#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dez n THR 2 N 0.00 0.29 -0.08 2.03 -2.24 -1.26 -3.19 114.28 109.83 3dez n THR 2 Ca 0.00 0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.74 3dez n THR 2 Cb 0.00 -0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 67.49 3dez n THR 2 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3dez h LEU 3 N 0.00 0.38 -0.66 3.22 5.85 -1.98 1.16 115.31 123.28 3dez h LEU 3 Ca 0.00 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 3dez h LEU 3 Cb 0.20 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3dez h LEU 3 CO 0.00 0.52 0.20 0.00 -0.34 0.00 0.00 178.44 178.81 3dez h ALA 4 N 0.88 0.86 0.41 1.25 0.00 -1.50 0.48 119.26 121.64 3dez h ALA 4 Ca 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3dez h ALA 4 Cb 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dez h ALA 4 CO 0.00 0.54 -0.20 -0.22 0.00 0.00 0.00 179.25 179.37 3dez h LYS 5 N 0.95 -0.53 -0.64 0.00 3.64 -1.62 -1.59 116.57 116.79 3dez h LYS 5 Ca 0.21 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.70 3dez h LYS 5 Cb 0.31 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 3dez h LYS 5 CO -0.01 -0.23 0.32 0.22 -2.27 0.00 0.00 179.45 177.48 3dez h ASP 6 N -0.84 0.43 -0.58 4.20 -0.00 0.14 -0.27 116.42 119.50 3dez h ASP 6 Ca -0.06 0.05 -0.07 0.00 -0.00 0.00 0.00 57.03 56.95 3dez h ASP 6 Cb 0.55 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 39.83 3dez h ASP 6 CO 0.09 0.27 0.10 0.40 -0.00 0.00 0.00 179.24 180.10 3dez h ILE 7 N 0.57 1.26 -0.71 2.25 2.04 -0.91 -1.67 117.51 120.33 3dez h ILE 7 Ca 0.30 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3dez h ILE 7 Cb 0.27 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3dez h ILE 7 CO -0.23 0.36 0.40 0.00 0.00 0.00 0.00 178.15 178.68 3dez h ALA 8 N 1.01 0.91 -0.10 1.87 0.00 -0.70 0.19 119.26 122.45 3dez h ALA 8 Ca 0.18 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3dez h ALA 8 Cb 0.41 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3dez h ALA 8 CO 0.01 0.42 -0.17 -0.09 0.00 0.00 0.00 179.25 179.42 3dez h ARG 9 N 0.98 -0.22 -0.11 0.00 9.65 -0.75 -1.40 114.38 122.53 3dez h ARG 9 Ca 0.25 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.15 3dez h ARG 9 Cb 0.03 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 3dez h ARG 9 CO -0.04 -0.15 0.07 -0.44 2.80 0.00 0.00 179.97 182.21 3dez h ASP 10 N -0.23 0.14 -0.95 -3.80 5.19 -0.77 -1.47 116.42 114.53 3dez h ASP 10 Ca 0.08 -0.06 0.15 0.00 -0.62 0.00 0.00 57.03 56.58 3dez h ASP 10 Cb 0.35 -0.03 -0.08 0.00 0.18 0.00 0.00 39.33 39.74 3dez h ASP 10 CO -0.23 0.16 0.60 -0.07 -3.12 0.00 0.00 179.24 176.58 3dez h LEU 11 N 0.11 0.75 -0.10 1.55 3.38 -0.28 -0.67 115.31 120.04 3dez h LEU 11 Ca 0.04 0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.82 3dez h LEU 11 Cb 0.05 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3dez h LEU 11 CO -0.01 0.36 -0.95 -0.07 0.09 0.00 0.00 178.44 177.86 3dez h LEU 12 N 0.78 0.80 -0.48 1.67 3.38 -1.02 0.35 115.31 120.79 3dez h LEU 12 Ca 0.49 -0.61 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 3dez h LEU 12 Cb 0.72 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3dez h LEU 12 CO -0.26 1.41 -0.40 -0.78 0.09 0.00 0.00 178.44 178.49 3dez h ASP 13 N 0.38 0.87 -0.05 -0.43 3.58 -0.15 -3.02 116.42 117.60 3dez h ASP 13 Ca -0.10 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 56.95 3dez h ASP 13 Cb 1.59 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.39 3dez h ASP 13 CO 0.18 1.16 0.00 2.30 -2.88 0.00 0.00 179.24 180.00 3dez n ILE 14 N -4.04 0.05 -3.09 2.25 -5.35 -0.38 -4.94 119.36 103.86 3dez n ILE 14 Ca -0.02 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.03 3dez n ILE 14 Cb 0.54 0.56 0.05 0.00 -1.74 0.00 0.00 39.64 39.05 3dez n ILE 14 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3dez n LYS 15 N 0.32 -4.46 0.08 6.28 5.02 -1.08 -4.91 118.16 119.41 3dez n LYS 15 Ca 0.18 0.47 -0.16 0.00 -2.02 0.00 0.00 58.31 56.79 3dez n LYS 15 Cb 0.37 -4.42 -0.14 0.00 -0.02 0.00 0.00 35.03 30.83 3dez n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dez h ALA 16 N 0.57 0.19 -3.69 7.82 0.00 -0.60 -3.44 119.26 120.12 3dez h ALA 16 Ca -0.32 -0.99 -0.68 0.00 0.00 0.00 0.00 54.91 52.92 3dez h ALA 16 Cb 1.21 0.12 -0.31 0.00 0.00 0.00 0.00 17.79 18.80 3dez h ALA 16 CO 0.31 1.07 -0.87 0.08 0.00 0.00 0.00 179.25 179.84 3dez s VAL 17 N -2.64 2.17 -0.12 0.00 1.01 -0.69 -0.07 120.40 120.06 3dez s VAL 17 Ca -0.06 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.94 3dez s VAL 17 Cb 0.07 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3dez s VAL 17 CO 0.87 0.56 -0.18 -0.47 0.00 0.00 0.00 175.10 175.88 3dez s TYR 18 N 0.06 2.28 -0.19 5.22 6.04 0.14 -4.45 117.35 126.44 3dez s TYR 18 Ca -0.10 -1.11 -0.05 0.00 0.04 0.00 0.00 57.07 55.85 3dez s TYR 18 Cb -0.16 -1.59 -0.03 0.00 -1.04 0.00 0.00 41.96 39.14 3dez s TYR 18 CO 0.06 -0.54 0.00 -0.51 -1.54 0.00 0.00 175.55 173.03 3dez s LEU 19 N 0.91 3.35 -0.40 6.97 1.43 -1.26 -0.86 118.68 128.81 3dez s LEU 19 Ca -0.07 -0.14 0.09 0.00 -1.03 0.00 0.00 54.13 52.98 3dez s LEU 19 Cb -0.15 -1.84 0.30 0.00 0.03 0.00 0.00 46.19 44.53 3dez s LEU 19 CO -0.02 0.10 0.72 1.17 0.23 0.00 0.00 176.35 178.55 3dez n LYS 20 N 4.01 0.87 0.20 1.70 3.00 0.72 -4.98 118.16 123.68 3dez n LYS 20 Ca -0.17 -2.97 0.04 0.00 -0.00 0.00 0.00 58.31 55.21 3dez n LYS 20 Cb 0.52 -1.43 0.47 0.00 0.00 0.00 0.00 35.03 34.59 3dez n LYS 20 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 3dez h PRO 21 N 3.45 0.03 0.00 1.64 0.13 -1.91 -2.36 132.00 132.98 3dez h PRO 21 Ca 0.04 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3dez h PRO 21 Cb 0.96 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3dez h PRO 21 CO 0.42 0.23 0.00 0.93 -0.23 0.00 0.00 178.00 179.36 3dez h GLU 22 N 0.03 0.00 -1.61 0.86 3.07 -1.94 -3.38 114.58 111.61 3dez h GLU 22 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.53 3dez h GLU 22 Cb 0.37 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.02 3dez h GLU 22 CO 0.03 0.00 -0.69 -2.00 -1.40 0.00 0.00 179.01 174.95 3dez s GLU 23 N -3.36 0.95 1.26 2.33 2.12 -0.95 -5.16 118.70 115.89 3dez s GLU 23 Ca 0.05 -1.38 -0.17 0.00 0.36 0.00 0.00 54.97 53.83 3dez s GLU 23 Cb 0.08 -0.62 0.30 0.00 0.26 0.00 0.00 34.13 34.14 3dez s GLU 23 CO 0.59 -1.33 0.81 -0.35 -0.54 0.00 0.00 175.26 174.45 3dez n PRO 24 N 3.14 -3.08 -3.77 4.30 -0.04 -0.93 -4.79 135.00 129.83 3dez n PRO 24 Ca 0.21 -0.89 -0.21 0.00 -0.04 0.00 0.00 63.50 62.58 3dez n PRO 24 Cb 0.52 -2.01 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 3dez n PRO 24 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dez s PHE 25 N -2.28 3.09 -0.08 0.54 0.08 0.25 -4.84 117.98 114.74 3dez s PHE 25 Ca 0.66 -0.20 -0.00 0.00 0.12 0.00 0.00 56.93 57.50 3dez s PHE 25 Cb -0.20 