#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1juq s SER 8 N 0.00 5.10 0.11 -1.84 1.04 -1.26 -4.85 113.70 112.00 1juq s SER 8 Ca 0.00 0.76 -0.33 0.00 0.48 0.00 0.00 55.95 56.86 1juq s SER 8 Cb 0.00 -1.50 -0.12 0.00 0.10 0.00 0.00 66.02 64.50 1juq s SER 8 CO 0.00 -1.47 1.57 -0.07 0.98 0.00 0.00 173.24 174.25 1juq h LEU 9 N -0.61 -1.42 -1.47 2.42 3.38 -1.96 0.11 115.31 115.75 1juq h LEU 9 Ca -0.45 0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.74 1juq h LEU 9 Cb 1.29 0.53 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 1juq h LEU 9 CO 0.63 -0.53 0.43 1.05 0.09 0.00 0.00 178.44 180.11 1juq h GLU 10 N -0.71 0.62 0.23 1.13 9.09 -1.98 0.13 114.58 123.09 1juq h GLU 10 Ca 0.01 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.39 1juq h GLU 10 Cb 0.72 -0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 27.67 1juq h GLU 10 CO -0.27 0.41 -0.22 1.03 0.05 0.00 0.00 179.01 180.01 1juq h SER 11 N 0.64 -0.59 -0.06 3.06 0.87 -1.52 0.26 113.55 116.21 1juq h SER 11 Ca 0.29 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1juq h SER 11 Cb 0.30 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1juq h SER 11 CO -0.09 -0.33 0.03 -0.50 -0.53 0.00 0.00 176.83 175.41 1juq h TRP 12 N -0.48 0.08 -0.31 2.24 4.06 0.19 -2.91 115.95 118.82 1juq h TRP 12 Ca -0.00 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1juq h TRP 12 Cb 0.44 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.56 1juq h TRP 12 CO -0.15 0.15 0.20 1.25 -3.56 0.00 0.00 178.44 176.32 1juq h LEU 13 N -0.01 0.36 -0.98 -4.49 5.85 -0.64 0.11 115.31 115.51 1juq h LEU 13 Ca 0.02 -0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.86 1juq h LEU 13 Cb 0.10 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.95 1juq h LEU 13 CO -0.00 0.28 0.60 0.78 -0.34 0.00 0.00 178.44 179.76 1juq h ASN 14 N 0.41 0.83 0.13 1.25 2.35 -0.46 0.63 115.58 120.71 1juq h ASN 14 Ca 0.11 0.07 -0.24 0.00 -0.55 0.00 0.00 56.30 55.69 1juq h ASN 14 Cb -0.02 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.27 1juq h ASN 14 CO -0.02 0.39 -0.96 0.11 -1.65 0.00 0.00 177.43 175.30 1juq h LYS 15 N 0.88 0.59 0.00 0.81 1.57 -1.26 -0.93 116.57 118.23 1juq h LYS 15 Ca 0.52 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1juq h LYS 15 Cb 0.63 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1juq h LYS 15 CO -0.31 1.22 0.00 0.00 -0.57 0.00 0.00 179.45 179.79 1juq n ALA 16 N -2.60 1.82 -0.58 3.86 0.00 0.36 -3.30 120.51 120.08 1juq n ALA 16 Ca -0.09 0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1juq n ALA 16 Cb 0.84 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.90 1juq n ALA 16 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1juq n THR 17 N -2.27 0.81 -1.68 0.00 -2.24 0.20 -4.72 114.28 104.38 1juq n THR 17 Ca 0.03 -0.86 -0.47 0.00 -2.27 0.00 0.00 64.05 60.48 1juq n THR 17 Cb 0.28 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.48 3.47 0.10 3.42 2.85 -0.36 -4.44 115.26 119.82 1juq n ASN 18 Ca 0.03 0.99 0.07 0.00 -0.11 0.00 0.00 54.58 55.56 1juq n ASN 18 Cb 0.41 -1.41 0.36 0.00 1.24 0.00 0.00 39.78 40.38 1juq n ASN 18 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1juq n PRO 19 N 5.86 0.09 0.02 1.20 -0.02 -1.26 -1.76 135.00 139.12 1juq n PRO 19 Ca 0.21 0.57 -0.07 0.00 -2.02 0.00 0.00 63.50 62.19 1juq n PRO 19 Cb 0.31 -1.77 -0.12 0.00 -0.02 0.00 0.00 33.50 31.90 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 -0.99 2.55 0.02 -1.98 -3.47 113.55 109.68 1juq h SER 20 Ca 0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 1juq h SER 20 Cb 0.02 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.65 1juq h SER 20 CO 0.00 0.93 -0.35 0.59 -1.14 0.00 0.00 176.83 176.86 1juq n ASN 21 N -3.13 -0.87 0.16 3.07 3.02 -0.72 -4.84 115.26 111.95 1juq n ASN 21 Ca -0.10 1.13 0.12 0.00 -0.03 0.00 0.00 54.58 55.69 1juq n ASN 21 Cb 0.98 -0.93 0.12 0.00 -0.61 0.00 0.00 39.78 39.34 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 1.58 0.00 -2.98 3.52 3.08 -1.92 -3.48 114.38 114.19 1juq h ARG 22 Ca -0.35 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.74 1juq h ARG 22 Cb 1.42 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.44 1juq h ARG 22 CO 0.59 0.00 0.26 1.14 -1.07 0.00 0.00 179.97 180.89 1juq s GLN 23 N -3.26 1.95 0.19 0.04 -2.07 -1.26 -5.13 119.66 110.11 1juq s GLN 23 Ca 0.04 -1.16 -0.31 0.00 -1.82 0.00 0.00 55.36 52.12 1juq s GLN 23 Cb 0.08 0.61 -0.09 0.00 -1.09 0.00 0.00 33.01 32.51 1juq s GLN 23 CO 0.71 -0.90 1.40 -1.21 -1.32 0.00 0.00 175.29 173.97 1juq s GLU 24 N -3.22 4.31 -0.88 9.60 2.02 -1.26 -4.96 118.70 124.32 1juq s GLU 24 Ca 0.13 2.17 -0.04 0.00 0.02 0.00 0.00 54.97 57.25 1juq s GLU 24 Cb -0.05 -3.18 0.22 0.00 0.10 0.00 0.00 34.13 31.22 1juq s GLU 24 CO 0.09 -0.39 0.77 -0.51 0.02 0.00 0.00 175.26 175.24 1juq s ASP 25 N 0.64 6.12 0.00 -0.19 1.01 -1.26 -4.89 116.67 118.11 1juq s ASP 25 Ca 0.61 -3.50 0.00 0.00 0.71 0.00 0.00 52.55 50.37 1juq s ASP 25 Cb -0.39 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1juq s ASP 25 CO 