cb 0.31 -2.64 -0.04 0.00 -0.22 0.00 0.00 33.01 30.41 2wdm s GLN 56 CO 0.00 0.52 0.32 -1.83 -0.25 0.00 0.00 175.29 174.05 2wdm s GLU 57 N -2.69 3.97 0.26 2.91 1.03 -1.26 -3.79 118.70 119.13 2wdm s GLU 57 Ca 0.29 -0.09 0.03 0.00 0.03 0.00 0.00 54.97 55.23 2wdm s GLU 57 Cb -0.11 -3.66 0.67 0.00 -0.80 0.00 0.00 34.13 30.22 2wdm s GLU 57 CO 0.22 -0.26 1.27 -2.30 -1.33 0.00 0.00 175.26 172.86 2wdm n PRO 58 N 5.25 -0.06 0.33 -4.83 -0.02 -1.26 0.16 135.00 134.56 2wdm n PRO 58 Ca -0.10 1.21 0.09 0.00 -2.02 0.00 0.00 63.50 62.67 2wdm n PRO 58 Cb 0.51 -1.94 0.46 0.00 -0.02 0.00 0.00 33.50 32.51 2wdm n PRO 58 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wdm h LEU 59 N 0.00 0.00 0.00 2.45 5.85 -1.97 -2.25 115.31 119.38 2wdm h LEU 59 Ca 0.51 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 59.13 2wdm h LEU 59 Cb 1.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2wdm h LEU 59 CO -0.75 0.00 -1.31 1.17 -0.34 0.00 0.00 178.44 177.20 2wdm n LYS 60 N -2.73 0.53 0.00 1.25 3.00 0.41 -4.00 118.16 116.62 2wdm n LYS 60 Ca -0.01 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 2wdm n LYS 60 Cb 0.66 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 34.27 2wdm n LYS 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2wdm n VAL 61 N -4.39 0.00 -0.35 3.15 0.31 -0.96 -1.40 118.33 114.68 2wdm n VAL 61 Ca -0.22 1.47 0.05 0.00 -0.01 0.00 0.00 64.34 65.62 2wdm n VAL 61 Cb 0.59 -2.09 0.12 0.00 -0.91 0.00 0.00 33.84 31.55 2wdm n VAL 61 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2wdm h PHE 62 N 0.00 -0.58 -1.03 3.52 3.57 -1.70 1.00 116.94 121.71 2wdm h PHE 62 Ca 0.00 0.09 0.26 0.00 3.53 0.00 0.00 57.97 61.85 2wdm h PHE 62 Cb 0.00 0.41 -0.10 0.00 2.79 0.00 0.00 35.95 39.04 2wdm h PHE 62 CO -0.60 -0.42 0.65 -0.22 -2.23 0.00 0.00 178.31 175.49 2wdm h LYS 63 N -0.00 0.44 0.12 1.11 1.63 -1.37 -0.46 116.57 118.05 2wdm h LYS 63 Ca 0.45 -0.03 -0.34 0.00 -0.85 0.00 0.00 60.65 59.89 2wdm h LYS 63 Cb 0.70 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 2wdm h LYS 63 CO -1.00 0.29 -1.80 0.37 -3.45 0.00 0.00 179.45 173.86 2wdm h GLN 64 N 0.46 0.26 -0.67 1.90 5.75 0.19 -3.24 115.11 119.76 2wdm h GLN 64 Ca 0.61 -0.44 0.09 0.00 -0.15 0.00 0.00 58.65 58.76 2wdm h GLN 64 Cb 1.41 0.16 -0.07 0.00 1.07 0.00 0.00 27.48 30.06 2wdm h GLN 64 CO -0.35 1.12 0.31 0.00 -2.65 0.00 0.00 178.83 177.26 2wdm h ALA 65 N 0.30 0.90 -0.22 3.38 0.00 0.39 0.32 119.26 124.33 2wdm h ALA 65 Ca -0.35 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2wdm h ALA 65 Cb 2.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2wdm h ALA 65 CO 0.12 -0.10 0.03 0.28 0.00 0.00 0.00 179.25 179.58 2wdm h VAL 66 N 0.53 1.13 -0.04 0.00 2.07 -1.26 -3.10 116.25 115.58 2wdm h VAL 66 Ca 0.33 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2wdm h VAL 66 Cb 0.37 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2wdm h VAL 66 CO -0.28 0.16 -0.20 -0.08 0.02 0.00 0.00 177.57 177.19 2wdm h GLU 67 N 0.32 0.21 -0.17 1.57 4.57 -0.49 -3.11 114.58 117.48 2wdm h GLU 67 Ca 0.08 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2wdm h GLU 67 Cb 0.18 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2wdm h GLU 67 CO 0.00 0.83 0.00 0.09 -1.18 0.00 0.00 179.01 178.75 2wdm n ASN 68 N -4.55 0.17 0.00 1.04 3.02 0.05 -2.22 115.26 112.77 2wdm n ASN 68 Ca -0.09 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 2wdm n ASN 68 Cb 0.44 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 2wdm n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wdm