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 3dez s PHE 25 CO 0.62 0.21 -0.04 0.99 -0.10 0.00 0.00 175.22 176.91 3dez s THR 26 N -2.19 0.63 -0.20 0.64 2.01 -1.26 -1.77 115.64 113.51 3dez s THR 26 Ca 0.40 -0.07 -0.00 0.00 0.31 0.00 0.00 61.69 62.32 3dez s THR 26 Cb -0.08 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.74 3dez s THR 26 CO 0.28 0.29 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.81 3dez s LYS 32 N 1.61 3.06 0.08 4.92 -0.14 -1.26 -5.24 119.74 122.77 3dez s LYS 32 Ca 0.01 -0.80 0.09 0.00 -1.36 0.00 0.00 55.97 53.90 3dez s LYS 32 Cb -0.13 -2.71 -0.04 0.00 -1.68 0.00 0.00 37.83 33.28 3dez s LYS 32 CO -0.04 -0.23 -0.20 0.45 -0.76 0.00 0.00 175.35 174.57 3dez s SER 33 N 1.33 3.70 0.00 2.83 0.15 -0.73 -5.01 113.70 115.98 3dez s SER 33 Ca 0.05 -0.54 0.27 0.00 0.70 0.00 0.00 55.95 56.42 3dez s SER 33 Cb -0.14 -0.49 0.85 0.00 -1.71 0.00 0.00 66.02 64.53 3dez s SER 33 CO -0.10 0.21 1.62 -0.81 1.20 0.00 0.00 173.24 175.37 3dez n PRO 34 N 1.18 1.06 -4.35 5.44 -0.04 -1.26 0.86 135.00 137.89 3dez n PRO 34 Ca -0.16 -0.62 -0.19 0.00 -0.04 0.00 0.00 63.50 62.49 3dez n PRO 34 Cb 0.52 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 3dez n PRO 34 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3dez s ILE 35 N -2.36 0.89 -0.09 0.52 2.07 -1.26 -0.20 121.20 120.77 3dez s ILE 35 Ca 0.28 -0.73 0.02 0.00 -1.41 0.00 0.00 60.65 58.81 3dez s ILE 35 Cb 0.20 -0.79 0.01 0.00 0.13 0.00 0.00 42.46 42.01 3dez s ILE 35 CO 0.47 0.06 -0.14 -0.47 -1.91 0.00 0.00 174.94 172.96 3dez s TYR 36 N -0.61 1.69 -0.05 3.50 5.04 -0.04 -4.92 117.35 121.95 3dez s TYR 36 Ca 0.01 -0.71 0.02 0.00 -2.44 0.00 0.00 57.07 53.96 3dez s TYR 36 Cb -0.06 -1.24 0.01 0.00 0.35 0.00 0.00 41.96 41.02 3dez s TYR 36 CO 0.00 -0.37 -0.11 0.99 -1.34 0.00 0.00 175.55 174.72 3dez s THR 37 N 0.84 1.03 -0.38 4.34 2.01 -1.26 0.23 115.64 122.44 3dez s THR 37 Ca -0.11 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.49 3dez s THR 37 Cb -0.15 -0.94 0.16 0.00 0.01 0.00 0.00 72.50 71.57 3dez s THR 37 CO 0.01 0.33 0.34 -0.62 -0.69 0.00 0.00 174.62 173.99 3dez s ASP 38 N 0.58 1.58 0.00 3.53 2.15 0.90 -5.00 116.67 120.41 3dez s ASP 38 Ca -0.12 -2.08 0.20 0.00 0.43 0.00 0.00 52.55 50.98 3dez s ASP 38 Cb -0.14 0.16 0.85 0.00 -0.30 0.00 0.00 42.92 43.49 3dez s ASP 38 CO 0.03 -0.24 1.63 0.59 -0.17 0.00 0.00 175.17 177.01 3dez n ASN 39 N 3.81 0.00 0.26 -0.34 3.02 -1.26 -2.37 115.26 118.38 3dez n ASN 39 Ca 0.16 0.47 0.18 0.00 -0.03 0.00 0.00 54.58 55.36 3dez n ASN 39 Cb 0.44 -0.49 0.91 0.00 -0.61 0.00 0.00 39.78 40.03 3dez n ASN 39 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3dez h ARG 40 N 0.00 0.00 -0.29 3.52 3.08 -1.93 0.03 114.38 118.79 3dez h ARG 40 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3dez h ARG 40 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3dez h ARG 40 CO 0.00 0.00 -0.10 0.82 -1.07 0.00 0.00 179.97 179.62 3dez h ILE 41 N 0.00 1.22 -0.60 2.04 1.08 -1.85 -2.78 117.51 116.62 3dez h ILE 41 Ca 0.00 -0.94 0.10 0.00 -0.39 0.00 0.00 64.86 63.63 3dez h ILE 41 Cb 0.08 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 3dez h ILE 41 CO 0.00 0.31 0.40 0.71 -0.69 0.00 0.00 178.15 178.88 3dez h THR 42 N 0.44 0.89 0.00 -0.27 1.35 -1.21 -1.13 112.91 112.98 3dez h THR 42 Ca 0.09 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3dez h THR 42 Cb 0.44 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 3dez h THR 42 CO 0.02 0.07 0.14 -0.07 -0.25 0.00 0.00 175.52 175.44 3dez h LEU 43 N 0.39 0.00 -0.20 3.87 3.38 -1.63 -1.12 115.31 120.01 3dez h LEU 43 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3dez h LEU 43 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3dez h LEU 43 CO -0.08 0.00 -0.54 -1.20 0.09 0.00 0.00 178.44 176.72 3dez n SER 44 N -2.86 0.85 -4.05 -0.43 7.64 -0.43 -4.67 113.62 109.66 3dez n SER 44 Ca -0.02 -0.65 -0.34 0.00 1.01 0.00 0.00 58.87 58.86 3dez n SER 44 Cb 0.19 0.38 -0.11 0.00 -1.01 0.00 0.00 64.21 63.67 3dez n SER 44 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3dez s TYR 45 N -2.84 3.34 0.14 1.43 1.51 -0.42 -5.00 117.35 115.50 3dez s TYR 45 Ca 0.14 -2.87 -0.16 0.00 -1.01 0.00 0.00 57.07 53.18 3dez s TYR 45 Cb 0.18 -3.08 0.08 0.00 -0.11 0.00 0.00 41.96 39.02 3dez s TYR 45 CO 0.68 -0.81 1.06 -2.30 -1.11 0.00 0.00 175.55 173.07 3dez n PRO 46 N 3.33 -0.21 -0.07 -1.71 -0.02 -1.26 -0.51 135.00 134.55 3dez n PRO 46 Ca 0.07 1.04 -0.04 0.00 -2.02 0.00 0.00 63.50 62.56 3dez n PRO 46 Cb 0.36 -1.55 0.18 0.00 -0.02 0.00 0.00 33.50 32.47 3dez n PRO 46 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3dez h GLU 47 N 0.00 0.71 -0.20 -0.52 4.81 -1.94 0.51 114.58 117.94 3dez h GLU 47 Ca 0.19 -0.21 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 3dez h GLU 47 Cb 0.36 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.67 3dez h GLU 47 CO -0.66 0.77 -0.69 1.15 -0.73 0.00 0.00 179.01 178.84 3dez h THR 48 N 0.66 1.28 -0.57 0.32 2.02 -1.39 -1.01 112.91 114.22 3dez h THR 48 Ca 0.12 -1.89 -0.01 0.00 0.77 0.00 0.00 66.41 65.41 3dez h THR 48 Cb 0.50 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 3dez h THR 48 CO 0.03 0.60 0.33 -0.09 0.37 0.00 0.00 175.52 176.76 3dez h ARG 49 N 0.57 0.79 -0.55 6.66 2.43 -0.47 -0.07 114.38 123.75 3dez h ARG 49 Ca -0.03 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 3dez h ARG 49 Cb 1.30 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3dez h ARG 49 CO 0.14 0.59 0.02 1.15 -1.51 0.00 0.00 179.97 180.37 3dez h THR 50 N 0.77 1.26 -0.47 0.20 2.02 -0.86 0.21 112.91 116.05 3dez h THR 50 Ca 0.20 -1.08 0.07 0.00 0.77 0.00 0.00 66.41 66.37 3dez h THR 50 Cb 0.02 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 3dez h THR 50 CO -0.03 0.39 0.14 0.25 0.37 0.00 0.00 175.52 176.64 3dez h LEU 51 N 0.84 0.12 0.22 2.58 5.85 -0.71 0.12 115.31 124.32 3dez h LEU 51 Ca 0.16 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3dez h LEU 51 Cb 0.51 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3dez h LEU 51 CO 0.02 0.10 -0.10 0.40 -0.34 0.00 0.00 178.44 178.52 3dez h ILE 52 N 0.30 0.86 -0.66 4.05 2.04 -0.62 -1.55 117.51 121.94 3dez h ILE 52 Ca 0.23 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.44 3dez h ILE 52 Cb 0.25 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3dez h ILE 52 CO -0.25 0.14 0.41 -0.33 0.00 0.00 0.00 178.15 178.13 3dez h GLU 53 N -0.64 0.80 -0.62 2.37 4.39 -0.37 0.15 114.58 120.65 3dez h GLU 53 Ca -0.03 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3dez h GLU 53 Cb 0.46 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3dez h GLU 53 CO 0.05 0.53 0.30 -0.91 -1.16 0.00 0.00 179.01 177.82 3dez h ASN 54 N 0.82 0.79 0.06 1.42 2.35 -0.81 -1.03 115.58 119.18 3dez h ASN 54 Ca 0.26 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3dez h ASN 54 Cb -0.00 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3dez