0.37 -0.25 0.73 0.79 0.21 0.00 0.00 175.17 177.02 1juq n TRP 26 N 2.68 0.00 -0.00 4.23 7.02 -1.26 -1.31 117.44 128.80 1juq n TRP 26 Ca 0.19 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.54 1juq n TRP 26 Cb 0.38 -0.26 -0.10 0.00 -2.42 0.00 0.00 31.31 28.92 1juq n TRP 26 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1juq h GLU 27 N 0.00 -0.02 0.00 -0.99 5.08 -2.00 -2.81 114.58 113.84 1juq h GLU 27 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1juq h GLU 27 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1juq h GLU 27 CO 0.00 0.43 -0.76 1.88 -1.00 0.00 0.00 179.01 179.56 1juq h TYR 28 N -0.47 0.00 0.04 4.33 0.05 -1.56 -2.81 116.97 116.56 1juq h TYR 28 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1juq h TYR 28 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1juq h TYR 28 CO 0.08 0.76 -0.02 0.82 -1.05 0.00 0.00 178.16 178.75 1juq h ILE 29 N 0.00 1.01 -0.55 -2.88 2.04 -1.53 0.64 117.51 116.24 1juq h ILE 29 Ca -0.01 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 1juq h ILE 29 Cb 1.55 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 1juq h ILE 29 CO 0.10 0.04 -0.03 0.40 0.00 0.00 0.00 178.15 178.66 1juq h ILE 30 N -0.12 1.26 -0.54 -0.67 1.08 -1.59 -2.45 117.51 114.48 1juq h ILE 30 Ca -0.01 -1.13 -0.01 0.00 -0.39 0.00 0.00 64.86 63.32 1juq h ILE 30 Cb 0.11 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 1juq h ILE 30 CO 0.01 0.40 0.28 1.23 -0.69 0.00 0.00 178.15 179.38 1juq h GLY 31 N 0.99 0.80 1.07 5.37 0.00 -1.20 -0.88 103.07 109.22 1juq h GLY 31 Ca 0.16 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 1juq h GLY 31 CO 0.03 0.34 -0.05 -2.75 0.00 0.00 0.00 176.54 174.11 1juq h PHE 32 N 0.76 1.13 0.09 5.60 3.57 -0.60 -1.92 116.94 125.57 1juq h PHE 32 Ca 0.19 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1juq h PHE 32 Cb 0.05 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.50 1juq h PHE 32 CO 0.01 1.03 -0.04 0.00 -2.23 0.00 0.00 178.31 177.07 1juq h ASP 34 N -0.29 0.22 0.31 0.00 3.32 -1.24 -1.68 116.42 117.07 1juq h ASP 34 Ca -0.01 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1juq h ASP 34 Cb 0.24 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1juq h ASP 34 CO 0.02 0.39 -0.15 -0.61 -1.72 0.00 0.00 179.24 177.17 1juq h GLN 35 N 0.23 -0.40 -0.92 3.56 5.75 -1.10 -1.76 115.11 120.46 1juq h GLN 35 Ca 0.05 0.03 0.17 0.00 -0.15 0.00 0.00 58.65 58.75 1juq h GLN 35 Cb 0.38 0.09 -0.08 0.00 1.07 0.00 0.00 27.48 28.95 1juq h GLN 35 CO 0.02 -0.25 0.59 0.82 -2.65 0.00 0.00 178.83 177.37 1juq h ILE 36 N -0.45 0.76 0.00 2.39 2.04 -0.68 0.30 117.51 121.87 1juq h ILE 36 Ca -0.04 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1juq h ILE 36 Cb 0.34 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1juq h ILE 36 CO 0.07 0.11 0.00 0.59 0.00 0.00 0.00 178.15 178.92 1juq n ASN 37 N -4.59 0.59 -0.11 1.72 3.02 -0.68 -3.45 115.26 111.75 1juq n ASN 37 Ca 0.19 0.62 -0.23 0.00 -0.03 0.00 0.00 54.58 55.13 1juq n ASN 37 Cb 0.56 -0.76 -0.10 0.00 -0.61 0.00 0.00 39.78 38.87 1juq n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1juq n LYS 38 N -2.12 0.57 -1.70 3.52 4.76 0.95 -4.96 118.16 119.18 1juq n LYS 38 Ca 0.03 0.47 -0.44 0.00 -2.87 0.00 0.00 58.31 55.50 1juq n LYS 38 Cb 0.26 -1.66 -0.02 0.00 -1.84 0.00 0.00 35.03 31.77 1juq n LYS 38 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1juq n GLU 39 N -4.39 2.29 0.25 1.97 -0.58 -0.58 -4.88 120.64 114.73 1juq n GLU 39 Ca -0.37 0.82 0.13 0.00 -0.42 0.00 0.00 57.16 57.31 1juq n GLU 39 Cb 0.72 -2.53 0.65 0.00 -0.57 0.00 0.00 31.44 29.71 1juq n GLU 39 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1juq h LEU 40 N 4.66 0.00 -3.19 -4.62 5.85 -1.93 -2.57 115.31 113.51 1juq h LEU 40 Ca -0.46 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.15 1juq h LEU 40 Cb 1.25 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.15 1juq h LEU 40 CO 0.79 0.14 -0.65 -0.62 -0.34 0.00 0.00 178.44 177.76 1juq n GLU 41 N -3.47 1.63 0.07 1.25 1.02 -1.26 -4.84 120.64 115.04 1juq n GLU 41 Ca -0.01 -3.23 -0.13 0.00 -0.02 0.00 0.00 57.16 53.78 1juq n GLU 41 Cb 0.31 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.20 1juq n GLU 41 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1juq h GLY 42 N 1.23 -0.08 0.46 0.62 0.00 -1.63 -2.07 103.07 101.59 1juq h GLY 42 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1juq h GLY 42 CO 0.13 -0.03 -0.40 -2.55 0.00 0.00 0.00 176.54 173.70 1juq h PRO 43 N -0.09 -0.80 -0.64 4.80 0.11 -1.84 0.28 132.00 133.81 1juq h PRO 43 Ca -0.01 0.05 0.13 0.00 0.11 0.00 0.00 66.00 66.29 1juq h PRO 43 Cb 0.07 0.18 -0.12 0.00 0.11 0.00 0.00 31.00 31.25 1juq h PRO 43 CO 0.01 -0.54 -0.13 1.96 -0.21 0.00 0.00 178.00 179.10 1juq h GLN 44 N -0.84 0.02 -0.36 1.05 7.50 -1.90 -1.38 115.11 119.21 1juq h GLN 44 Ca -0.06 -0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.01 1juq h GLN 44 Cb 0.71 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.22 1juq h GLN 44 CO -0.02 0.01 -0.07 0.82 -1.50 0.00 0.00 