#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1juq h LEU 9 N 0.00 0.77 -0.16 1.04 3.38 -1.96 -1.29 115.31 117.09 1juq h LEU 9 Ca 0.00 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1juq h LEU 9 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1juq h LEU 9 CO 0.00 0.50 0.05 -0.33 0.09 0.00 0.00 178.44 178.75 1juq h GLU 10 N 0.90 0.12 -0.24 1.13 3.07 -1.99 -1.44 114.58 116.13 1juq h GLU 10 Ca 0.34 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.24 1juq h GLU 10 Cb 0.14 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 1juq h GLU 10 CO -0.16 0.08 0.01 1.03 -1.40 0.00 0.00 179.01 178.56 1juq h SER 11 N 0.12 -0.08 -0.42 1.42 0.87 -1.79 0.26 113.55 113.93 1juq h SER 11 Ca 0.07 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1juq h SER 11 Cb 0.05 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1juq h SER 11 CO -0.08 -0.01 0.27 -0.50 -0.53 0.00 0.00 176.83 175.98 1juq h TRP 12 N 0.08 0.53 -0.28 2.24 4.06 -1.05 -2.68 115.95 118.86 1juq h TRP 12 Ca 0.11 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.05 1juq h TRP 12 Cb 0.14 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 1juq h TRP 12 CO -0.19 0.34 0.07 1.25 -3.56 0.00 0.00 178.44 176.35 1juq h LEU 13 N 0.56 0.42 -1.51 -4.49 5.85 -0.86 -0.49 115.31 114.79 1juq h LEU 13 Ca 0.15 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1juq h LEU 13 Cb -0.05 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1juq h LEU 13 CO -0.03 0.54 0.41 0.78 -0.34 0.00 0.00 178.44 179.80 1juq h ASN 14 N 0.28 0.52 0.24 1.25 2.35 -0.89 0.63 115.58 119.95 1juq h ASN 14 Ca 0.09 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.56 1juq h ASN 14 Cb 0.29 -0.11 0.02 0.00 0.05 0.00 0.00 38.32 38.57 1juq h ASN 14 CO 0.00 0.34 -1.16 0.11 -1.65 0.00 0.00 177.43 175.06 1juq h LYS 15 N 0.59 0.53 0.00 0.81 1.57 -1.27 -2.04 116.57 116.76 1juq h LYS 15 Ca 0.27 -0.69 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1juq h LYS 15 Cb 0.30 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1juq h LYS 15 CO -0.08 1.29 0.00 0.00 -0.57 0.00 0.00 179.45 180.09 1juq h ALA 16 N 0.44 1.00 0.00 3.86 0.00 0.05 -3.20 119.26 121.42 1juq h ALA 16 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1juq h ALA 16 Cb 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1juq h ALA 16 CO 0.21 0.00 -0.09 0.25 0.00 0.00 0.00 179.25 179.62 1juq n THR 17 N -2.49 0.73 -1.68 0.00 -2.24 0.10 -4.75 114.28 103.96 1juq n THR 17 Ca 0.02 -0.81 -0.46 0.00 -2.27 0.00 0.00 64.05 60.53 1juq n THR 17 Cb 0.27 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 1juq n THR 17 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1juq n ASN 18 N -0.47 3.46 0.17 3.42 4.05 -0.77 -4.37 115.26 120.75 1juq n ASN 18 Ca 0.03 1.01 0.11 0.00 0.45 0.00 0.00 54.58 56.19 1juq n ASN 18 Cb 0.48 -1.43 0.60 0.00 1.23 0.00 0.00 39.78 40.66 1juq n ASN 18 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1juq n PRO 19 N 5.29 0.15 0.19 1.20 -0.02 -1.26 -1.49 135.00 139.05 1juq n PRO 19 Ca 0.20 0.63 0.09 0.00 -2.02 0.00 0.00 63.50 62.39 1juq n PRO 19 Cb 0.31 -1.97 0.11 0.00 -0.02 0.00 0.00 33.50 31.93 1juq n PRO 19 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1juq h SER 20 N 0.00 0.00 -1.68 2.55 0.02 -1.98 -3.47 113.55 108.99 1juq h SER 20 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 1juq h SER 20 Cb 0.02 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.60 1juq h SER 20 CO 0.00 0.18 0.64 0.59 -1.14 0.00 0.00 176.83 177.10 1juq n ASN 21 N -3.13 2.03 0.13 3.07 3.02 -0.56 -4.81 115.26 115.02 1juq n ASN 21 Ca 0.03 1.10 0.13 0.00 -0.03 0.00 0.00 54.58 55.80 1juq n ASN 21 Cb 0.61 -1.19 0.46 0.00 -0.61 0.00 0.00 39.78 39.04 1juq n ASN 21 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1juq h ARG 22 N 5.68 0.00 -1.89 3.52 3.08 -1.90 -3.46 114.38 119.41 1juq h ARG 22 Ca -0.47 0.00 0.23 0.00 0.07 0.00 0.00 59.98 59.81 1juq h ARG 22 Cb 1.32 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.25 1juq h ARG 22 CO 0.85 0.00 0.65 1.14 -1.07 0.00 0.00 179.97 181.54 1juq s GLN 23 N -3.25 0.72 0.40 0.04 -2.07 -1.26 -5.14 119.66 109.10 1juq s GLN 23 Ca 0.07 -0.36 -0.26 0.00 -1.82 0.00 0.00 55.36 52.99 1juq s GLN 23 Cb 0.10 0.27 -0.10 0.00 -1.09 0.00 0.00 33.01 32.19 1juq s GLN 23 CO 0.49 -0.32 1.25 0.39 -1.32 0.00 0.00 175.29 175.77 1juq n GLU 24 N -0.37 1.92 -3.93 9.60 1.02 -1.26 -4.95 120.64 122.66 1juq n GLU 24 Ca -0.06 0.68 -0.31 0.00 -0.02 0.00 0.00 57.16 57.45 1juq n GLU 24 Cb 0.61 -2.34 -0.14 0.00 -0.02 0.00 0.00 31.44 29.56 1juq n GLU 24 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1juq s ASP 25 N -0.50 4.44 0.49 1.62 1.01 -1.26 -4.96 116.67 117.51 1juq s ASP 25 Ca 0.60 -2.93 0.33 0.00 0.71 0.00 0.00 52.55 51.25 1juq s ASP 25 Cb -0.53 -1.66 1.70 0.00 1.01 0.00 0.00 42.92 43.44 1juq s ASP 25 CO 0.59 -0.26 2.00 -0.50 0.21 0.00 0.00 175.17 177.22 1juq h TRP 26 N 6.63 0.00 -0.35 4.23 4.06 -1.96 -2.25 115.95 126.31 1juq h TRP 26 Ca -0.07 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.84 