#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg h ARG 3 N 0.00 0.00 0.00 0.00 2.43 -2.06 -3.44 114.38 111.30 2wdg h ARG 3 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wdg h ARG 3 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2wdg h ARG 3 CO 0.00 0.58 0.00 0.54 -1.51 0.00 0.00 179.97 179.58 2wdg n ARG 4 N -3.32 0.00 -2.41 0.20 1.74 -1.26 -5.02 116.66 106.59 2wdg n ARG 4 Ca 0.01 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.74 2wdg n ARG 4 Cb 0.73 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.15 2wdg n ARG 4 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wdg s ARG 5 N 1.20 3.76 0.00 5.56 3.00 -1.26 -4.87 118.95 126.34 2wdg s ARG 5 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 55.73 57.27 2wdg s ARG 5 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 34.95 32.72 2wdg s ARG 5 CO 0.00 -0.50 0.19 -2.13 0.00 0.00 0.00 175.30 172.86 2wdg n ARG 6 N -0.76 0.20 -0.35 3.54 0.63 -1.26 -4.88 116.66 113.78 2wdg n ARG 6 Ca 0.09 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 57.06 2wdg n ARG 6 Cb 0.51 -1.38 -0.01 0.00 0.45 0.00 0.00 32.46 32.02 2wdg n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdg n ALA 7 N 0.87 -1.20 -3.66 5.13 0.00 -1.26 -4.91 120.51 115.48 2wdg n ALA 7 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 2wdg n ALA 7 Cb 0.10 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 2wdg n ALA 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wdg s GLU 8 N -0.68 0.42 -0.48 0.00 2.02 -1.26 -5.11 118.70 113.61 2wdg s GLU 8 Ca 0.00 0.80 -0.28 0.00 0.02 0.00 0.00 54.97 55.52 2wdg s GLU 8 Cb 0.00 0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.23 2wdg s GLU 8 CO 0.00 -0.15 1.76 0.08 0.02 0.00 0.00 175.26 176.97 2wdg s VAL 9 N 1.31 3.49 0.45 2.63 1.01 -1.26 -4.93 120.40 123.10 2wdg s VAL 9 Ca -0.09 0.42 -0.21 0.00 0.00 0.00 0.00 61.98 62.11 2wdg s VAL 9 Cb -0.08 -3.89 -0.13 0.00 0.00 0.00 0.00 36.38 32.29 2wdg s VAL 9 CO -0.12 -0.72 0.35 -1.14 0.00 0.00 0.00 175.10 173.48 2wdg n ARG 10 N 8.73 0.36 -3.24 2.72 0.63 -1.26 -4.90 116.66 119.70 2wdg n ARG 10 Ca 0.20 0.13 -0.30 0.00 -0.92 0.00 0.00 57.85 56.96 2wdg n ARG 10 Cb 0.49 -1.36 -0.04 0.00 0.45 0.00 0.00 32.46 32.00 2wdg n ARG 10 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2wdg s GLN 11 N -1.46 3.75 -0.11 -0.14 2.00 -1.26 -5.09 119.66 117.35 2wdg s GLN 11 Ca 0.63 0.26 -0.01 0.00 -2.00 0.00 0.00 55.36 54.24 2wdg s GLN 11 Cb -0.57 -2.57 -0.02 0.00 0.80 0.00 0.00 33.01 30.65 2wdg s GLN 11 CO 0.59 0.19 -0.09 -0.51 -0.50 0.00 0.00 175.29 174.97 2wdg s LEU 12 N -3.32 2.98 -0.28 3.68 1.43 -1.26 -5.10 118.68 116.80 2wdg s LEU 12 Ca 0.48 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 53.20 2wdg s LEU 12 Cb -0.11 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 2wdg s LEU 12 CO 0.26 0.23 0.57 -1.58 0.23 0.00 0.00 176.35 176.07 2wdg s GLN 13 N -0.04 3.98 0.60 1.70 0.74 -1.26 -4.96 119.66 120.42 2wdg s GLN 13 Ca -0.01 0.31 -0.11 0.00 0.05 0.00 0.00 55.36 55.60 2wdg s GLN 13 Cb -0.14 -3.69 -0.09 0.00 1.10 0.00 0.00 33.01 30.19 2wdg s GLN 13 CO 0.03 -0.46 -0.48 -2.30 -0.55 0.00 0.00 175.29 171.54 2wdg n PRO 14 N 5.70 0.00 -0.89 1.67 -0.02 -1.26 -4.84 135.00 135.35 2wdg n PRO 14 Ca -0.03 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.17 2wdg n PRO 14 Cb 0.49 -0.62 0.21 0.00 -0.02 0.00 0.00 33.50 33.56 2wdg n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wdg s ASP 15 N -0.62 1.87 -0.00 2.55 3.68 -0.61 -4.78 116.67 118.76 2wdg s ASP 15 Ca 0.26 1.34 0.09 0.00 2.13 0.00 0.00 52.55 56.36 2wdg s ASP 15 Cb -0.12 -2.05 -0.11 0.00 -1.45 0.00 0.00 42.92 39.19 2wdg s ASP 15 CO 0.51 -3.62 0.34 0.18 0.13 0.00 0.00 175.17 172.71 2wdg n LEU 16 N -4.51 0.33 -0.07 -1.34 4.77 -1.26 -3.46 117.00 111.45 2wdg n LEU 16 Ca 0.04 -0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 55.49 2wdg n LEU 16 Cb 0.56 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 2wdg n LEU 16 CO 0.57 0.08 -0.85 0.52 -1.33 0.00 0.00 177.39 176.38 2wdg n VAL 17 N -1.34 1.20 1.01 4.08 0.31 -1.26 -4.68 118.33 117.65 2wdg n VAL 17 Ca 0.01 -0.05 0.11 0.00 -0.01 0.00 0.00 64.34 64.39 2wdg n VAL 17 Cb 0.16 -1.90 0.01 0.00 -0.91 0.00 0.00 33.84 31.19 2wdg n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2wdg n TYR 18 N -3.97 0.00 -3.72 3.52 4.02 -1.26 -4.97 117.16 110.78 2wdg n TYR 18 Ca -0.25 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.40 2wdg n TYR 18 Cb 0.59 -0.06 0.04 0.00 -0.02 0.00 0.00 39.34 39.89 2wdg n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdg n GLY 19 N 1.48 -0.40 3.27 2.72 0.00 -1.22 -4.89 105.19 106.14 2wdg n GLY 19 Ca 0.06 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 2wdg n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wdg s ASP 20 N -3.87 3.30 0.05 1.61 -1.08 -1.26 -4.48 116.67 110.94 2wdg s ASP 20 Ca 0.31 -0.49 -0.20 0.00 -0.52 0.00 0.00 52.55 51.64 2wdg s ASP 20 Cb -0.15 -1.35 -0.13 0.00 -1.46 0.00 0.00 42.92 39.83 2wdg s ASP 20 CO 0.80 0.18 1.39 -0.37 0.52 0.00 0.00 175.17 177.68 2wdg h VAL 21 N 5.51 1.32 -0.06 1.11 -1.51 -1.90 -1.58 116.25 119.14 2wdg h VAL 21 Ca -0.23 -1.20 0.02 0.00 -1.23 0.00 0.00 66.70 64.05 2wdg h VAL 21 Cb 1.22 1.76 -0.00 0.00 -2.13 0.00 0.00 31.29 32.14 2wdg h VAL 21 CO 0.49 0.36 0.05 0.25 -1.23 0.00 0.00 177.57 177.48 2wdg h LEU 22 N 0.03 0.00 -0.38 4.19 5.85 -1.97 -2.61 115.31 120.42 2wdg h LEU 22 Ca 0.03 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 2wdg h LEU 22 Cb 0.