#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwg s GLU 8 N 0.00 3.81 0.87 -0.52 2.02 -1.26 -4.83 118.70 118.78 1jwg s GLU 8 Ca 0.00 -2.48 -0.09 0.00 0.02 0.00 0.00 54.97 52.41 1jwg s GLU 8 Cb 0.00 -4.66 0.18 0.00 0.10 0.00 0.00 34.13 29.75 1jwg s GLU 8 CO 0.00 -1.46 1.19 0.95 0.02 0.00 0.00 175.26 175.96 1jwg s THR 9 N 0.64 2.03 0.28 3.63 -4.23 -1.26 -4.86 115.64 111.87 1jwg s THR 9 Ca 0.28 -0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1jwg s THR 9 Cb -0.08 -2.76 0.10 0.00 1.34 0.00 0.00 72.50 71.10 1jwg s THR 9 CO -0.08 0.00 1.77 -0.07 -0.54 0.00 0.00 174.62 175.70 1jwg h LEU 10 N -1.21 0.59 0.46 4.79 3.38 -1.96 -1.11 115.31 120.26 1jwg h LEU 10 Ca -0.40 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1jwg h LEU 10 Cb 1.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1jwg h LEU 10 CO 0.37 0.73 -0.23 -0.33 0.09 0.00 0.00 178.44 179.07 1jwg h GLU 11 N 0.56 -0.61 -0.82 1.13 3.07 -1.97 -0.04 114.58 115.90 1jwg h GLU 11 Ca 0.10 0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1jwg h GLU 11 Cb 0.52 0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.52 1jwg h GLU 11 CO 0.03 -0.40 0.46 0.00 -1.40 0.00 0.00 179.01 177.70 1jwg h ALA 12 N -0.09 1.28 -0.36 3.43 0.00 -1.83 -1.24 119.26 120.45 1jwg h ALA 12 Ca -0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1jwg h ALA 12 Cb 0.49 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1jwg h ALA 12 CO 0.10 0.60 -0.02 0.00 0.00 0.00 0.00 179.25 179.93 1jwg h ARG 13 N 1.14 0.65 0.00 0.00 3.08 -1.03 -2.10 114.38 116.12 1jwg h ARG 13 Ca 0.29 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1jwg h ARG 13 Cb -0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1jwg h ARG 13 CO -0.05 0.77 -0.48 0.97 -1.07 0.00 0.00 179.97 180.11 1jwg h ILE 14 N 0.46 1.22 -0.27 2.04 6.09 -0.70 0.40 117.51 126.75 1jwg h ILE 14 Ca 0.10 -1.70 -0.09 0.00 -1.37 0.00 0.00 64.86 61.80 1jwg h ILE 14 Cb 0.49 1.95 -0.01 0.00 0.47 0.00 0.00 36.82 39.71 1jwg h ILE 14 CO 0.02 0.47 -0.21 0.78 -3.07 0.00 0.00 178.15 176.14 1jwg h ASN 15 N 0.00 0.48 0.11 2.19 2.35 -1.01 -1.55 115.58 118.15 1jwg h ASN 15 Ca -0.00 -0.15 -0.23 0.00 -0.55 0.00 0.00 56.30 55.36 1jwg h ASN 15 Cb 0.91 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 39.17 1jwg h ASN 15 CO 0.06 0.71 -0.98 -0.09 -1.65 0.00 0.00 177.43 175.48 1jwg h ARG 16 N 0.44 0.48 0.00 0.81 2.43 -0.90 -2.51 114.38 115.12 1jwg h ARG 16 Ca 0.07 -0.65 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1jwg h ARG 16 Cb 0.62 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1jwg h ARG 16 CO 0.04 1.28 0.00 0.00 -1.51 0.00 0.00 179.97 179.78 1jwg h ALA 17 N 0.23 1.00 0.00 2.80 0.00 -0.70 -3.10 119.26 119.49 1jwg h ALA 17 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jwg h ALA 17 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1jwg h ALA 17 CO 0.19 0.00 -0.05 0.25 0.00 0.00 0.00 179.25 179.64 1jwg n THR 18 N -2.76 1.04 -1.68 0.00 -2.24 -0.60 -4.72 114.28 103.32 1jwg n THR 18 Ca 0.01 -1.15 -0.44 0.00 -2.27 0.00 0.00 64.05 60.20 1jwg n THR 18 Cb 0.28 0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 1jwg n THR 18 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jwg n ASN 19 N -0.67 3.84 0.23 3.42 2.85 -0.94 -4.46 115.26 119.52 1jwg n ASN 19 Ca 0.05 0.97 0.18 0.00 -0.11 0.00 0.00 54.58 55.67 1jwg n ASN 19 Cb 0.45 -1.48 0.84 0.00 1.24 0.00 0.00 39.78 40.83 1jwg n ASN 19 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1jwg h PRO 20 N 9.09 0.00 0.00 1.20 0.11 -1.90 -0.80 132.00 139.70 1jwg h PRO 20 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1jwg h PRO 20 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jwg h PRO 20 CO 0.94 0.00 -0.22 1.28 -0.21 0.00 0.00 178.00 179.79 1jwg n LEU 21 N -3.41 0.39 -4.67 2.35 4.77 -1.26 -4.87 117.00 110.29 1jwg n LEU 21 Ca 0.02 0.35 -0.46 0.00 -0.03 0.00 0.00 56.01 55.89 1jwg n LEU 21 Cb 0.41 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1jwg n LEU 21 CO 0.22 -0.01 1.20 0.59 -1.33 0.00 0.00 177.39 178.06 1jwg n ASN 22 N -1.74 3.15 0.11 -1.43 3.02 -0.31 -4.87 115.26 113.19 1jwg n ASN 22 Ca 0.06 1.09 0.12 0.00 -0.03 0.00 0.00 54.58 55.82 1jwg n ASN 22 Cb 0.37 -1.44 0.24 0.00 -0.61 0.00 0.00 39.78 38.34 1jwg n ASN 22 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1jwg h LYS 23 N 5.88 0.00 -3.20 3.52 1.57 -1.90 -3.47 116.57 118.98 1jwg h LYS 23 Ca -0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1jwg h LYS 23 Cb 1.25 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.45 1jwg h LYS 23 CO 0.89 0.00 0.09 -1.83 -0.57 0.00 0.00 179.45 178.02 1jwg s GLU 24 N -3.17 1.33 0.19 3.15 -1.05 -1.26 -5.12 118.70 112.77 1jwg s GLU 24 Ca 0.07 -0.72 -0.33 0.00 -0.15 0.00 0.00 54.97 53.85 1jwg s GLU 24 Cb 0.11 0.54 -0.14 0.00 -0.44 0.00 0.00 34.13 34.20 1jwg s GLU 24 CO 0.67 -0.57 1.38 1.28 0.95 0.00 0.00 175.26 178.97 1jwg n LEU 25 N -0.34 2.60 -4.35 1.83 4.77 -1.26 -4.89 117.00 115.37 1jwg n LEU 25 Ca -0.13 1.13 -0.45 0.00 -0.03 0.00 0.00 56.01 56.53 1jwg n LEU 25 Cb 0.63 -1.