h ASN 54 CO -0.10 0.67 -0.10 1.23 -1.65 0.00 0.00 177.43 177.49 3dez h GLY 55 N 0.96 -0.16 0.17 2.83 0.00 0.03 -0.72 103.07 106.17 3dez h GLY 55 Ca 0.22 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.70 3dez h GLY 55 CO -0.03 -0.10 -0.33 0.74 0.00 0.00 0.00 176.54 176.82 3dez h PHE 56 N -0.20 -0.93 -0.34 5.60 0.04 -0.16 -0.71 116.94 120.25 3dez h PHE 56 Ca 0.02 0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.90 3dez h PHE 56 Cb 0.21 0.42 -0.08 0.00 2.20 0.00 0.00 35.95 38.70 3dez h PHE 56 CO -0.13 -0.41 -0.21 0.28 -0.60 0.00 0.00 178.31 177.23 3dez h VAL 57 N -0.43 0.41 -0.64 -0.55 2.07 -0.89 0.32 116.25 116.54 3dez h VAL 57 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3dez h VAL 57 Cb 0.56 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3dez h VAL 57 CO -0.34 0.00 0.36 -0.33 0.02 0.00 0.00 177.57 177.28 3dez h GLU 58 N -0.17 0.88 -0.60 1.57 4.39 -0.73 -1.47 114.58 118.45 3dez h GLU 58 Ca 0.17 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3dez h GLU 58 Cb 0.44 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3dez h GLU 58 CO -0.44 0.66 0.23 1.15 -1.16 0.00 0.00 179.01 179.44 3dez h THR 59 N 0.87 1.23 -0.72 1.13 2.02 -0.38 -2.51 112.91 114.56 3dez h THR 59 Ca 0.23 -0.75 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 3dez h THR 59 Cb 0.02 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 3dez h THR 59 CO -0.04 0.29 0.28 0.40 0.37 0.00 0.00 175.52 176.82 3dez h ILE 60 N 0.84 1.24 -0.60 3.11 2.04 -0.07 -0.07 117.51 124.01 3dez h ILE 60 Ca 0.20 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 3dez h ILE 60 Cb 0.23 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3dez h ILE 60 CO -0.01 0.31 0.16 0.11 0.00 0.00 0.00 178.15 178.72 3dez h LYS 61 N 1.04 0.92 0.18 2.37 1.57 -0.99 0.13 116.57 121.79 3dez h LYS 61 Ca 0.24 -0.19 -0.30 0.00 -1.87 0.00 0.00 60.65 58.53 3dez h LYS 61 Cb 0.21 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 32.40 3dez h LYS 61 CO -0.02 0.81 -1.33 1.49 -0.57 0.00 0.00 179.45 179.83 3dez h GLU 62 N 0.89 0.41 0.10 3.15 4.81 -1.12 -3.20 114.58 119.61 3dez h GLU 62 Ca 0.19 -0.68 -0.36 0.00 -0.13 0.00 0.00 59.36 58.39 3dez h GLU 62 Cb 0.30 0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 3dez h GLU 62 CO -0.00 1.32 -2.00 0.00 -0.73 0.00 0.00 179.01 177.59 3dez n ALA 63 N -2.62 0.94 -3.05 2.92 0.00 -0.07 -4.66 120.51 113.98 3dez n ALA 63 Ca -0.12 -0.65 -0.22 0.00 0.00 0.00 0.00 53.44 52.45 3dez n ALA 63 Cb 1.05 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 3dez n ALA 63 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3dez n PHE 64 N -3.55 1.97 0.25 0.00 3.72 0.46 -4.94 117.46 115.37 3dez n PHE 64 Ca -0.34 -3.84 0.18 0.00 -0.05 0.00 0.00 57.45 53.40 3dez n PHE 64 Cb 1.01 -0.44 0.89 0.00 -0.94 0.00 0.00 39.48 40.00 3dez n PHE 64 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3dez h PRO 65 N 2.98 0.00 -0.43 -1.08 0.13 -1.53 -1.75 132.00 130.32 3dez h PRO 65 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3dez h PRO 65 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3dez h PRO 65 CO 0.65 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.81 3dez n GLU 66 N -3.47 1.87 -1.76 0.86 1.02 -1.26 -4.95 120.64 112.95 3dez n GLU 66 Ca 0.00 -1.05 -0.41 0.00 -0.02 0.00 0.00 57.16 55.68 3dez n GLU 66 Cb 0.31 -1.37 -0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3dez n GLU 66 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3dez n VAL 67 N 0.30 2.02 0.00 2.62 3.14 -0.66 -4.77 118.33 120.97 3dez n VAL 67 Ca 0.10 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 3dez n VAL 67 Cb 0.33 -1.87 0.00 0.00 -1.06 0.00 0.00 33.84 31.24 3dez n VAL 67 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3dez n GLU 68 N 0.45 1.96 -3.74 1.45 1.02 0.21 -5.00 120.64 116.99 3dez n GLU 68 Ca 0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 3dez n GLU 68 Cb 0.38 -0.97 -0.13 0.00 -0.02 0.00 0.00 31.44 30.70 3dez n GLU 68 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dez s VAL 69 N -1.90 -0.04 -0.10 2.62 0.11 -0.40 -4.20 120.40 116.50 3dez s VAL 69 Ca 0.00 0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 59.01 3dez s VAL 69 Cb 0.00 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 3dez s VAL 69 CO 0.00 0.06 0.48 -0.63 -3.33 0.00 0.00 175.10 171.67 3dez s ILE 70 N 1.07 5.15 -0.09 7.04 -1.09 -0.84 -2.23 121.20 130.21 3dez s ILE 70 Ca -0.08 0.96 0.02 0.00 -2.23 0.00 0.00 60.65 59.33 3dez s ILE 70 Cb -0.09 -3.81 0.01 0.00 -1.58 0.00 0.00 42.46 36.98 3dez s ILE 70 CO -0.07 0.36 -0.15 0.00 -1.23 0.00 0.00 174.94 173.85 3dez s ALA 71 N 0.36 1.58 -0.01 9.38 0.00 -0.55 -0.70 121.76 131.82 3dez s ALA 71 Ca 0.26 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 3dez s ALA 71 Cb -0.16 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 3dez s ALA 71 CO 0.11 0.07 0.18 0.20 0.00 0.00 0.00 175.76 176.32 3dez s GLY 72 N 0.74 2.17 -0.15 0.00 0.00 -0.34 0.84 107.32 110.59 3dez s GLY 72 Ca -0.12 -0.76 -0.21 0.00 0.00 0.00 0.00 44.72 43.63 3dez s GLY 72 CO 0.03 -0.64 0.62 -1.59 0.00 0.00 0.00 173.10 171.52 3dez s THR 73 N -1.30 5.06 0.13 0.90 2.01 -0.93 -1.37 115.64 120.13 3dez s THR 73 Ca 0.26 1.21 -0.31 0.00 0.31 0.00 0.00 61.69 63.17 3dez s THR 73 Cb -0.13 -3.95 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 3dez s THR 73 CO 0.18 0.19 1.72 0.00 -0.69 0.00 0.00 174.62 176.02 3dez s ALA 74 N 1.39 3.77 0.00 7.40 0.00 -0.82 -1.76 121.76 131.74 3dez s ALA 74 Ca 0.31 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3dez s ALA 74 Cb -0.16 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.25 3dez s ALA 74 CO 0.12 -1.08 0.17 0.25 0.00 0.00 0.00 175.76 175.22 3dez n THR 75 N 4.51 0.00 0.21 0.00 -2.24 -1.26 -4.84 114.28 110.66 3dez n THR 75 Ca 0.16 -0.28 0.09 0.00 -2.27 0.00 0.00 64.05 61.76 3dez n THR 75 Cb 0.38 1.28 0.33 0.00 -2.10 0.00 0.00 70.33 70.22 3dez n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dez h ALA 76 N 0.00 0.93 0.00 6.98 0.00 -1.97 -3.16 119.26 122.04 3dez h ALA 76 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 3dez h ALA 76 Cb 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3dez h ALA 76 CO 0.00 0.31 -0.76 0.78 0.00 0.00 0.00 179.25 179.58 3dez h GLY 77 N 2.67 0.00 0.45 0.00 0.00 -1.60 -3.39 103.07 101.20 3dez h GLY 77 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3dez h GLY 77 CO 0.03 0.00 0.13 -2.22 0.00 0.00 0.00 176.54 174.48 3dez h ILE 78 N 0.00 0.78 -0.12 2.60 2.04 -1.56 -0.50 117.51 120.75 3dez h ILE 78 Ca -0.04 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.75 3dez h ILE 78 Cb 1.48 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 3dez h ILE 78 CO 0.07 0.05 -0.04 -0.65 0.00 0.00 0.00 178.15 177.58 3dez h PRO 79 N 0.28 -0.02 -0.70 2.37 0.11 -1.76 0.11 132.00 132.38 3dez h PRO 79 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3dez h PRO 79 Cb 0.