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2wdg h LEU 22 CO 0.03 0.00 -0.16 0.58 -0.34 0.00 0.00 178.44 178.55 2wdg h VAL 23 N 0.00 1.28 -0.27 1.05 2.07 -1.95 -2.45 116.25 115.99 2wdg h VAL 23 Ca 0.03 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.16 2wdg h VAL 23 Cb 0.12 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2wdg h VAL 23 CO -0.00 0.43 -0.30 0.71 0.02 0.00 0.00 177.57 178.43 2wdg h THR 24 N 0.58 1.28 -0.91 2.57 1.35 -1.45 -2.15 112.91 114.18 2wdg h THR 24 Ca 0.09 -1.38 0.03 0.00 -0.55 0.00 0.00 66.41 64.60 2wdg h THR 24 Cb 0.71 1.39 -0.05 0.00 -1.73 0.00 0.00 68.15 68.47 2wdg h THR 24 CO 0.05 0.44 0.60 0.00 -0.25 0.00 0.00 175.52 176.36 2wdg h ALA 25 N 1.20 1.41 0.00 6.62 0.00 -1.31 0.32 119.26 127.50 2wdg h ALA 25 Ca 0.06 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2wdg h ALA 25 Cb 0.76 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2wdg h ALA 25 CO 0.06 0.51 -0.68 0.35 0.00 0.00 0.00 179.25 179.50 2wdg h PHE 26 N 1.16 0.00 -0.15 0.00 3.57 -1.19 -3.11 116.94 117.23 2wdg h PHE 26 Ca 0.36 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.77 2wdg h PHE 26 Cb -0.02 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 2wdg h PHE 26 CO -0.00 0.68 -0.23 0.82 -2.23 0.00 0.00 178.31 177.34 2wdg h ILE 27 N 0.00 1.36 -0.97 1.41 2.04 -0.53 -3.09 117.51 117.72 2wdg h ILE 27 Ca -0.01 -1.47 0.18 0.00 1.00 0.00 0.00 64.86 64.56 2wdg h ILE 27 Cb 1.30 1.96 -0.09 0.00 -0.74 0.00 0.00 36.82 39.25 2wdg h ILE 27 CO 0.09 0.44 0.61 0.78 0.00 0.00 0.00 178.15 180.06 2wdg h ASN 28 N 0.03 0.71 0.00 1.72 2.35 -0.40 0.60 115.58 120.59 2wdg h ASN 28 Ca 0.01 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2wdg h ASN 28 Cb 0.81 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2wdg h ASN 28 CO 0.05 0.29 0.00 0.29 -1.65 0.00 0.00 177.43 176.41 2wdg n LYS 29 N -4.66 0.70 -0.08 0.81 4.76 -1.17 -2.60 118.16 115.92 2wdg n LYS 29 Ca 0.21 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.56 2wdg n LYS 29 Cb 0.56 -1.43 -0.10 0.00 -1.84 0.00 0.00 35.03 32.22 2wdg n LYS 29 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2wdg n ILE 30 N -0.93 1.00 -1.48 -0.18 2.08 0.20 -4.96 119.36 115.10 2wdg n ILE 30 Ca 0.15 -0.50 -0.44 0.00 0.56 0.00 0.00 62.75 62.52 2wdg n ILE 30 Cb 0.07 -0.87 -0.09 0.00 -0.75 0.00 0.00 39.64 37.99 2wdg n ILE 30 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 2wdg n MET 31 N -2.77 0.56 -3.31 0.38 1.56 -0.77 -4.88 117.12 107.89 2wdg n MET 31 Ca -0.27 0.07 -0.42 0.00 -0.27 0.00 0.00 57.70 56.82 2wdg n MET 31 Cb 0.90 -2.28 -0.02 0.00 2.15 0.00 0.00 33.22 33.98 2wdg n MET 31 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 2wdg n ARG 32 N 8.47 3.56 0.00 2.12 0.63 -1.26 -4.39 116.66 125.79 2wdg n ARG 32 Ca 0.51 -4.50 0.00 0.00 -0.92 0.00 0.00 57.85 52.93 2wdg n ARG 32 Cb 0.22 -2.49 0.00 0.00 0.45 0.00 0.00 32.46 30.63 2wdg n ARG 32 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wdg n ASP 33 N 2.11 0.00 -0.45 6.15 8.00 -1.26 -4.60 116.55 126.49 2wdg n ASP 33 Ca 0.24 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.69 2wdg n ASP 33 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 2wdg n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdg n GLY 34 N -0.38 0.82 2.74 0.44 0.00 -1.26 -4.93 105.19 102.63 2wdg n GLY 34 Ca 0.00 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 2wdg n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdg n LYS 35 N -2.50 4.50 -0.31 1.61 5.02 -1.26 -4.77 118.16 120.45 2wdg n LYS 35 Ca -0.06 -4.01 0.01 0.00 -2.02 0.00 0.00 58.31 52.24 2wdg n LYS 35 Cb 0.24 -2.64 0.20 0.00 -0.02 0.00 0.00 35.03 32.80 2wdg n LYS 35 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wdg h LYS 36 N 5.02 1.11 0.00 1.97 3.64 -1.95 -1.11 116.57 125.25 2wdg h LYS 36 Ca 0.46 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2wdg h LYS 36 Cb 0.47 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2wdg h LYS 36 CO 1.42 0.73 0.00 -1.71 -2.27 0.00 0.00 179.45 177.62 2wdg n ASN 37 N -4.44 0.00 -0.06 4.20 5.15 -1.26 -0.56 115.26 118.29 2wdg n ASN 37 Ca 0.12 -0.25 -0.05 0.00 -0.60 0.00 0.00 54.58 53.80 2wdg n ASN 37 Cb 0.10 -0.09 -0.10 0.00 -0.53 0.00 0.00 39.78 39.16 2wdg n ASN 37 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2wdg n LEU 38 N -1.09 0.00 0.09 1.20 7.94 -0.45 -4.22 117.00 120.47 2wdg n LEU 38 Ca 0.09 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.80 2wdg n LEU 38 Cb 0.06 0.28 -0.11 0.00 0.53 0.00 0.00 43.42 44.18 2wdg n LEU 38 CO 0.08 0.28 -0.00 0.00 -1.11 0.00 0.00 177.39 176.64 2wdg h ALA 39 N 0.71 0.11 -0.91 1.96 0.00 -0.91 -3.08 119.26 117.14 2wdg h ALA 39 Ca -0.31 -0.78 0.11 0.00 0.00 0.00 0.00 54.91 53.94 2wdg h ALA 39 Cb 1.65 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 2wdg h ALA 39 CO 0.02 0.78 0.54 0.00 0.00 0.00 0.00 179.25 180.58 2wdg h ALA 40 N 0.46 1.35 -1.66 0.00 0.00 -1.05 -2.26 119.26 116.10 2wdg h ALA 40 Ca -0.15 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wdg h ALA 40 Cb 1.84 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2wdg h ALA 40 CO 0.21 0.13 0.00 0.54 0.00 0.00 0.00 179.25 180.13 2wdg n ARG 41 N -4.70 0.00 -0.21 0.00 1.74 -1.19 -2.43 116.66 109.87 2wdg n ARG 41 Ca 0.17 0.23 