n VAL 69 N -0.33 0.00 -2.28 2.41 0.31 -1.20 -4.68 118.33 112.57 2wdm n VAL 69 Ca 0.00 -0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 63.54 2wdm n VAL 69 Cb 0.04 1.18 -0.02 0.00 -0.91 0.00 0.00 33.84 34.12 2wdm n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wdm s LYS 70 N -0.24 3.37 -0.38 5.55 1.02 -0.94 -4.41 119.74 123.71 2wdm s LYS 70 Ca 0.00 0.83 -0.28 0.00 0.02 0.00 0.00 55.97 56.54 2wdm s LYS 70 Cb 0.00 -4.11 -0.03 0.00 -0.52 0.00 0.00 37.83 33.16 2wdm s LYS 70 CO 0.00 -1.83 1.97 -1.25 -0.92 0.00 0.00 175.35 173.32 2wdm s PRO 71 N 5.41 3.00 0.29 -1.68 0.04 -1.26 -4.87 135.00 135.92 2wdm s PRO 71 Ca 0.62 1.38 0.03 0.00 0.04 0.00 0.00 61.00 63.07 2wdm s PRO 71 Cb -0.14 -4.32 0.66 0.00 0.04 0.00 0.00 34.50 30.74 2wdm s PRO 71 CO 0.29 -2.26 1.78 -0.09 0.04 0.00 0.00 177.00 176.76 2wdm h ARG 72 N 14.58 0.72 -2.65 4.56 9.65 -1.93 -3.42 114.38 135.90 2wdm h ARG 72 Ca -0.32 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.42 2wdm h ARG 72 Cb 1.19 -0.16 -0.20 0.00 -1.39 0.00 0.00 29.97 29.41 2wdm h ARG 72 CO 1.07 0.48 -0.12 -1.64 2.80 0.00 0.00 179.97 182.56 2wdm s MET 73 N -5.90 0.75 0.27 0.20 -1.94 -1.26 -3.48 119.30 107.94 2wdm s MET 73 Ca -0.12 0.12 0.03 0.00 -1.71 0.00 0.00 55.69 54.01 2wdm s MET 73 Cb 0.24 0.35 -0.04 0.00 2.01 0.00 0.00 34.83 37.39 2wdm s MET 73 CO 0.80 -0.20 0.18 -1.83 -0.01 0.00 0.00 175.02 173.96 2wdm s GLU 74 N -0.95 1.48 -0.24 2.03 -1.05 -0.56 -3.91 118.70 115.49 2wdm s GLU 74 Ca -0.10 -1.82 -0.05 0.00 -0.15 0.00 0.00 54.97 52.84 2wdm s GLU 74 Cb -0.03 0.19 -0.01 0.00 -0.44 0.00 0.00 34.13 33.83 2wdm s GLU 74 CO 0.05 -0.48 0.01 0.14 0.95 0.00 0.00 175.26 175.93 2wdm s VAL 75 N -3.79 3.77 -0.20 1.83 -7.23 -1.26 -0.36 120.40 113.16 2wdm s VAL 75 Ca 0.39 -0.40 -0.06 0.00 -1.81 0.00 0.00 61.98 60.09 2wdm s VAL 75 Cb 0.05 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 2wdm s VAL 75 CO 0.18 0.35 0.03 -0.13 -0.31 0.00 0.00 175.10 175.23 2wdm s ARG 76 N 1.53 3.76 -0.22 4.82 0.52 -0.34 -4.96 118.95 124.05 2wdm s ARG 76 Ca 0.06 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 54.52 2wdm s ARG 76 Cb -0.15 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.15 2wdm s ARG 76 CO -0.00 0.08 1.33 0.45 0.02 0.00 0.00 175.30 177.18 2wdm s SER 77 N 0.86 6.76 0.38 0.23 0.15 -1.26 -2.91 113.70 117.91 2wdm s SER 77 Ca 0.02 1.50 0.08 0.00 0.70 0.00 0.00 55.95 58.25 2wdm s SER 77 Cb -0.14 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 2wdm s SER 77 CO 0.02 -0.96 0.15 -0.60 1.20 0.00 0.00 173.24 173.06 2wdm s ARG 78 N 3.93 2.25 0.11 5.44 6.06 -0.94 -4.97 118.95 130.83 2wdm s ARG 78 Ca 0.58 -1.75 0.08 0.00 -2.50 0.00 0.00 55.73 52.14 2wdm s ARG 78 Cb -0.20 -2.03 -0.04 0.00 0.06 0.00 0.00 34.95 32.73 2wdm s ARG 78 CO 0.20 -0.02 -0.11 1.03 -2.50 0.00 0.00 175.30 173.90 2wdm s ARG 79 N -3.87 2.07 0.00 5.12 1.81 -1.26 -3.20 118.95 119.62 2wdm s ARG 79 Ca 0.39 -1.07 0.00 0.00 -1.72 0.00 0.00 55.73 53.33 2wdm s ARG 79 Cb 0.02 -2.26 0.00 0.00 -0.45 0.00 0.00 34.95 32.25 2wdm s ARG 79 CO 0.22 0.50 0.00 1.33 -0.68 0.00 0.00 175.30 176.67 2wdm n VAL 80 N 0.64 0.00 0.00 3.52 0.24 -1.24 -5.00 118.33 116.49 2wdm n VAL 80 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2wdm n VAL 80 Cb 0.53 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 2wdm n VAL 80 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdm n GLY 81 N 0.00 0.66 4.61 7.63 0.00 -1.26 -4.85 105.19 111.98 2wdm n GLY 81 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2wdm