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.36 1jwg n LEU 25 CO 0.15 -0.69 0.73 -0.62 -1.33 0.00 0.00 177.39 175.64 1jwg s ASP 26 N 0.37 7.13 0.37 -1.43 -1.08 -1.26 -4.90 116.67 115.86 1jwg s ASP 26 Ca 0.73 -3.25 0.05 0.00 -0.52 0.00 0.00 52.55 49.55 1jwg s ASP 26 Cb -0.73 -2.23 0.72 0.00 -1.46 0.00 0.00 42.92 39.22 1jwg s ASP 26 CO 0.48 -0.42 1.99 -0.50 0.52 0.00 0.00 175.17 177.24 1jwg h TRP 27 N 7.08 0.62 -0.43 -5.34 4.06 -1.97 -1.16 115.95 118.80 1jwg h TRP 27 Ca 0.17 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.12 1jwg h TRP 27 Cb 0.93 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.86 1jwg h TRP 27 CO 0.87 0.44 0.28 0.00 -3.56 0.00 0.00 178.44 176.47 1jwg h ALA 28 N 1.63 0.55 -0.28 1.49 0.00 -1.99 0.89 119.26 121.55 1jwg h ALA 28 Ca 0.16 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1jwg h ALA 28 Cb 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1jwg h ALA 28 CO -0.03 -0.02 -0.35 0.77 0.00 0.00 0.00 179.25 179.63 1jwg h SER 29 N 0.56 0.79 -0.07 0.00 0.02 -1.76 -1.65 113.55 111.43 1jwg h SER 29 Ca 0.16 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1jwg h SER 29 Cb -0.04 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1jwg h SER 29 CO -0.05 1.13 0.02 0.40 -1.14 0.00 0.00 176.83 177.19 1jwg h ILE 30 N 0.47 0.98 -0.49 3.27 2.04 -1.02 -1.36 117.51 121.40 1jwg h ILE 30 Ca 0.04 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 1jwg h ILE 30 Cb 0.93 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1jwg h ILE 30 CO 0.08 0.01 0.02 0.78 0.00 0.00 0.00 178.15 179.04 1jwg h ASN 31 N 0.06 0.77 -0.21 1.72 2.35 -0.84 -2.64 115.58 116.78 1jwg h ASN 31 Ca 0.03 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 1jwg h ASN 31 Cb 0.02 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1jwg h ASN 31 CO -0.04 0.82 -0.02 1.23 -1.65 0.00 0.00 177.43 177.78 1jwg h GLY 32 N 0.97 0.54 0.81 2.83 0.00 -1.07 0.39 103.07 107.55 1jwg h GLY 32 Ca 0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1jwg h GLY 32 CO 0.02 0.30 -0.04 -2.75 0.00 0.00 0.00 176.54 174.07 1jwg h PHE 33 N 0.48 0.44 -0.15 5.60 3.04 -0.91 -0.44 116.94 125.01 1jwg h PHE 33 Ca 0.10 -0.09 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1jwg h PHE 33 Cb 0.34 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 1jwg h PHE 33 CO 0.01 0.63 0.07 0.00 -2.02 0.00 0.00 178.31 177.01 1jwg h GLU 35 N 0.12 -0.55 -0.01 0.00 5.08 -0.92 -3.07 114.58 115.23 1jwg h GLU 35 Ca 0.05 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1jwg h GLU 35 Cb 0.11 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1jwg h GLU 35 CO -0.01 -0.36 0.00 0.37 -1.00 0.00 0.00 179.01 178.01 1jwg h GLN 36 N -0.57 0.01 0.00 2.33 5.75 -0.92 -3.15 115.11 118.56 1jwg h GLN 36 Ca 0.02 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1jwg h GLN 36 Cb 0.58 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.13 1jwg h GLN 36 CO -0.17 0.01 -0.10 1.37 -2.65 0.00 0.00 178.83 177.29 1jwg h LEU 37 N 0.01 0.00 -0.24 -2.39 -0.00 -1.16 -2.51 115.31 109.02 1jwg h LEU 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1jwg h LEU 37 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1jwg h LEU 37 CO -0.00 0.10 -0.45 0.59 -0.00 0.00 0.00 178.44 178.68 1jwg n ASN 38 N -3.31 0.82 -0.89 0.17 3.02 -1.19 -2.98 115.26 110.90 1jwg n ASN 38 Ca -0.00 -0.62 -0.00 0.00 -0.03 0.00 0.00 54.58 53.92 1jwg n ASN 38 Cb 0.30 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1jwg n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jwg n GLU 39 N -1.10 1.03 -3.60 3.52 4.71 -0.95 -4.70 120.64 119.55 1jwg n GLU 39 Ca 0.08 -0.05 -0.10 0.00 -0.01 0.00 0.00 57.16 57.08 1jwg n GLU 39 Cb 0.35 -1.15 -0.06 0.00 -1.01 0.00 0.00 31.44 29.57 1jwg n GLU 39 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1jwg s ASP 40 N 0.70 -0.40 0.19 1.62 2.15 -1.26 -5.02 116.67 114.66 1jwg s ASP 40 Ca 0.01 0.59 -0.09 0.00 0.43 0.00 0.00 52.55 53.49 1jwg s ASP 40 Cb 0.01 0.54 0.09 0.00 -0.30 0.00 0.00 42.92 43.26 1jwg s ASP 40 CO 0.00 -0.26 1.69 0.15 -0.17 0.00 0.00 175.17 176.59 1jwg h PHE 41 N 3.26 1.13 -0.06 -5.34 3.04 -1.90 -2.92 116.94 114.15 1jwg h PHE 41 Ca -0.23 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.58 1jwg h PHE 41 Cb 1.17 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.36 1jwg h PHE 41 CO 0.30 0.94 0.00 0.39 -2.02 0.00 0.00 178.31 177.92 1jwg n GLU 42 N -4.27 1.64 0.39 1.11 -0.58 -1.26 -4.43 120.64 113.25 1jwg n GLU 42 Ca 0.04 -0.95 -0.19 0.00 -0.42 0.00 0.00 57.16 55.65 1jwg n GLU 42 Cb 0.27 -1.45 -0.09 0.00 -0.57 0.00 0.00 31.44 29.59 1jwg n GLU 42 