0.16 0.00 -0.77 0.00 0.00 57.85 57.64 2wdg n ARG 41 Cb 0.34 -1.22 0.31 0.00 -1.02 0.00 0.00 32.46 30.86 2wdg n ARG 41 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wdg n ILE 42 N -1.18 -0.27 0.30 0.55 5.41 -1.15 0.30 119.36 123.32 2wdg n ILE 42 Ca 0.00 1.34 -0.12 0.00 1.00 0.00 0.00 62.75 64.97 2wdg n ILE 42 Cb 0.00 -2.09 -0.06 0.00 -0.71 0.00 0.00 39.64 36.78 2wdg n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 2wdg h PHE 43 N 0.00 -0.71 -0.08 1.39 3.04 -1.36 -1.50 116.94 117.71 2wdg h PHE 43 Ca 0.49 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.40 2wdg h PHE 43 Cb 1.20 0.23 -0.00 0.00 2.56 0.00 0.00 35.95 39.94 2wdg h PHE 43 CO -0.13 -0.44 -0.03 1.88 -2.02 0.00 0.00 178.31 177.57 2wdg h TYR 44 N -0.80 0.19 -0.69 0.41 0.99 -0.22 -2.11 116.97 114.74 2wdg h TYR 44 Ca -0.08 -0.04 0.20 0.00 2.00 0.00 0.00 58.73 60.81 2wdg h TYR 44 Cb 0.58 -0.04 -0.03 0.00 1.00 0.00 0.00 36.73 38.24 2wdg h TYR 44 CO 0.09 0.51 0.96 0.22 -0.00 0.00 0.00 178.16 179.93 2wdg h ASP 45 N -0.19 0.00 0.21 3.88 -0.00 0.45 1.56 116.42 122.32 2wdg h ASP 45 Ca 0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.03 56.70 2wdg h ASP 45 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.74 2wdg h ASP 45 CO 0.01 0.00 -2.04 0.00 -0.00 0.00 0.00 179.24 177.21 2wdg n ALA 46 N -2.14 1.27 0.22 -0.78 0.00 -0.57 -4.01 120.51 114.51 2wdg n ALA 46 Ca 0.15 -0.85 0.18 0.00 0.00 0.00 0.00 53.44 52.92 2wdg n ALA 46 Cb 1.18 -0.57 0.84 0.00 0.00 0.00 0.00 19.45 20.90 2wdg n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdg n LYS 48 N -3.48 0.69 0.00 0.00 5.02 -0.91 0.34 118.16 119.82 2wdg n LYS 48 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2wdg n LYS 48 Cb 0.39 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 2wdg n LYS 48 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2wdg n ILE 49 N -0.26 0.00 0.05 -0.18 2.08 0.39 -3.84 119.36 117.59 2wdg n ILE 49 Ca 0.00 -0.20 -0.17 0.00 0.56 0.00 0.00 62.75 62.94 2wdg n ILE 49 Cb 0.06 0.70 -0.14 0.00 -0.75 0.00 0.00 39.64 39.52 2wdg n ILE 49 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2wdg h ILE 50 N 0.00 1.04 0.00 1.39 1.08 0.00 -2.63 117.51 118.40 2wdg h ILE 50 Ca 0.00 -2.71 -0.00 0.00 -0.39 0.00 0.00 64.86 61.76 2wdg h ILE 50 Cb 0.00 2.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 2wdg h ILE 50 CO 0.00 0.80 -0.00 1.56 -0.69 0.00 0.00 178.15 179.82 2wdg h GLN 51 N 0.06 -0.00 0.00 2.37 1.08 -1.32 -3.33 115.11 113.98 2wdg h GLN 51 Ca -0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 2wdg h GLN 51 Cb 2.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.45 2wdg h GLN 51 CO 0.15 0.89 0.00 -1.91 -0.95 0.00 0.00 178.83 177.01 2wdg n GLU 52 N -4.64 0.00 0.00 1.46 0.00 -1.25 -3.42 120.64 112.79 2wdg n GLU 52 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.07 2wdg n GLU 52 Cb 0.43 -0.56 0.00 0.00 0.00 0.00 0.00 31.44 31.31 2wdg n GLU 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wdg n LYS 53 N -0.07 0.00 0.00 5.31 5.02 -0.99 -4.47 118.16 122.97 2wdg n LYS 53 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wdg n LYS 53 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2wdg n LYS 53 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2wdg n THR 54 N 0.80 0.00 0.16 -0.18 5.66 -1.22 -4.95 114.28 114.55 2wdg n THR 54 Ca 0.00 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.10 2wdg n THR 54 Cb 0.00 0.00 0.54 0.00 -1.55 0.00 0.00 70.33 69.32 2wdg n THR 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wdg n GLY 55 N -0.36 -0.82 3.25 1.09 0.00 -1.26 -3.80 105.19 103.29 2wdg n GLY 55 Ca 0.00 0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2wdg n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wdg n GLN 56 N -2.21 0.05 -3.67 1.61 1.13 -1.25 -4.92 117.38 108.12 2wdg n GLN 56 Ca -0.01 0.04 -0.39 0.00 -1.94 0.00 0.00 57.00 54.69 2wdg n GLN 56 Cb 0.07 -1.36 -0.11 0.00 0.11 0.00 0.00 30.24 28.95 2wdg n GLN 56 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2wdg s GLU 57 N -2.22 2.52 0.00 -1.09 -1.05 -1.26 -4.12 118.70 111.48 2wdg s GLU 57 Ca 0.54 -1.43 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 2wdg s GLU 57 Cb -0.31 -3.66 0.00 0.00 -0.44 0.00 0.00 34.13 29.72 2wdg s GLU 57 CO 0.70 -0.89 0.00 -2.30 0.95 0.00 0.00 175.26 173.72 2wdg n PRO 58 N 4.84 0.00 -0.28 -4.83 -0.02 -1.26 -1.51 135.00 131.94 2wdg n PRO 58 Ca -0.10 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.32 2wdg n PRO 58 Cb 0.43 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.90 2wdg n PRO 58 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wdg h LEU 59 N 0.00 -1.50 -1.25 2.45 6.46 -1.99 -0.67 115.31 118.81 2wdg h LEU 59 Ca 0.00 0.27 0.11 0.00 -0.12 0.00 0.00 57.88 58.14 2wdg h LEU 59 Cb 0.00 0.71 -0.06 0.00 -0.73 0.00 0.00 40.66 40.58 2wdg h LEU 59 CO 0.00 -0.31 0.56 0.50 -0.62 0.00 0.00 178.44 178.58 2wdg h LYS 60 N -0.13 0.77 -0.83 1.25 1.63 -1.71 0.14 116.57 117.70 2wdg h LYS 60 Ca 0.23 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.97 2wdg h LYS 60 Cb 0.55 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 2wdg h LYS 60 CO -0.80 0.51 0.45 0.28 -3.45 0.00 0.00 179.45 176.45 2wdg h VAL 61 N 0.79 1.24 0.37 2.00 2.07 -1.16 -1.28 116.25 120.28 2wdg h VAL 61 Ca 0.42 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2wdg h VAL 61 Cb 0.52 