178.83 178.08 1juq h ILE 45 N 0.02 1.28 -0.38 2.54 2.04 -1.26 -3.20 117.51 118.54 1juq h ILE 45 Ca 0.32 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 1juq h ILE 45 Cb 0.49 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1juq h ILE 45 CO -0.64 0.37 0.23 0.00 0.00 0.00 0.00 178.15 178.12 1juq h ALA 46 N 0.83 0.49 -0.77 1.87 0.00 0.58 -1.73 119.26 120.53 1juq h ALA 46 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1juq h ALA 46 Cb 0.57 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1juq h ALA 46 CO 0.03 -0.02 0.49 -0.39 0.00 0.00 0.00 179.25 179.36 1juq h VAL 47 N 0.51 1.21 -0.02 0.00 -1.51 -1.38 0.15 116.25 115.21 1juq h VAL 47 Ca 0.14 -0.42 0.01 0.00 -1.23 0.00 0.00 66.70 65.20 1juq h VAL 47 Cb -0.00 0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 29.24 1juq h VAL 47 CO -0.03 0.21 -0.06 0.03 -1.23 0.00 0.00 177.57 176.50 1juq h ARG 48 N 1.05 -0.09 -0.41 5.19 3.08 -1.50 0.18 114.38 121.89 1juq h ARG 48 Ca 0.28 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.35 1juq h ARG 48 Cb -0.08 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1juq h ARG 48 CO -0.06 -0.06 0.26 -0.07 -1.07 0.00 0.00 179.97 178.97 1juq h LEU 49 N -0.09 0.43 -0.41 3.04 3.38 -0.90 -2.79 115.31 117.97 1juq h LEU 49 Ca 0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1juq h LEU 49 Cb 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1juq h LEU 49 CO -0.08 0.31 0.12 -0.07 0.09 0.00 0.00 178.44 178.81 1juq h LEU 50 N 0.52 0.60 -0.73 1.67 3.38 -0.43 -2.27 115.31 118.06 1juq h LEU 50 Ca 0.16 -0.21 0.12 0.00 0.09 0.00 0.00 57.88 58.04 1juq h LEU 50 Cb -0.02 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.48 1juq h LEU 50 CO -0.06 0.66 0.32 0.00 0.09 0.00 0.00 178.44 179.45 1juq h ALA 51 N 0.97 1.01 -0.20 1.53 0.00 -0.53 0.63 119.26 122.66 1juq h ALA 51 Ca 0.13 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1juq h ALA 51 Cb 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1juq h ALA 51 CO -0.00 -0.15 0.03 1.25 0.00 0.00 0.00 179.25 180.38 1juq h HIS 52 N 0.50 0.36 -0.69 0.00 -0.00 -1.26 -2.60 115.15 111.47 1juq h HIS 52 Ca 0.38 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.67 1juq h HIS 52 Cb 0.51 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.79 1juq h HIS 52 CO -0.14 0.48 0.31 0.87 -0.00 0.00 0.00 177.93 179.45 1juq h LYS 53 N 0.13 1.00 0.00 5.26 1.79 -0.81 -2.18 116.57 121.77 1juq h LYS 53 Ca 0.06 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1juq h LYS 53 Cb 0.32 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1juq h LYS 53 CO 0.00 0.81 -0.08 0.82 -1.08 0.00 0.00 179.45 179.93 1juq h ILE 54 N 0.96 0.95 -0.41 1.86 2.04 -0.85 -1.59 117.51 120.47 1juq h ILE 54 Ca 0.23 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1juq h ILE 54 Cb 0.15 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1juq h ILE 54 CO -0.03 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.20 1juq n GLN 55 N -4.29 2.04 -2.34 2.37 6.02 -0.83 -4.70 117.38 115.65 1juq n GLN 55 Ca -0.03 -1.51 -0.41 0.00 -0.01 0.00 0.00 57.00 55.05 1juq n GLN 55 Cb 0.16 -1.36 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 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 -0.96 7.08 0.44 1.08 0.15 -0.60 -4.91 113.70 115.98 1juq s SER 56 Ca 0.28 2.39 0.31 0.00 0.70 0.00 0.00 55.95 59.62 1juq s SER 56 Cb 0.15 -2.63 1.55 0.00 -1.71 0.00 0.00 66.02 63.38 1juq s SER 56 CO 0.18 -0.31 1.93 -0.65 1.20 0.00 0.00 173.24 175.58 1juq h PRO 57 N 4.04 0.00 -5.64 5.44 0.11 -1.92 -3.39 132.00 130.64 1juq h PRO 57 Ca -0.47 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.02 1juq h PRO 57 Cb 1.22 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 1juq h PRO 57 CO 0.68 0.00 0.48 -0.65 -0.21 0.00 0.00 178.00 178.30 1juq s GLN 58 N -3.70 3.26 0.25 1.05 -0.21 -1.26 -4.94 119.66 114.10 1juq s GLN 58 Ca -0.02 -0.47 -0.06 0.00 0.02 0.00 0.00 55.36 54.84 1juq s GLN 58 Cb 0.09 -4.09 0.45 0.00 1.00 0.00 0.00 33.01 30.46 1juq s GLN 58 CO 0.34 -1.50 1.65 1.49 -2.12 0.00 0.00 175.29 175.14 1juq h GLU 59 N 9.31 0.13 -0.27 2.91 4.81 -1.99 -0.33 114.58 129.15 1juq h GLU 59 Ca -0.27 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1juq h GLU 59 Cb 1.08 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1juq h GLU 59 CO 1.09 0.09 0.13 2.35 -0.73 0.00 0.00 179.01 181.93 1juq h TRP 60 N 0.14 0.36 -0.17 0.92 -0.00 -1.93 0.22 115.95 115.48 1juq h TRP 60 Ca 0.42 -0.00 -0.16 0.00 -0.00 0.00 0.00 58.89 59.14 1juq h TRP 60 Cb 0.74 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.78 1juq h TRP 60 CO -0.38 0.27 -0.53 1.49 -0.00 0.00 0.00 178.44 179.29 1juq h GLU 61 N 0.38 0.67 -0.42 2.65 4.81 -1.29 -2.08 114.58 119.30 1juq h GLU 61 Ca 0.10 -0.49 -0.14 0.00 -0.13 0.00 0.00 59.36 58.70 1juq h GLU 61 Cb 0.04 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1juq h GLU 61 CO -0.01 1.11 -0.29 0.00 -0.73 0.00 0.00 179.01 179.08 1juq h ALA 62 N 0.56 0.68 0.05 2.92 0.00 -0.90 -1.52 119.26 121.05 1juq h ALA 62 Ca -0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1juq h ALA 62 Cb 1.