n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdm n GLY 82 N 0.90 1.05 3.60 -0.02 0.00 -1.26 -4.76 105.19 104.69 2wdm n GLY 82 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2wdm n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdm s ALA 83 N -0.15 -1.84 -1.08 4.61 0.00 -1.26 -5.08 121.76 116.96 2wdm s ALA 83 Ca 0.00 1.76 -0.05 0.00 0.00 0.00 0.00 51.96 53.67 2wdm s ALA 83 Cb 0.00 -0.88 0.30 0.00 0.00 0.00 0.00 23.12 22.54 2wdm s ALA 83 CO 0.00 -0.32 1.38 0.09 0.00 0.00 0.00 175.76 176.91 2wdm n ASN 84 N 1.86 6.16 -4.48 0.00 3.02 -1.26 -3.66 115.26 116.89 2wdm n ASN 84 Ca -0.14 -3.33 -0.34 0.00 -0.03 0.00 0.00 54.58 50.73 2wdm n ASN 84 Cb 0.56 -1.28 0.10 0.00 -0.61 0.00 0.00 39.78 38.55 2wdm n ASN 84 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2wdm n TYR 85 N 1.61 -0.71 -3.79 3.10 0.53 -1.19 -4.76 117.16 111.94 2wdm n TYR 85 Ca 0.26 0.31 -0.32 0.00 -1.02 0.00 0.00 57.90 57.13 2wdm n TYR 85 Cb 0.35 -1.89 -0.10 0.00 -1.03 0.00 0.00 39.34 36.66 2wdm n TYR 85 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 2wdm s GLN 86 N -3.37 2.77 0.31 -0.72 -0.21 -1.26 -2.22 119.66 114.95 2wdm s GLN 86 Ca 0.63 -3.27 -0.29 0.00 0.02 0.00 0.00 55.36 52.45 2wdm s GLN 86 Cb -0.28 -3.64 -0.11 0.00 1.00 0.00 0.00 33.01 29.98 2wdm s GLN 86 CO 0.61 -1.27 1.52 0.08 -2.12 0.00 0.00 175.29 174.11 2wdm s VAL 87 N -1.33 2.21 0.05 1.09 1.01 -1.15 -4.77 120.40 117.52 2wdm s VAL 87 Ca 0.25 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2wdm s VAL 87 Cb -0.07 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2wdm s VAL 87 CO -0.14 0.04 0.18 -2.16 0.00 0.00 0.00 175.10 173.01 2wdm s PRO 88 N -1.00 3.33 0.07 2.72 0.04 -1.26 -1.20 135.00 137.70 2wdm s PRO 88 Ca 0.59 -0.47 -0.27 0.00 0.04 0.00 0.00 61.00 60.89 2wdm s PRO 88 Cb -0.46 -2.99 0.09 0.00 0.04 0.00 0.00 34.50 31.18 2wdm s PRO 88 CO 0.52 0.61 1.02 0.00 0.04 0.00 0.00 177.00 179.19 2wdm s MET 89 N -2.37 0.91 0.90 4.56 0.23 0.52 -4.80 119.30 119.26 2wdm s MET 89 Ca 0.32 -0.47 -0.10 0.00 -1.03 0.00 0.00 55.69 54.41 2wdm s MET 89 Cb -0.13 0.34 0.14 0.00 -1.53 0.00 0.00 34.83 33.65 2wdm s MET 89 CO 0.25 -0.41 1.15 -1.21 -2.03 0.00 0.00 175.02 172.77 2wdm s GLU 90 N -3.04 1.07 -0.21 3.16 2.02 -1.26 -1.49 118.70 118.95 2wdm s GLU 90 Ca 0.11 1.56 -0.02 0.00 0.02 0.00 0.00 54.97 56.64 2wdm s GLU 90 Cb -0.00 -1.73 0.01 0.00 0.10 0.00 0.00 34.13 32.50 2wdm s GLU 90 CO -0.02 -2.60 -0.10 0.08 0.02 0.00 0.00 175.26 172.65 2wdm s VAL 91 N -2.62 2.84 0.21 2.63 1.01 -1.23 -4.75 120.40 118.50 2wdm s VAL 91 Ca 0.67 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 2wdm s VAL 91 Cb -0.23 -2.28 -0.15 0.00 0.00 0.00 0.00 36.38 33.72 2wdm s VAL 91 CO 0.57 0.44 1.16 -0.24 0.00 0.00 0.00 175.10 177.03 2wdm n SER 92 N 4.72 1.54 -0.36 3.32 2.88 -1.26 -4.47 113.62 119.99 2wdm n SER 92 Ca -0.19 1.15 0.26 0.00 -1.33 0.00 0.00 58.87 58.76 2wdm n SER 92 Cb 0.50 -1.27 0.52 0.00 -0.75 0.00 0.00 64.21 63.21 2wdm n SER 92 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2wdm h PRO 93 N 3.14 0.32 0.28 -1.46 0.13 -1.98 0.67 132.00 133.10 2wdm h PRO 93 Ca -0.42 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wdm h PRO 93 Cb 1.33 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2wdm h PRO 93 CO 0.68 0.21 -0.38 0.00 -0.23 0.00 0.00 178.00 178.29 2wdm h ARG 94 N 0.33 -0.65 -0.72 0.86 3.08 -1.99 0.21 114.38 115.49 2wdm h ARG 94 Ca 0.69 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.82 2wdm h ARG 94 Cb 1.76 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 