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2wdg h VAL 61 CO -0.18 0.27 -0.18 0.15 0.02 0.00 0.00 177.57 177.65 2wdg h PHE 62 N 1.15 -0.46 -0.54 1.57 3.57 -0.56 -2.00 116.94 119.67 2wdg h PHE 62 Ca 0.29 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.94 2wdg h PHE 62 Cb 0.02 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2wdg h PHE 62 CO 0.01 -0.28 0.50 -0.22 -2.23 0.00 0.00 178.31 176.09 2wdg h LYS 63 N -0.67 0.00 0.00 1.11 1.63 -1.27 0.26 116.57 117.62 2wdg h LYS 63 Ca -0.05 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.54 2wdg h LYS 63 Cb 0.38 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 2wdg h LYS 63 CO 0.08 0.00 -0.98 0.37 -3.45 0.00 0.00 179.45 175.47 2wdg h GLN 64 N 0.00 0.00 0.00 1.90 5.75 -1.20 -3.29 115.11 118.27 2wdg h GLN 64 Ca 0.26 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.73 2wdg h GLN 64 Cb 1.26 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.81 2wdg h GLN 64 CO -0.00 0.98 -0.12 0.00 -2.65 0.00 0.00 178.83 177.03 2wdg h ALA 65 N 1.02 0.95 0.03 3.38 0.00 0.29 -3.09 119.26 121.84 2wdg h ALA 65 Ca -0.01 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 2wdg h ALA 65 Cb 1.74 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.52 2wdg h ALA 65 CO 0.13 0.16 -1.04 0.28 0.00 0.00 0.00 179.25 178.77 2wdg h VAL 66 N 0.00 1.38 -0.11 0.00 2.07 -1.55 -3.04 116.25 114.99 2wdg h VAL 66 Ca -0.00 -2.49 -0.09 0.00 0.82 0.00 0.00 66.70 64.94 2wdg h VAL 66 Cb 0.88 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 2wdg h VAL 66 CO 0.02 0.75 -0.34 -0.08 0.02 0.00 0.00 177.57 177.94 2wdg h GLU 67 N 0.24 0.22 0.00 1.57 4.57 -1.64 0.16 114.58 119.71 2wdg h GLU 67 Ca -0.11 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2wdg h GLU 67 Cb 1.70 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.27 2wdg h GLU 67 CO 0.19 0.54 0.00 0.09 -1.18 0.00 0.00 179.01 178.64 2wdg n ASN 68 N -4.09 0.00 -0.01 1.04 3.02 -1.17 -3.68 115.26 110.38 2wdg n ASN 68 Ca -0.01 0.28 -0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2wdg n ASN 68 Cb 0.42 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 2wdg n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wdg n VAL 69 N -1.40 0.07 -1.47 2.41 0.31 -0.65 -4.71 118.33 112.89 2wdg n VAL 69 Ca 0.07 -0.05 -0.51 0.00 -0.01 0.00 0.00 64.34 63.85 2wdg n VAL 69 Cb 0.19 -0.80 -0.07 0.00 -0.91 0.00 0.00 33.84 32.26 2wdg n VAL 69 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wdg n LYS 70 N -1.98 1.15 -2.28 5.55 5.02 0.47 -4.69 118.16 121.40 2wdg n LYS 70 Ca -0.02 0.32 -0.43 0.00 -2.02 0.00 0.00 58.31 56.17 2wdg n LYS 70 Cb 0.48 -2.48 -0.02 0.00 -0.02 0.00 0.00 35.03 32.98 2wdg n LYS 70 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2wdg s PRO 71 N 6.04 3.93 0.26 1.97 0.04 -1.26 -4.92 135.00 141.07 2wdg s PRO 71 Ca 1.08 1.52 -0.01 0.00 0.04 0.00 0.00 61.00 63.64 2wdg s PRO 71 Cb -0.84 -3.93 0.52 0.00 0.04 0.00 0.00 34.50 30.29 2wdg s PRO 71 CO 0.49 -1.11 1.79 -0.09 0.04 0.00 0.00 177.00 178.12 2wdg h ARG 72 N 9.70 0.71 -2.03 4.56 9.65 -1.89 -3.43 114.38 131.65 2wdg h ARG 72 Ca -0.30 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.49 2wdg h ARG 72 Cb 1.12 -0.16 -0.21 0.00 -1.39 0.00 0.00 29.97 29.34 2wdg h ARG 72 CO 1.01 0.47 0.13 -1.64 2.80 0.00 0.00 179.97 182.74 2wdg s MET 73 N -5.97 0.87 0.45 0.20 -1.94 -1.26 -3.23 119.30 108.41 2wdg s MET 73 Ca -0.12 0.83 0.03 0.00 -1.71 0.00 0.00 55.69 54.72 2wdg s MET 73 Cb 0.21 0.42 -0.03 0.00 2.01 0.00 0.00 34.83 37.45 2wdg s MET 73 CO 0.79 -0.15 0.05 -1.83 -0.01 0.00 0.00 175.02 173.87 2wdg s GLU 74 N 0.04 2.02 -0.35 2.03 -1.05 -1.08 -4.29 118.70 116.03 2wdg s GLU 74 Ca -0.02 -2.24 -0.02 0.00 -0.15 0.00 0.00 54.97 52.53 2wdg s GLU 74 Cb -0.04 -1.18 0.08 0.00 -0.44 0.00 0.00 34.13 32.54 2wdg s GLU 74 CO 0.03 -0.34 0.09 0.14 0.95 0.00 0.00 175.26 176.13 2wdg s VAL 75 N -3.00 3.10 -0.28 1.83 -7.23 -1.26 -1.37 120.40 112.19 2wdg s VAL 75 Ca 0.19 -1.70 -0.21 0.00 -1.81 0.00 0.00 61.98 58.44 2wdg s VAL 75 Cb 0.04 -2.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 2wdg s VAL 75 CO 0.10 -0.37 0.67 -0.13 -0.31 0.00 0.00 175.10 175.05 2wdg s ARG 76 N 1.19 4.02 0.57 4.82 0.52 0.53 -4.81 118.95 125.79 2wdg s ARG 76 Ca 0.01 0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 55.65 2wdg s ARG 76 Cb -0.21 -3.69 0.11 0.00 0.52 0.00 0.00 34.95 31.68 2wdg s ARG 76 CO -0.03 -0.52 0.25 0.45 0.02 0.00 0.00 175.30 175.48 2wdg n SER 77 N 5.87 -2.20 -3.64 0.23 2.88 -1.26 -3.33 113.62 112.16 2wdg n SER 77 Ca 0.00 -0.25 -0.02 0.00 -1.33 0.00 0.00 58.87 57.27 2wdg n SER 77 Cb 0.49 -0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 2wdg n SER 77 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2wdg s ARG 78 N -2.66 0.05 -0.20 -1.46 6.06 -0.78 -4.62 118.95 115.34 2wdg s ARG 78 Ca 0.19 -0.01 -0.03 0.00 -2.50 0.00 0.00 55.73 53.39 2wdg s ARG 78 Cb -0.03 0.02 -0.01 0.00 0.06 0.00 0.00 34.95 34.99 2wdg s ARG 78 CO 0.16 -0.02 -0.06 0.50 -2.50 0.00 0.00 175.30 173.38 2wdg s ARG 79 N -1.59 3.39 -0.02 5.12 3.00 -1.26 -2.59 118.95 125.00 2wdg s ARG 79 Ca 0.10 -0.63 0.06 0.00 -1.00 0.00 0.00 55.73 54.26 2wdg s ARG 79 Cb -0.01 -2.93 -0.08 0.00 0.00 0.00 0.00 34.95 31.93 2wdg s ARG 79 CO -0.05 -0.10 0.09 0.28 0.00 0.00 0.00 175.30 175.52 2wdg n VAL 80 N 4.50 0.13 0.00 7.11 0.31 -1.10 -5.03 118.33 124.25 2wdg n VAL 80 Ca -0.18 