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1juq h ALA 62 CO 0.11 0.67 -0.03 -0.07 0.00 0.00 0.00 179.25 179.94 1juq h LEU 63 N 0.78 -0.06 -0.93 0.00 4.07 -0.57 -0.68 115.31 117.92 1juq h LEU 63 Ca 0.09 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1juq h LEU 63 Cb 0.87 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.58 1juq h LEU 63 CO 0.08 0.01 0.52 1.56 -1.08 0.00 0.00 178.44 179.53 1juq h GLN 64 N -0.12 1.27 -0.68 1.13 4.20 -1.37 -1.81 115.11 117.74 1juq h GLN 64 Ca -0.01 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1juq h GLN 64 Cb 0.10 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1juq h GLN 64 CO 0.01 0.91 0.42 0.00 -0.67 0.00 0.00 178.83 179.51 1juq h ALA 65 N 1.29 1.47 -0.44 3.87 0.00 -0.86 0.55 119.26 125.13 1juq h ALA 65 Ca 0.33 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1juq h ALA 65 Cb -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1juq h ALA 65 CO -0.06 0.47 -0.26 -0.07 0.00 0.00 0.00 179.25 179.34 1juq h LEU 66 N 0.93 0.97 -0.74 0.00 3.38 -0.38 -0.18 115.31 119.29 1juq h LEU 66 Ca 0.25 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1juq h LEU 66 Cb -0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1juq h LEU 66 CO -0.05 1.17 0.10 0.74 0.09 0.00 0.00 178.44 180.49 1juq h THR 67 N 0.80 1.26 -0.67 0.22 2.02 -0.70 -0.43 112.91 115.41 1juq h THR 67 Ca 0.10 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.18 1juq h THR 67 Cb 0.83 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1juq h THR 67 CO 0.07 0.38 0.13 0.58 0.37 0.00 0.00 175.52 177.06 1juq h VAL 68 N 1.00 1.26 -0.75 3.16 2.07 -0.62 -1.48 116.25 120.89 1juq h VAL 68 Ca 0.20 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1juq h VAL 68 Cb 0.44 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1juq h VAL 68 CO 0.01 0.38 0.35 0.25 0.02 0.00 0.00 177.57 178.58 1juq h LEU 69 N 1.01 0.99 -0.67 2.57 5.85 -0.57 -1.29 115.31 123.21 1juq h LEU 69 Ca 0.21 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1juq h LEU 69 Cb 0.41 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1juq h LEU 69 CO 0.01 0.85 0.22 -0.08 -0.34 0.00 0.00 178.44 179.10 1juq h GLU 70 N 1.08 1.03 -0.48 1.25 4.81 -0.61 -2.80 114.58 118.86 1juq h GLU 70 Ca 0.26 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1juq h GLU 70 Cb 0.13 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1juq h GLU 70 CO -0.03 0.89 -0.16 0.00 -0.73 0.00 0.00 179.01 178.98 1juq h ALA 71 N 1.09 0.81 0.00 2.92 0.00 -0.83 -3.11 119.26 120.14 1juq h ALA 71 Ca 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1juq h ALA 71 Cb 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1juq h ALA 71 CO -0.01 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1juq n LYS 74 N 1.70 0.00 -0.00 0.00 5.02 -1.18 -0.42 118.16 123.29 1juq n LYS 74 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1juq n LYS 74 Cb 0.10 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.04 1juq n LYS 74 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1juq n ASN 75 N 0.00 0.79 -0.74 4.39 3.02 0.14 -4.66 115.26 118.20 1juq n ASN 75 Ca 0.00 -0.68 0.08 0.00 -0.03 0.00 0.00 54.58 53.96 1juq n ASN 75 Cb 0.00 1.08 0.23 0.00 -0.61 0.00 0.00 39.78 40.48 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 -0.53 0.34 0.34 0.00 0.00 -1.26 -2.90 105.19 101.18 1juq n GLY 77 Ca 0.19 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.57 1juq n GLY 77 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1juq h ARG 78 N 0.00 0.68 0.00 1.61 -0.00 -1.98 -1.68 114.38 113.00 1juq h ARG 78 Ca 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.98 59.93 1juq h ARG 78 Cb 0.00 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.97 29.82 1juq h ARG 78 CO 0.00 0.45 -0.06 0.07 -0.00 0.00 0.00 179.97 180.42 1juq h ARG 79 N 0.70 0.00 0.14 0.08 0.11 -2.02 -0.76 114.38 112.63 1juq h ARG 79 Ca 0.27 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 60.10 1juq h ARG 79 Cb 0.17 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.26 1juq h ARG 79 CO -0.08 0.06 -1.20 0.35 0.10 0.00 0.00 179.97 179.21 1juq h PHE 80 N 0.00 0.52 -0.66 4.08 3.57 -1.19 -3.33 116.94 119.94 1juq h PHE 80 Ca -0.00 -0.38 0.12 0.00 3.53 0.00 0.00 57.97 61.23 1juq h PHE 80 Cb 0.12 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.76 1juq h PHE 80 CO 0.00 1.47 0.22 0.45 -2.23 0.00 0.00 178.31 178.22 1juq h HIS 81 N -0.29 0.38 -0.91 0.41 3.86 -0.84 -1.38 115.15 116.39 1juq h HIS 81 Ca -0.24 0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.12 1juq h HIS 81 Cb 1.75 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 30.07 1juq h HIS 81 CO 0.15 0.05 0.54 -0.91 0.86 0.00 0.00 177.93 178.62 1juq h ASN 82 N 0.38 0.77 -0.49 2.45 2.35 -1.28 0.87 115.58 120.63 1juq h ASN 82 Ca 0.35 0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 56.03 1juq h ASN 82 Cb 0.49 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1juq h ASN 82 CO -0.37 0.41 -0.17 -0.33 -1.65 