1juq h TRP 26 Cb 0.91 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.05 1juq h TRP 26 CO 0.53 0.00 0.08 1.49 -3.56 0.00 0.00 178.44 176.98 1juq h GLU 27 N 0.00 0.56 0.00 0.49 4.81 -1.99 -0.91 114.58 117.53 1juq h GLU 27 Ca 0.00 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 58.92 1juq h GLU 27 Cb 0.11 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1juq h GLU 27 CO 0.00 0.62 -0.82 1.88 -0.73 0.00 0.00 179.01 179.96 1juq h TYR 28 N 0.41 0.00 0.08 0.92 0.05 -1.78 -1.92 116.97 114.73 1juq h TYR 28 Ca 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 1juq h TYR 28 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1juq h TYR 28 CO 0.02 0.82 -0.04 0.82 -1.05 0.00 0.00 178.16 178.73 1juq h ILE 29 N 0.00 1.09 -0.73 -2.88 2.04 -1.27 -1.58 117.51 114.18 1juq h ILE 29 Ca -0.01 -0.62 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1juq h ILE 29 Cb 1.47 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 1juq h ILE 29 CO 0.11 0.15 0.20 0.40 0.00 0.00 0.00 178.15 179.01 1juq h ILE 30 N -0.39 1.26 -0.97 -0.67 1.08 -1.23 -2.52 117.51 114.08 1juq h ILE 30 Ca -0.01 -0.95 0.08 0.00 -0.39 0.00 0.00 64.86 63.59 1juq h ILE 30 Cb 0.33 0.49 -0.07 0.00 -3.07 0.00 0.00 36.82 34.50 1juq h ILE 30 CO 0.02 0.37 0.62 1.23 -0.69 0.00 0.00 178.15 179.70 1juq h GLY 31 N 1.10 1.50 1.03 5.37 0.00 -1.21 0.27 103.07 111.14 1juq h GLY 31 Ca 0.23 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1juq h GLY 31 CO -0.00 0.29 0.18 -2.75 0.00 0.00 0.00 176.54 174.25 1juq h PHE 32 N 1.10 1.07 -0.21 5.60 3.57 -0.93 -1.02 116.94 126.11 1juq h PHE 32 Ca 0.43 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 1juq h PHE 32 Cb 0.23 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1juq h PHE 32 CO -0.01 0.88 0.12 0.00 -2.23 0.00 0.00 178.31 177.07 1juq h ASP 34 N 0.25 0.18 -0.19 0.00 3.32 -0.83 -2.00 116.42 117.15 1juq h ASP 34 Ca 0.08 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1juq h ASP 34 Cb 0.04 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1juq h ASP 34 CO -0.01 0.35 -0.00 -0.61 -1.72 0.00 0.00 179.24 177.25 1juq h GLN 35 N 0.18 0.33 -0.54 3.56 5.75 -0.73 -2.28 115.11 121.38 1juq h GLN 35 Ca 0.04 -0.10 0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1juq h GLN 35 Cb 0.38 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.84 1juq h GLN 35 CO 0.02 0.54 0.18 0.82 -2.65 0.00 0.00 178.83 177.74 1juq h ILE 36 N 0.08 0.79 0.00 2.39 2.04 -1.02 -0.48 117.51 121.32 1juq h ILE 36 Ca 0.05 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1juq h ILE 36 Cb 0.39 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1juq h ILE 36 CO 0.01 0.07 -0.08 0.78 0.00 0.00 0.00 178.15 178.93 1juq h ASN 37 N 0.36 0.00 0.53 1.72 2.35 -1.19 -2.82 115.58 116.53 1juq h ASN 37 Ca 0.26 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.72 1juq h ASN 37 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1juq h ASN 37 CO -0.28 0.08 -1.47 0.11 -1.65 0.00 0.00 177.43 174.22 1juq h LYS 38 N 0.00 0.19 -6.46 0.81 1.57 -0.54 -3.47 116.57 108.66 1juq h LYS 38 Ca -0.00 -0.33 -0.53 0.00 -1.87 0.00 0.00 60.65 57.92 1juq h LYS 38 Cb 0.22 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1juq h LYS 38 CO 0.01 1.04 0.17 -1.21 -0.57 0.00 0.00 179.45 178.89 1juq s GLU 39 N -2.63 4.54 0.37 3.15 0.41 -0.53 -4.98 118.70 119.03 1juq s GLU 39 Ca -0.07 1.12 0.06 0.00 -0.41 0.00 0.00 54.97 55.67 1juq s GLU 39 Cb 0.07 -3.28 0.71 0.00 -1.78 0.00 0.00 34.13 29.85 1juq s GLU 39 CO 0.85 0.51 1.95 1.25 -0.49 0.00 0.00 175.26 179.33 1juq h LEU 40 N 4.62 0.48 -3.14 1.80 5.85 -1.92 -2.48 115.31 120.52 1juq h LEU 40 Ca -0.46 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1juq h LEU 40 Cb 1.21 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1juq h LEU 40 CO 0.67 0.47 -0.00 -0.62 -0.34 0.00 0.00 178.44 178.61 1juq n GLU 41 N -4.36 2.18 -0.11 1.25 -0.58 -1.26 -4.79 120.64 112.97 1juq n GLU 41 Ca 0.02 -2.73 -0.05 0.00 -0.42 0.00 0.00 57.16 53.98 1juq n GLU 41 Cb 0.17 -1.69 0.02 0.00 -0.57 0.00 0.00 31.44 29.36 1juq n GLU 41 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1juq h GLY 42 N 0.99 0.33 0.91 0.62 0.00 -1.64 -1.18 103.07 103.11 1juq h GLY 42 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1juq h GLY 42 CO 0.12 -0.11 -0.05 -2.55 0.00 0.00 0.00 176.54 173.95 1juq h PRO 43 N 0.06 -0.10 -0.36 4.80 0.11 -1.82 0.13 132.00 134.83 1juq h PRO 43 Ca 0.18 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.22 1juq h PRO 43 Cb 0.27 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1juq h PRO 43 CO -0.34 -0.06 -0.11 1.96 -0.21 0.00 0.00 178.00 179.24 1juq h GLN 44 N -0.10 0.61 -0.02 1.05 7.50 -1.88 -2.42 115.11 119.85 1juq h GLN 44 Ca 0.01 -0.18 -0.08 0.00 0.50 0.00 0.00 58.65 58.89 1juq h GLN 44 Cb 0.11 -0.06 0.01 0.00 0.05 0.00 0.00 27.48 27.58 1juq h GLN 44 CO -0.03 0.71 -0.31 0.82 -1.50 0.00 0.00 178.83 178.52 1juq h ILE 45 N 0.56 1.49 -0.37 2.54 2.04 -1.09 -3.27 117.51 119.41 1juq h ILE 45 Ca 0.10 -1.87 0.05 0.00 1.00 0.00 0.00 64.86 