31.91 2wdm h ARG 94 CO -0.42 -0.44 0.44 -0.09 -1.07 0.00 0.00 179.97 178.39 2wdm h ARG 95 N -0.68 0.83 -0.93 0.04 2.43 -1.23 0.11 114.38 114.94 2wdm h ARG 95 Ca -0.03 -0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.22 2wdm h ARG 95 Cb 0.61 -0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.90 2wdm h ARG 95 CO -0.10 0.55 0.60 0.37 -1.51 0.00 0.00 179.97 179.87 2wdm h GLN 96 N 0.85 0.79 0.04 0.20 4.15 0.67 0.93 115.11 122.75 2wdm h GLN 96 Ca 0.30 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.67 2wdm h GLN 96 Cb 0.06 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.57 2wdm h GLN 96 CO -0.13 0.52 -0.02 0.37 -1.93 0.00 0.00 178.83 177.65 2wdm h GLN 97 N 0.82 -0.06 -0.80 1.69 4.15 0.30 -3.05 115.11 118.15 2wdm h GLN 97 Ca 0.47 0.00 0.19 0.00 0.77 0.00 0.00 58.65 60.08 2wdm h GLN 97 Cb 0.62 0.01 -0.14 0.00 0.21 0.00 0.00 27.48 28.18 2wdm h GLN 97 CO -0.23 0.37 -0.02 0.77 -1.93 0.00 0.00 178.83 177.79 2wdm h SER 98 N -0.98 -0.43 0.50 -0.69 0.02 -0.47 0.22 113.55 111.72 2wdm h SER 98 Ca -0.01 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 2wdm h SER 98 Cb 0.45 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2wdm h SER 98 CO 0.01 -0.22 -0.24 -0.07 -1.14 0.00 0.00 176.83 175.17 2wdm h LEU 99 N 0.07 -0.57 -0.83 5.07 3.38 -0.96 -0.56 115.31 120.92 2wdm h LEU 99 Ca 0.44 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.52 2wdm h LEU 99 Cb 0.78 0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.57 2wdm h LEU 99 CO -0.73 -0.40 -0.54 0.00 0.09 0.00 0.00 178.44 176.85 2wdm h ALA 100 N -1.69 -0.49 -0.52 1.53 0.00 -1.26 0.48 119.26 117.30 2wdm h ALA 100 Ca -0.07 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2wdm h ALA 100 Cb 0.51 1.24 -0.10 0.00 0.00 0.00 0.00 17.79 19.44 2wdm h ALA 100 CO 0.11 -0.93 -0.38 -0.07 0.00 0.00 0.00 179.25 177.98 2wdm h LEU 101 N -0.11 -1.28 0.61 0.00 3.38 -0.57 -1.44 115.31 115.90 2wdm h LEU 101 Ca 0.17 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 2wdm h LEU 101 Cb 0.49 0.60 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2wdm h LEU 101 CO -0.85 -0.33 -0.46 -0.09 0.09 0.00 0.00 178.44 176.81 2wdm h ARG 102 N -0.22 -1.00 -0.73 1.13 2.43 0.11 -3.00 114.38 113.11 2wdm h ARG 102 Ca 0.19 0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.59 2wdm h ARG 102 Cb 0.56 0.23 -0.13 0.00 -0.42 0.00 0.00 29.97 30.21 2wdm h ARG 102 CO -0.64 -0.66 -0.02 -1.49 -1.51 0.00 0.00 179.97 175.64 2wdm h TRP 103 N -1.03 -0.10 -0.27 2.20 6.55 0.08 0.17 115.95 123.55 2wdm h TRP 103 Ca -0.08 0.06 0.06 0.00 0.95 0.00 0.00 58.89 59.87 2wdm h TRP 103 Cb 0.86 0.16 -0.08 0.00 -0.86 0.00 0.00 29.16 29.24 2wdm h TRP 103 CO -0.16 -0.24 -0.43 -0.07 -1.05 0.00 0.00 178.44 176.49 2wdm h LEU 104 N 0.09 -1.38 -0.27 -4.49 -0.00 -1.18 0.31 115.31 108.39 2wdm h LEU 104 Ca 0.39 0.20 0.06 0.00 -0.00 0.00 0.00 57.88 58.53 2wdm h LEU 104 Cb 0.67 0.58 -0.08 0.00 -0.00 0.00 0.00 40.66 41.84 2wdm h LEU 104 CO -0.66 -0.40 -0.37 0.58 -0.00 0.00 0.00 178.44 177.60 2wdm h VAL 105 N -0.41 0.20 0.03 1.22 2.07 -0.88 -1.45 116.25 117.03 2wdm h VAL 105 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2wdm h VAL 105 Cb 0.60 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2wdm h VAL 105 CO -0.49 0.00 -0.18 1.56 0.02 0.00 0.00 177.57 178.48 2wdm h GLN 106 N -0.36 -0.24 -1.05 1.57 4.20 0.06 -1.85 115.11 117.44 2wdm h GLN 106 Ca 0.12 0.02 0.36 0.00 0.06 0.00 0.00 58.65 59.20 2wdm h GLN 106 Cb 0.57 0.06 -0.15 0.00 0.30 0.00 0.00 27.48 