0.00 0.00 177.43 175.32 1juq h GLU 83 N 0.86 0.98 0.00 0.81 4.39 -1.38 -2.89 114.58 117.35 1juq h GLU 83 Ca 0.45 -0.40 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 1juq h GLU 83 Cb 0.46 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1juq h GLU 83 CO -0.27 1.07 -0.48 0.28 -1.16 0.00 0.00 179.01 178.45 1juq h VAL 84 N 0.84 1.34 0.00 3.13 2.07 -0.74 -3.06 116.25 119.84 1juq h VAL 84 Ca 0.12 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1juq h VAL 84 Cb 0.74 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1juq h VAL 84 CO 0.06 0.47 0.00 0.61 0.02 0.00 0.00 177.57 178.73 1juq n GLY 85 N -0.14 1.32 3.47 2.17 0.00 0.22 -4.31 105.19 107.92 1juq n GLY 85 Ca -0.02 0.00 -0.31 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 -0.95 2.25 0.51 1.61 1.02 -1.16 -4.52 119.74 118.50 1juq s LYS 86 Ca 0.00 -0.87 0.20 0.00 0.02 0.00 0.00 55.97 55.32 1juq s LYS 86 Cb 0.00 -2.27 1.28 0.00 -0.52 0.00 0.00 37.83 36.32 1juq s LYS 86 CO 0.00 0.57 2.04 0.74 -0.92 0.00 0.00 175.35 177.78 1juq h PHE 87 N 4.78 0.09 -0.89 3.18 0.04 -1.90 0.18 116.94 122.40 1juq h PHE 87 Ca -0.47 0.00 0.20 0.00 2.80 0.00 0.00 57.97 60.50 1juq h PHE 87 Cb 1.15 -0.03 -0.12 0.00 2.20 0.00 0.00 35.95 39.16 1juq h PHE 87 CO 0.52 0.04 0.42 0.00 -0.60 0.00 0.00 178.31 178.70 1juq h ARG 88 N 0.08 0.46 0.02 1.51 3.08 -1.94 0.18 114.38 117.76 1juq h ARG 88 Ca 0.18 -0.03 -0.31 0.00 0.07 0.00 0.00 59.98 59.89 1juq h ARG 88 Cb 0.60 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 1juq h ARG 88 CO -0.02 0.31 -1.71 0.34 -1.07 0.00 0.00 179.97 177.82 1juq n PHE 89 N -4.98 0.78 -0.25 3.04 7.35 -0.02 -4.36 117.46 119.01 1juq n PHE 89 Ca 0.21 0.30 0.05 0.00 -0.76 0.00 0.00 57.45 57.25 1juq n PHE 89 Cb 0.60 -1.08 0.18 0.00 0.35 0.00 0.00 39.48 39.53 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 -0.81 0.24 -1.94 -2.13 3.38 -0.51 0.92 115.31 114.45 1juq h LEU 90 Ca -0.45 0.11 0.11 0.00 0.09 0.00 0.00 57.88 57.74 1juq h LEU 90 Cb 1.50 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 1juq h LEU 90 CO -0.22 0.09 0.31 0.78 0.09 0.00 0.00 178.44 179.49 1juq h ASN 91 N 0.42 0.06 0.33 -0.43 2.35 -0.87 0.10 115.58 117.55 1juq h ASN 91 Ca 0.40 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.08 1juq h ASN 91 Cb 0.61 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1juq h ASN 91 CO -0.41 0.04 -0.36 -0.33 -1.65 0.00 0.00 177.43 174.72 1juq h GLU 92 N 0.07 0.04 0.17 0.81 4.39 -1.01 -1.38 114.58 117.67 1juq h GLU 92 Ca 0.21 -0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.59 1juq h GLU 92 Cb 0.74 -0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.40 1juq h GLU 92 CO -0.02 0.39 -1.34 -0.07 -1.16 0.00 0.00 179.01 176.81 1juq h LEU 93 N 0.03 0.57 -0.35 1.33 3.38 -0.78 -3.24 115.31 116.25 1juq h LEU 93 Ca 0.00 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 1juq h LEU 93 Cb 0.65 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1juq h LEU 93 CO 0.05 1.48 0.20 0.40 0.09 0.00 0.00 178.44 180.66 1juq h ILE 94 N 0.10 1.13 -0.21 1.22 2.04 -1.13 -1.58 117.51 119.08 1juq h ILE 94 Ca -0.18 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1juq h ILE 94 Cb 2.04 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1juq h ILE 94 CO 0.23 0.13 0.27 0.11 0.00 0.00 0.00 178.15 178.89 1juq h LYS 95 N 0.45 0.00 0.01 2.37 1.57 -1.31 0.30 116.57 119.96 1juq h LYS 95 Ca 0.13 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.70 1juq h LYS 95 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1juq h LYS 95 CO -0.02 0.00 -0.91 0.28 -0.57 0.00 0.00 179.45 178.23 1juq h VAL 96 N 0.00 1.52 0.00 0.50 2.07 -1.31 -1.36 116.25 117.67 1juq h VAL 96 Ca 0.10 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.89 1juq h VAL 96 Cb 0.64 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1juq h VAL 96 CO -0.00 0.79 -1.42 1.33 0.02 0.00 0.00 177.57 178.29 1juq n VAL 97 N -3.62 0.00 -2.47 2.57 0.24 -0.47 -3.85 118.33 110.73 1juq n VAL 97 Ca -0.03 -0.29 -0.43 0.00 -2.04 0.00 0.00 64.34 61.54 1juq n VAL 97 Cb 0.83 0.41 -0.02 0.00 -1.47 0.00 0.00 33.84 33.59 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 -3.43 6.75 0.59 -1.34 0.15 0.92 -4.55 113.70 112.79 1juq s SER 98 Ca -0.02 1.20 0.29 0.00 0.70 0.00 0.00 55.95 58.11 1juq s SER 98 Cb 0.11 -2.54 1.60 0.00 -1.71 0.00 0.00 66.02 63.48 1juq s SER 98 CO 0.67 -1.02 2.04 -0.65 1.20 0.00 0.00 173.24 175.48 1juq h PRO 99 N 8.95 0.00 -0.81 5.44 0.11 -1.89 0.71 132.00 144.50 1juq h PRO 99 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1juq h PRO 99 Cb 1.09 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1juq h PRO 99 CO 1.03 0.00 0.41 -0.22 -0.21 0.00 0.00 178.00 179.01 1juq h LYS 100 N 0.00 1.15 0.00 1.05 3.64 -1.94 -3.33 116.57 117.14 1juq h LYS 100 Ca 0.12 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1juq h LYS 100 Cb 0.68 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1juq h LYS 100 CO -0.00 0.87 0.00 0.66 -2.27 0.00 0.00 179.45 178.71 1juq n TYR 101 N -4.37 0.00 1.18 1.91 4.02 -0.38 -4.89 117.16 114.63 1juq n TYR 101 Ca 0.08 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.09 1juq n TYR 101 Cb 0.12 0.00 0.33 0.00 -0.02 0.00 0.00 39.34 39.77 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 0.91 -0.27 7.72 4.77 -0.52 -4.53 117.00 125.08 1juq n LEU 102 Ca 0.00 -0.21 0.03 0.00 -0.03 0.00 0.00 56.01 55.80 1juq n LEU 102 Cb 0.00 -0.15 0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1juq n LEU 102 CO 0.00 0.18 0.72 1.23 -1.33 0.00 0.00 177.39 178.19 1juq h GLY 103 N 4.94 0.62 0.38 -0.72 0.00 0.39 -1.26 103.07 107.42 1juq h GLY 103 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1juq h GLY 103 CO 0.00 -0.30 0.00 1.22 0.00 0.00 0.00 176.54 177.46 1juq n ASP 104 N -5.50 0.00 0.00 0.19 8.00 -1.25 -3.42 116.55 114.57 1juq n ASP 104 Ca 0.12 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.57 1juq n ASP 104 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1juq n ASP 104 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1juq n ARG 105 N -0.69 0.98 -1.34 -1.24 1.74 -0.52 -5.06 116.66 110.52 1juq n ARG 105 Ca 0.06 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.79 1juq n ARG 105 Cb 0.03 -0.96 0.10 0.00 -1.02 0.00 0.00 32.46 30.61 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 -1.93 2.10 0.51 1.55 1.01 -0.92 -5.00 120.40 117.73 1juq s VAL 106 Ca 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 1juq s VAL 106 Cb 0.00 -2.64 -0.07 0.00 0.00 0.00 0.00 36.38 33.67 1juq s VAL 106 CO 0.00 -0.03 0.94 -0.94 0.00 0.00 0.00 175.10 175.08 1juq s SER 107 N -1.94 6.53 0.48 3.32 1.04 -1.26 -4.92 113.70 116.95 1juq s SER 107 Ca 0.76 1.44 0.14 0.00 0.48 0.00 0.00 55.95 58.77 1juq s SER 107 Cb -0.31 -2.46 1.12 0.00 0.10 0.00 0.00 66.02 64.47 1juq s SER 107 CO 0.47 -0.59 2.08 -0.33 0.98 0.00 0.00 173.24 175.85 1juq h GLU 108 N 0.77 0.09 0.51 4.02 4.39 -1.97 -1.13 114.58 121.25 1juq h GLU 108 Ca -0.46 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.20 1juq h GLU 108 Cb 1.19 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1juq h GLU 108 CO 0.62 0.12 -0.24 0.87 -1.16 0.00 0.00 179.01 179.21 1juq h LYS 109 N 0.09 -0.66 -0.45 2.33 1.57 -2.00 -0.99 116.57 116.45 1juq h LYS 109 Ca 0.02 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1juq h LYS 109 Cb 0.09 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1juq h LYS 109 CO 0.00 -0.43 0.26 0.28 -0.57 0.00 0.00 179.45 179.00 1juq h VAL 110 N -0.71 1.15 0.54 0.50 2.07 -1.85 -2.24 116.25 115.71 1juq h VAL 110 Ca -0.07 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1juq h VAL 110 Cb 0.54 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1juq h VAL 110 CO 0.11 0.16 -0.34 0.50 0.02 0.00 0.00 177.57 178.02 1juq h LYS 111 N 0.60 -0.81 -0.98 1.57 3.64 -1.15 -1.65 116.57 117.80 1juq h LYS 111 Ca 0.16 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1juq h LYS 111 Cb 0.02 0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 1juq h LYS 111 CO -0.03 -0.54 0.65 1.79 -2.27 0.00 0.00 179.45 179.05 1juq h THR 112 N -0.84 1.24 -0.19 1.00 1.35 -1.18 -1.80 112.91 112.48 1juq h THR 112 Ca -0.06 -0.45 0.04 0.00 -0.55 0.00 0.00 66.41 65.38 1juq h THR 112 Cb 0.68 -0.19 -0.04 0.00 -1.73 0.00 0.00 68.15 66.87 1juq h THR 112 CO 0.06 0.24 -0.05 0.50 -0.25 0.00 0.00 175.52 176.02 1juq h LYS 113 N 1.32 -0.00 -0.55 4.72 1.63 -1.24 0.14 116.57 122.58 1juq h LYS 113 Ca 0.36 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.22 1juq h LYS 113 Cb -0.13 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.45 1juq h LYS 113 CO -0.08 -0.00 0.26 0.28 -3.45 0.00 0.00 179.45 176.45 1juq h VAL 114 N -0.00 0.90 -0.46 2.00 2.07 -0.78 -1.33 116.25 118.65 1juq h VAL 114 Ca 0.09 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 1juq h VAL 114 Cb 0.15 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1juq h VAL 114 CO -0.20 0.09 0.02 0.40 0.02 0.00 0.00 177.57 177.90 1juq h ILE 115 N 0.49 1.26 -0.56 4.57 2.04 -0.77 -1.35 117.51 123.18 1juq h ILE 115 Ca 0.25 -1.00 0.08 0.00 1.00 0.00 0.00 64.86 65.19 1juq h ILE 115 Cb 0.21 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 1juq h ILE 115 CO -0.20 0.35 0.21 -0.08 0.00 0.00 0.00 178.15 178.42 1juq h GLU 116 N 0.64 0.38 -0.13 2.37 4.81 -0.26 0.14 114.58 122.53 1juq h GLU 116 Ca 0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1juq h GLU 116 Cb 0.46 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1juq h GLU 116 CO 0.02 0.25 0.03 -0.07 -0.73 0.00 0.00 179.01 178.51 1juq h LEU 117 N 0.39 0.20 -0.05 1.64 3.38 -1.01 0.62 115.31 120.47 1juq h LEU 117 Ca 0.28 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1juq h LEU 117 Cb 0.32 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1juq h LEU 117 CO -0.28 0.38 -0.03 -0.07 0.09 0.00 0.00 178.44 178.53 1juq h LEU 118 N 0.00 -0.09 -0.55 1.67 3.38 -0.86 0.16 115.31 119.02 1juq h LEU 118 Ca 0.04 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1juq h LEU 118 Cb 0.26 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1juq h LEU 118 CO 0.00 -0.04 