64.14 1juq h ILE 45 Cb 0.52 2.59 -0.05 0.00 -0.74 0.00 0.00 36.82 39.15 1juq h ILE 45 CO 0.03 0.52 0.10 0.00 0.00 0.00 0.00 178.15 178.80 1juq h ALA 46 N 0.32 0.42 -0.29 1.87 0.00 -0.68 -1.72 119.26 119.18 1juq h ALA 46 Ca -0.03 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1juq h ALA 46 Cb 1.02 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1juq h ALA 46 CO 0.06 -0.30 0.03 -0.39 0.00 0.00 0.00 179.25 178.65 1juq h VAL 47 N 0.24 1.16 -0.30 0.00 -1.51 -1.56 0.35 116.25 114.64 1juq h VAL 47 Ca 0.17 -0.61 -0.14 0.00 -1.23 0.00 0.00 66.70 64.89 1juq h VAL 47 Cb 0.18 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.25 1juq h VAL 47 CO -0.20 0.21 -0.37 0.03 -1.23 0.00 0.00 177.57 176.00 1juq h ARG 48 N 0.42 0.78 -0.45 5.19 3.08 -1.52 0.22 114.38 122.10 1juq h ARG 48 Ca 0.10 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 1juq h ARG 48 Cb 0.23 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1juq h ARG 48 CO 0.00 1.07 0.22 -0.07 -1.07 0.00 0.00 179.97 180.12 1juq h LEU 49 N 0.54 0.59 -0.36 3.04 4.07 -0.56 -2.66 115.31 119.97 1juq h LEU 49 Ca 0.04 -0.13 -0.08 0.00 0.08 0.00 0.00 57.88 57.79 1juq h LEU 49 Cb 0.96 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 1juq h LEU 49 CO 0.09 0.55 -0.09 -0.07 -1.08 0.00 0.00 178.44 177.84 1juq h LEU 50 N 0.59 0.70 -0.74 1.67 3.38 -0.24 -2.45 115.31 118.22 1juq h LEU 50 Ca 0.16 -0.37 0.15 0.00 0.09 0.00 0.00 57.88 57.91 1juq h LEU 50 Cb 0.12 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.58 1juq h LEU 50 CO -0.02 0.90 0.25 0.00 0.09 0.00 0.00 178.44 179.66 1juq h ALA 51 N 0.82 1.01 -0.12 1.53 0.00 -0.42 0.89 119.26 122.97 1juq h ALA 51 Ca 0.09 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1juq h ALA 51 Cb 0.60 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1juq h ALA 51 CO 0.04 -0.27 -0.00 1.25 0.00 0.00 0.00 179.25 180.26 1juq h HIS 52 N 0.36 0.24 -0.48 0.00 -0.00 -1.35 -3.00 115.15 110.92 1juq h HIS 52 Ca 0.41 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.72 1juq h HIS 52 Cb 0.66 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.99 1juq h HIS 52 CO -0.20 0.47 0.23 0.87 -0.00 0.00 0.00 177.93 179.29 1juq h LYS 53 N -0.05 0.67 0.00 5.26 1.79 -0.82 -2.22 116.57 121.20 1juq h LYS 53 Ca 0.04 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1juq h LYS 53 Cb 0.37 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1juq h LYS 53 CO 0.01 0.53 -0.17 0.82 -1.08 0.00 0.00 179.45 179.55 1juq h ILE 54 N 0.67 0.67 -0.58 1.86 2.04 -0.77 -2.50 117.51 118.90 1juq h ILE 54 Ca 0.17 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1juq h ILE 54 Cb 0.08 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1juq h ILE 54 CO -0.02 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.29 1juq n GLN 55 N -3.68 2.82 -1.96 2.37 6.02 -0.84 -4.77 117.38 117.34 1juq n GLN 55 Ca -0.01 -2.29 -0.40 0.00 -0.01 0.00 0.00 57.00 54.29 1juq n GLN 55 Cb 0.29 -1.62 -0.00 0.00 1.02 0.00 0.00 30.24 29.93 1juq n GLN 55 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1juq s SER 56 N -0.92 6.30 0.34 1.08 0.15 -0.94 -4.88 113.70 114.82 1juq s SER 56 Ca 0.42 2.79 0.27 0.00 0.70 0.00 0.00 55.95 60.12 1juq s SER 56 Cb 0.24 -2.65 0.94 0.00 -1.71 0.00 0.00 66.02 62.84 1juq s SER 56 CO 0.24 -0.87 1.78 -0.65 1.20 0.00 0.00 173.24 174.94 1juq h PRO 57 N 2.78 0.00 -5.19 5.44 0.11 -1.93 -3.39 132.00 129.82 1juq h PRO 57 Ca -0.50 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.94 1juq h PRO 57 Cb 1.25 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.19 1juq h PRO 57 CO 0.63 0.00 0.81 -0.65 -0.21 0.00 0.00 178.00 178.58 1juq s GLN 58 N -3.33 3.48 0.27 1.05 -0.21 -1.26 -4.94 119.66 114.73 1juq s GLN 58 Ca 0.06 -1.51 0.03 0.00 0.02 0.00 0.00 55.36 53.96 1juq s GLN 58 Cb 0.09 -4.79 0.70 0.00 1.00 0.00 0.00 33.01 30.01 1juq s GLN 58 CO 0.52 -1.81 1.35 -1.91 -2.12 0.00 0.00 175.29 171.32 1juq n GLU 59 N 6.97 -0.07 -0.11 2.91 2.13 -1.26 -0.04 120.64 131.17 1juq n GLU 59 Ca 0.18 1.28 -0.01 0.00 0.66 0.00 0.00 57.16 59.27 1juq n GLU 59 Cb 0.48 -2.05 0.25 0.00 0.27 0.00 0.00 31.44 30.39 1juq n GLU 59 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 1juq h TRP 60 N 0.00 0.78 -0.36 4.31 -0.00 -1.94 0.13 115.95 118.86 1juq h TRP 60 Ca 0.54 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.89 59.35 1juq h TRP 60 Cb 1.14 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 30.05 1juq h TRP 60 CO -0.40 0.60 0.07 1.49 -0.00 0.00 0.00 178.44 180.19 1juq h GLU 61 N 0.77 0.59 -0.36 2.65 4.81 -0.66 -1.63 114.58 120.75 1juq h GLU 61 Ca 0.18 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1juq h GLU 61 Cb 0.15 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1juq h GLU 61 CO -0.02 0.65 -0.05 0.00 -0.73 0.00 0.00 179.01 178.87 1juq h ALA 62 N 0.91 0.49 -0.53 2.92 0.00 -1.14 -1.77 119.26 120.15 1juq h ALA 62 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1juq h ALA 62 Cb 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1juq h ALA 62 CO 0.01 0.31 0.34 -0.07 