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1jwg h GLY 43 N 4.92 -1.21 -0.00 0.62 0.00 -1.67 -3.00 103.07 102.73 1jwg h GLY 43 Ca 0.00 0.50 0.11 0.00 0.00 0.00 0.00 47.33 47.95 1jwg h GLY 43 CO 0.00 -0.41 -0.04 -2.55 0.00 0.00 0.00 176.54 173.54 1jwg h PRO 44 N -1.09 0.08 -0.49 4.80 0.11 -1.75 0.17 132.00 133.83 1jwg h PRO 44 Ca -0.09 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.94 1jwg h PRO 44 Cb 0.88 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 1jwg h PRO 44 CO 0.08 0.05 0.00 -1.35 -0.21 0.00 0.00 178.00 176.58 1jwg h PRO 45 N 0.08 0.82 -0.17 1.05 0.11 -1.87 -1.33 132.00 130.70 1jwg h PRO 45 Ca 0.29 -0.22 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1jwg h PRO 45 Cb 0.45 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1jwg h PRO 45 CO -0.51 0.82 0.03 1.25 -0.21 0.00 0.00 178.00 179.38 1jwg h LEU 46 N 0.77 0.27 -0.54 2.35 6.46 -1.20 -1.60 115.31 121.81 1jwg h LEU 46 Ca 0.15 -0.26 0.10 0.00 -0.12 0.00 0.00 57.88 57.75 1jwg h LEU 46 Cb 0.46 -0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.24 1jwg h LEU 46 CO 0.02 0.47 0.07 0.00 -0.62 0.00 0.00 178.44 178.37 1jwg h ALA 47 N 0.82 0.58 -0.03 1.25 0.00 -0.35 -0.48 119.26 121.06 1jwg h ALA 47 Ca 0.05 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1jwg h ALA 47 Cb 0.31 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1jwg h ALA 47 CO 0.00 -0.34 -0.53 0.00 0.00 0.00 0.00 179.25 178.38 1jwg h THR 48 N 0.19 1.38 -0.19 0.00 1.03 -1.17 0.65 112.91 114.80 1jwg h THR 48 Ca 0.28 -1.83 -0.19 0.00 -0.01 0.00 0.00 66.41 64.65 1jwg h THR 48 Cb 0.41 1.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.45 1jwg h THR 48 CO -0.40 0.53 -0.66 -0.09 -0.01 0.00 0.00 175.52 174.89 1jwg h ARG 49 N 0.06 0.72 -0.29 0.00 2.43 -0.47 -1.14 114.38 115.69 1jwg h ARG 49 Ca -0.00 -0.52 -0.05 0.00 -0.81 0.00 0.00 59.98 58.60 1jwg h ARG 49 Cb 0.96 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1jwg h ARG 49 CO 0.07 1.14 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.58 1jwg h LEU 50 N 0.52 0.52 -0.48 3.80 3.38 -0.75 -2.74 115.31 119.56 1jwg h LEU 50 Ca -0.02 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1jwg h LEU 50 Cb 1.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1jwg h LEU 50 CO 0.13 0.72 0.27 -0.07 0.09 0.00 0.00 178.44 179.58 1jwg h LEU 51 N 0.30 0.60 -0.88 1.67 3.38 -0.85 -1.80 115.31 117.72 1jwg h LEU 51 Ca 0.08 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1jwg h LEU 51 Cb 0.47 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1jwg h LEU 51 CO 0.02 0.51 0.55 0.00 0.09 0.00 0.00 178.44 179.61 1jwg h ALA 52 N 1.11 1.21 -0.32 1.53 0.00 -1.14 -0.70 119.26 120.95 1jwg h ALA 52 Ca 0.17 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1jwg h ALA 52 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1jwg h ALA 52 CO -0.03 0.32 -0.16 1.25 0.00 0.00 0.00 179.25 180.64 1jwg h HIS 53 N 1.02 0.78 -0.29 0.00 -0.00 -1.14 -3.04 115.15 112.49 1jwg h HIS 53 Ca 0.38 -0.19 -0.04 0.00 -0.00 0.00 0.00 60.37 60.52 1jwg h HIS 53 Cb 0.15 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 1jwg h HIS 53 CO -0.03 0.89 -0.00 0.87 -0.00 0.00 0.00 177.93 179.66 1jwg h LYS 54 N 0.45 0.44 0.00 5.26 1.79 -0.74 -2.70 116.57 121.07 1jwg h LYS 54 Ca 0.07 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1jwg h LYS 54 Cb 0.69 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1jwg h LYS 54 CO 0.05 0.47 -0.39 0.82 -1.08 0.00 0.00 179.45 179.32 1jwg h ILE 55 N 0.42 1.07 -0.05 1.86 2.04 -1.10 -1.91 117.51 119.84 1jwg h ILE 55 Ca 0.09 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1jwg h ILE 55 Cb 0.28 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1jwg h ILE 55 CO 0.01 0.38 0.00 0.00 0.00 0.00 0.00 178.15 178.54 1jwg n GLN 56 N -3.78 1.25 -1.93 2.37 6.02 -1.02 -4.77 117.38 115.53 1jwg n GLN 56 Ca -0.01 -0.38 -0.41 0.00 -0.01 0.00 0.00 57.00 56.19 1jwg n GLN 56 Cb 0.46 -1.34 -0.02 0.00 1.02 0.00 0.00 30.24 30.37 1jwg n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jwg s SER 57 N -1.61 6.54 0.29 1.08 0.15 -0.72 -4.87 113.70 114.56 1jwg s SER 57 Ca 0.31 2.83 0.24 0.00 0.70 0.00 0.00 55.95 60.03 1jwg s SER 57 Cb 0.15 -2.64 1.04 0.00 -1.71 0.00 0.00 66.02 62.86 1jwg s SER 57 CO 0.24 -0.75 1.72 -2.65 1.20 0.00 0.00 173.24 173.00 1jwg n PRO 58 N 1.44 0.20 -3.01 5.44 -0.02 -1.26 -4.46 135.00 133.32 1jwg n PRO 58 Ca 0.04 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 1jwg n PRO 58 Cb 0.40 -1.91 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1jwg n PRO 58 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1jwg s GLN 59 N -3.38 3.48 0.14 -0.52 -0.21 -1.26 -4.95 119.66 112.96 1jwg s GLN 59 Ca 0.03 -0.06 -0.19 0.00 0.02 0.00 0.00 55.36 55.15 1jwg s GLN 59 Cb 0.09 -3.90 0.02 0.00 1.00 0.00 0.00 33.01 30.21 1jwg s GLN 59 CO 