0.26 0.22 0.09 0.00 0.00 178.44 178.98 1juq h TYR 119 N -0.03 0.48 -0.72 1.13 3.20 -0.66 -2.00 116.97 118.37 1juq h TYR 119 Ca 0.03 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.97 1juq h TYR 119 Cb 0.07 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 1juq h TYR 119 CO -0.13 0.21 0.43 0.77 -1.64 0.00 0.00 178.16 177.81 1juq h SER 120 N 0.50 0.68 0.43 -2.11 0.02 -0.02 -2.76 113.55 110.30 1juq h SER 120 Ca 0.25 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.11 1juq h SER 120 Cb 0.19 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1juq h SER 120 CO -0.19 0.45 -0.48 -0.50 -1.14 0.00 0.00 176.83 174.97 1juq h TRP 121 N 0.82 0.07 0.00 3.45 6.55 -0.04 -1.41 115.95 125.39 1juq h TRP 121 Ca 0.31 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.13 1juq h TRP 121 Cb 0.11 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.40 1juq h TRP 121 CO -0.05 0.53 0.00 0.25 -1.05 0.00 0.00 178.44 178.11 1juq n THR 122 N -3.97 0.05 0.00 1.49 -2.24 -0.83 0.36 114.28 109.14 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 0.51 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.47 0.00 -3.03 6.98 0.00 -0.53 -3.99 120.51 120.41 1juq n ALA 124 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1juq n ALA 124 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 1juq n ALA 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1juq n LEU 125 N 0.00 4.55 0.24 0.00 4.32 0.16 -4.85 117.00 121.41 1juq n LEU 125 Ca 0.00 -5.61 0.18 0.00 -0.02 0.00 0.00 56.01 50.56 1juq n LEU 125 Cb 0.00 -0.63 0.84 0.00 -1.62 0.00 0.00 43.42 42.01 1juq n LEU 125 CO 0.00 2.26 1.15 -0.65 -1.22 0.00 0.00 177.39 178.94 1juq h PRO 126 N 3.36 0.00 -0.31 3.23 0.11 -1.74 0.74 132.00 137.38 1juq h PRO 126 Ca 0.17 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 1juq h PRO 126 Cb 0.53 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 1juq h PRO 126 CO 0.86 0.00 -0.18 1.05 -0.21 0.00 0.00 178.00 179.52 1juq h GLU 127 N 0.00 0.56 -5.65 1.05 4.11 -1.91 -3.38 114.58 109.37 1juq h GLU 127 Ca 0.08 -0.19 -0.68 0.00 0.07 0.00 0.00 59.36 58.64 1juq h GLU 127 Cb 0.66 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.76 1juq h GLU 127 CO -0.00 0.71 1.91 -1.21 0.07 0.00 0.00 179.01 180.49 1juq s GLU 128 N -4.65 3.95 0.29 1.06 0.41 0.25 -4.84 118.70 115.18 1juq s GLU 128 Ca -0.08 -2.00 0.02 0.00 -0.41 0.00 0.00 54.97 52.51 1juq s GLU 128 Cb 0.14 -5.40 0.58 0.00 -1.78 0.00 0.00 34.13 27.67 1juq s GLU 128 CO 0.79 -2.14 1.84 0.00 -0.49 0.00 0.00 175.26 175.27 1juq h ALA 129 N 7.80 1.56 -0.13 5.21 0.00 -1.82 -1.37 119.26 130.51 1juq h ALA 129 Ca 0.38 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1juq h ALA 129 Cb 0.89 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1juq h ALA 129 CO 1.40 0.20 0.09 0.87 0.00 0.00 0.00 179.25 181.82 1juq h LYS 130 N 0.97 0.07 -0.54 0.00 1.57 -1.88 -0.74 116.57 116.01 1juq h LYS 130 Ca 0.49 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.15 1juq h LYS 130 Cb 0.50 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1juq h LYS 130 CO -0.25 0.04 -0.08 0.82 -0.57 0.00 0.00 179.45 179.41 1juq h ILE 131 N 0.07 1.27 -0.26 1.86 2.04 -1.48 -1.19 117.51 119.82 1juq h ILE 131 Ca 0.06 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 1juq h ILE 131 Cb 0.15 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1juq h ILE 131 CO -0.01 0.44 0.00 0.11 0.00 0.00 0.00 178.15 178.69 1juq h LYS 132 N 0.89 0.46 -0.83 2.37 1.57 -1.16 -1.70 116.57 118.16 1juq h LYS 132 Ca 0.14 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1juq h LYS 132 Cb 0.65 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 1juq h LYS 132 CO 0.04 0.62 0.55 -0.44 -0.57 0.00 0.00 179.45 179.65 1juq h ASP 133 N 0.24 0.93 0.15 0.86 3.32 -1.15 0.26 116.42 121.03 1juq h ASP 133 Ca 0.07 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1juq h ASP 133 Cb 0.41 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1juq h ASP 133 CO 0.01 0.66 -0.07 0.00 -1.72 0.00 0.00 179.24 178.12 1juq h ALA 134 N 1.32 -0.20 -0.37 3.45 0.00 -1.04 -3.00 119.26 119.42 1juq h ALA 134 Ca 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1juq h ALA 134 Cb -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1juq h ALA 134 CO -0.09 -0.61 0.19 -0.92 0.00 0.00 0.00 179.25 177.82 1juq h TYR 135 N -0.20 0.52 0.00 0.00 3.20 -0.89 -2.78 116.97 116.82 1juq h TYR 135 Ca -0.02 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1juq h TYR 135 Cb 0.16 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1juq h TYR 135 CO -0.07 0.43 0.00 0.72 -1.64 0.00 0.00 178.16 177.61 1juq n HIS 136 N -4.73 0.00 0.00 -3.82 8.25 0.89 -2.76 115.22 113.05 1juq n HIS 136 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1juq n HIS 136 Cb 0.10 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 0.83 0.00 -0.06 2.41 4.77 -1.05 -1.28 117.00 122.62 1juq n LEU 138 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1juq n LEU 138 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1juq