0.00 0.00 0.00 179.25 179.83 1juq h LEU 63 N 0.47 0.62 -0.99 0.00 4.07 -0.70 -0.02 115.31 118.77 1juq h LEU 63 Ca 0.10 -0.04 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 1juq h LEU 63 Cb 0.53 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 1juq h LEU 63 CO 0.03 0.47 -0.13 1.56 -1.08 0.00 0.00 178.44 179.29 1juq h GLN 64 N 0.71 0.58 -0.71 1.13 4.20 -1.27 -1.82 115.11 117.95 1juq h GLN 64 Ca 0.19 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1juq h GLN 64 Cb -0.05 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1juq h GLN 64 CO -0.04 0.70 0.21 0.00 -0.67 0.00 0.00 178.83 179.03 1juq h ALA 65 N 1.33 1.04 -0.15 3.87 0.00 -0.50 -0.01 119.26 124.83 1juq h ALA 65 Ca 0.09 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1juq h ALA 65 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1juq h ALA 65 CO 0.03 0.65 -0.31 -0.07 0.00 0.00 0.00 179.25 179.54 1juq h LEU 66 N 1.05 0.31 -0.37 0.00 3.38 -0.59 0.06 115.31 119.14 1juq h LEU 66 Ca 0.23 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1juq h LEU 66 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1juq h LEU 66 CO -0.01 0.61 -0.06 0.74 0.09 0.00 0.00 178.44 179.81 1juq h THR 67 N 0.27 1.27 -0.45 0.22 2.02 -0.61 -1.21 112.91 114.41 1juq h THR 67 Ca 0.04 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 1juq h THR 67 Cb 0.69 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1juq h THR 67 CO 0.05 0.37 0.21 0.58 0.37 0.00 0.00 175.52 177.10 1juq h VAL 68 N 0.51 1.19 -0.42 3.16 2.07 -0.65 -0.96 116.25 121.15 1juq h VAL 68 Ca 0.10 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1juq h VAL 68 Cb 0.57 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1juq h VAL 68 CO 0.03 0.21 0.11 0.25 0.02 0.00 0.00 177.57 178.19 1juq h LEU 69 N 0.59 0.07 -0.87 2.57 5.85 -0.81 0.17 115.31 122.88 1juq h LEU 69 Ca 0.15 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1juq h LEU 69 Cb 0.14 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1juq h LEU 69 CO -0.02 0.07 0.53 -0.08 -0.34 0.00 0.00 178.44 178.60 1juq h GLU 70 N 0.25 1.17 -0.38 1.25 4.81 -0.93 -2.46 114.58 118.30 1juq h GLU 70 Ca 0.20 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 1juq h GLU 70 Cb 0.23 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1juq h GLU 70 CO -0.24 0.82 -0.18 0.00 -0.73 0.00 0.00 179.01 178.68 1juq h ALA 71 N 1.29 0.98 0.00 2.92 0.00 -0.11 -2.73 119.26 121.61 1juq h ALA 71 Ca 0.31 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1juq h ALA 71 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1juq h ALA 71 CO -0.06 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1juq n LYS 74 N 1.25 0.00 -0.00 0.00 4.76 -1.03 0.54 118.16 123.68 1juq n LYS 74 Ca 0.00 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.52 1juq n LYS 74 Cb 0.13 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.22 1juq n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1juq n ASN 75 N 0.00 0.95 -1.23 4.39 3.02 -0.03 -4.65 115.26 117.71 1juq n ASN 75 Ca 0.00 -0.56 0.08 0.00 -0.03 0.00 0.00 54.58 54.07 1juq n ASN 75 Cb 0.00 1.26 0.30 0.00 -0.61 0.00 0.00 39.78 40.73 1juq n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1juq n GLY 77 N 0.19 -0.12 0.35 0.00 0.00 -1.26 -3.10 105.19 101.26 1juq n GLY 77 Ca 0.23 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.54 1juq n GLY 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1juq h ARG 78 N 0.00 0.97 -0.34 1.61 2.43 -1.98 -1.81 114.38 115.26 1juq h ARG 78 Ca 0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1juq h ARG 78 Cb 0.00 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1juq h ARG 78 CO 0.00 0.64 0.17 0.07 -1.51 0.00 0.00 179.97 179.35 1juq h ARG 79 N 1.00 0.47 0.13 0.20 0.11 -2.00 0.98 114.38 115.27 1juq h ARG 79 Ca 0.31 -0.04 -0.26 0.00 0.10 0.00 0.00 59.98 60.08 1juq h ARG 79 Cb -0.01 -0.10 0.03 0.00 1.11 0.00 0.00 29.97 31.00 1juq h ARG 79 CO -0.08 0.36 -1.09 0.35 0.10 0.00 0.00 179.97 179.60 1juq h PHE 80 N 0.47 0.84 -0.86 4.08 3.57 -1.34 -3.23 116.94 120.47 1juq h PHE 80 Ca 0.12 -0.55 0.07 0.00 3.53 0.00 0.00 57.97 61.14 1juq h PHE 80 Cb 0.04 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.66 1juq h PHE 80 CO 0.00 1.41 0.56 0.45 -2.23 0.00 0.00 178.31 178.50 1juq h HIS 81 N 0.04 0.96 0.00 0.41 3.86 -0.73 -1.35 115.15 118.34 1juq h HIS 81 Ca -0.17 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.02 1juq h HIS 81 Cb 1.81 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.96 1juq h HIS 81 CO 0.14 0.49 -0.22 -0.91 0.86 0.00 0.00 177.93 178.30 1juq h ASN 82 N 0.94 0.00 0.58 2.45 -0.26 -0.87 0.15 115.58 118.56 1juq h ASN 82 Ca 0.38 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.83 1juq h ASN 82 Cb 0.26 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.51 1juq h ASN 82 CO -0.14 0.22 -1.36 -0.33 -1.06 0.00 0.00 177.43 174.76 1juq h GLU 83 N 0.00 0.24 -0.05 0.81 4.39 -1.28 -3.25 114.58 115.44 1juq h GLU 83 Ca -0.00 -0.41 -0.13 0.00 0.34 0.00 0.00 59.36 59.15 1juq h GLU 83 Cb 