28.26 2wdm h GLN 106 CO -0.46 -0.16 0.61 0.00 -0.67 0.00 0.00 178.83 178.15 2wdm h ALA 107 N -1.19 2.13 -0.33 3.87 0.00 -0.27 0.37 119.26 123.84 2wdm h ALA 107 Ca -0.00 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2wdm h ALA 107 Cb 0.26 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2wdm h ALA 107 CO -0.11 -0.77 0.11 0.00 0.00 0.00 0.00 179.25 178.48 2wdm h ALA 108 N 1.83 0.43 0.00 0.00 0.00 -0.63 -2.59 119.26 118.31 2wdm h ALA 108 Ca 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.52 2wdm h ALA 108 Cb 1.92 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2wdm h ALA 108 CO -0.60 0.07 0.00 0.09 0.00 0.00 0.00 179.25 178.81 2wdm n ASN 109 N -4.67 0.04 -0.05 0.00 3.02 0.13 -2.05 115.26 111.68 2wdm n ASN 109 Ca -0.02 -1.14 -0.05 0.00 -0.03 0.00 0.00 54.58 53.35 2wdm n ASN 109 Cb 0.17 -0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 2wdm n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wdm n GLN 110 N -0.44 2.18 -1.68 3.52 6.02 -0.98 -5.01 117.38 120.99 2wdm n GLN 110 Ca 0.00 0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.59 2wdm n GLN 110 Cb 0.01 -1.23 0.01 0.00 1.02 0.00 0.00 30.24 30.05 2wdm n GLN 110 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wdm n ARG 111 N -2.41 1.73 0.00 -1.09 1.74 -0.87 -4.88 116.66 110.88 2wdm n ARG 111 Ca -0.16 0.62 0.03 0.00 -0.77 0.00 0.00 57.85 57.57 2wdm n ARG 111 Cb 0.79 -2.30 0.14 0.00 -1.02 0.00 0.00 32.46 30.06 2wdm n ARG 111 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wdm n PRO 112 N -0.02 0.07 -1.83 5.56 -0.04 -1.26 -4.83 135.00 132.64 2wdm n PRO 112 Ca 0.08 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.38 2wdm n PRO 112 Cb 0.40 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 2wdm n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wdm s GLU 113 N -2.65 4.16 0.01 0.54 0.41 -1.26 -4.92 118.70 114.99 2wdm s GLU 113 Ca 0.05 2.51 -0.23 0.00 -0.41 0.00 0.00 54.97 56.89 2wdm s GLU 113 Cb 0.04 -3.06 -0.17 0.00 -1.78 0.00 0.00 34.13 29.15 2wdm s GLU 113 CO 0.09 -0.62 1.31 0.00 -0.49 0.00 0.00 175.26 175.55 2wdm h ARG 114 N 5.54 0.18 -7.31 1.61 2.47 -2.01 -3.46 114.38 111.40 2wdm h ARG 114 Ca -0.45 -0.09 -0.51 0.00 -1.26 0.00 0.00 59.98 57.66 2wdm h ARG 114 Cb 1.21 0.00 0.10 0.00 -1.65 0.00 0.00 29.97 29.64 2wdm h ARG 114 CO 0.84 0.61 0.35 1.03 0.56 0.00 0.00 179.97 183.36 2wdm s ARG 115 N -4.30 2.75 0.00 0.04 0.52 -1.26 -5.04 118.95 111.66 2wdm s ARG 115 Ca -0.15 1.07 0.00 0.00 -0.52 0.00 0.00 55.73 56.13 2wdm s ARG 115 Cb 0.03 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.54 2wdm s ARG 115 CO 0.71 -1.25 0.15 0.00 0.02 0.00 0.00 175.30 174.93 2wdm n ALA 116 N -3.12 -0.01 -0.30 2.13 0.00 -1.26 -3.74 120.51 114.22 2wdm n ALA 116 Ca 0.08 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.80 2wdm n ALA 116 Cb 0.53 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.50 2wdm n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdm n ALA 117 N -0.64 0.90 -0.18 0.00 0.00 -1.26 0.58 120.51 119.91 2wdm n ALA 117 Ca 0.00 0.95 -0.02 0.00 0.00 0.00 0.00 53.44 54.37 2wdm n ALA 117 Cb 0.00 -0.92 0.08 0.00 0.00 0.00 0.00 19.45 18.61 2wdm n ALA 117 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2wdm h VAL 118 N 0.00 0.79 0.90 0.00 -1.51 -1.90 1.55 116.25 116.08 2wdm h VAL 118 Ca 0.76 -0.12 -0.04 0.00 -1.23 0.00 0.00 66.70 66.06 2wdm h VAL 118 Cb 1.98 0.40 0.01 0.00 -2.13 0.00 0.00 31.29 31.55 2wdm h VAL 118 CO -0.73 0.07 -0.43 0.03 -1.23 0.00 0.00 177.57 175.27 2wdm h ARG 119 N 