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2wdg n VAL 80 Cb 0.51 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 2wdg n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wdg n GLY 81 N 2.34 0.70 0.00 2.92 0.00 -1.26 -4.91 105.19 104.98 2wdg n GLY 81 Ca -0.04 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2wdg n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdg n GLY 82 N 0.58 1.62 3.64 -0.02 0.00 -1.26 -5.04 105.19 104.72 2wdg n GLY 82 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2wdg n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdg s ALA 83 N -2.08 -2.13 -0.80 4.61 0.00 -1.26 -5.08 121.76 115.01 2wdg s ALA 83 Ca 0.00 1.89 0.02 0.00 0.00 0.00 0.00 51.96 53.87 2wdg s ALA 83 Cb 0.00 -1.28 0.29 0.00 0.00 0.00 0.00 23.12 22.13 2wdg s ALA 83 CO 0.00 -0.30 1.12 0.09 0.00 0.00 0.00 175.76 176.67 2wdg n ASN 84 N 0.41 5.08 -3.78 0.00 3.02 -1.26 -2.72 115.26 116.01 2wdg n ASN 84 Ca 0.01 -3.51 -0.42 0.00 -0.03 0.00 0.00 54.58 50.63 2wdg n ASN 84 Cb 0.58 -0.88 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 2wdg n ASN 84 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2wdg n TYR 85 N 0.68 -0.34 -2.63 3.10 0.53 -1.07 -4.28 117.16 113.16 2wdg n TYR 85 Ca 0.31 0.84 -0.43 0.00 -1.02 0.00 0.00 57.90 57.60 2wdg n TYR 85 Cb 0.37 -1.69 0.00 0.00 -1.03 0.00 0.00 39.34 36.99 2wdg n TYR 85 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 2wdg n GLN 86 N 0.89 3.68 -1.86 -0.72 6.02 -1.26 -1.87 117.38 122.26 2wdg n GLN 86 Ca 0.16 -3.79 -0.39 0.00 -0.01 0.00 0.00 57.00 52.96 2wdg n GLN 86 Cb 0.20 -2.88 0.02 0.00 1.02 0.00 0.00 30.24 28.60 2wdg n GLN 86 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wdg s VAL 87 N 0.13 2.21 0.33 5.09 1.01 -1.21 -4.80 120.40 123.16 2wdg s VAL 87 Ca 0.39 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.62 2wdg s VAL 87 Cb 0.05 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 2wdg s VAL 87 CO 0.01 0.02 0.32 -2.16 0.00 0.00 0.00 175.10 173.29 2wdg s PRO 88 N -2.48 2.79 0.00 2.72 0.04 -1.26 -0.35 135.00 136.46 2wdg s PRO 88 Ca 0.62 -1.25 0.00 0.00 0.04 0.00 0.00 61.00 60.41 2wdg s PRO 88 Cb -0.42 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.59 2wdg s PRO 88 CO 0.53 0.10 0.00 0.00 0.04 0.00 0.00 177.00 177.67 2wdg n MET 89 N -1.41 0.00 -1.70 4.56 0.00 -0.47 -4.69 117.12 113.40 2wdg n MET 89 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.30 2wdg n MET 89 Cb 0.59 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.87 2wdg n MET 89 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2wdg n GLU 90 N -0.05 1.28 -3.76 3.17 1.02 -1.26 -2.62 120.64 118.41 2wdg n GLU 90 Ca 0.00 0.49 -0.36 0.00 -0.02 0.00 0.00 57.16 57.26 2wdg n GLU 90 Cb 0.00 -2.45 -0.11 0.00 -0.02 0.00 0.00 31.44 28.86 2wdg n GLU 90 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wdg s VAL 91 N -1.37 4.89 0.43 2.62 1.01 -1.20 -4.76 120.40 122.01 2wdg s VAL 91 Ca 0.77 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 62.51 2wdg s VAL 91 Cb -0.41 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 2wdg s VAL 91 CO 0.45 0.35 1.38 -0.55 0.00 0.00 0.00 175.10 176.73 2wdg s SER 92 N 1.24 6.06 0.16 3.32 0.15 -1.26 -4.69 113.70 118.67 2wdg s SER 92 Ca 0.06 2.82 -0.17 0.00 0.70 0.00 0.00 55.95 59.36 2wdg s SER 92 Cb -0.14 -2.65 0.07 0.00 -1.71 0.00 0.00 66.02 61.59 2wdg s SER 92 CO 0.05 -1.04 1.69 1.55 1.20 0.00 0.00 173.24 176.69 2wdg h PRO 93 N 2.48 0.05 0.02 5.44 0.13 -1.98 1.86 132.00 140.01 2wdg h PRO 93 Ca -0.50 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.65 2wdg h PRO 93 Cb 1.26 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2wdg h PRO 93 CO 0.62 0.04 -0.38 0.00 -0.23 0.00 0.00 178.00 178.04 2wdg h ARG 94 N 0.05 -0.53 0.82 0.86 3.08 -1.99 0.78 114.38 117.45 2wdg h ARG 94 Ca 0.17 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 2wdg h ARG 94 Cb 0.24 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2wdg h ARG 94 CO -0.31 -0.36 -0.43 -0.09 -1.07 0.00 0.00 179.97 177.71 2wdg h ARG 95 N -0.55 -1.11 -0.92 0.04 2.43 -1.75 -1.83 114.38 110.69 2wdg h ARG 95 Ca 0.05 0.08 0.14 0.00 -0.81 0.00 0.00 59.98 59.44 2wdg h ARG 95 Cb 0.63 0.25 -0.15 0.00 -0.42 0.00 0.00 29.97 30.28 2wdg h ARG 95 CO -0.28 -0.74 -0.36 0.94 -1.51 0.00 0.00 179.97 178.02 2wdg n GLN 96 N -5.21 -0.21 -0.20 0.20 7.27 0.62 0.49 117.38 120.34 2wdg n GLN 96 Ca -0.14 1.42 -0.08 0.00 0.07 0.00 0.00 57.00 58.27 2wdg n GLN 96 Cb 0.46 -2.10 0.02 0.00 2.41 0.00 0.00 30.24 31.03 2wdg n GLN 96 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 2wdg h GLN 97 N 0.00 0.84 0.25 3.69 4.15 -0.80 -0.29 115.11 122.95 2wdg h GLN 97 Ca 0.32 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 2wdg h GLN 97 Cb 0.55 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2wdg h GLN 97 CO -0.91 0.72 -0.17 0.77 -1.93 0.00 0.00 178.83 177.31 2wdg h SER 98 N 0.77 -0.43 -0.32 -0.69 0.02 0.93 0.10 113.55 113.94 2wdg h SER 98 Ca 0.19 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.22 2wdg h SER 98 Cb 0.19 0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 2wdg h SER 98 CO -0.02 -0.27 0.03 -0.07 -1.14 0.00 0.00 176.83 175.36 2wdg h LEU 99 N -0.42 -0.06 0.00 5.07 3.38 -0.36 -1.10 115.31 121.82 2wdg h LEU 99 Ca -0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wdg h LEU 99 Cb 0.36 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2wdg