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 3dez h PRO 79 CO -0.28 -0.01 0.44 0.45 -0.21 0.00 0.00 178.00 178.39 3dez h HIS 80 N -0.02 0.91 -0.50 0.65 3.86 -1.73 -2.40 115.15 115.91 3dez h HIS 80 Ca 0.06 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 3dez h HIS 80 Cb 0.11 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 3dez h HIS 80 CO -0.17 0.60 0.23 0.78 0.86 0.00 0.00 177.93 180.22 3dez h GLY 81 N 0.96 0.78 0.63 2.45 0.00 -0.45 -1.12 103.07 106.31 3dez h GLY 81 Ca 0.25 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 47.21 3dez h GLY 81 CO -0.05 0.38 -0.09 0.00 0.00 0.00 0.00 176.54 176.78 3dez h ALA 82 N 1.07 0.00 -0.56 3.60 0.00 -0.43 0.16 119.26 123.11 3dez h ALA 82 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3dez h ALA 82 Cb 0.14 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3dez h ALA 82 CO -0.02 -0.54 0.35 0.82 0.00 0.00 0.00 179.25 179.86 3dez h ILE 83 N -0.10 1.16 -0.13 0.00 2.04 -1.29 -1.47 117.51 117.71 3dez h ILE 83 Ca 0.07 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.64 3dez h ILE 83 Cb 0.21 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3dez h ILE 83 CO -0.17 0.16 -0.06 0.40 0.00 0.00 0.00 178.15 178.47 3dez h ILE 84 N 0.75 0.80 -0.30 -0.67 2.04 -0.73 -0.59 117.51 118.81 3dez h ILE 84 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 3dez h ILE 84 Cb -0.05 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3dez h ILE 84 CO -0.04 0.00 0.20 0.00 0.00 0.00 0.00 178.15 178.31 3dez h ALA 85 N 1.08 1.78 -0.02 1.87 0.00 -0.33 -0.69 119.26 122.94 3dez h ALA 85 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3dez h ALA 85 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dez h ALA 85 CO -0.16 0.20 -0.11 0.22 0.00 0.00 0.00 179.25 179.40 3dez h ASP 86 N 0.41 0.14 -0.92 0.00 3.58 -0.72 0.42 116.42 119.33 3dez h ASP 86 Ca 0.11 -0.66 0.04 0.00 0.42 0.00 0.00 57.03 56.95 3dez h ASP 86 Cb -0.05 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 40.91 3dez h ASP 86 CO -0.02 0.77 0.60 0.11 -2.88 0.00 0.00 179.24 177.82 3dez h LYS 87 N -0.49 1.08 -0.47 0.28 1.57 -0.75 -1.08 116.57 116.72 3dez h LYS 87 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3dez h LYS 87 Cb 0.77 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3dez h LYS 87 CO 0.02 0.72 0.00 -1.33 -0.57 0.00 0.00 179.45 178.29 3dez n MET 88 N -4.46 2.12 -4.19 3.15 2.81 -0.30 -4.93 117.12 111.32 3dez n MET 88 Ca 0.13 -1.74 -0.33 0.00 -1.81 0.00 0.00 57.70 53.96 3dez n MET 88 Cb 0.13 -1.39 -0.04 0.00 -0.71 0.00 0.00 33.22 31.21 3dez n MET 88 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3dez n ASN 89 N 0.91 -1.47 -4.58 7.83 4.13 -0.41 -4.95 115.26 116.73 3dez n ASN 89 Ca 0.16 -1.08 -0.25 0.00 1.68 0.00 0.00 54.58 55.10 3dez n ASN 89 Cb 0.41 -2.53 -0.09 0.00 -1.54 0.00 0.00 39.78 36.04 3dez n ASN 89 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3dez s LEU 90 N -7.19 2.98 0.64 3.41 1.43 0.14 -5.02 118.68 115.07 3dez s LEU 90 Ca 0.39 -0.70 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 3dez s LEU 90 Cb -0.22 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 3dez s LEU 90 CO 0.94 0.05 1.24 -2.84 0.23 0.00 0.00 176.35 175.97 3dez s PRO 91 N -3.33 2.67 -0.02 1.29 0.02 -1.26 -4.51 135.00 129.86 3dez s PRO 91 Ca 0.29 1.92 0.06 0.00 0.02 0.00 0.00 61.00 63.29 3dez s PRO 91 Cb -0.07 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 3dez s PRO 91 CO 0.17 -1.46 -0.21 -1.17 -0.33 0.00 0.00 177.00 174.00 3dez s LEU 92 N -4.35 2.03 0.09 -5.54 1.98 -1.26 -1.98 118.68 109.66 3dez s LEU 92 Ca 0.79 -0.38 -0.04 0.00 -2.89 0.00 0.00 54.13 51.61 3dez s LEU 92 Cb -0.33 -1.09 -0.03 0.00 0.66 0.00 0.00 46.19 45.40 3dez s LEU 92 CO 0.38 0.25 0.08 0.00 -1.89 0.00 0.00 176.35 175.17 3dez s ALA 93 N -0.45 0.38 -0.02 5.97 0.00 0.13 -4.66 121.76 123.10 3dez s ALA 93 Ca 0.07 -1.11 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 3dez s ALA 93 Cb -0.08 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.59 3dez s ALA 93 CO -0.00 -0.47 0.17 1.52 0.00 0.00 0.00 175.76 176.97 3dez s TYR 94 N -3.95 -0.06 -0.14 0.00 -0.85 -0.63 -1.20 117.35 110.53 3dez s TYR 94 Ca 0.12 0.12 -0.12 0.00 -0.52 0.00 0.00 57.07 56.67 3dez s TYR 94 Cb 0.07 0.00 -0.05 0.00 0.38 0.00 0.00 41.96 42.36 3dez s TYR 94 CO -0.06 -0.23 0.24 0.42 -1.52 0.00 0.00 175.55 174.41 3dez s ILE 95 N -0.85 5.33 0.00 -3.49 -1.09 -0.47 -0.39 121.20 120.24 3dez s ILE 95 Ca -0.09 0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 3dez s ILE 95 Cb -0.05 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 3dez s ILE 95 CO 0.01 0.47 0.00 0.54 -1.23 0.00 0.00 174.94 174.73 3dez n ARG 96 N 3.05 1.81 -2.87 2.79 1.74 -1.26 -1.94 116.66 119.98 3dez n ARG 96 Ca -0.15 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.82 3dez n ARG 96 Cb 0.53 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.00 3dez n ARG 96 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3dez n SER 97 N -0.47 -0.01 0.00 0.55 3.41 -1.26 -4.83 113.62 111.01 3dez n SER 97 Ca 0.00 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 3dez n SER 97 Cb 0.00 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3dez n SER 97 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3dez n GLN 107 N 0.05 0.00 -3.43 4.33 7.27 -1.26 -5.23 117.38 119.11 3dez n GLN 107 Ca 0.12 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.80 3dez n GLN 107 Cb 0.75 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 33.30 3dez n GLN 107 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3dez s ILE 108 N 0.00 5.20 -0.17 1.69 1.01 -1.26 -4.60 121.20 123.07 3dez s ILE 108 Ca 0.00 0.51 -0.19 0.00 0.00 0.00 0.00 60.65 60.97 3dez s ILE 108 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 3dez s ILE 108 CO 0.00 0.18 0.52 -1.61 0.00 0.00 0.00 174.94 174.03 3dez s GLU 109 N 1.95 4.24 0.00 2.79 0.41 0.47 -4.86 118.70 123.70 3dez s GLU 109 Ca 0.14 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 55.14 3dez s GLU 109 Cb -0.16 -3.53 0.00 0.00 -1.78 0.00 0.00 34.13 28.67 3dez s GLU 109 CO 0.10 -0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.21 3dez n GLY 110 N 3.70 0.45 2.57 -1.39 0.00 -1.26 -1.60 105.19 107.65 3dez n GLY 110 Ca -0.05 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.58 3dez n GLY 110 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dez s ARG 111 N -0.26 0.21 -0.15 1.61 3.52 -1.26 -5.07 118.95 117.55 3dez s ARG 111 Ca 0.00 -0.48 -0.02 0.00 -0.13 0.00 0.00 55.73 55.10 3dez s ARG 111 Cb 0.00 -1.34 -0.02 0.00 -1.56 0.00 0.00 34.95 32.03 3dez s ARG 111 CO 0.00 -0.95 -0.10 0.08 -0.81 0.00 0.00 175.30 173.52 3dez s VAL 112 N 2.07 3.33 0.22 7.11 1.01 -1.26 -5.02 120.40 127.87 3dez s VAL 112 Ca 0.08 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 