#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tbx n THR 4 N 0.00-12.61 -2.40 6.66 -1.04 -1.26 -4.97 114.28 98.66 1tbx n THR 4 Ca 0.00 3.03 -0.37 0.00 -2.04 0.00 0.00 64.05 64.67 1tbx n THR 4 Cb 0.00 -5.67 -0.03 0.00 -1.82 0.00 0.00 70.33 62.81 1tbx n THR 4 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1tbx s PRO 5 N -0.54 4.04 0.00 -2.82 0.02 -1.26 -4.50 135.00 129.93 1tbx s PRO 5 Ca 0.00 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.70 1tbx s PRO 5 Cb 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 34.50 31.96 1tbx s PRO 5 CO 0.00 -0.29 0.00 1.19 -0.33 0.00 0.00 177.00 177.57 1tbx n PHE 6 N -0.11 0.00 -4.66 6.54 3.01 -1.26 -4.97 117.46 116.00 1tbx n PHE 6 Ca 0.05 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.18 1tbx n PHE 6 Cb 0.48 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.83 1tbx n PHE 6 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1tbx s PHE 7 N 0.00 2.88 0.85 1.38 0.40 -1.26 -5.13 117.98 117.10 1tbx s PHE 7 Ca 0.00 -0.26 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 1tbx s PHE 7 Cb 0.00 -1.79 0.10 0.00 0.51 0.00 0.00 43.02 41.84 1tbx s PHE 7 CO 0.00 0.08 1.14 0.71 0.70 0.00 0.00 175.22 177.85 1tbx s TYR 8 N -0.22 2.76 0.24 0.36 1.51 -1.26 -4.90 117.35 115.84 1tbx s TYR 8 Ca 0.02 0.88 -0.05 0.00 -1.01 0.00 0.00 57.07 56.90 1tbx s TYR 8 Cb -0.13 -3.36 0.35 0.00 -0.11 0.00 0.00 41.96 38.70 1tbx s TYR 8 CO 0.03 -2.01 1.84 -1.35 -1.11 0.00 0.00 175.55 172.94 1tbx h PRO 9 N -1.24 0.88 -0.98 -1.71 0.11 -1.95 -1.98 132.00 125.14 1tbx h PRO 9 Ca -0.48 -0.05 0.14 0.00 0.11 0.00 0.00 66.00 65.72 1tbx h PRO 9 Cb 1.32 -0.20 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 1tbx h PRO 9 CO 0.63 0.58 0.62 0.93 -0.21 0.00 0.00 178.00 180.55 1tbx h GLU 10 N 0.91 0.84 -0.08 1.05 5.08 -1.93 0.63 114.58 121.08 1tbx h GLU 10 Ca 0.38 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1tbx h GLU 10 Cb 0.22 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1tbx h GLU 10 CO -0.19 0.56 0.00 0.00 -1.00 0.00 0.00 179.01 178.38 1tbx h ALA 11 N 1.58 0.10 0.16 3.43 0.00 -1.74 -0.76 119.26 122.04 1tbx h ALA 11 Ca 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1tbx h ALA 11 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1tbx h ALA 11 CO -0.28 -0.23 -0.08 0.82 0.00 0.00 0.00 179.25 179.49 1tbx h ILE 12 N -0.14 0.85 -0.35 0.00 2.04 -1.00 -1.58 117.51 117.33 1tbx h ILE 12 Ca 0.02 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1tbx h ILE 12 Cb 0.33 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1tbx h ILE 12 CO 0.00 0.02 0.16 0.58 0.00 0.00 0.00 178.15 178.91 1tbx h VAL 13 N -0.25 0.96 -0.22 1.67 2.07 -0.95 0.24 116.25 119.77 1tbx h VAL 13 Ca -0.02 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1tbx h VAL 13 Cb 0.19 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1tbx h VAL 13 CO 0.04 0.06 -0.01 0.25 0.02 0.00 0.00 177.57 177.93 1tbx h LEU 14 N 0.33 -0.11 -0.58 2.57 5.85 -1.01 -2.13 115.31 120.22 1tbx h LEU 14 Ca 0.15 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1tbx h LEU 14 Cb 0.08 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1tbx h LEU 14 CO -0.12 -0.03 0.33 0.00 -0.34 0.00 0.00 178.44 178.28 1tbx h ALA 15 N 1.19 0.76 0.00 1.25 0.00 -0.40 -2.44 119.26 119.62 1tbx h ALA 15 Ca 0.10 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1tbx