0.36 -1.17 -0.49 5.19 3.08 0.05 0.19 114.38 121.59 2wdm h ARG 119 Ca 0.27 0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.50 2wdm h ARG 119 Cb 0.31 0.27 -0.10 0.00 0.08 0.00 0.00 29.97 30.53 2wdm h ARG 119 CO -0.28 -0.77 -0.21 0.82 -1.07 0.00 0.00 179.97 178.46 2wdm h ILE 120 N -1.28 0.37 0.36 2.04 1.08 -0.99 0.84 117.51 119.93 2wdm h ILE 120 Ca -0.12 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 2wdm h ILE 120 Cb 0.93 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 2wdm h ILE 120 CO 0.20 0.00 -0.33 0.00 -0.69 0.00 0.00 178.15 177.33 2wdm h ALA 121 N 1.26 -1.04 -0.76 1.87 0.00 0.23 0.66 119.26 121.48 2wdm h ALA 121 Ca 0.23 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.15 2wdm h ALA 121 Cb 0.46 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 2wdm h ALA 121 CO -0.55 -1.05 0.30 0.45 0.00 0.00 0.00 179.25 178.40 2wdm h HIS 122 N -0.68 0.52 -0.70 0.00 3.86 -0.10 -0.42 115.15 117.62 2wdm h HIS 122 Ca -0.05 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2wdm h HIS 122 Cb 0.58 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 2wdm h HIS 122 CO -0.16 0.06 0.44 1.49 0.86 0.00 0.00 177.93 180.62 2wdm h GLU 123 N 0.44 0.94 -0.59 2.45 4.57 0.96 -1.07 114.58 122.28 2wdm h GLU 123 Ca 0.42 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.49 2wdm h GLU 123 Cb 0.64 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 2wdm h GLU 123 CO -0.41 0.64 0.21 -0.07 -1.18 0.00 0.00 179.01 178.20 2wdm h LEU 124 N 0.95 0.85 0.02 1.64 3.38 0.68 -0.75 115.31 122.08 2wdm h LEU 124 Ca 0.25 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2wdm h LEU 124 Cb -0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2wdm h LEU 124 CO -0.05 0.81 -0.06 0.24 0.09 0.00 0.00 178.44 179.47 2wdm h MET 125 N 0.83 -0.10 -0.64 1.13 2.86 -0.72 0.43 114.93 118.73 2wdm h MET 125 Ca 0.19 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 2wdm h MET 125 Cb 0.25 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 2wdm h MET 125 CO -0.01 -0.07 0.42 -0.44 1.06 0.00 0.00 176.91 177.87 2wdm h ASP 126 N -0.11 0.73 0.86 1.22 3.45 -1.06 0.19 116.42 121.69 2wdm h ASP 126 Ca 0.02 -0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 2wdm h ASP 126 Cb 0.13 -0.18 0.01 0.00 -0.56 0.00 0.00 39.33 38.72 2wdm h ASP 126 CO -0.04 0.53 -0.41 0.00 -1.57 0.00 0.00 179.24 177.74 2wdm h ALA 127 N 1.23 -1.16 -0.45 3.45 0.00 -0.77 0.75 119.26 122.33 2wdm h ALA 127 Ca 0.23 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2wdm h ALA 127 Cb -0.10 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 2wdm h ALA 127 CO -0.05 -1.08 -0.23 0.00 0.00 0.00 0.00 179.25 177.89 2wdm h ALA 128 N -1.30 0.07 -0.64 0.00 0.00 -0.07 0.48 119.26 117.81 2wdm h ALA 128 Ca -0.12 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2wdm h ALA 128 Cb 0.89 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 2wdm h ALA 128 CO 0.19 -0.59 0.29 1.49 0.00 0.00 0.00 179.25 180.64 2wdm h GLU 129 N -0.14 0.51 0.00 0.00 4.81 -0.57 -3.43 114.58 115.76 2wdm h GLU 129 Ca 0.21 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2wdm h GLU 129 Cb 0.47 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2wdm h GLU 129 CO -0.54 0.34 0.00 0.41 -0.73 0.00 0.00 179.01 178.49 2wdm n GLY 130 N -1.29 0.61 1.66 1.92 0.00 0.17 -5.08 105.19 103.18 2wdm n GLY 130 Ca 0.09 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.46 2wdm n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wdm n LYS 131 N 0.00 0.36 -3.92 1.61 2.85 0.21 -4.97 118.16 