3dez s VAL 112 Cb -0.16 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 3dez s VAL 112 CO -0.31 0.51 0.64 0.42 0.00 0.00 0.00 175.10 176.36 3dez s THR 113 N 0.45 4.76 0.13 3.92 -4.23 -1.26 -5.00 115.64 114.40 3dez s THR 113 Ca -0.07 0.90 -0.35 0.00 -1.18 0.00 0.00 61.69 60.99 3dez s THR 113 Cb -0.15 -3.71 -0.16 0.00 1.34 0.00 0.00 72.50 69.81 3dez s THR 113 CO 0.04 0.07 1.27 1.17 -0.54 0.00 0.00 174.62 176.63 3dez n LYS 114 N 0.32 1.20 -0.94 3.99 4.81 -1.26 -1.25 118.16 125.03 3dez n LYS 114 Ca -0.01 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 3dez n LYS 114 Cb 0.52 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.55 3dez n LYS 114 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dez n GLY 115 N 2.33 0.63 3.70 3.14 0.00 0.14 -5.00 105.19 110.13 3dez n GLY 115 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3dez n GLY 115 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dez s GLN 116 N -0.29 4.27 -0.29 1.61 0.74 -0.38 -4.50 119.66 120.82 3dez s GLN 116 Ca 0.00 2.12 -0.29 0.00 0.05 0.00 0.00 55.36 57.24 3dez s GLN 116 Cb 0.00 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.66 3dez s GLN 116 CO 0.00 -0.57 1.58 0.15 -0.55 0.00 0.00 175.29 175.90 3dez s LYS 117 N 1.91 3.67 0.03 1.67 1.02 -1.26 -1.92 119.74 124.85 3dez s LYS 117 Ca 0.67 1.43 0.05 0.00 0.02 0.00 0.00 55.97 58.15 3dez s LYS 117 Cb -0.36 -4.05 -0.03 0.00 -0.52 0.00 0.00 37.83 32.87 3dez s LYS 117 CO 0.29 -1.44 -0.13 1.41 -0.92 0.00 0.00 175.35 174.56 3dez s MET 118 N 4.87 2.29 -0.15 1.68 -2.45 -0.20 0.64 119.30 125.98 3dez s MET 118 Ca 0.70 -0.87 0.02 0.00 -1.25 0.00 0.00 55.69 54.28 3dez s MET 118 Cb -0.21 -2.33 0.02 0.00 1.25 0.00 0.00 34.83 33.55 3dez s MET 118 CO 0.30 0.57 -0.19 0.08 1.05 0.00 0.00 175.02 176.83 3dez s VAL 119 N -0.96 1.90 -0.06 10.11 1.01 -0.95 0.26 120.40 131.72 3dez s VAL 119 Ca 0.16 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 3dez s VAL 119 Cb -0.11 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 3dez s VAL 119 CO 0.06 0.52 0.41 -0.63 0.00 0.00 0.00 175.10 175.46 3dez s ILE 120 N 1.11 5.12 -0.18 2.22 1.01 -0.93 -1.48 121.20 128.07 3dez s ILE 120 Ca -0.01 0.82 -0.07 0.00 0.00 0.00 0.00 60.65 61.39 3dez s ILE 120 Cb -0.14 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3dez s ILE 120 CO -0.07 0.48 0.05 -0.63 0.00 0.00 0.00 174.94 174.77 3dez s ILE 121 N -0.36 4.72 0.06 2.92 -1.09 0.25 -2.14 121.20 125.55 3dez s ILE 121 Ca 0.23 -0.06 0.04 0.00 -2.23 0.00 0.00 60.65 58.63 3dez s ILE 121 Cb -0.16 -3.12 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 3dez s ILE 121 CO 0.11 0.46 -0.12 -0.70 -1.23 0.00 0.00 174.94 173.46 3dez s GLU 122 N 0.38 0.74 -0.03 2.79 2.56 -0.78 -2.20 118.70 122.17 3dez s GLU 122 Ca 0.03 -0.91 -0.02 0.00 0.00 0.00 0.00 54.97 54.06 3dez s GLU 122 Cb -0.13 -0.65 -0.01 0.00 2.00 0.00 0.00 34.13 35.35 3dez s GLU 122 CO 0.00 0.14 0.18 0.22 -0.56 0.00 0.00 175.26 175.24 3dez h ASP 123 N 4.29 -0.06 -4.17 -1.70 1.82 -1.88 -2.62 116.42 112.10 3dez h ASP 123 Ca -0.39 0.00 -0.64 0.00 -0.39 0.00 0.00 57.03 55.61 3dez h ASP 123 Cb 1.19 0.02 -0.24 0.00 0.68 0.00 0.00 39.33 40.98 3dez h ASP 123 CO 0.41 0.11 -0.86 -0.22 -1.61 0.00 0.00 179.24 177.08 3dez s LEU 124 N -5.74 2.23 -0.35 2.28 2.96 -1.26 -2.46 118.68 116.34 3dez s LEU 124 Ca -0.01 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 3dez s LEU 124 Cb 0.00 -1.12 0.09 0.00 0.50 0.00 0.00 46.19 45.66 3dez s LEU 124 CO 0.03 0.18 0.08 -0.63 -1.32 0.00 0.00 176.35 174.70 3dez s ILE 125 N -0.93 2.77 0.00 6.68 -1.09 -0.56 -4.92 121.20 123.15 3dez s ILE 125 Ca 0.10 -2.01 0.00 0.00 -2.23 0.00 0.00 60.65 56.52 3dez s ILE 125 Cb -0.10 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 3dez s ILE 125 CO 0.03 -0.50 0.00 -0.24 -1.23 0.00 0.00 174.94 173.01 3dez n SER 126 N 4.46 0.00 0.03 3.58 2.88 -1.26 -2.37 113.62 120.93 3dez n SER 126 Ca -0.03 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.60 3dez n SER 126 Cb 0.42 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.78 3dez n SER 126 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3dez n THR 127 N -1.05 0.40 -0.94 2.46 -2.24 -1.26 -4.49 114.28 107.17 3dez n THR 127 Ca 0.00 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3dez n THR 127 Cb 0.00 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 3dez n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dez n GLY 128 N 1.28 0.46 0.22 3.38 0.00 -1.26 -3.76 105.19 105.50 3dez n GLY 128 Ca -0.05 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 3dez n GLY 128 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dez h GLY 129 N 0.00 0.85 0.95 -0.02 0.00 -1.97 -2.80 103.07 100.08 3dez h GLY 129 Ca 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 47.33 46.06 3dez h GLY 129 CO 0.00 1.11 -0.28 1.76 0.00 0.00 0.00 176.54 179.13 3dez h SER 130 N 0.51 -0.66 -0.43 0.19 0.02 -1.98 -2.16 113.55 109.05 3dez h SER 130 Ca -0.06 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3dez h SER 130 Cb 1.45 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 64.14 3dez h SER 130 CO 0.17 -0.43 0.26 -0.37 -1.14 0.00 0.00 176.83 175.32 3dez h VAL 131 N -0.84 1.13 -0.56 2.27 -1.51 -1.95 -1.81 116.25 112.98 3dez h VAL 131 Ca -0.08 -0.29 0.09 0.00 -1.23 0.00 0.00 66.70 65.20 3dez h VAL 131 Cb 0.62 0.56 -0.03 0.00 -2.13 0.00 0.00 31.29 30.31 3dez h VAL 131 CO 0.13 0.13 0.38 -0.07 -1.23 0.00 0.00 177.57 176.91 3dez h LEU 132 N 0.56 0.34 -0.34 4.19 3.38 -1.46 0.81 115.31 122.79 3dez h LEU 132 Ca 0.15 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 3dez h LEU 132 Cb -0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3dez h LEU 132 CO -0.03 0.21 -0.38 0.44 0.09 0.00 0.00 178.44 178.76 3dez h ASP 133 N 0.37 0.92 -0.62 -0.43 3.32 -0.81 0.12 116.42 119.30 3dez h ASP 133 Ca 0.26 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 3dez h ASP 133 Cb 0.51 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3dez h ASP 133 CO -0.07 1.22 0.32 0.00 -1.72 0.00 0.00 179.24 178.99 3dez h ALA 134 N 0.73 0.80 0.09 3.45 0.00 0.08 0.88 119.26 125.29 3dez h ALA 134 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dez h ALA 134 Cb 0.98 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3dez h ALA 134 CO 0.09 0.34 -0.04 0.28 0.00 0.00 0.00 179.25 179.92 3dez h VAL 135 N 0.85 0.93 -0.30 0.00 2.07 0.73 -1.10 116.25 119.43 3dez h VAL 135 Ca 0.22 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.72 3dez h VAL 135 Cb 0.08 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3dez h VAL 135 CO -0.03 0.02 -0.10 0.00 0.02 0.00 0.00 177.57 177.48 3dez h ALA 136 N 0.75 0.16 -0.52 1.67 0.00 -0.32 -1.70 119.26 119.30 3dez h ALA 136 Ca -0.01 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3dez h ALA 136 Cb 0.13 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3dez