h LEU 99 CO 0.01 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.55 2wdg n ALA 100 N -2.42 -0.08 -0.28 1.53 0.00 -0.13 -0.36 120.51 118.77 2wdg n ALA 100 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2wdg n ALA 100 Cb 0.15 0.32 0.04 0.00 0.00 0.00 0.00 19.45 19.96 2wdg n ALA 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wdg h LEU 101 N 0.00 -1.17 0.45 0.00 3.38 -0.64 -2.11 115.31 115.22 2wdg h LEU 101 Ca 0.00 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2wdg h LEU 101 Cb 0.00 0.63 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2wdg h LEU 101 CO 0.00 -0.29 -0.48 -0.09 0.09 0.00 0.00 178.44 177.67 2wdg h ARG 102 N -0.07 -0.91 -0.63 1.13 2.43 -0.80 -2.86 114.38 112.67 2wdg h ARG 102 Ca 0.31 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.65 2wdg h ARG 102 Cb 0.58 0.21 -0.12 0.00 -0.42 0.00 0.00 29.97 30.22 2wdg h ARG 102 CO -0.83 -0.61 -0.38 -1.49 -1.51 0.00 0.00 179.97 175.16 2wdg h TRP 103 N -0.95 -1.07 -0.62 2.20 6.55 -0.13 -1.93 115.95 120.01 2wdg h TRP 103 Ca -0.05 0.08 0.06 0.00 0.95 0.00 0.00 58.89 59.93 2wdg h TRP 103 Cb 0.84 0.56 -0.08 0.00 -0.86 0.00 0.00 29.16 29.61 2wdg h TRP 103 CO -0.26 -0.40 -0.46 -0.07 -1.05 0.00 0.00 178.44 176.20 2wdg h LEU 104 N -0.17 -1.65 -0.22 -4.49 -0.00 -1.19 0.25 115.31 107.85 2wdg h LEU 104 Ca 0.23 0.24 0.05 0.00 -0.00 0.00 0.00 57.88 58.40 2wdg h LEU 104 Cb 0.56 0.71 -0.07 0.00 -0.00 0.00 0.00 40.66 41.85 2wdg h LEU 104 CO -0.72 -0.24 -0.37 0.58 -0.00 0.00 0.00 178.44 177.69 2wdg h VAL 105 N -0.13 0.20 -0.03 1.22 2.07 -1.16 -0.80 116.25 117.62 2wdg h VAL 105 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 2wdg h VAL 105 Cb 0.39 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 2wdg h VAL 105 CO -0.65 0.00 -0.33 1.56 0.02 0.00 0.00 177.57 178.18 2wdg h GLN 106 N -0.40 -0.45 -0.83 1.57 4.20 -0.89 0.47 115.11 118.80 2wdg h GLN 106 Ca 0.11 0.03 0.15 0.00 0.06 0.00 0.00 58.65 59.00 2wdg h GLN 106 Cb 0.58 0.10 -0.15 0.00 0.30 0.00 0.00 27.48 28.31 2wdg h GLN 106 CO -0.44 -0.30 -0.30 0.00 -0.67 0.00 0.00 178.83 177.13 2wdg h ALA 107 N 0.27 0.29 0.58 3.87 0.00 0.17 0.18 119.26 124.63 2wdg h ALA 107 Ca 0.07 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2wdg h ALA 107 Cb 0.56 0.79 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2wdg h ALA 107 CO -0.29 -0.53 -0.34 0.00 0.00 0.00 0.00 179.25 178.09 2wdg h ALA 108 N 1.50 -0.87 0.00 0.00 0.00 -0.31 -1.05 119.26 118.53 2wdg h ALA 108 Ca 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wdg h ALA 108 Cb 0.60 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2wdg h ALA 108 CO -0.86 -1.00 0.28 -0.91 0.00 0.00 0.00 179.25 176.75 2wdg h ASN 109 N -0.86 0.00 -2.34 0.00 2.35 0.12 -0.75 115.58 114.10 2wdg h ASN 109 Ca -0.07 0.00 -0.78 0.00 -0.55 0.00 0.00 56.30 54.90 2wdg h ASN 109 Cb 0.69 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 38.77 2wdg h ASN 109 CO 0.09 0.00 0.79 0.00 -1.65 0.00 0.00 177.43 176.65 2wdg n GLN 110 N -2.39 5.03 -3.93 0.81 6.02 0.42 -4.94 117.38 118.41 2wdg n GLN 110 Ca -0.01 -4.68 -0.08 0.00 -0.01 0.00 0.00 57.00 52.21 2wdg n GLN 110 Cb 0.31 -2.44 -0.08 0.00 1.02 0.00 0.00 30.24 29.04 2wdg n GLN 110 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wdg s ARG 111 N -4.01 0.75 0.19 -1.09 0.52 -0.29 -4.92 118.95 110.11 2wdg s ARG 111 Ca 0.39 -1.01 0.26 0.00 -0.52 0.00 0.00 55.73 54.86 2wdg s ARG 111 Cb 0.18 0.30 0.87 0.00 0.52 0.00 0.00 34.95 36.82 2wdg s ARG 111 CO -0.10 -0.21 1.78 -0.35 0.02 0.00 0.00 175.30 176.44 2wdg n PRO 112 N 0.07 0.23 -1.66 3.54 -0.04 -1.26 -4.87 135.00 131.01 2wdg n PRO 112 Ca -0.15 0.22 -0.51 0.00 -0.04 0.00 0.00 63.50 63.02 2wdg n PRO 112 Cb 0.62 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 2wdg n PRO 112 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wdg n GLU 113 N -2.18 1.60 0.13 0.54 -0.58 -1.26 -4.85 120.64 114.03 2wdg n GLU 113 Ca 0.05 0.58 -0.02 0.00 -0.42 0.00 0.00 57.16 57.36 2wdg n GLU 113 Cb 0.39 -2.31 0.18 0.00 -0.57 0.00 0.00 31.44 29.14 2wdg n GLU 113 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdg h ARG 114 N 6.61 0.08 -4.15 3.49 2.47 -2.02 -3.41 114.38 117.45 2wdg h ARG 114 Ca -0.47 -0.05 -0.73 0.00 -1.26 0.00 0.00 59.98 57.47 2wdg h ARG 114 Cb 1.30 0.01 -0.30 0.00 -1.65 0.00 0.00 29.97 29.32 2wdg h ARG 114 CO 0.89 0.63 -0.35 1.03 0.56 0.00 0.00 179.97 182.73 2wdg s ARG 115 N -3.75 2.57 0.11 0.04 0.52 -1.26 -4.99 118.95 112.19 2wdg s ARG 115 Ca -0.02 -1.96 0.09 0.00 -0.52 0.00 0.00 55.73 53.31 2wdg s ARG 115 Cb 0.13 -3.93 0.37 0.00 0.52 0.00 0.00 34.95 32.04 2wdg s ARG 115 CO 0.77 -1.19 0.38 0.00 0.02 0.00 0.00 175.30 175.27 2wdg n ALA 116 N 4.58 0.35 -0.05 2.13 0.00 -1.26 -0.67 120.51 125.59 2wdg n ALA 116 Ca -0.03 0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 2wdg n ALA 116 Cb 0.41 -0.