0.37 -1.00 1.68 1.49 -2.12 0.00 0.00 175.29 175.71 1jwg h GLU 60 N 8.81 -0.04 0.00 2.91 4.81 -2.00 -1.70 114.58 127.37 1jwg h GLU 60 Ca -0.25 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1jwg h GLU 60 Cb 1.09 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1jwg h GLU 60 CO 0.92 -0.03 -0.12 2.35 -0.73 0.00 0.00 179.01 181.40 1jwg h TRP 61 N -0.05 0.00 -0.00 0.92 -0.00 -1.95 0.39 115.95 115.27 1jwg h TRP 61 Ca 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.02 1jwg h TRP 61 Cb 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.40 1jwg h TRP 61 CO -0.28 0.12 -0.00 1.49 -0.00 0.00 0.00 178.44 179.77 1jwg h GLU 62 N 0.00 0.00 -0.02 2.65 4.81 -1.55 -1.33 114.58 119.15 1jwg h GLU 62 Ca -0.00 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1jwg h GLU 62 Cb 0.22 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1jwg h GLU 62 CO 0.02 0.38 -0.03 0.00 -0.73 0.00 0.00 179.01 178.65 1jwg h ALA 63 N 0.62 -0.01 -0.58 2.92 0.00 -0.59 -1.23 119.26 120.40 1jwg h ALA 63 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1jwg h ALA 63 Cb 0.38 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1jwg h ALA 63 CO 0.00 -0.52 0.31 0.82 0.00 0.00 0.00 179.25 179.86 1jwg h ILE 64 N -0.04 0.98 -0.77 0.00 1.08 -0.30 0.12 117.51 118.58 1jwg h ILE 64 Ca 0.02 -0.20 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1jwg h ILE 64 Cb 0.06 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 1jwg h ILE 64 CO -0.04 0.11 0.39 1.56 -0.69 0.00 0.00 178.15 179.48 1jwg h GLN 65 N 0.60 1.09 -0.85 2.37 4.20 -1.05 -1.72 115.11 119.75 1jwg h GLN 65 Ca 0.25 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1jwg h GLN 65 Cb 0.13 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 1jwg h GLN 65 CO -0.16 0.84 0.41 0.00 -0.67 0.00 0.00 178.83 179.24 1jwg h ALA 66 N 1.20 1.10 -0.14 3.87 0.00 -0.36 -0.51 119.26 124.42 1jwg h ALA 66 Ca 0.27 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1jwg h ALA 66 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1jwg h ALA 66 CO -0.04 0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 179.64 1jwg h LEU 67 N 1.21 0.22 -0.32 0.00 3.38 -0.45 -1.09 115.31 118.26 1jwg h LEU 67 Ca 0.29 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 1jwg h LEU 67 Cb 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1jwg h LEU 67 CO -0.04 0.41 -0.26 0.74 0.09 0.00 0.00 178.44 179.38 1jwg h THR 68 N 0.22 1.29 0.13 0.22 2.02 -0.65 0.34 112.91 116.47 1jwg h THR 68 Ca 0.04 -1.42 0.01 0.00 0.77 0.00 0.00 66.41 65.82 1jwg h THR 68 Cb 0.43 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1jwg h THR 68 CO 0.03 0.46 -0.23 0.58 0.37 0.00 0.00 175.52 176.73 1jwg h VAL 69 N 0.50 0.49 -0.24 3.16 2.07 -0.87 -0.58 116.25 120.79 1jwg h VAL 69 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1jwg h VAL 69 Cb 0.83 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1jwg h VAL 69 CO 0.07 0.00 -0.04 0.25 0.02 0.00 0.00 177.57 177.86 1jwg h LEU 70 N -0.43 -0.19 -0.37 2.57 5.85 -1.08 0.17 115.31 121.82 1jwg h LEU 70 Ca 0.02 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1jwg h LEU 70 Cb 0.45 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1jwg h LEU 70 CO -0.12 -0.06 -0.03 -0.08 -0.34 0.00 0.00 178.44 177.81 1jwg h GLU 71 N 0.02 0.07 -0.37 1.25 4.81 -0.84 -0.97 114.58 118.55 1jwg h GLU 71 Ca 0.12 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1jwg h GLU 71 Cb 0.17 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1jwg h GLU 71 CO -0.23 0.04 0.23 1.15 -0.73 0.00 0.00 179.01 179.47 1jwg h THR 72 N 0.07 1.12 -0.32 0.32 2.02 -0.14 -1.15 112.91 114.83 1jwg h THR 72 Ca 0.18 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 1jwg h THR 72 Cb 0.26 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1jwg h THR 72 CO -0.33 0.12 -0.21 0.00 0.37 0.00 0.00 175.52 175.46 1jwg h MET 74 N 0.54 0.18 0.00 0.00 2.07 -0.78 -2.70 114.93 114.24 1jwg h MET 74 Ca 0.08 -0.10 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1jwg h MET 74 Cb 0.66 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.40 1jwg h MET 74 CO 0.05 0.62 0.00 1.63 1.07 0.00 0.00 176.91 180.28 1jwg n LYS 75 N -3.98 0.15 -4.00 1.72 5.02 -0.47 -4.74 118.16 111.87 1jwg n LYS 75 Ca -0.02 0.47 -0.29 0.00 -2.02 0.00 0.00 58.31 56.45 1jwg n LYS 75 Cb 0.51 -1.84 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1jwg n LYS 75 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1jwg s SER 76 N -4.03 5.92 0.44 4.39 0.01 -1.02 -5.07 113.70 114.35 1jwg s SER 76 Ca 0.03 0.08 -0.25 0.00 1.31 0.00 0.00 55.95 57.11 1jwg s SER 76 Cb 0.08 -1.69 -0.08 0.00 0.21 0.00 0.00 66.02 64.53 1jwg s SER 76 CO 0.31 0.13 1.42 0.00 0.41 0.00 0.00 173.24 175.51 1jwg n GLY 78 N 0.58 0.64 0.23 0.00 0.00 -1.26 -5.04 105.19 100.33 1jwg n GLY 78 Ca 0.05 0.51 -0.07 0.00 0.00 