h ALA 15 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1tbx h ALA 15 CO -0.19 0.01 -0.26 1.88 0.00 0.00 0.00 179.25 180.69 1tbx h TYR 16 N 0.62 0.00 -0.08 0.00 -1.99 -0.58 -2.53 116.97 112.41 1tbx h TYR 16 Ca 0.25 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.86 1tbx h TYR 16 Cb 0.11 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 1tbx h TYR 16 CO -0.08 0.26 -0.50 1.25 -0.00 0.00 0.00 178.16 179.10 1tbx h LEU 17 N 0.00 0.23 -9.59 3.88 5.85 -0.89 -3.39 115.31 111.40 1tbx h LEU 17 Ca -0.00 -0.11 -0.57 0.00 0.84 0.00 0.00 57.88 58.03 1tbx h LEU 17 Cb 0.61 -0.07 0.07 0.00 0.37 0.00 0.00 40.66 41.65 1tbx h LEU 17 CO 0.03 0.69 0.74 0.00 -0.34 0.00 0.00 178.44 179.56 1tbx n TYR 18 N -3.95 2.33 -0.74 1.25 9.36 -0.96 0.12 117.16 124.57 1tbx n TYR 18 Ca -0.02 0.33 0.00 0.00 3.32 0.00 0.00 57.90 61.53 1tbx n TYR 18 Cb 0.54 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.73 1tbx n TYR 18 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1tbx n ASP 19 N 2.70 -0.37 -0.46 2.98 8.00 -1.26 -4.79 116.55 123.34 1tbx n ASP 19 Ca 0.13 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.70 1tbx n ASP 19 Cb 0.31 -1.47 0.19 0.00 -0.02 0.00 0.00 41.12 40.13 1tbx n ASP 19 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1tbx n ASN 20 N -0.04 1.87 -4.75 -2.24 5.03 0.32 -5.05 115.26 110.39 1tbx n ASN 20 Ca 0.00 -3.64 -0.41 0.00 0.87 0.00 0.00 54.58 51.39 1tbx n ASN 20 Cb 0.02 -0.50 -0.00 0.00 -1.02 0.00 0.00 39.78 38.28 1tbx n ASN 20 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1tbx n GLU 21 N -1.18 2.52 0.00 3.52 1.02 -1.13 -1.91 120.64 123.48 1tbx n GLU 21 Ca 0.18 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.20 1tbx n GLU 21 Cb 0.68 -2.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 1tbx n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tbx n GLY 22 N 0.54 2.47 3.74 0.62 0.00 -0.56 -5.03 105.19 106.98 1tbx n GLY 22 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1tbx n GLY 22 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1tbx s ILE 23 N -2.60 2.75 0.19 -0.61 2.07 -0.80 -4.64 121.20 117.56 1tbx s ILE 23 Ca 0.00 0.63 -0.32 0.00 -1.41 0.00 0.00 60.65 59.56 1tbx s ILE 23 Cb 0.00 -3.40 -0.11 0.00 0.13 0.00 0.00 42.46 39.07 1tbx s ILE 23 CO 0.00 0.10 1.72 0.00 -1.91 0.00 0.00 174.94 174.85 1tbx s ALA 24 N -0.03 3.90 0.20 1.50 0.00 -1.26 -1.97 121.76 124.11 1tbx s ALA 24 Ca 0.58 1.55 -0.11 0.00 0.00 0.00 0.00 51.96 53.98 1tbx s ALA 24 Cb -0.41 -3.70 0.26 0.00 0.00 0.00 0.00 23.12 19.27 1tbx s ALA 24 CO 0.43 -0.95 1.27 2.41 0.00 0.00 0.00 175.76 178.91 1tbx n THR 25 N 4.10 -0.40 0.05 0.00 -1.04 -0.13 -0.28 114.28 116.59 1tbx n THR 25 Ca 0.16 1.89 -0.00 0.00 -2.04 0.00 0.00 64.05 64.06 1tbx n THR 25 Cb 0.36 -2.54 0.29 0.00 -1.82 0.00 0.00 70.33 66.62 1tbx n THR 25 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1tbx h TYR 26 N 0.00 0.41 -0.30 -1.42 3.20 -1.90 -0.86 116.97 116.10 1tbx h TYR 26 Ca 0.32 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 1tbx h TYR 26 Cb 0.53 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1tbx h TYR 26 CO -0.68 0.53 -0.10 -0.44 -1.64 0.00 0.00 178.16 175.83 1tbx h ASP 27 N 0.35 0.47 -0.68 -2.11 3.32 -1.01 -0.57 116.42 116.19 1tbx h ASP 27 Ca 0.07 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1tbx h ASP 27 Cb 0.49 