h ALA 136 CO 0.02 -0.49 0.33 0.00 0.00 0.00 0.00 179.25 179.11 3dez h ALA 137 N 1.24 0.67 -0.30 0.00 0.00 -0.64 -1.73 119.26 118.50 3dez h ALA 137 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3dez h ALA 137 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3dez h ALA 137 CO -0.33 0.06 0.12 0.00 0.00 0.00 0.00 179.25 179.09 3dez h ALA 138 N 1.21 0.34 -0.94 0.00 0.00 -0.68 -1.85 119.26 117.34 3dez h ALA 138 Ca 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3dez h ALA 138 Cb -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3dez h ALA 138 CO -0.07 -0.28 0.57 1.96 0.00 0.00 0.00 179.25 181.43 3dez h GLN 139 N 0.26 1.27 0.00 0.00 4.20 -1.10 -0.52 115.11 119.22 3dez h GLN 139 Ca 0.13 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3dez h GLN 139 Cb 0.08 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.59 3dez h GLN 139 CO -0.12 0.88 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.82 3dez h ARG 140 N 1.29 0.00 -0.53 1.46 2.43 -0.54 -0.65 114.38 117.84 3dez h ARG 140 Ca 0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 3dez h ARG 140 Cb -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3dez h ARG 140 CO -0.06 0.01 0.00 0.39 -1.51 0.00 0.00 179.97 178.80 3dez n GLU 141 N -3.34 3.71 -0.48 0.20 1.02 -0.26 -4.95 120.64 116.55 3dez n GLU 141 Ca -0.03 -2.85 0.00 0.00 -0.02 0.00 0.00 57.16 54.27 3dez n GLU 141 Cb 0.11 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 3dez n GLU 141 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dez n GLY 142 N 0.65 0.76 3.81 0.62 0.00 -0.25 -4.83 105.19 105.96 3dez n GLY 142 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 3dez n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dez s ALA 143 N -2.07 3.51 -0.83 4.61 0.00 -0.86 0.23 121.76 126.35 3dez s ALA 143 Ca 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 3dez s ALA 143 Cb 0.00 -2.73 0.20 0.00 0.00 0.00 0.00 23.12 20.59 3dez s ALA 143 CO 0.00 0.37 0.83 0.34 0.00 0.00 0.00 175.76 177.30 3dez s ASP 144 N -1.37 6.70 -0.25 0.00 2.15 -0.81 -4.04 116.67 119.05 3dez s ASP 144 Ca 0.36 -2.50 -0.29 0.00 0.43 0.00 0.00 52.55 50.55 3dez s ASP 144 Cb -0.19 -2.25 -0.02 0.00 -0.30 0.00 0.00 42.92 40.17 3dez s ASP 144 CO 0.21 -0.70 1.53 -0.69 -0.17 0.00 0.00 175.17 175.35 3dez s VAL 145 N 0.79 3.82 0.14 1.11 1.01 -1.26 -1.03 120.40 124.97 3dez s VAL 145 Ca 0.20 0.91 0.15 0.00 0.00 0.00 0.00 61.98 63.25 3dez s VAL 145 Cb -0.10 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.49 3dez s VAL 145 CO -0.08 -0.36 1.62 -0.07 0.00 0.00 0.00 175.10 176.21 3dez h LEU 146 N 11.55 0.00 0.00 3.92 3.38 -0.55 -3.47 115.31 130.14 3dez h LEU 146 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3dez h LEU 146 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3dez h LEU 146 CO 1.01 0.50 0.00 0.61 0.09 0.00 0.00 178.44 180.66 3dez n GLY 147 N 0.49 -0.68 3.26 0.83 0.00 -1.25 -4.59 105.19 103.25 3dez n GLY 147 Ca -0.00 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 3dez n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dez s VAL 148 N -2.84 1.52 -0.03 1.61 1.01 0.86 -2.19 120.40 120.34 3dez s VAL 148 Ca 0.00 -1.56 -0.00 0.00 0.00 0.00 0.00 61.98 60.42 3dez s VAL 148 Cb 0.00 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 34.94 3dez s VAL 148 CO 0.00 -0.19 0.03 -0.69 0.00 0.00 0.00 175.10 174.25 3dez s VAL 149 N -1.44 0.02 0.17 2.92 1.01 -0.91 -1.11 120.40 121.05 3dez s VAL 149 Ca 0.06 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.34 3dez s VAL 149 Cb -0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 3dez s VAL 149 CO 0.04 0.14 -0.15 0.00 0.00 0.00 0.00 175.10 175.13 3dez s ALA 150 N 1.40 1.86 0.04 5.51 0.00 -0.16 -1.87 121.76 128.53 3dez s ALA 150 Ca -0.05 -1.53 -0.24 0.00 0.00 0.00 0.00 51.96 50.15 3dez s ALA 150 Cb -0.13 -0.10 -0.17 0.00 0.00 0.00 0.00 23.12 22.73 3dez s ALA 150 CO -0.03 0.10 1.49 0.82 0.00 0.00 0.00 175.76 178.14 3dez h ILE 151 N 2.95 1.22 -4.07 0.00 2.04 -1.13 -1.13 117.51 117.39 3dez h ILE 151 Ca -0.39 -0.65 -0.16 0.00 1.00 0.00 0.00 64.86 64.65 3dez h ILE 151 Cb 1.21 1.60 -0.15 0.00 -0.74 0.00 0.00 36.82 38.74 3dez h ILE 151 CO 0.57 0.17 -0.69 0.12 0.00 0.00 0.00 178.15 178.32 3dez s PHE 152 N -5.13 0.65 -0.11 1.37 5.36 -1.09 -1.24 117.98 117.79 3dez s PHE 152 Ca -0.14 -0.98 -0.10 0.00 -0.96 0.00 0.00 56.93 54.74 3dez s PHE 152 Cb 0.04 -0.43 0.03 0.00 -0.34 0.00 0.00 43.02 42.32 3dez s PHE 152 CO 0.68 -0.28 0.30 -0.08 -1.46 0.00 0.00 175.22 174.38 3dez s THR 153 N -3.66 -0.00 -1.24 0.12 -1.32 -1.20 -1.50 115.64 106.85 3dez s THR 153 Ca 0.07 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.84 3dez s THR 153 Cb 0.06 -0.43 0.38 0.00 -1.51 0.00 0.00 72.50 71.00 3dez s THR 153 CO -0.07 0.00 1.93 -1.22 -2.21 0.00 0.00 174.62 173.05 3dez n TYR 154 N 2.96 0.00 -1.74 9.09 4.01 -1.00 -1.10 117.16 129.39 3dez n TYR 154 Ca -0.13 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.45 3dez n TYR 154 Cb 0.58 -0.38 -0.05 0.00 -0.31 0.00 0.00 39.34 39.18 3dez n TYR 154 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3dez n GLU 155 N -1.38 -1.15 -1.73 -0.72 1.02 -1.26 -4.68 120.64 110.75 3dez n GLU 155 Ca 0.10 0.96 -0.42 0.00 -0.02 0.00 0.00 57.16 57.78 3dez n GLU 155 Cb 0.27 -5.19 -0.02 0.00 -0.02 0.00 0.00 31.44 26.48 3dez n GLU 155 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dez n LEU 156 N -1.94 4.04 0.02 -4.62 4.32 -1.26 -4.87 117.00 112.68 3dez n LEU 156 Ca -0.17 1.13 0.11 0.00 -0.02 0.00 0.00 56.01 57.07 3dez n LEU 156 Cb 0.56 -1.56 0.55 0.00 -1.62 0.00 0.00 43.42 41.35 3dez n LEU 156 CO 0.23 0.02 1.16 1.55 -1.22 0.00 0.00 177.39 179.13 3dez h PRO 157 N 4.98 0.27 -0.57 3.23 0.13 -1.92 -1.55 132.00 136.56 3dez h PRO 157 Ca -0.46 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3dez h PRO 157 Cb 1.23 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 3dez h PRO 157 CO 0.81 0.18 0.37 -0.22 -0.23 0.00 0.00 178.00 178.90 3dez h LYS 158 N 0.28 0.72 -0.48 0.86 3.64 -1.92 -1.60 116.57 118.07 3dez h LYS 158 Ca 0.19 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3dez h LYS 158 Cb 0.42 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3dez h LYS 158 CO -0.04 0.47 0.29 0.00 -2.27 0.00 0.00 179.45 177.90 3dez h ALA 159 N 1.23 0.61 -0.92 5.00 0.00 -1.37 0.14 119.26 123.94 3dez h ALA 159 Ca 0.22 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3dez h ALA 159 Cb -0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3dez h ALA 159 CO -0.07 0.09 0.61 1.15 0.00 0.00 0.00 179.25 181.03 3dez h THR 160 N 0.64 1.18 0.63 0.00 2.02 -1.30 -0.19 112.91 115.88 3dez h THR 160 Ca 0.17 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3dez h THR 160 Cb -0.01 -0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.30 3dez h THR 160 CO -0.03 0.22 -0.30 0.00 0.37 0.00 