0.00 0.00 46.02 46.51 1jwg n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jwg h LYS 79 N 0.00 0.73 -0.12 1.61 3.64 -1.98 -2.00 116.57 118.45 1jwg h LYS 79 Ca 0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1jwg h LYS 79 Cb 0.00 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1jwg h LYS 79 CO 0.00 0.51 0.06 0.00 -2.27 0.00 0.00 179.45 177.75 1jwg h ARG 80 N 0.74 0.17 -0.26 1.90 3.08 -1.98 0.17 114.38 118.19 1jwg h ARG 80 Ca 0.20 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1jwg h ARG 80 Cb -0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1jwg h ARG 80 CO -0.04 0.20 0.03 0.35 -1.07 0.00 0.00 179.97 179.44 1jwg h PHE 81 N 0.09 0.47 -0.83 3.04 3.57 -1.93 -0.45 116.94 120.90 1jwg h PHE 81 Ca 0.04 -0.07 0.11 0.00 3.53 0.00 0.00 57.97 61.58 1jwg h PHE 81 Cb 0.08 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 38.61 1jwg h PHE 81 CO -0.04 0.56 0.47 0.45 -2.23 0.00 0.00 178.31 177.52 1jwg h HIS 82 N 0.25 0.84 -0.20 0.41 3.86 -1.19 -1.51 115.15 117.60 1jwg h HIS 82 Ca 0.08 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.18 1jwg h HIS 82 Cb 0.35 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1jwg h HIS 82 CO 0.03 0.32 -0.48 -0.44 0.86 0.00 0.00 177.93 178.21 1jwg h ASP 83 N 0.76 0.56 -0.39 2.45 3.45 -0.30 -1.52 116.42 121.43 1jwg h ASP 83 Ca 0.41 -0.27 -0.04 0.00 0.43 0.00 0.00 57.03 57.56 1jwg h ASP 83 Cb 0.42 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 1jwg h ASP 83 CO -0.27 0.95 0.09 -0.33 -1.57 0.00 0.00 179.24 178.11 1jwg h GLU 84 N 0.41 0.62 0.00 3.56 4.39 -0.30 -2.44 114.58 120.82 1jwg h GLU 84 Ca 0.02 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 1jwg h GLU 84 Cb 0.99 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1jwg h GLU 84 CO 0.09 0.65 -0.39 0.28 -1.16 0.00 0.00 179.01 178.49 1jwg h VAL 85 N 0.48 1.24 0.00 3.13 2.07 -1.28 -2.14 116.25 119.75 1jwg h VAL 85 Ca 0.12 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1jwg h VAL 85 Cb 0.31 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1jwg h VAL 85 CO 0.00 0.38 0.00 0.61 0.02 0.00 0.00 177.57 178.58 1jwg n GLY 86 N -0.38 -0.35 3.86 2.17 0.00 -0.58 -4.09 105.19 105.83 1jwg n GLY 86 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1jwg n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jwg s LYS 87 N -1.75 3.19 0.53 1.61 1.02 -0.81 -4.48 119.74 119.05 1jwg s LYS 87 Ca 0.00 -0.63 0.23 0.00 0.02 0.00 0.00 55.97 55.59 1jwg s LYS 87 Cb 0.00 -2.86 1.47 0.00 -0.52 0.00 0.00 37.83 35.91 1jwg s LYS 87 CO 0.00 0.55 2.15 0.74 -0.92 0.00 0.00 175.35 177.87 1jwg h PHE 88 N 2.78 0.00 -0.81 3.18 0.04 -1.88 -0.47 116.94 119.77 1jwg h PHE 88 Ca -0.47 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.46 1jwg h PHE 88 Cb 1.18 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.27 1jwg h PHE 88 CO 0.58 0.05 0.54 -0.09 -0.60 0.00 0.00 178.31 178.80 1jwg h ARG 89 N 0.00 0.44 0.01 1.51 2.43 -1.94 0.33 114.38 117.17 1jwg h ARG 89 Ca -0.00 -0.03 -0.36 0.00 -0.81 0.00 0.00 59.98 58.78 1jwg h ARG 89 Cb 0.11 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 1jwg h ARG 89 CO 0.01 0.29 -2.01 0.34 -1.51 0.00 0.00 179.97 177.09 1jwg n PHE 90 N -4.50 0.50 -0.36 2.20 7.35 -0.44 -4.39 117.46 117.82 1jwg n PHE 90 Ca 0.16 0.19 0.10 0.00 -0.76 0.00 0.00 57.45 57.14 1jwg n PHE 90 Cb 0.56 -1.05 0.28 0.00 0.35 0.00 0.00 39.48 39.62 1jwg n PHE 90 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jwg h LEU 91 N -0.80 0.85 -1.45 -2.13 3.38 -0.96 -0.20 115.31 114.01 1jwg h LEU 91 Ca -0.54 0.07 0.09 0.00 0.09 0.00 0.00 57.88 57.60 1jwg h LEU 91 Cb 1.57 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.19 1jwg h LEU 91 CO -0.26 0.38 0.47 0.78 0.09 0.00 0.00 178.44 179.90 1jwg h ASN 92 N 0.88 0.55 -0.34 -0.43 2.35 -0.57 0.13 115.58 118.15 1jwg h ASN 92 Ca 0.54 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 56.21 1jwg h ASN 92 Cb 0.69 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 1jwg h ASN 92 CO -0.32 0.33 -0.08 -0.33 -1.65 0.00 0.00 177.43 175.38 1jwg h GLU 93 N 0.62 0.77 -0.20 0.81 4.39 -1.23 -2.08 114.58 117.65 1jwg h GLU 93 Ca 0.33 -0.24 -0.15 0.00 0.34 0.00 0.00 59.36 59.64 1jwg h GLU 93 Cb 0.47 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1jwg h GLU 93 CO -0.11 0.83 -0.49 -0.07 -1.16 0.00 0.00 179.01 178.01 1jwg h LEU 94 N 0.70 0.58 -0.76 1.33 3.38 -1.13 -3.25 115.31 116.16 1jwg h LEU 94 Ca 0.12 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1jwg h LEU 94 Cb 0.55 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1jwg h LEU 94 CO 0.03 0.98 -0.25 0.40 0.09 0.00 0.00 178.44 179.68 1jwg h ILE 95 N 0.42 1.27 -0.71 1.22 2.04 -0.72 -2.54 117.51 118.49 1jwg h ILE 95 Ca 0.02 -1.35 0.08 0.00 1.00 0.00 0.00 64.86 64.62 1jwg h ILE 95 Cb 1.01 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 