n LEU 138 CO 0.00 0.00 0.21 0.11 -1.33 0.00 0.00 177.39 176.38 1juq h LYS 139 N 0.00 0.00 -0.18 3.23 1.57 -1.72 0.52 116.57 119.99 1juq h LYS 139 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1juq h LYS 139 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1juq h LYS 139 CO 0.00 0.56 0.46 -0.09 -0.57 0.00 0.00 179.45 179.81 1juq h ARG 140 N -1.00 0.00 -0.51 3.15 2.43 -1.48 0.78 114.38 117.74 1juq h ARG 140 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1juq h ARG 140 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1juq h ARG 140 CO -0.00 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 179.50 1juq n GLN 141 N -3.14 2.57 -0.91 0.20 1.13 -1.23 -4.96 117.38 111.04 1juq n GLN 141 Ca 0.02 -2.40 0.00 0.00 -1.94 0.00 0.00 57.00 52.68 1juq n GLN 141 Cb 0.56 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.39 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 1.49 0.47 0.26 1.08 0.00 0.27 -4.86 105.19 103.89 1juq n GLY 142 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 1.27 -3.40 -0.61 2.04 -0.19 -3.39 117.51 113.23 1juq h ILE 143 Ca 0.00 -1.34 -0.67 0.00 1.00 0.00 0.00 64.86 63.85 1juq h ILE 143 Cb 0.19 1.26 -0.35 0.00 -0.74 0.00 0.00 36.82 37.18 1juq h ILE 143 CO 0.00 0.44 -0.82 -0.69 0.00 0.00 0.00 178.15 177.08 1juq s VAL 144 N -4.56 2.26 0.27 1.67 1.01 -0.57 -4.97 120.40 115.49 1juq s VAL 144 Ca -0.09 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 60.80 1juq s VAL 144 Cb 0.13 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1juq s VAL 144 CO 0.83 0.30 1.61 1.56 0.00 0.00 0.00 175.10 179.40 1juq h GLN 145 N 7.90 0.10 -2.15 2.72 4.20 -1.90 -3.39 115.11 122.59 1juq h GLN 145 Ca -0.35 -0.07 0.16 0.00 0.06 0.00 0.00 58.65 58.45 1juq h GLN 145 Cb 1.10 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.76 1juq h GLN 145 CO 0.57 0.66 0.55 -1.54 -0.67 0.00 0.00 178.83 178.40 1juq s SER 146 N -6.87 -0.26 0.14 1.46 1.04 -1.26 -5.12 113.70 102.82 1juq s SER 146 Ca -0.03 -0.13 -0.32 0.00 0.48 0.00 0.00 55.95 55.95 1juq s SER 146 Cb 0.13 0.37 -0.12 0.00 0.10 0.00 0.00 66.02 66.50 1juq s SER 146 CO 0.77 -0.64 1.75 0.47 0.98 0.00 0.00 173.24 176.57 1juq n ASP 147 N -0.32 3.78 -4.87 7.02 8.00 -1.26 -4.96 116.55 123.95 1juq n ASP 147 Ca -0.07 1.03 -0.31 0.00 0.71 0.00 0.00 54.79 56.15 1juq n ASP 147 Cb 0.61 -1.52 -0.01 0.00 -0.02 0.00 0.00 41.12 40.19 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 1.97 3.70 0.48 -0.24 0.04 -1.26 -5.05 135.00 134.65 1juq s PRO 148 Ca 0.80 0.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.32 1juq s PRO 148 Cb -0.55 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 31.72 1juq s PRO 148 CO 0.37 -0.37 1.00 -1.25 0.04 0.00 0.00 177.00 176.79 1juq s PRO 149 N -4.65 3.94 0.11 0.56 0.04 -1.26 -5.06 135.00 128.67 1juq s PRO 149 Ca 0.54 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.79 1juq s PRO 149 Cb -0.11 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1juq s PRO 149 CO 0.44 -0.29 -0.09 0.96 0.04 0.00 0.00 177.00 178.06 1juq s ILE 150 N -2.22 0.88 0.47 0.56 -4.36 -1.26 -5.02 121.20 110.25 1juq s ILE 150 Ca 0.63 -1.82 -0.25 0.00 -0.26 0.00 0.00 60.65 58.95 1juq s ILE 150 Cb -0.12 -1.56 -0.08 0.00 1.25 0.00 0.00 42.46 41.95 1juq s ILE 150 CO 0.21 -0.72 1.41 -2.65 0.24 0.00 0.00 174.94 173.44 1juq n PRO 151 N 0.20 2.12 -2.14 0.37 -0.02 -1.26 -4.90 135.00 129.37 1juq n PRO 151 Ca -0.13 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 1juq n PRO 151 Cb 0.59 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1juq n PRO 151 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1juq s VAL 152 N -1.21 3.49 -0.30 -1.45 1.01 -1.26 -4.96 120.40 115.71 1juq s VAL 152 Ca 0.63 0.93 0.01 0.00 0.00 0.00 0.00 61.98 63.55 1juq s VAL 152 Cb -0.44 -3.60 0.15 0.00 0.00 0.00 0.00 36.38 32.48 1juq s VAL 152 CO 0.56 0.01 0.34 -0.62 0.00 0.00 0.00 175.10 175.38 1juq s ASP 153 N 1.90 1.26 0.00 3.32 -1.08 -1.26 -5.03 116.67 115.78 1juq s ASP 153 Ca 0.66 -0.78 0.05 0.00 -0.52 0.00 0.00 52.55 51.96 1juq s ASP 153 Cb -0.34 0.67 0.23 0.00 -1.46 0.00 0.00 42.92 42.02 1juq s ASP 153 CO 0.28 -0.36 1.17 0.54 0.52 0.00 0.00 175.17 177.32 1juq n ARG 154 N 5.17 0.00 0.00 4.34 1.74 -1.26 -1.72 116.66 124.93 1juq n ARG 154 Ca 0.01 0.40 0.14 0.00 -0.77 0.00 0.00 57.85 57.63 1juq n ARG 154 Cb 0.47 -1.50 0.60 0.00 -1.02 0.00 0.00 32.46 31.01 1juq n ARG 154 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1juq n THR 155 N -1.50 0.00 0.47 0.55 -2.24 -1.26 -3.76 114.28 106.54 1juq n THR 155 Ca 0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1juq n THR 155 Cb 0.06 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1juq n THR 155 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1juq n LEU 156 N -1.49 1.73 0.00 3.22 4.77 -0.70 -5.01 117.00 119.53 1juq n LEU 156 Ca 0.07 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1juq n LEU 156 Cb 0.34 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1juq n LEU 156 CO 0.27 0.29 0.00 -0.38 -1.33 0.00 0.00 177.39 176.25