114.31 2wdm n LYS 131 Ca 0.00 -0.38 -0.21 0.00 -1.05 0.00 0.00 58.31 56.67 2wdm n LYS 131 Cb 0.00 0.20 -0.02 0.00 -0.65 0.00 0.00 35.03 34.56 2wdm n LYS 131 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2wdm s GLY 132 N -0.36 1.27 0.54 2.58 0.00 -1.20 -4.79 107.32 105.37 2wdm s GLY 132 Ca 0.02 -1.27 0.26 0.00 0.00 0.00 0.00 44.72 43.73 2wdm s GLY 132 CO -0.03 -1.28 1.99 -1.33 0.00 0.00 0.00 173.10 172.44 2wdm h GLY 133 N 1.16 0.00 0.99 0.20 0.00 -1.92 0.55 103.07 104.04 2wdm h GLY 133 Ca -0.51 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 2wdm h GLY 133 CO 0.60 0.00 0.25 0.00 0.00 0.00 0.00 176.54 177.39 2wdm h ALA 134 N 1.70 0.75 -0.11 3.60 0.00 -1.92 0.12 119.26 123.40 2wdm h ALA 134 Ca 0.25 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 2wdm h ALA 134 Cb 1.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2wdm h ALA 134 CO -0.00 0.35 -0.65 0.28 0.00 0.00 0.00 179.25 179.22 2wdm h VAL 135 N 0.80 1.36 -0.24 0.00 2.07 -0.42 -2.47 116.25 117.34 2wdm h VAL 135 Ca 0.20 -2.00 0.05 0.00 0.82 0.00 0.00 66.70 65.77 2wdm h VAL 135 Cb 0.17 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 2wdm h VAL 135 CO -0.02 0.60 -0.11 0.50 0.02 0.00 0.00 177.57 178.56 2wdm h LYS 136 N 0.29 -0.08 0.00 1.57 3.11 0.49 0.35 116.57 122.31 2wdm h LYS 136 Ca -0.01 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2wdm h LYS 136 Cb 1.20 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.44 2wdm h LYS 136 CO 0.11 -0.05 -0.02 0.87 -2.81 0.00 0.00 179.45 177.55 2wdm h LYS 137 N -0.08 0.00 0.11 1.90 1.79 -0.61 0.27 116.57 119.96 2wdm h LYS 137 Ca 0.13 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2wdm h LYS 137 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2wdm h LYS 137 CO -0.30 0.02 -0.05 -0.22 -1.08 0.00 0.00 179.45 177.82 2wdm h LYS 138 N 0.00 -0.15 -0.93 3.15 3.64 0.06 -2.97 116.57 119.38 2wdm h LYS 138 Ca -0.00 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 2wdm h LYS 138 Cb 0.18 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.97 2wdm h LYS 138 CO 0.00 -0.10 0.60 0.93 -2.27 0.00 0.00 179.45 178.61 2wdm h GLU 139 N -0.46 0.90 -0.49 1.90 5.08 -0.91 0.95 114.58 121.55 2wdm h GLU 139 Ca -0.02 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2wdm h GLU 139 Cb 0.12 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2wdm h GLU 139 CO 0.03 0.60 0.33 0.22 -1.00 0.00 0.00 179.01 179.18 2wdm h ASP 140 N 0.93 0.30 0.32 1.42 3.58 -0.57 -0.76 116.42 121.65 2wdm h ASP 140 Ca 0.43 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.56 2wdm h ASP 140 Cb 0.42 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 2wdm h ASP 140 CO -0.20 0.19 -1.67 0.58 -2.88 0.00 0.00 179.24 175.27 2wdm h VAL 141 N 0.34 1.01 0.00 2.25 2.07 -0.71 -3.23 116.25 117.98 2wdm h VAL 141 Ca 0.22 -2.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.09 2wdm h VAL 141 Cb 0.42 2.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2wdm h VAL 141 CO -0.05 0.83 -0.03 -0.33 0.02 0.00 0.00 177.57 178.01 2wdm h GLU 142 N 0.08 0.00 -0.06 1.57 5.08 -0.58 -1.90 114.58 118.77 2wdm h GLU 142 Ca -0.30 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.81 2wdm h GLU 142 Cb 2.05 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.32 2wdm h GLU 142 CO 0.16 0.03 -0.94 0.00 -1.00 0.00 0.00 179.01 177.26 2wdm h ARG 143 N 0.00 0.72 -0.09 2.33 3.08 -1.20 -3.14 114.38 116.09 2wdm h ARG 143 Ca -0.00 -0.70 0.03 0.00 0.07 0.00 0.00 59.98 59.38 2wdm h ARG 143 Cb 0.25 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 