0.44 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1juq h GLU 83 CO 0.03 1.15 -0.57 0.28 -1.16 0.00 0.00 179.01 178.73 1juq h VAL 84 N 0.07 1.39 -0.00 3.13 2.07 -1.06 -3.12 116.25 118.72 1juq h VAL 84 Ca -0.17 -1.93 -0.00 0.00 0.82 0.00 0.00 66.70 65.42 1juq h VAL 84 Cb 1.98 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 33.74 1juq h VAL 84 CO 0.18 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.94 1juq n GLY 85 N 0.16 1.70 3.42 2.17 0.00 0.48 -4.23 105.19 108.88 1juq n GLY 85 Ca -0.02 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1juq n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1juq s LYS 86 N -0.60 2.24 0.59 1.61 1.02 -1.18 -4.52 119.74 118.90 1juq s LYS 86 Ca 0.00 -0.86 0.29 0.00 0.02 0.00 0.00 55.97 55.42 1juq s LYS 86 Cb 0.00 -2.21 1.63 0.00 -0.52 0.00 0.00 37.83 36.72 1juq s LYS 86 CO 0.00 0.58 2.07 0.74 -0.92 0.00 0.00 175.35 177.82 1juq h PHE 87 N 5.15 0.00 -0.99 3.18 0.04 -1.90 0.22 116.94 122.64 1juq h PHE 87 Ca -0.46 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.40 1juq h PHE 87 Cb 1.14 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.22 1juq h PHE 87 CO 0.48 0.00 0.64 -0.09 -0.60 0.00 0.00 178.31 178.73 1juq h ARG 88 N 0.00 1.06 0.03 1.51 2.43 -1.94 -0.19 114.38 117.28 1juq h ARG 88 Ca 0.10 -0.06 -0.34 0.00 -0.81 0.00 0.00 59.98 58.87 1juq h ARG 88 Cb 0.59 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 1juq h ARG 88 CO -0.00 0.70 -1.90 0.34 -1.51 0.00 0.00 179.97 177.60 1juq n PHE 89 N -4.54 0.74 -0.35 2.20 7.35 0.51 -4.37 117.46 119.00 1juq n PHE 89 Ca 0.17 0.24 0.13 0.00 -0.76 0.00 0.00 57.45 57.22 1juq n PHE 89 Cb 0.25 -1.08 0.32 0.00 0.35 0.00 0.00 39.48 39.32 1juq n PHE 89 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1juq h LEU 90 N -0.57 0.78 -1.58 -2.13 3.38 -0.67 -0.33 115.31 114.19 1juq h LEU 90 Ca -0.48 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1juq h LEU 90 Cb 1.65 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 1juq h LEU 90 CO -0.16 0.29 -0.01 0.78 0.09 0.00 0.00 178.44 179.44 1juq h ASN 91 N 0.77 0.23 -0.07 -0.43 2.35 -1.23 -1.47 115.58 115.72 1juq h ASN 91 Ca 0.57 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 56.22 1juq h ASN 91 Cb 0.88 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 1juq h ASN 91 CO -0.36 0.29 -0.15 -0.33 -1.65 0.00 0.00 177.43 175.23 1juq h GLU 92 N 0.25 0.42 -0.10 0.81 4.39 -1.25 -1.75 114.58 117.35 1juq h GLU 92 Ca 0.06 -0.12 -0.14 0.00 0.34 0.00 0.00 59.36 59.50 1juq h GLU 92 Cb 0.19 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1juq h GLU 92 CO 0.00 0.57 -0.49 -0.07 -1.16 0.00 0.00 179.01 177.86 1juq h LEU 93 N 0.39 0.60 -1.55 1.33 3.38 -1.25 -3.13 115.31 115.09 1juq h LEU 93 Ca 0.07 -0.65 0.09 0.00 0.09 0.00 0.00 57.88 57.48 1juq h LEU 93 Cb 0.50 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1juq h LEU 93 CO 0.03 1.15 0.42 0.40 0.09 0.00 0.00 178.44 180.53 1juq h ILE 94 N 0.09 0.94 0.00 1.22 2.04 -1.08 0.27 117.51 120.98 1juq h ILE 94 Ca -0.03 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1juq h ILE 94 Cb 1.14 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1juq h ILE 94 CO 0.10 0.10 -0.20 0.11 0.00 0.00 0.00 178.15 178.25 1juq h LYS 95 N 0.53 0.00 0.00 2.37 1.57 -1.27 0.81 116.57 120.57 1juq h LYS 95 Ca 0.29 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1juq h LYS 95 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1juq h LYS 95 CO -0.09 0.20 -0.17 0.28 -0.57 0.00 0.00 179.45 179.10 1juq h VAL 96 N 0.00 0.33 0.00 0.50 2.07 -0.42 -1.23 116.25 117.50 1juq h VAL 96 Ca -0.00 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1juq h VAL 96 Cb 0.50 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1juq h VAL 96 CO 0.03 0.17 -1.20 1.33 0.02 0.00 0.00 177.57 177.91 1juq n VAL 97 N -3.20 0.00 -2.65 2.57 0.24 -0.90 -4.09 118.33 110.30 1juq n VAL 97 Ca 0.02 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.34 61.71 1juq n VAL 97 Cb 0.51 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.27 1juq n VAL 97 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1juq s SER 98 N -2.69 7.29 0.23 -1.34 0.15 0.23 -4.52 113.70 113.05 1juq s SER 98 Ca -0.02 1.69 -0.07 0.00 0.70 0.00 0.00 55.95 58.25 1juq s SER 98 Cb 0.05 -2.57 0.22 0.00 -1.71 0.00 0.00 66.02 62.01 1juq s SER 98 CO 0.31 -0.34 1.87 -0.65 1.20 0.00 0.00 173.24 175.63 1juq h PRO 99 N 6.89 1.26 0.00 5.44 0.11 -1.90 0.95 132.00 144.75 1juq h PRO 99 Ca -0.39 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1juq h PRO 99 Cb 1.20 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1juq h PRO 99 CO 0.79 0.89 0.15 1.17 -0.21 0.00 0.00 178.00 180.79 1juq n LYS 100 N -4.36 0.09 0.00 1.05 4.81 -1.26 -4.21 118.16 114.28 1juq n LYS 100 Ca 0.10 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1juq n LYS 100 Cb 0.07 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.16 1juq n LYS 100 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1juq n TYR 101 N -2.02 0.00 0.81 5.64 4.02 -0.70 -4.99 