0.00 175.52 175.77 3dez h ALA 161 N 1.45 -0.85 -0.72 6.16 0.00 -0.50 0.67 119.26 125.46 3dez h ALA 161 Ca 0.36 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.22 3dez h ALA 161 Cb -0.03 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 17.97 3dez h ALA 161 CO -0.10 -0.85 0.08 -0.91 0.00 0.00 0.00 179.25 177.47 3dez h ASN 162 N -1.10 -0.18 -0.38 0.00 -0.26 -0.47 0.25 115.58 113.44 3dez h ASN 162 Ca -0.09 0.17 -0.13 0.00 -0.56 0.00 0.00 56.30 55.69 3dez h ASN 162 Cb 0.69 0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 38.21 3dez h ASN 162 CO 0.14 -0.11 -0.27 -0.26 -1.06 0.00 0.00 177.43 175.87 3dez h PHE 163 N 0.17 1.04 -0.59 1.19 0.04 -1.01 -1.65 116.94 116.13 3dez h PHE 163 Ca 0.40 -0.26 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 3dez h PHE 163 Cb 0.69 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.58 3dez h PHE 163 CO -0.34 1.06 0.10 0.93 -0.60 0.00 0.00 178.31 179.45 3dez h GLU 164 N 0.77 0.94 0.51 1.51 4.39 0.11 -1.42 114.58 121.39 3dez h GLU 164 Ca 0.09 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 3dez h GLU 164 Cb 0.83 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.36 3dez h GLU 164 CO 0.07 0.87 -0.25 -0.22 -1.16 0.00 0.00 179.01 178.33 3dez h LYS 165 N 0.89 -0.66 0.00 2.33 3.64 -0.48 -3.06 116.57 119.23 3dez h LYS 165 Ca 0.18 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3dez h LYS 165 Cb 0.39 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3dez h LYS 165 CO 0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 179.45 176.81 3dez n ALA 166 N -2.66 1.54 -3.68 5.00 0.00 -0.63 -4.84 120.51 115.23 3dez n ALA 166 Ca -0.10 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 3dez n ALA 166 Cb 0.30 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.69 3dez n ALA 166 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dez n SER 167 N -1.20 -1.66 -4.26 0.00 7.64 -0.60 -4.99 113.62 108.55 3dez n SER 167 Ca 0.03 -0.83 -0.32 0.00 1.01 0.00 0.00 58.87 58.76 3dez n SER 167 Cb 0.04 -4.04 -0.16 0.00 -1.01 0.00 0.00 64.21 59.04 3dez n SER 167 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dez s VAL 168 N -3.65 2.37 0.19 0.44 1.01 -0.81 -5.06 120.40 114.89 3dez s VAL 168 Ca 0.05 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 3dez s VAL 168 Cb -0.01 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.35 3dez s VAL 168 CO 0.81 0.55 1.05 -0.75 0.00 0.00 0.00 175.10 176.76 3dez s LYS 169 N 0.39 4.66 0.01 2.72 2.20 -1.26 -4.71 119.74 123.74 3dez s LYS 169 Ca -0.16 1.65 0.05 0.00 -0.36 0.00 0.00 55.97 57.16 3dez s LYS 169 Cb -0.17 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.85 3dez s LYS 169 CO 0.07 0.19 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.91 3dez s LEU 170 N -0.57 2.09 -0.04 5.43 2.96 -1.26 -0.10 118.68 127.19 3dez s LEU 170 Ca 0.47 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.97 3dez s LEU 170 Cb -0.28 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.61 3dez s LEU 170 CO 0.34 0.15 0.10 -0.69 -1.32 0.00 0.00 176.35 174.94 3dez s VAL 171 N -0.58 -0.02 0.18 1.68 1.01 -0.27 -4.97 120.40 117.43 3dez s VAL 171 Ca 0.06 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.21 3dez s VAL 171 Cb -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 3dez s VAL 171 CO 0.00 0.03 -0.21 0.42 0.00 0.00 0.00 175.10 175.35 3dez s THR 172 N 0.49 2.07 0.02 3.92 -4.23 -1.26 -0.99 115.64 115.66 3dez s THR 172 Ca -0.04 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 58.59 3dez s THR 172 Cb -0.05 -1.98 -0.14 0.00 1.34 0.00 0.00 72.50 71.67 3dez s THR 172 CO -0.02 -0.24 1.21 -0.07 -0.54 0.00 0.00 174.62 174.96 3dez h LEU 173 N 3.17 0.00 -7.86 4.79 3.38 -1.03 -3.48 115.31 114.29 3dez h LEU 173 Ca -0.44 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 3dez h LEU 173 Cb 1.21 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.85 3dez h LEU 173 CO 0.50 0.85 -0.14 -0.55 0.09 0.00 0.00 178.44 179.19 3dez s SER 174 N -6.51 -0.11 0.22 -0.43 0.15 -0.38 -3.08 113.70 103.57 3dez s SER 174 Ca 0.01 -0.66 -0.01 0.00 0.70 0.00 0.00 55.95 55.99 3dez s SER 174 Cb 0.09 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 3dez s SER 174 CO 0.80 -0.97 0.18 0.54 1.20 0.00 0.00 173.24 174.99 3dez s ASN 175 N -2.91 0.32 0.14 5.45 4.22 -1.26 -3.25 114.94 117.65 3dez s ASN 175 Ca 0.13 -1.40 -0.18 0.00 -2.14 0.00 0.00 52.86 49.27 3dez s ASN 175 Cb 0.01 0.42 0.00 0.00 1.28 0.00 0.00 41.25 42.97 3dez s ASN 175 CO -0.02 -0.90 1.76 0.22 -2.04 0.00 0.00 177.10 176.12 3dez h TYR 176 N 2.53 0.20 -0.08 1.54 3.20 -1.38 -1.54 116.97 121.43 3dez h TYR 176 Ca -0.34 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.57 3dez h TYR 176 Cb 1.25 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 3dez h TYR 176 CO 0.53 0.10 -0.06 0.77 -1.64 0.00 0.00 178.16 177.87 3dez h SER 177 N 0.25 -0.18 -0.59 -2.11 0.02 -1.90 -1.19 113.55 107.85 3dez h SER 177 Ca 0.12 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3dez h SER 177 Cb 0.07 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3dez h SER 177 CO -0.11 -0.08 0.28 -0.33 -1.14 0.00 0.00 176.83 175.45 3dez h GLU 178 N -0.06 0.85 -0.78 3.45 4.39 -1.94 -2.07 114.58 118.41 3dez h GLU 178 Ca 0.05 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 3dez h GLU 178 Cb 0.14 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3dez h GLU 178 CO -0.12 0.69 0.31 1.25 -1.16 0.00 0.00 179.01 179.98 3dez h LEU 179 N 0.80 1.08 -0.48 1.33 6.46 -0.99 -0.98 115.31 122.53 3dez h LEU 179 Ca 0.20 -0.18 -0.17 0.00 -0.12 0.00 0.00 57.88 57.62 3dez h LEU 179 Cb 0.12 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 3dez h LEU 179 CO -0.03 0.96 -0.67 0.16 -0.62 0.00 0.00 178.44 178.25 3dez h ILE 180 N 1.13 1.37 -0.31 4.05 3.07 -1.09 0.95 117.51 126.69 3dez h ILE 180 Ca 0.26 -2.05 -0.00 0.00 1.55 0.00 0.00 64.86 64.62 3dez h ILE 180 Cb 0.22 2.03 -0.01 0.00 -0.27 0.00 0.00 36.82 38.79 3dez h ILE 180 CO -0.02 0.62 0.19 0.50 -1.05 0.00 0.00 178.15 178.39 3dez h LYS 181 N 0.27 0.41 -0.51 0.16 3.64 -1.15 -1.23 116.57 118.16 3dez h LYS 181 Ca -0.02 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 3dez h LYS 181 Cb 1.22 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3dez h LYS 181 CO 0.11 0.31 0.09 0.28 -2.27 0.00 0.00 179.45 177.97 3dez h VAL 182 N 0.40 1.23 -0.82 2.00 2.07 -1.01 -2.42 116.25 117.69 3dez h VAL 182 Ca 0.11 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3dez h VAL 182 Cb -0.01 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3dez h VAL 182 CO -0.02 0.31 0.49 0.00 0.02 0.00 0.00 177.57 178.37 3dez h ALA 183 N 1.34 1.32 0.11 1.67 0.00 -0.01 -0.33 119.26 123.36 3dez h ALA 183 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dez h ALA 183 Cb 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dez h ALA 183 CO 0.00 0.58 -0.05 -0.22 0.00 