2wdm h ARG 143 CO 0.00 1.29 0.24 0.52 -1.07 0.00 0.00 179.97 180.95 2wdm h MET 144 N 0.44 0.00 -6.45 0.04 2.86 -1.36 -3.33 114.93 107.14 2wdm h MET 144 Ca -0.10 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.05 2wdm h MET 144 Cb 1.58 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.25 2wdm h MET 144 CO 0.19 0.00 -0.18 0.00 1.06 0.00 0.00 176.91 177.98 2wdm s ALA 145 N -4.29 4.59 0.00 6.32 0.00 -1.19 -3.75 121.76 123.44 2wdm s ALA 145 Ca -0.04 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.02 2wdm s ALA 145 Cb 0.12 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.93 2wdm s ALA 145 CO 0.40 -0.66 0.00 0.39 0.00 0.00 0.00 175.76 175.89 2wdm n GLU 146 N -2.05 0.00 0.12 0.00 -0.58 -1.26 -4.30 120.64 112.58 2wdm n GLU 146 Ca 0.10 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.61 2wdm n GLU 146 Cb 0.62 -0.97 -0.15 0.00 -0.57 0.00 0.00 31.44 30.37 2wdm n GLU 146 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdm h ALA 147 N 0.00 -0.08 -0.52 0.62 0.00 -1.74 -3.09 119.26 114.45 2wdm h ALA 147 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2wdm h ALA 147 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wdm h ALA 147 CO 0.00 0.72 0.00 0.09 0.00 0.00 0.00 179.25 180.06 2wdm n ASN 148 N -3.73 5.40 0.00 0.00 5.03 -1.25 -4.37 115.26 116.35 2wdm n ASN 148 Ca -0.15 -2.94 0.00 0.00 0.87 0.00 0.00 54.58 52.36 2wdm n ASN 148 Cb 1.05 -0.66 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 2wdm n ASN 148 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2wdm n ARG 149 N 0.43 0.00 0.03 3.52 0.63 -1.17 -0.96 116.66 119.14 2wdm n ARG 149 Ca 0.27 0.26 -0.13 0.00 -0.92 0.00 0.00 57.85 57.33 2wdm n ARG 149 Cb 1.14 -1.55 -0.09 0.00 0.45 0.00 0.00 32.46 32.42 2wdm n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdm h ALA 150 N 1.69 -0.06 -0.04 5.13 0.00 -1.84 -3.13 119.26 121.01 2wdm h ALA 150 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wdm h ALA 150 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wdm h ALA 150 CO 0.00 -0.39 0.00 0.66 0.00 0.00 0.00 179.25 179.52 2wdm n TYR 151 N -4.98 0.03 0.07 0.00 4.02 -0.13 -4.27 117.16 111.90 2wdm n TYR 151 Ca -0.08 -0.02 0.03 0.00 -0.01 0.00 0.00 57.90 57.82 2wdm n TYR 151 Cb 0.18 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.66 2wdm n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wdm n ALA 152 N 0.23 0.66 0.16 -0.72 0.00 -1.10 -1.65 120.51 118.09 2wdm n ALA 152 Ca 0.18 0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.62 2wdm n ALA 152 Cb 0.36 -0.74 0.04 0.00 0.00 0.00 0.00 19.45 19.11 2wdm n ALA 152 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2wdm n HIS 153 N -1.65 0.75 -0.67 0.00 1.44 -1.26 -2.35 115.22 111.48 2wdm n HIS 153 Ca -0.00 -1.00 0.00 0.00 -2.01 0.00 0.00 57.72 54.71 2wdm n HIS 153 Cb 0.22 -0.50 0.00 0.00 0.12 0.00 0.00 29.99 29.83 2wdm n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2wdm n TYR 154 N 0.32 0.00 -0.11 -1.40 0.53 -0.66 -4.95 117.16 110.89 2wdm n TYR 154 Ca 0.15 -0.17 0.10 0.00 -1.02 0.00 0.00 57.90 56.96 2wdm n TYR 154 Cb 0.72 -0.02 0.15 0.00 -1.03 0.00 0.00 39.34 39.17 2wdm n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2wdm n ARG 155 N -0.17 0.00 0.00 -0.72 1.74 -0.99 -5.05 116.66 111.48 2wdm n ARG 155 Ca 0.00 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2wdm n ARG 155 Cb 0.42 -0.63 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 2wdm n ARG 155 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44