117.16 119.91 1juq n TYR 101 Ca -0.01 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.96 1juq n TYR 101 Cb 0.18 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.40 1juq n TYR 101 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1juq n LEU 102 N 0.00 0.81 -0.36 7.72 4.77 -0.47 -4.69 117.00 124.79 1juq n LEU 102 Ca 0.00 -0.50 0.05 0.00 -0.03 0.00 0.00 56.01 55.53 1juq n LEU 102 Cb 0.00 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1juq n LEU 102 CO 0.00 0.20 0.64 0.61 -1.33 0.00 0.00 177.39 177.51 1juq n GLY 103 N 1.41 -1.72 0.29 -0.72 0.00 0.32 -0.65 105.19 104.12 1juq n GLY 103 Ca 0.03 1.06 0.17 0.00 0.00 0.00 0.00 46.02 47.29 1juq n GLY 103 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1juq h ASP 104 N 0.00 0.00 -0.48 1.61 3.32 -1.76 -2.70 116.42 116.41 1juq h ASP 104 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1juq h ASP 104 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1juq h ASP 104 CO -1.01 0.04 0.00 0.54 -1.72 0.00 0.00 179.24 177.09 1juq n ARG 105 N -3.36 2.73 -4.52 3.56 1.74 0.17 -4.96 116.66 112.03 1juq n ARG 105 Ca -0.02 -2.25 -0.34 0.00 -0.77 0.00 0.00 57.85 54.47 1juq n ARG 105 Cb 0.18 -1.39 -0.11 0.00 -1.02 0.00 0.00 32.46 30.12 1juq n ARG 105 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1juq s VAL 106 N -1.02 3.82 0.88 1.55 1.01 -1.02 -5.03 120.40 120.60 1juq s VAL 106 Ca 0.33 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1juq s VAL 106 Cb 0.17 -2.61 0.11 0.00 0.00 0.00 0.00 36.38 34.05 1juq s VAL 106 CO 0.23 0.56 1.04 -1.54 0.00 0.00 0.00 175.10 175.38 1juq n SER 107 N 2.76 0.16 0.18 3.32 3.41 -1.26 -4.84 113.62 117.35 1juq n SER 107 Ca -0.18 0.47 0.04 0.00 -0.26 0.00 0.00 58.87 58.94 1juq n SER 107 Cb 0.53 -1.44 0.29 0.00 -0.26 0.00 0.00 64.21 63.33 1juq n SER 107 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1juq h GLU 108 N -1.49 0.00 0.07 4.33 4.57 -1.98 -2.50 114.58 117.58 1juq h GLU 108 Ca -0.44 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1juq h GLU 108 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1juq h GLU 108 CO 0.42 0.43 -0.04 0.87 -1.18 0.00 0.00 179.01 179.51 1juq h LYS 109 N 0.00 -0.10 0.02 1.92 1.57 -1.98 0.22 116.57 118.23 1juq h LYS 109 Ca -0.00 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1juq h LYS 109 Cb 0.95 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1juq h LYS 109 CO 0.06 0.03 -0.01 0.28 -0.57 0.00 0.00 179.45 179.23 1juq h VAL 110 N -0.20 1.04 -0.78 0.50 2.07 -1.92 -0.20 116.25 116.76 1juq h VAL 110 Ca -0.01 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1juq h VAL 110 Cb 0.17 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1juq h VAL 110 CO 0.02 0.05 0.47 0.50 0.02 0.00 0.00 177.57 178.62 1juq h LYS 111 N -0.12 0.83 -0.35 1.57 3.64 -1.37 0.64 116.57 121.41 1juq h LYS 111 Ca -0.00 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1juq h LYS 111 Cb 0.11 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1juq h LYS 111 CO 0.01 0.55 -0.26 1.15 -2.27 0.00 0.00 179.45 178.62 1juq h THR 112 N 0.85 1.27 -0.45 1.00 2.02 -0.34 -1.48 112.91 115.78 1juq h THR 112 Ca 0.34 -1.37 -0.11 0.00 0.77 0.00 0.00 66.41 66.05 1juq h THR 112 Cb 0.18 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1juq h THR 112 CO -0.18 0.45 -0.13 0.50 0.37 0.00 0.00 175.52 176.53 1juq h LYS 113 N 0.61 0.88 -0.43 6.66 1.63 -0.33 -1.40 116.57 124.19 1juq h LYS 113 Ca 0.08 -0.35 -0.04 0.00 -0.85 0.00 0.00 60.65 59.49 1juq h LYS 113 Cb 0.76 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.33 1juq h LYS 113 CO 0.06 0.99 0.13 0.28 -3.45 0.00 0.00 179.45 177.46 1juq h VAL 114 N 0.72 1.22 -0.58 2.00 2.07 -0.70 -0.49 116.25 120.49 1juq h VAL 114 Ca 0.11 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1juq h VAL 114 Cb 0.68 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1juq h VAL 114 CO 0.05 0.27 0.18 0.40 0.02 0.00 0.00 177.57 178.49 1juq h ILE 115 N 0.55 1.24 -0.42 4.57 1.08 -1.24 -1.27 117.51 122.03 1juq h ILE 115 Ca 0.14 -0.81 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 1juq h ILE 115 Cb 0.28 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 1juq h ILE 115 CO -0.00 0.30 0.24 -0.08 -0.69 0.00 0.00 178.15 177.92 1juq h GLU 116 N 0.81 0.47 -0.51 2.37 4.81 -1.02 -1.44 114.58 120.07 1juq h GLU 116 Ca 0.19 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1juq h GLU 116 Cb 0.28 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1juq h GLU 116 CO -0.01 0.31 0.08 -0.07 -0.73 0.00 0.00 179.01 178.59 1juq h LEU 117 N 0.48 0.82 0.27 1.64 3.38 -0.88 -0.99 115.31 120.03 1juq h LEU 117 Ca 0.17 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1juq h LEU 117 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1juq h LEU 117 CO -0.09 0.87 -0.20 -0.07 0.09 0.00 0.00 178.44 179.05 1juq h LEU 118 N 0.73 -0.50 -0.96 1.67 4.07 -1.00 -0.93 115.31 118.39 1juq h LEU 118 Ca 0.16 0.04 -0.06 0.00 0.08 0.00 0.00 57.88 58.10 1juq h LEU 118 Cb 0.40 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1juq