1jwg h ILE 95 CO 0.09 0.44 0.47 0.11 0.00 0.00 0.00 178.15 179.26 1jwg h LYS 96 N 0.57 0.64 -0.31 2.37 1.57 -1.42 -0.95 116.57 119.04 1jwg h LYS 96 Ca 0.08 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1jwg h LYS 96 Cb 0.74 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1jwg h LYS 96 CO 0.06 0.42 -0.29 0.28 -0.57 0.00 0.00 179.45 179.35 1jwg h VAL 97 N 0.66 1.28 -0.01 0.50 2.07 -1.50 0.23 116.25 119.48 1jwg h VAL 97 Ca 0.32 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1jwg h VAL 97 Cb 0.38 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1jwg h VAL 97 CO -0.11 0.46 -0.54 1.33 0.02 0.00 0.00 177.57 178.73 1jwg n VAL 98 N -4.08 0.00 -3.76 2.57 0.24 -0.69 -2.96 118.33 109.64 1jwg n VAL 98 Ca -0.01 -0.15 -0.35 0.00 -2.04 0.00 0.00 64.34 61.79 1jwg n VAL 98 Cb 0.46 0.91 -0.08 0.00 -1.47 0.00 0.00 33.84 33.65 1jwg n VAL 98 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1jwg s SER 99 N -2.64 6.10 0.62 -1.34 0.01 -0.45 -4.68 113.70 111.33 1jwg s SER 99 Ca 0.17 0.19 0.31 0.00 1.31 0.00 0.00 55.95 57.92 1jwg s SER 99 Cb 0.18 -2.07 1.67 0.00 0.21 0.00 0.00 66.02 66.01 1jwg s SER 99 CO 0.63 0.16 2.01 -0.65 0.41 0.00 0.00 173.24 175.80 1jwg h PRO 100 N 6.81 0.00 0.00 12.44 0.11 -1.89 0.15 132.00 149.62 1jwg h PRO 100 Ca -0.40 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.65 1jwg h PRO 100 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1jwg h PRO 100 CO 0.74 0.00 -0.28 -0.22 -0.21 0.00 0.00 178.00 178.03 1jwg h LYS 101 N 0.00 0.00 0.00 1.05 3.64 -1.92 -3.41 116.57 115.93 1jwg h LYS 101 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1jwg h LYS 101 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1jwg h LYS 101 CO -0.00 0.28 0.00 0.66 -2.27 0.00 0.00 179.45 178.12 1jwg n TYR 102 N -3.38 0.00 0.67 1.91 4.02 0.36 -4.98 117.16 115.76 1jwg n TYR 102 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.97 1jwg n TYR 102 Cb 0.49 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.80 1jwg n TYR 102 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1jwg n LEU 103 N 0.00 1.50 -0.35 7.72 4.77 0.82 -4.70 117.00 126.77 1jwg n LEU 103 Ca 0.00 -0.75 0.09 0.00 -0.03 0.00 0.00 56.01 55.32 1jwg n LEU 103 Cb 0.00 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.35 1jwg n LEU 103 CO 0.00 0.29 1.20 1.23 -1.33 0.00 0.00 177.39 178.78 1jwg h GLY 104 N 3.28 1.64 2.00 -0.72 0.00 -0.97 -1.50 103.07 106.80 1jwg h GLY 104 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1jwg h GLY 104 CO 0.00 0.06 0.00 -1.14 0.00 0.00 0.00 176.54 175.46 1jwg n SER 105 N -4.70 0.72 -0.60 0.19 3.41 -1.26 -2.46 113.62 108.91 1jwg n SER 105 Ca 0.20 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.55 1jwg n SER 105 Cb 0.43 -0.83 0.10 0.00 -0.26 0.00 0.00 64.21 63.65 1jwg n SER 105 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jwg n ARG 106 N -2.29 1.62 -4.14 4.33 1.74 -0.59 -4.99 116.66 112.34 1jwg n ARG 106 Ca 0.02 -1.62 -0.36 0.00 -0.77 0.00 0.00 57.85 55.12 1jwg n ARG 106 Cb 0.23 -1.27 -0.08 0.00 -1.02 0.00 0.00 32.46 30.32 1jwg n ARG 106 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1jwg s THR 107 N -1.04 4.88 0.63 0.55 2.01 -1.03 -5.07 115.64 116.57 1jwg s THR 107 Ca 0.20 -0.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.98 1jwg s THR 107 Cb 0.12 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1jwg s THR 107 CO 0.17 0.61 1.26 -0.94 -0.69 0.00 0.00 174.62 175.03 1jwg s SER 108 N -0.90 4.82 0.49 3.53 1.04 -1.26 -4.84 113.70 116.57 1jwg s SER 108 Ca 0.14 2.54 0.14 0.00 0.48 0.00 0.00 55.95 59.25 1jwg s SER 108 Cb -0.12 -2.61 1.16 0.00 0.10 0.00 0.00 66.02 64.56 1jwg s SER 108 CO 0.03 -1.86 2.12 -0.08 0.98 0.00 0.00 173.24 174.43 1jwg h GLU 109 N 0.67 0.15 0.16 4.02 4.57 -1.97 -1.21 114.58 120.97 1jwg h GLU 109 Ca -0.51 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1jwg h GLU 109 Cb 1.32 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1jwg h GLU 109 CO 0.54 0.10 -0.10 -0.22 -1.18 0.00 0.00 179.01 178.14 1jwg h LYS 110 N 0.15 -0.25 -0.18 1.92 3.64 -1.99 0.11 116.57 119.97 1jwg h LYS 110 Ca 0.05 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1jwg h LYS 110 Cb 0.03 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1jwg h LYS 110 CO -0.01 -0.17 0.06 0.28 -2.27 0.00 0.00 179.45 177.34 1jwg h VAL 111 N -0.26 1.18 0.05 2.00 2.07 -1.84 -1.94 116.25 117.51 1jwg h VAL 111 Ca -0.01 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1jwg h VAL 111 Cb 0.22 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1jwg h VAL 111 CO 0.01 0.18 -0.02 0.11 0.02 0.00 0.00 177.57 177.86 1jwg h LYS 112 N 0.11 -0.06 -0.02 1.57 1.57 -1.08 -2.24 116.57 116.42 1jwg h LYS 112 Ca 0.06 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1jwg h LYS 112 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1jwg