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.53 2wdg n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdg h ALA 117 N 0.37 0.20 -0.44 0.00 0.00 -1.94 -2.59 119.26 114.86 2wdg h ALA 117 Ca 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wdg h ALA 117 Cb 0.73 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2wdg h ALA 117 CO -0.10 0.01 0.25 -0.39 0.00 0.00 0.00 179.25 179.03 2wdg h VAL 118 N -0.05 1.13 0.43 0.00 -1.51 -1.23 -1.86 116.25 113.16 2wdg h VAL 118 Ca 0.03 -0.30 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 2wdg h VAL 118 Cb 0.57 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.26 2wdg h VAL 118 CO 0.02 0.14 -0.21 0.03 -1.23 0.00 0.00 177.57 176.33 2wdg h ARG 119 N 0.60 -0.55 -0.98 5.19 3.08 -1.56 0.24 114.38 120.40 2wdg h ARG 119 Ca 0.16 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.38 2wdg h ARG 119 Cb -0.01 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.08 2wdg h ARG 119 CO -0.03 -0.34 0.60 0.82 -1.07 0.00 0.00 179.97 179.95 2wdg h ILE 120 N -0.63 0.86 0.02 2.04 1.08 -1.05 0.23 117.51 120.06 2wdg h ILE 120 Ca -0.06 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2wdg h ILE 120 Cb 0.47 -0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 2wdg h ILE 120 CO 0.10 0.17 -0.01 0.00 -0.69 0.00 0.00 178.15 177.71 2wdg h ALA 121 N 1.56 -0.85 -1.14 1.87 0.00 -0.90 0.81 119.26 120.61 2wdg h ALA 121 Ca 0.50 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.75 2wdg h ALA 121 Cb 0.57 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 2wdg h ALA 121 CO -0.30 -0.85 0.73 0.45 0.00 0.00 0.00 179.25 179.29 2wdg h HIS 122 N -0.04 0.64 0.14 0.00 3.86 -0.82 0.87 115.15 119.79 2wdg h HIS 122 Ca -0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2wdg h HIS 122 Cb 0.03 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.32 2wdg h HIS 122 CO 0.19 -0.07 -0.07 1.49 0.86 0.00 0.00 177.93 180.33 2wdg h GLU 123 N 0.26 -0.18 -0.66 2.45 4.57 -0.90 -1.38 114.58 118.75 2wdg h GLU 123 Ca 0.70 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 59.06 2wdg h GLU 123 Cb 1.94 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.54 2wdg h GLU 123 CO -0.38 0.27 0.46 -0.07 -1.18 0.00 0.00 179.01 178.11 2wdg h LEU 124 N -0.73 0.11 0.00 1.64 3.38 0.12 0.14 115.31 119.98 2wdg h LEU 124 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wdg h LEU 124 Cb 0.52 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2wdg h LEU 124 CO 0.03 0.05 -0.00 0.24 0.09 0.00 0.00 178.44 178.85 2wdg h MET 125 N 0.11 -0.00 -0.97 1.13 2.86 -0.79 -1.53 114.93 115.74 2wdg h MET 125 Ca 0.32 0.00 0.29 0.00 -2.06 0.00 0.00 59.70 58.25 2wdg h MET 125 Cb 1.09 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 32.57 2wdg h MET 125 CO -0.04 -0.00 0.10 -0.25 1.06 0.00 0.00 176.91 177.78 2wdg n ASP 126 N -2.02 -0.04 0.33 1.22 10.43 -0.53 0.76 116.55 126.70 2wdg n ASP 126 Ca -0.00 1.65 -0.15 0.00 2.57 0.00 0.00 54.79 58.86 2wdg n ASP 126 Cb 0.00 -0.63 -0.07 0.00 1.84 0.00 0.00 41.12 42.26 2wdg n ASP 126 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wdg h ALA 127 N 1.94 -1.19 -0.95 2.24 0.00 -0.79 0.81 119.26 121.33 2wdg h ALA 127 Ca 0.63 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.52 2wdg h ALA 127 Cb 1.36 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 19.53 2wdg h ALA 127 CO -0.89 -1.15 0.55 0.00 0.00 0.00 0.00 179.25 177.76 2wdg h ALA 128 N -1.38 1.53 0.62 0.00 0.00 0.55 -0.36 119.26 120.23 2wdg h ALA 128 Ca -0.08 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2wdg h ALA 128 Cb 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2wdg h ALA 128 CO 0.09 -0.05 -0.32 1.49 0.00 0.00 0.00 179.25 180.46 2wdg h GLU 129 N 0.73 -0.84 0.00 0.00 4.81 0.77 -3.44 114.58 116.60 2wdg h GLU 129 Ca 0.54 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 2wdg h GLU 129 Cb 0.79 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2wdg h GLU 129 CO -0.37 -0.56 0.00 0.41 -0.73 0.00 0.00 179.01 177.76 2wdg n GLY 130 N -1.47 0.82 2.76 1.92 0.00 0.26 -5.04 105.19 104.44 2wdg n GLY 130 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 2wdg n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wdg n LYS 131 N 0.00 3.44 -3.97 1.61 2.85 -0.05 -4.90 118.16 117.13 2wdg n LYS 131 Ca 0.00 -4.10 -0.24 0.00 -1.05 0.00 0.00 58.31 52.92 2wdg n LYS 131 Cb 0.00 -2.30 -0.03 0.00 -0.65 0.00 0.00 35.03 32.05 2wdg n LYS 131 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2wdg s GLY 132 N -1.98 1.48 0.27 2.58 0.00 -1.15 -4.68 107.32 103.84 2wdg s GLY 132 Ca 0.48 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 44.12 2wdg s GLY 132 CO -0.28 -1.16 1.62 -1.33 0.00 0.00 0.00 173.10 171.95 2wdg h GLY 133 N 1.70 0.19 2.00 0.20 0.00 -1.93 0.49 103.07 105.73 2wdg h GLY 133 Ca -0.50 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 2wdg h GLY 133 CO 0.65 0.20 -0.04 0.00 0.00 0.00 0.00 176.54 177.34 2wdg h ALA 134 N 1.30 0.99 0.16 3.60 0.00 -1.89 -2.82 119.26 120.61 2wdg h ALA 134 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 2wdg h ALA 134 Cb 1.00 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2wdg h ALA 134 CO 0.08 0.05 -1.51 0.28 0.00 0.00 0.00 179.25 178.15 2wdg h VAL 135 N 0.00 1.05 -0.84 0.00 2.07 -1.57 -3.33 116.25 113.63 2wdg h VAL 135 Ca -0.00 -2.48 0.08 0.00 0.82 0.00 0.00 66.70 65.12 2wdg h VAL 135 Cb 0.72 2.80 -0.11 0.00 -1.52 0.00 0.00 31.29 33.18 2wdg h VAL 135 CO 0.00 0.78 -0.57 0.50 0.02 0.00 0.00 177.57 178.31 2wdg h LYS 136 N -0.10 -0.10 -0.33 1.57 3.11 0.21 -0.31 116.57 120.61 2wdg h LYS 136 Ca -0.30 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.62 2wdg h LYS 136 Cb 1.93 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 33.10 2wdg h LYS 136 CO 0.14 -0.07 -0.24 0.87 -2.81 0.00 0.00 179.45 177.34 2wdg h LYS 137 N -0.11 -0.19 -1.00 1.90 1.57 -1.69 -0.03 116.57 117.03 2wdg h LYS 137 Ca 0.15 0.01 