0.00 0.00 179.25 179.56 3dez h LYS 184 N 1.13 -0.15 -0.56 0.00 1.63 -0.84 0.31 116.57 118.09 3dez h LYS 184 Ca 0.30 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.18 3dez h LYS 184 Cb -0.04 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.56 3dez h LYS 184 CO -0.06 0.24 0.22 0.28 -3.45 0.00 0.00 179.45 176.69 3dez h VAL 185 N -0.58 0.82 0.00 2.00 2.07 -1.26 -1.16 116.25 118.14 3dez h VAL 185 Ca -0.02 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3dez h VAL 185 Cb 0.46 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3dez h VAL 185 CO 0.03 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.69 3dez n GLN 186 N -4.98 0.59 -1.68 1.57 1.13 -0.15 -4.91 117.38 108.95 3dez n GLN 186 Ca 0.07 0.03 -0.02 0.00 -1.94 0.00 0.00 57.00 55.14 3dez n GLN 186 Cb 0.23 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.08 3dez n GLN 186 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dez n GLY 187 N 0.74 0.38 0.09 1.08 0.00 -0.44 -4.94 105.19 102.10 3dez n GLY 187 Ca 0.16 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 3dez n GLY 187 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3dez h TYR 188 N 0.00 0.20 -3.96 1.61 0.05 -0.63 -3.47 116.97 110.77 3dez h TYR 188 Ca -0.04 -0.15 -0.21 0.00 0.05 0.00 0.00 58.73 58.38 3dez h TYR 188 Cb 0.70 -0.01 -0.18 0.00 1.01 0.00 0.00 36.73 38.25 3dez h TYR 188 CO 0.04 1.19 -0.71 0.96 -1.05 0.00 0.00 178.16 178.60 3dez s ILE 189 N -2.63 0.48 0.57 -2.88 -4.36 -1.12 -5.01 121.20 106.24 3dez s ILE 189 Ca -0.06 -1.48 0.08 0.00 -0.26 0.00 0.00 60.65 58.93 3dez s ILE 189 Cb 0.08 -1.09 0.08 0.00 1.25 0.00 0.00 42.46 42.78 3dez s ILE 189 CO 0.83 -0.68 0.78 1.51 0.24 0.00 0.00 174.94 177.63 3dez s ASP 190 N -2.30 5.10 0.40 4.36 1.47 -1.26 -4.35 116.67 120.09 3dez s ASP 190 Ca -0.00 -0.71 0.19 0.00 1.18 0.00 0.00 52.55 53.21 3dez s ASP 190 Cb -0.02 0.09 1.12 0.00 -0.34 0.00 0.00 42.92 43.77 3dez s ASP 190 CO -0.03 -1.31 1.76 0.00 0.68 0.00 0.00 175.17 176.26 3dez h ALA 191 N 0.16 2.26 -0.13 2.11 0.00 -2.00 -1.16 119.26 120.50 3dez h ALA 191 Ca -0.32 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3dez h ALA 191 Cb 1.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3dez h ALA 191 CO 0.42 -0.68 -0.28 -0.44 0.00 0.00 0.00 179.25 178.27 3dez h ASP 192 N 0.37 0.47 -0.58 0.00 3.32 -2.00 -2.93 116.42 115.07 3dez h ASP 192 Ca 0.61 -0.57 0.05 0.00 0.02 0.00 0.00 57.03 57.14 3dez h ASP 192 Cb 1.58 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.95 3dez h ASP 192 CO -0.31 0.95 0.31 1.23 -1.72 0.00 0.00 179.24 179.70 3dez h GLY 193 N 0.01 0.82 0.08 2.75 0.00 -1.61 -1.61 103.07 103.50 3dez h GLY 193 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.12 3dez h GLY 193 CO 0.06 0.15 -0.27 -2.00 0.00 0.00 0.00 176.54 174.48 3dez h LEU 194 N 0.60 -0.82 -1.72 3.11 5.85 -1.33 0.13 115.31 121.13 3dez h LEU 194 Ca 0.25 0.08 0.13 0.00 0.84 0.00 0.00 57.88 59.19 3dez h LEU 194 Cb 0.13 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3dez h LEU 194 CO -0.15 -0.29 0.43 0.71 -0.34 0.00 0.00 178.44 178.80 3dez h THR 195 N -0.40 0.81 -0.72 1.05 1.35 -1.40 0.17 112.91 113.77 3dez h THR 195 Ca -0.01 -0.10 -0.06 0.00 -0.55 0.00 0.00 66.41 65.70 3dez h THR 195 Cb 0.40 0.49 -0.03 0.00 -1.73 0.00 0.00 68.15 67.28 3dez h THR 195 CO -0.14 0.05 0.22 -0.07 -0.25 0.00 0.00 175.52 175.33 3dez h LEU 196 N 0.29 1.05 -1.02 3.87 3.38 -0.32 -1.78 115.31 120.78 3dez h LEU 196 Ca 0.31 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3dez h LEU 196 Cb 0.80 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3dez h LEU 196 CO -0.07 0.98 -0.39 -0.07 0.09 0.00 0.00 178.44 178.98 3dez h LEU 197 N 1.06 0.20 -0.34 1.67 3.38 0.20 -2.16 115.31 119.31 3dez h LEU 197 Ca 0.23 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3dez h LEU 197 Cb 0.31 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3dez h LEU 197 CO -0.01 0.57 -0.14 0.11 0.09 0.00 0.00 178.44 179.06 3dez h LYS 198 N 0.16 0.70 -0.71 1.13 1.57 -0.89 -2.84 116.57 115.70 3dez h LYS 198 Ca 0.02 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3dez h LYS 198 Cb 0.77 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 3dez h LYS 198 CO 0.06 0.90 0.39 0.87 -0.57 0.00 0.00 179.45 181.10 3dez h LYS 199 N 0.48 0.98 -0.70 3.15 1.57 -1.05 -2.10 116.57 118.92 3dez h LYS 199 Ca 0.08 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3dez h LYS 199 Cb 0.67 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3dez h LYS 199 CO 0.05 0.72 0.38 0.35 -0.57 0.00 0.00 179.45 180.38 3dez h PHE 200 N 0.99 0.94 -0.51 -1.35 3.57 -1.23 0.34 116.94 119.70 3dez h PHE 200 Ca 0.25 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 3dez h PHE 200 Cb 0.02 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 3dez h PHE 200 CO 0.01 0.66 -0.07 -0.22 -2.23 0.00 0.00 178.31 176.45 3dez h LYS 201 N 0.97 0.95 -0.15 1.11 3.64 -1.16 -2.93 116.57 118.99 3dez h LYS 201 Ca 0.25 -0.34 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 3dez h LYS 201 Cb 0.02 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3dez h LYS 201 CO -0.04 1.00 -0.38 0.93 -2.27 0.00 0.00 179.45 178.69 3dez h GLU 202 N 0.81 0.33 -1.35 1.90 4.39 -0.88 -3.44 114.58 116.35 3dez h GLU 202 Ca 0.14 -0.15 0.13 0.00 0.34 0.00 0.00 59.36 59.81 3dez h GLU 202 Cb 0.62 -0.01 -0.22 0.00 -0.10 0.00 0.00 28.75 29.05 3dez h GLU 202 CO 0.04 0.67 -0.02 1.21 -1.16 0.00 0.00 179.01 179.75 3dez s ASN 203 N -6.86 -0.95 0.23 1.42 2.47 0.05 -5.02 114.94 106.26 3dez s ASN 203 Ca -0.05 1.09 0.21 0.00 0.42 0.00 0.00 52.86 54.52 3dez s ASN 203 Cb 0.13 2.00 0.93 0.00 -1.45 0.00 0.00 41.25 42.86 3dez s ASN 203 CO 0.78 -0.18 1.64 0.00 -3.72 0.00 0.00 177.10 175.62 3dez n GLN 204 N 5.30 0.15 -0.10 0.43 1.13 -1.12 -3.60 117.38 119.57 3dez n GLN 204 Ca -0.09 0.45 -0.23 0.00 -1.94 0.00 0.00 57.00 55.19 3dez n GLN 204 Cb 0.51 -1.83 -0.11 0.00 0.11 0.00 0.00 30.24 28.92 3dez n GLN 204 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3dez n GLU 205 N -2.12 0.59 -1.32 -1.09 1.02 -1.26 -4.61 120.64 111.86 3dez n GLU 205 Ca 0.01 0.48 -0.27 0.00 -0.02 0.00 0.00 57.16 57.37 3dez n GLU 205 Cb 0.17 -1.69 0.12 0.00 -0.02 0.00 0.00 31.44 30.01 3dez n GLU 205 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3dez n THR 206 N -4.29 3.27 0.09 2.62 -2.24 -1.24 -4.63 114.28 107.86 3dez n THR 206 Ca -0.37 -2.76 -0.07 0.00 -2.27 0.00 0.00 64.05 58.59 3dez n THR 206 Cb 0.76 -0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 3dez n THR 206 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3dez h TRP 207 N 1.62 0.12 -0.01 4.78 5.08 -1.81 -3.49 115.95 122.24 3dez h TRP 207 Ca 0.55 -0.07 0.00 0.00 1.08 0.00 0.00 58.89 60.45 3dez h TRP 207 Cb 1.59 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 27.73 3dez h TRP 207 CO 1.38 0.91 0.00 1.04 -1.28 0.00 0.00 178.44 180.49