h LYS 112 CO -0.00 -0.03 -0.19 -0.91 -0.57 0.00 0.00 179.45 177.76 1jwg h ASN 113 N -0.08 0.03 -0.42 0.86 -0.26 -0.75 -1.73 115.58 113.24 1jwg h ASN 113 Ca -0.01 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.67 1jwg h ASN 113 Cb 0.06 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 1jwg h ASN 113 CO 0.01 0.22 0.05 0.50 -1.06 0.00 0.00 177.43 177.15 1jwg h LYS 114 N 0.03 0.70 -0.37 0.81 3.64 -1.10 -1.32 116.57 118.95 1jwg h LYS 114 Ca 0.01 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1jwg h LYS 114 Cb 0.35 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1jwg h LYS 114 CO 0.03 0.75 0.23 0.82 -2.27 0.00 0.00 179.45 179.01 1jwg h ILE 115 N 0.55 1.12 -0.72 2.00 2.04 -0.80 -1.21 117.51 120.49 1jwg h ILE 115 Ca 0.12 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 1jwg h ILE 115 Cb 0.41 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1jwg h ILE 115 CO 0.01 0.12 0.21 -0.07 0.00 0.00 0.00 178.15 178.43 1jwg h LEU 116 N 0.49 1.05 -0.64 1.44 3.38 -1.08 -0.84 115.31 119.10 1jwg h LEU 116 Ca 0.13 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1jwg h LEU 116 Cb -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1jwg h LEU 116 CO -0.03 0.98 -0.48 -0.33 0.09 0.00 0.00 178.44 178.67 1jwg h GLU 117 N 1.07 0.48 -0.07 1.13 4.39 -1.20 -1.30 114.58 119.08 1jwg h GLU 117 Ca 0.23 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1jwg h GLU 117 Cb 0.32 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1jwg h GLU 117 CO -0.01 0.86 0.02 -0.07 -1.16 0.00 0.00 179.01 178.66 1jwg h LEU 118 N 0.39 0.11 -0.44 1.33 3.38 -0.83 -1.27 115.31 117.97 1jwg h LEU 118 Ca 0.02 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.83 1jwg h LEU 118 Cb 0.99 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1jwg h LEU 118 CO 0.09 0.30 0.15 -0.07 0.09 0.00 0.00 178.44 179.00 1jwg h LEU 119 N -0.09 0.16 -0.41 1.67 3.38 -1.08 -1.23 115.31 117.71 1jwg h LEU 119 Ca 0.02 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1jwg h LEU 119 Cb 0.23 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1jwg h LEU 119 CO -0.00 0.12 0.24 0.22 0.09 0.00 0.00 178.44 179.11 1jwg h TYR 120 N 0.32 0.45 -0.84 1.13 3.20 -1.10 -1.92 116.97 118.20 1jwg h TYR 120 Ca 0.21 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.14 1jwg h TYR 120 Cb 0.20 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 1jwg h TYR 120 CO -0.16 0.26 0.55 0.66 -1.64 0.00 0.00 178.16 177.84 1jwg h SER 121 N 0.48 0.88 0.35 -2.11 4.64 -0.54 -0.60 113.55 116.64 1jwg h SER 121 Ca 0.16 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 1jwg h SER 121 Cb 0.01 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1jwg h SER 121 CO -0.07 0.59 -0.46 -0.50 -0.87 0.00 0.00 176.83 175.51 1jwg h TRP 122 N 1.01 0.17 -0.26 4.77 6.55 -0.96 0.21 115.95 127.44 1jwg h TRP 122 Ca 0.35 -0.05 -0.06 0.00 0.95 0.00 0.00 58.89 60.07 1jwg h TRP 122 Cb 0.10 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.35 1jwg h TRP 122 CO -0.00 0.58 -0.11 1.79 -1.05 0.00 0.00 178.44 179.65 1jwg h THR 123 N 0.12 1.21 0.04 1.49 1.35 -0.32 0.29 112.91 117.09 1jwg h THR 123 Ca 0.01 -0.93 -0.06 0.00 -0.55 0.00 0.00 66.41 64.87 1jwg h THR 123 Cb 0.87 1.14 0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1jwg h THR 123 CO 0.07 0.30 -0.26 0.58 -0.25 0.00 0.00 175.52 175.96 1jwg h VAL 124 N 0.40 1.68 0.00 6.82 2.07 -1.21 -3.35 116.25 122.67 1jwg h VAL 124 Ca 0.08 -2.33 -0.09 0.00 0.82 0.00 0.00 66.70 65.19 1jwg h VAL 124 Cb 0.44 3.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 1jwg h VAL 124 CO 0.02 0.62 -0.41 1.23 0.02 0.00 0.00 177.57 179.06 1jwg h GLY 125 N -0.75 0.00 -5.80 2.17 0.00 -0.58 -3.38 103.07 94.73 1jwg h GLY 125 Ca -0.04 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.75 1jwg h GLY 125 CO 0.05 0.00 -0.96 1.04 0.00 0.00 0.00 176.54 176.67 1jwg n LEU 126 N -3.23 2.13 0.17 3.11 4.77 0.09 -4.94 117.00 119.10 1jwg n LEU 126 Ca 0.02 -5.22 0.17 0.00 -0.03 0.00 0.00 56.01 50.96 1jwg n LEU 126 Cb 0.68 0.19 0.79 0.00 -2.33 0.00 0.00 43.42 42.76 1jwg n LEU 126 CO 0.39 2.26 1.15 -0.65 -1.33 0.00 0.00 177.39 179.22 1jwg h PRO 127 N 3.22 0.00 0.00 3.23 0.10 -1.72 -0.57 132.00 136.26 1jwg h PRO 127 Ca 0.11 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 66.19 1jwg h PRO 127 Cb 0.79 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.88 1jwg h PRO 127 CO 0.62 0.00 -0.09 0.93 0.10 0.00 0.00 178.00 179.56 1jwg h GLU 128 N 0.00 0.00 -4.70 1.05 3.07 -1.92 -3.32 114.58 108.76 1jwg h GLU 128 Ca 0.12 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.26 1jwg h GLU 128 Cb 0.60 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.41 1jwg h GLU 128 CO -0.00 0.09 2.31 0.39 -1.40 0.00 0.00 179.01 180.41 1jwg n GLU 129 N -3.43 3.19 0.27 2.33 -0.58 -0.22 -4.78 120.64 117.42 