h LEU 118 CO 0.01 -0.30 0.11 0.22 -1.08 0.00 0.00 178.44 177.40 1juq h TYR 119 N -0.46 0.90 -0.63 1.13 3.20 -1.26 -2.20 116.97 117.65 1juq h TYR 119 Ca -0.02 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 1juq h TYR 119 Cb 0.40 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1juq h TYR 119 CO -0.12 0.77 0.32 1.03 -1.64 0.00 0.00 178.16 178.52 1juq h SER 120 N 0.83 0.78 0.21 -2.11 0.87 -0.86 -2.61 113.55 110.66 1juq h SER 120 Ca 0.18 -0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 1juq h SER 120 Cb 0.34 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1juq h SER 120 CO 0.00 0.65 -0.55 -0.50 -0.53 0.00 0.00 176.83 175.91 1juq h TRP 121 N 0.88 0.45 0.00 2.24 6.55 -0.57 -0.30 115.95 125.20 1juq h TRP 121 Ca 0.22 -0.16 0.00 0.00 0.95 0.00 0.00 58.89 59.90 1juq h TRP 121 Cb 0.06 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.28 1juq h TRP 121 CO 0.01 0.83 0.00 0.25 -1.05 0.00 0.00 178.44 178.47 1juq n THR 122 N -3.93 0.02 0.00 1.49 -2.24 -0.98 0.27 114.28 108.91 1juq n THR 122 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1juq n THR 122 Cb 0.59 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1juq n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1juq n ALA 124 N 0.48 0.00 -3.68 6.98 0.00 -0.12 -4.48 120.51 119.69 1juq n ALA 124 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1juq n ALA 124 Cb 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 1juq n ALA 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1juq s LEU 125 N 0.00 5.43 0.18 0.00 1.43 0.14 -4.93 118.68 120.94 1juq s LEU 125 Ca 0.00 -3.60 -0.15 0.00 -1.03 0.00 0.00 54.13 49.35 1juq s LEU 125 Cb 0.00 -1.87 0.16 0.00 0.03 0.00 0.00 46.19 44.51 1juq s LEU 125 CO 0.00 -0.20 1.67 -0.65 0.23 0.00 0.00 176.35 177.40 1juq h PRO 126 N 6.10 0.06 -0.11 1.29 0.11 -1.80 -2.55 132.00 135.11 1juq h PRO 126 Ca 0.13 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1juq h PRO 126 Cb 0.83 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1juq h PRO 126 CO 0.82 0.04 0.04 0.93 -0.21 0.00 0.00 178.00 179.62 1juq h GLU 127 N 0.06 0.14 -5.08 1.05 3.07 -1.95 -3.36 114.58 108.50 1juq h GLU 127 Ca 0.24 -0.01 -0.69 0.00 -0.50 0.00 0.00 59.36 58.40 1juq h GLU 127 Cb 0.36 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.18 1juq h GLU 127 CO -0.44 0.12 2.59 -1.91 -1.40 0.00 0.00 179.01 177.97 1juq n GLU 128 N -4.49 3.04 -0.23 2.33 4.07 -0.96 -4.79 120.64 119.60 1juq n GLU 128 Ca -0.01 -2.99 0.03 0.00 -0.06 0.00 0.00 57.16 54.13 1juq n GLU 128 Cb 0.11 -3.41 0.27 0.00 -0.06 0.00 0.00 31.44 28.35 1juq n GLU 128 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1juq h ALA 129 N 6.93 1.55 -0.33 4.31 0.00 -1.83 -2.71 119.26 127.17 1juq h ALA 129 Ca 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1juq h ALA 129 Cb 0.77 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1juq h ALA 129 CO 1.64 0.36 0.14 0.87 0.00 0.00 0.00 179.25 182.27 1juq h LYS 130 N 0.95 0.46 -0.59 0.00 1.57 -1.87 -2.07 116.57 115.02 1juq h LYS 130 Ca 0.32 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1juq h LYS 130 Cb 0.08 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1juq h LYS 130 CO -0.10 0.38 0.34 0.82 -0.57 0.00 0.00 179.45 180.32 1juq h ILE 131 N 0.47 1.18 -0.51 1.86 2.04 -1.73 0.18 117.51 121.00 1juq h ILE 131 Ca 0.12 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1juq h ILE 131 Cb 0.08 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1juq h ILE 131 CO -0.01 0.19 0.21 0.11 0.00 0.00 0.00 178.15 178.65 1juq h LYS 132 N 0.79 0.72 -0.09 2.37 1.57 -1.48 0.57 116.57 121.03 1juq h LYS 132 Ca 0.21 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1juq h LYS 132 Cb 0.01 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1juq h LYS 132 CO -0.04 0.58 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.97 1juq h ASP 133 N 0.71 0.16 -0.75 0.86 3.32 -0.62 0.22 116.42 120.33 1juq h ASP 133 Ca 0.17 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 56.91 1juq h ASP 133 Cb 0.12 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1juq h ASP 133 CO -0.02 0.47 0.48 0.00 -1.72 0.00 0.00 179.24 178.45 1juq h ALA 134 N 0.70 0.99 0.07 3.45 0.00 -0.31 -2.87 119.26 121.28 1juq h ALA 134 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1juq h ALA 134 Cb 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1juq h ALA 134 CO 0.01 0.29 -0.03 -0.92 0.00 0.00 0.00 179.25 178.59 1juq h TYR 135 N 0.95 -0.09 0.00 0.00 3.20 -0.76 -2.81 116.97 117.46 1juq h TYR 135 Ca 0.30 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1juq h TYR 135 Cb -0.00 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1juq h TYR 135 CO -0.03 0.23 0.00 0.72 -1.64 0.00 0.00 178.16 177.44 1juq n HIS 136 N -4.99 0.00 0.00 -3.82 8.25 0.76 -2.83 115.22 112.60 1juq n HIS 136 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1juq n HIS 136 Cb 0.19 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1juq n HIS 136 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1juq