0.39 0.00 -1.87 0.00 0.00 60.65 59.33 2wdg h LYS 137 Cb 0.47 0.04 -0.17 0.00 0.08 0.00 0.00 32.23 32.65 2wdg h LYS 137 CO -0.85 -0.13 0.53 -0.22 -0.57 0.00 0.00 179.45 178.22 2wdg h LYS 138 N -0.20 0.08 -0.02 3.15 3.64 -1.17 0.60 116.57 122.66 2wdg h LYS 138 Ca 0.17 -0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.35 2wdg h LYS 138 Cb 0.46 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2wdg h LYS 138 CO -0.45 0.05 -0.84 0.93 -2.27 0.00 0.00 179.45 176.88 2wdg h GLU 139 N 0.08 0.27 -0.12 1.90 5.08 -0.68 -2.01 114.58 119.10 2wdg h GLU 139 Ca 0.81 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.85 2wdg h GLU 139 Cb 2.08 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.40 2wdg h GLU 139 CO -0.73 0.96 -0.14 -0.44 -1.00 0.00 0.00 179.01 177.66 2wdg h ASP 140 N 0.16 0.33 0.17 1.42 5.19 0.49 -0.16 116.42 124.02 2wdg h ASP 140 Ca -0.04 -0.50 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 2wdg h ASP 140 Cb 1.44 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.86 2wdg h ASP 140 CO 0.13 0.77 0.00 0.58 -3.12 0.00 0.00 179.24 177.60 2wdg h VAL 141 N -0.10 0.00 0.03 -1.35 2.07 -0.93 -1.17 116.25 114.80 2wdg h VAL 141 Ca 0.02 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 2wdg h VAL 141 Cb 0.69 1.05 0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2wdg h VAL 141 CO 0.03 0.00 -0.37 -0.08 0.02 0.00 0.00 177.57 177.17 2wdg h GLU 142 N 0.00 0.20 -0.99 1.57 4.57 -0.54 -3.31 114.58 116.08 2wdg h GLU 142 Ca 0.00 -0.25 0.15 0.00 -1.18 0.00 0.00 59.36 58.08 2wdg h GLU 142 Cb 0.09 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 28.67 2wdg h GLU 142 CO 0.00 1.03 0.62 0.00 -1.18 0.00 0.00 179.01 179.48 2wdg h ARG 143 N -0.52 0.83 0.00 1.92 3.08 0.22 0.13 114.38 120.04 2wdg h ARG 143 Ca -0.06 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2wdg h ARG 143 Cb 1.19 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 2wdg h ARG 143 CO 0.07 0.55 -0.01 0.52 -1.07 0.00 0.00 179.97 180.03 2wdg h MET 144 N 0.86 0.00 -7.19 0.04 2.86 -1.59 -2.98 114.93 106.93 2wdg h MET 144 Ca 0.52 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.66 2wdg h MET 144 Cb 0.69 0.00 0.05 0.00 0.06 0.00 0.00 31.60 32.40 2wdg h MET 144 CO -0.30 0.01 0.29 0.00 1.06 0.00 0.00 176.91 177.98 2wdg s ALA 145 N -4.46 3.22 0.00 6.32 0.00 0.45 -3.05 121.76 124.24 2wdg s ALA 145 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2wdg s ALA 145 Cb 0.14 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.38 2wdg s ALA 145 CO 0.51 -0.55 0.00 0.39 0.00 0.00 0.00 175.76 176.11 2wdg n GLU 146 N -2.55 0.00 -0.29 0.00 -0.58 -1.26 -4.21 120.64 111.75 2wdg n GLU 146 Ca 0.04 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.95 2wdg n GLU 146 Cb 0.54 0.00 0.44 0.00 -0.57 0.00 0.00 31.44 31.86 2wdg n GLU 146 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdg h ALA 147 N 0.00 2.03 -0.23 0.62 0.00 -1.66 0.55 119.26 120.56 2wdg h ALA 147 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wdg h ALA 147 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wdg h ALA 147 CO 0.00 -0.35 0.00 0.09 0.00 0.00 0.00 179.25 178.99 2wdg n ASN 148 N -4.60 3.72 0.00 0.00 5.03 -1.17 -4.53 115.26 113.70 2wdg n ASN 148 Ca 0.21 -3.02 0.00 0.00 0.87 0.00 0.00 54.58 52.64 2wdg n ASN 148 Cb 0.67 -0.53 0.00 0.00 -1.02 0.00 0.00 39.78 38.90 2wdg n ASN 148 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2wdg n ARG 149 N -0.60 0.00 0.21 3.52 0.63 0.19 -0.66 116.66 119.94 2wdg n ARG 149 Ca 0.21 0.30 -0.15 0.00 -0.92 0.00 0.00 57.85 57.29 2wdg n ARG 149 Cb 0.86 -1.60 -0.08 0.00 0.45 0.00 0.00 32.46 32.10 2wdg n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdg h ALA 150 N 1.51 -0.48 -0.26 5.13 0.00 -1.80 -2.74 119.26 120.63 2wdg h ALA 150 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2wdg h ALA 150 Cb 0.19 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wdg h ALA 150 CO 0.00 -0.72 0.02 0.66 0.00 0.00 0.00 179.25 179.20 2wdg n TYR 151 N -5.26 0.92 -0.31 0.00 4.02 0.16 -4.37 117.16 112.32 2wdg n TYR 151 Ca -0.10 -0.35 0.09 0.00 -0.01 0.00 0.00 57.90 57.53 2wdg n TYR 151 Cb 0.24 -0.29 0.31 0.00 -0.02 0.00 0.00 39.34 39.57 2wdg n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wdg h ALA 152 N 2.78 1.68 0.00 -0.72 0.00 -1.51 0.95 119.26 122.43 2wdg h ALA 152 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wdg h ALA 152 Cb 1.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2wdg h ALA 152 CO 0.23 0.08 0.00 -2.39 0.00 0.00 0.00 179.25 177.17 2wdg n HIS 153 N -4.59 0.00 -0.92 0.00 1.44 -1.26 -1.81 115.22 108.08 2wdg n HIS 153 Ca 0.18 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.97 2wdg n HIS 153 Cb 0.41 0.00 0.33 0.00 0.12 0.00 0.00 29.99 30.85 2wdg n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2wdg n TYR 154 N -0.88 1.50 0.00 -1.40 0.53 0.33 -4.77 117.16 112.47 2wdg n TYR 154 Ca 0.06 -0.79 0.00 0.00 -1.02 0.00 0.00 57.90 56.16 2wdg n TYR 154 Cb 0.03 -0.40 0.00 0.00 -1.03 0.00 0.00 39.34 37.94 2wdg n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2wdg n ARG 155 N 0.13 0.00 0.00 -0.72 1.74 -0.75 -4.98 116.66 112.08 2wdg n ARG 155 Ca 0.24 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 2wdg n ARG 155 Cb 1.03 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 2wdg n ARG 155 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44