1jwg n GLU 129 Ca -0.01 -3.21 0.12 0.00 -0.42 0.00 0.00 57.16 53.63 1jwg n GLU 129 Cb 0.25 -3.26 0.79 0.00 -0.57 0.00 0.00 31.44 28.65 1jwg n GLU 129 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1jwg h VAL 130 N 4.62 0.74 0.00 2.62 -1.51 -1.83 -1.75 116.25 119.14 1jwg h VAL 130 Ca 0.45 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.88 1jwg h VAL 130 Cb 0.76 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 1jwg h VAL 130 CO 1.58 0.00 -0.19 0.11 -1.23 0.00 0.00 177.57 177.84 1jwg h LYS 131 N 0.00 0.00 -0.33 5.19 1.57 -1.86 -1.51 116.57 119.63 1jwg h LYS 131 Ca 0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1jwg h LYS 131 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1jwg h LYS 131 CO -0.00 0.19 -0.15 0.82 -0.57 0.00 0.00 179.45 179.74 1jwg h ILE 132 N 0.00 1.29 -0.31 1.86 2.04 -1.55 0.07 117.51 120.91 1jwg h ILE 132 Ca -0.00 -1.25 -0.10 0.00 1.00 0.00 0.00 64.86 64.50 1jwg h ILE 132 Cb 0.83 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1jwg h ILE 132 CO 0.02 0.41 -0.24 0.00 0.00 0.00 0.00 178.15 178.35 1jwg h ALA 133 N 0.78 1.01 -0.17 1.87 0.00 -1.49 -1.09 119.26 120.16 1jwg h ALA 133 Ca 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1jwg h ALA 133 Cb 0.68 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1jwg h ALA 133 CO 0.05 0.59 0.02 1.49 0.00 0.00 0.00 179.25 181.40 1jwg h GLU 134 N 0.53 0.29 -0.41 0.00 4.81 -0.96 -0.20 114.58 118.64 1jwg h GLU 134 Ca 0.08 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1jwg h GLU 134 Cb 0.69 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 1jwg h GLU 134 CO 0.05 0.47 0.09 0.00 -0.73 0.00 0.00 179.01 178.89 1jwg h ALA 135 N 0.81 0.45 -0.44 2.92 0.00 -0.86 -0.68 119.26 121.46 1jwg h ALA 135 Ca 0.05 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1jwg h ALA 135 Cb 0.32 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1jwg h ALA 135 CO 0.00 -0.31 -0.01 -0.92 0.00 0.00 0.00 179.25 178.01 1jwg h TYR 136 N 0.22 0.77 -0.14 0.00 3.20 -1.05 -1.34 116.97 118.63 1jwg h TYR 136 Ca 0.20 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 1jwg h TYR 136 Cb 0.23 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1jwg h TYR 136 CO -0.20 0.73 -0.41 1.96 -1.64 0.00 0.00 178.16 178.60 1jwg h GLN 137 N 0.68 0.31 -0.30 1.82 1.08 -0.50 -1.79 115.11 116.41 1jwg h GLN 137 Ca 0.13 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1jwg h GLN 137 Cb 0.44 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1jwg h GLN 137 CO 0.02 0.67 0.12 1.98 -0.95 0.00 0.00 178.83 180.67 1jwg h MET 138 N 0.26 0.44 -0.57 1.46 4.05 -0.64 -1.16 114.93 118.76 1jwg h MET 138 Ca 0.02 -0.08 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1jwg h MET 138 Cb 0.84 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 1jwg h MET 138 CO 0.07 0.45 0.38 -0.07 0.23 0.00 0.00 176.91 177.97 1jwg h LEU 139 N 0.33 0.57 -0.12 3.39 3.38 -0.84 0.20 115.31 122.22 1jwg h LEU 139 Ca 0.10 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1jwg h LEU 139 Cb 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1jwg h LEU 139 CO -0.01 0.39 -0.35 0.11 0.09 0.00 0.00 178.44 178.67 1jwg h LYS 140 N 0.66 0.46 -0.79 1.13 1.57 -1.00 0.22 116.57 118.82 1jwg h LYS 140 Ca 0.23 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1jwg h LYS 140 Cb 0.09 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1jwg h LYS 140 CO -0.06 0.94 0.42 0.87 -0.57 0.00 0.00 179.45 181.05 1jwg h LYS 141 N 0.05 1.10 -0.00 3.15 1.57 -0.69 -1.34 116.57 120.41 1jwg h LYS 141 Ca -0.01 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1jwg h LYS 141 Cb 0.97 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1jwg h LYS 141 CO 0.08 0.82 0.00 1.04 -0.57 0.00 0.00 179.45 180.82 1jwg n GLN 142 N -4.34 1.02 -0.87 3.15 1.13 0.01 -4.89 117.38 112.59 1jwg n GLN 142 Ca 0.08 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1jwg n GLN 142 Cb 0.11 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1jwg n GLN 142 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jwg n GLY 143 N 1.00 0.64 0.30 1.08 0.00 -0.50 -4.95 105.19 102.75 1jwg n GLY 143 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 1jwg n GLY 143 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jwg h ILE 144 N 0.00 0.08 -3.07 -0.61 1.08 -0.79 -3.39 117.51 110.82 1jwg h ILE 144 Ca 0.00 -0.50 -0.57 0.00 -0.39 0.00 0.00 64.86 63.40 1jwg h ILE 144 Cb 0.00 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 33.83 1jwg h ILE 144 CO 0.00 0.02 1.12 -0.69 -0.69 0.00 0.00 178.15 177.91 1jwg s VAL 145 N -3.94 3.80 -2.00 1.67 1.01 -0.99 -4.99 120.40 114.96 1jwg s VAL 145 Ca -0.11 0.83 0.32 0.00 0.00 0.00 0.00 61.98 63.02 1jwg s VAL 145 Cb 0.01 -4.01 0.90 0.00 0.00 0.00 0.00 36.38 33.28 1jwg s VAL 145 CO 0.34 -0.60 2.21 0.29 0.00 0.00 0.00 175.10 177.34