n LEU 138 N 0.91 0.00 -0.01 2.41 4.77 -1.06 -2.60 117.00 121.42 1juq n LEU 138 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1juq n LEU 138 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1juq n LEU 138 CO 0.00 0.00 0.48 0.11 -1.33 0.00 0.00 177.39 176.65 1juq h LYS 139 N 0.00 -0.07 0.00 3.23 1.57 -1.69 0.18 116.57 119.80 1juq h LYS 139 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1juq h LYS 139 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1juq h LYS 139 CO 0.00 0.53 0.19 0.07 -0.57 0.00 0.00 179.45 179.67 1juq h ARG 140 N -0.75 0.00 -0.07 3.15 0.11 -1.80 0.48 114.38 115.50 1juq h ARG 140 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1juq h ARG 140 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1juq h ARG 140 CO 0.01 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.12 1juq n GLN 141 N -2.97 2.33 -0.23 0.08 1.13 -1.19 -4.96 117.38 111.58 1juq n GLN 141 Ca -0.02 -1.94 0.00 0.00 -1.94 0.00 0.00 57.00 53.09 1juq n GLN 141 Cb 0.25 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.13 1juq n GLN 141 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1juq n GLY 142 N 1.36 2.21 0.37 1.08 0.00 0.17 -4.87 105.19 105.51 1juq n GLY 142 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1juq n GLY 142 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1juq h ILE 143 N 0.00 1.15 -3.75 -0.61 5.03 -1.19 -3.34 117.51 114.79 1juq h ILE 143 Ca 0.00 -0.42 -0.68 0.00 -0.12 0.00 0.00 64.86 63.65 1juq h ILE 143 Cb 0.00 -0.18 -0.36 0.00 -3.03 0.00 0.00 36.82 33.26 1juq h ILE 143 CO 0.00 0.22 -0.72 -0.69 -0.68 0.00 0.00 178.15 176.29 1juq s VAL 144 N -6.07 2.65 0.07 1.67 1.01 -0.85 -4.98 120.40 113.89 1juq s VAL 144 Ca -0.13 -1.72 -0.21 0.00 0.00 0.00 0.00 61.98 59.93 1juq s VAL 144 Cb 0.19 -2.65 -0.11 0.00 0.00 0.00 0.00 36.38 33.81 1juq s VAL 144 CO 0.81 -0.24 1.52 1.56 0.00 0.00 0.00 175.10 178.75 1juq h GLN 145 N 7.87 0.28 -3.58 2.72 1.08 -1.89 -3.37 115.11 118.22 1juq h GLN 145 Ca -0.16 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 56.89 1juq h GLN 145 Cb 1.05 -0.03 -0.12 0.00 -0.05 0.00 0.00 27.48 28.32 1juq h GLN 145 CO 0.53 0.47 -0.16 -1.54 -0.95 0.00 0.00 178.83 177.17 1juq s SER 146 N -5.74 -0.10 0.17 1.46 1.04 -1.26 -5.07 113.70 104.20 1juq s SER 146 Ca -0.14 -0.57 -0.33 0.00 0.48 0.00 0.00 55.95 55.39 1juq s SER 146 Cb 0.06 0.47 -0.13 0.00 0.10 0.00 0.00 66.02 66.52 1juq s SER 146 CO 0.72 -0.90 1.67 0.47 0.98 0.00 0.00 173.24 176.18 1juq n ASP 147 N -0.23 3.57 -4.90 7.02 8.00 -1.26 -4.97 116.55 123.79 1juq n ASP 147 Ca -0.12 1.06 -0.28 0.00 0.71 0.00 0.00 54.79 56.16 1juq n ASP 147 Cb 0.63 -1.50 -0.00 0.00 -0.02 0.00 0.00 41.12 40.23 1juq n ASP 147 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1juq s PRO 148 N 1.23 3.57 0.52 -0.24 0.04 -1.26 -5.06 135.00 133.79 1juq s PRO 148 Ca 0.78 0.31 -0.18 0.00 0.04 0.00 0.00 61.00 61.95 1juq s PRO 148 Cb -0.59 -2.33 -0.07 0.00 0.04 0.00 0.00 34.50 31.55 1juq s PRO 148 CO 0.36 -0.25 1.02 -1.25 0.04 0.00 0.00 177.00 176.91 1juq s PRO 149 N -4.74 3.77 0.05 0.56 0.04 -1.26 -5.05 135.00 128.37 1juq s PRO 149 Ca 0.49 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 1juq s PRO 149 Cb -0.10 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1juq s PRO 149 CO 0.45 -0.44 -0.02 0.96 0.04 0.00 0.00 177.00 178.00 1juq s ILE 150 N -2.31 0.21 0.52 0.56 -4.36 -1.26 -4.95 121.20 109.60 1juq s ILE 150 Ca 0.63 -1.74 -0.22 0.00 -0.26 0.00 0.00 60.65 59.06 1juq s ILE 150 Cb -0.13 -1.46 -0.06 0.00 1.25 0.00 0.00 42.46 42.06 1juq s ILE 150 CO 0.27 -0.96 1.32 -2.84 0.24 0.00 0.00 174.94 172.96 1juq s PRO 151 N -3.81 3.33 0.18 0.37 0.02 -1.26 -5.01 135.00 128.82 1juq s PRO 151 Ca 0.06 2.14 -0.02 0.00 0.02 0.00 0.00 61.00 63.20 1juq s PRO 151 Cb 0.07 -2.33 -0.04 0.00 0.02 0.00 0.00 34.50 32.23 1juq s PRO 151 CO -0.10 -1.01 0.14 0.14 -0.33 0.00 0.00 177.00 175.85 1juq s VAL 152 N -1.35 0.03 0.16 3.83 -7.23 -1.26 -5.09 120.40 109.50 1juq s VAL 152 Ca 0.69 -1.90 -0.23 0.00 -1.81 0.00 0.00 61.98 58.73 1juq s VAL 152 Cb -0.38 -2.32 0.08 0.00 0.56 0.00 0.00 36.38 34.32 1juq s VAL 152 CO 0.45 -0.14 1.05 1.51 -0.31 0.00 0.00 175.10 177.66 1juq s ASP 153 N -3.11 -0.02 0.58 4.85 1.47 -1.26 -5.04 116.67 114.14 1juq s ASP 153 Ca 0.33 -0.60 0.31 0.00 1.18 0.00 0.00 52.55 53.77 1juq s ASP 153 Cb 0.06 0.47 1.80 0.00 -0.34 0.00 0.00 42.92 44.91 1juq s ASP 153 CO 0.08 -0.92 2.22 0.03 0.68 0.00 0.00 175.17 177.26 1juq h ARG 154 N 2.00 0.00 -0.89 2.11 2.47 -2.07 -1.97 114.38 116.03 1juq h ARG 154 Ca -0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1juq h ARG 154 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1juq h ARG 154 CO 0.34 0.03 0.00 0.25 0.56 0.00 0.00 179.97 181.15 1juq n THR 155 N -3.67 0.07 -1.67 2.04 -2.24 -1.26 -5.31 114.28 102.23 1juq n THR 155 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1juq n THR 155 Cb 0.13 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1juq n THR 155 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68