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1tbx h ASP 27 CO 0.03 0.62 0.23 0.25 -1.72 0.00 0.00 179.24 178.65 1tbx h LEU 28 N 0.46 0.98 -0.31 1.55 5.85 -0.27 -2.01 115.31 121.56 1tbx h LEU 28 Ca 0.09 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.66 1tbx h LEU 28 Cb 0.46 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1tbx h LEU 28 CO 0.03 0.92 0.01 0.22 -0.34 0.00 0.00 178.44 179.27 1tbx h TYR 29 N 0.99 0.01 -0.83 1.25 3.20 -0.59 -1.76 116.97 119.24 1tbx h TYR 29 Ca 0.22 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.21 1tbx h TYR 29 Cb 0.27 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 1tbx h TYR 29 CO 0.02 -0.04 0.48 0.87 -1.64 0.00 0.00 178.16 177.85 1tbx h LYS 30 N 0.11 0.78 0.05 1.82 1.57 -0.57 -0.69 116.57 119.63 1tbx h LYS 30 Ca 0.15 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1tbx h LYS 30 Cb 0.19 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1tbx h LYS 30 CO -0.24 0.51 -0.02 -0.22 -0.57 0.00 0.00 179.45 178.91 1tbx h LYS 31 N 0.80 -0.07 0.04 3.15 3.64 -1.06 -1.27 116.57 121.80 1tbx h LYS 31 Ca 0.40 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1tbx h LYS 31 Cb 0.37 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1tbx h LYS 31 CO -0.25 0.26 -0.17 0.28 -2.27 0.00 0.00 179.45 177.31 1tbx h VAL 32 N -0.40 0.60 -0.49 2.00 2.07 -1.18 -2.85 116.25 116.00 1tbx h VAL 32 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1tbx h VAL 32 Cb 0.36 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1tbx h VAL 32 CO 0.01 0.00 0.30 -1.13 0.02 0.00 0.00 177.57 176.77 1tbx h ASN 33 N -0.30 0.57 0.00 0.57 -1.24 -1.04 0.21 115.58 114.34 1tbx h ASN 33 Ca 0.04 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1tbx h ASN 33 Cb 0.35 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.26 1tbx h ASN 33 CO -0.13 0.43 0.15 0.00 -1.29 0.00 0.00 177.43 176.58 1tbx h ALA 34 N 1.67 1.13 0.00 1.57 0.00 -0.98 -3.01 119.26 119.64 1tbx h ALA 34 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1tbx h ALA 34 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1tbx h ALA 34 CO -0.03 -0.13 -0.79 0.39 0.00 0.00 0.00 179.25 178.69 1tbx n GLU 35 N -2.59 0.81 -3.61 0.00 -0.58 -0.22 -4.91 120.64 109.54 1tbx n GLU 35 Ca -0.02 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.45 1tbx n GLU 35 Cb 0.19 -0.89 -0.11 0.00 -0.57 0.00 0.00 31.44 30.06 1tbx n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1tbx n PHE 36 N -2.13 1.19 -1.10 -0.32 3.01 0.57 -5.13 117.46 113.54 1tbx n PHE 36 Ca 0.00 -3.81 -0.36 0.00 1.01 0.00 0.00 57.45 54.29 1tbx n PHE 36 Cb 0.39 -0.20 0.07 0.00 -0.01 0.00 0.00 39.48 39.73 1tbx n PHE 36 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1tbx n PRO 37 N 2.27 0.07 -3.61 -1.08 -0.02 -1.14 -4.32 135.00 127.18 1tbx n PRO 37 Ca 0.25 0.06 -0.20 0.00 -2.02 0.00 0.00 63.50 61.58 1tbx n PRO 37 Cb 0.42 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.28 1tbx n PRO 37 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1tbx s SER 39 N -1.46 5.30 0.14 2.55 1.04 -1.26 -4.99 113.70 115.02 1tbx s SER 39 Ca 0.58 -0.55 -0.13 0.00 0.48 0.00 0.00 55.95 56.33 1tbx s SER 39 Cb -0.30 -0.82 -0.01 0.00 0.10 0.00 0.00 66.02 64.99 1tbx s SER 39 CO 0.66 -0.51 1.55 0.71 0.98 0.00 0.00 173.24 176.63 1tbx h THR 40 N 1.07 1.27 -0.03 2.02 1.35 -2.00 0.34 112.91 116.93 1tbx h THR 40 Ca -0.43 -1.19 0.02 0.00 -0.55 0.00 0.00 66.41 64.25 1tbx h THR 40 Cb 1.26 1.15 -0.05 0.00 -1.73 0.00 0.00 68.15 68.78 1tbx h THR 40 CO 0.56 0.41 -0.43 0.00 -0.25 0.00 0.00 175.52 175.81 1tbx h ALA 41 N 0.87 -0.84 -0.95 6.62 0.00 -2.05 0.15 119.26 123.05 1tbx h ALA 41 Ca 0.11 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1tbx h ALA 41 Cb 0.62 0.88 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 1tbx h ALA 41 CO 0.04 -0.98 0.61 0.00 0.00 0.00 0.00 179.25 178.92 1tbx h THR 42 N -0.51 1.11 -0.21 0.00 1.03 -1.96 -0.98 112.91 111.39 1tbx h THR 42 Ca 0.01 -0.39 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 1tbx h THR 42 Cb 0.56 -0.14 -0.01 0.00 -1.07 0.00 0.00 68.15 67.50 1tbx h THR 42 CO -0.31 0.21 0.13 0.15 -0.01 0.00 0.00 175.52 175.69 1tbx h PHE 43 N 1.14 0.27 -0.21 0.00 3.57 0.23 -2.23 116.94 119.70 1tbx h PHE 43 Ca 0.40 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.81 1tbx h PHE 43 Cb 0.11 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1tbx h PHE 43 CO -0.01 0.20 -0.25 1.88 -2.23 0.00 0.00 178.31 177.89 1tbx h TYR 44 N 0.26 0.44 -0.72 0.41 -1.99 -0.46 -0.81 116.97 114.12 1tbx h TYR 44 Ca 0.08 -0.09 0.03 0.00 2.00 0.00 0.00 58.73 60.75 1tbx h TYR 44 Cb 0.00 -0.11 -0.05 0.00 2.00 0.00 0.00 36.73 38.57 1tbx h TYR 44 CO -0.05 0.62 0.44 -0.44 -0.00 0.00 0.00 178.16 178.73 1tbx h ASP 45 N 0.36 0.72 -0.61 3.88 5.19 -0.87 0.14 116.42 125.24 1tbx h ASP 45 Ca 0.05 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.38 1tbx h ASP 45 Cb 0.64 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1tbx h ASP 45 CO 0.05 0.49 0.05 0.00 -3.12 0.00 0.00 179.24 176.71 1tbx h ALA 46 N 1.31 0.82 -0.31 3.45 0.00 -0.77 -1.24 119.26 122.52 1tbx h ALA 46 Ca 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1tbx h ALA 46 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1tbx h ALA 46 CO -0.12 0.61 0.16 -0.22 0.00 0.00 0.00 179.25 179.69 1tbx h LYS 47 N 0.94 0.43 -0.47 0.00 3.64 -0.33 -1.50 116.57 119.29 1tbx h LYS 47 Ca 0.18 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1tbx h LYS 47 Cb 0.49 -0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.14 1tbx h LYS 47 CO 0.02 0.38 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.27 1tbx h LYS 48 N 0.37 0.02 -0.01 1.90 3.64 -0.47 -1.61 116.57 120.41 1tbx h LYS 48 Ca 0.11 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1tbx h LYS 48 Cb 0.07 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1tbx h LYS 48 CO -0.02 0.01 0.00 0.35 -2.27 0.00 0.00 179.45 177.53 1tbx h PHE 49 N 0.02 0.01 -0.12 1.91 3.57 -0.76 -0.01 116.94 121.57 1tbx h PHE 49 Ca 0.23 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 1tbx h PHE 49 Cb 0.35 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1tbx h PHE 49 CO -0.38 0.23 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.71 1tbx h LEU 50 N -0.21 0.18 -0.23 0.59 3.38 -0.95 0.28 115.31 118.34 1tbx h LEU 50 Ca 0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1tbx h LEU 50 Cb 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1tbx h LEU 50 CO -0.00 0.35 -0.02 0.40 0.09 0.00 0.00 178.44 179.26 1tbx h ILE 51 N 0.18 1.27 -0.28 1.22 2.04 -1.08 0.11 117.51 120.97 1tbx h ILE 51 Ca 0.04 -0.95 -0.10 0.00 1.00 0.00 0.00 64.86 64.85 1tbx h ILE 51 Cb 0.38 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1tbx h ILE 51 CO 0.02 0.30 -0.24 1.56 0.00 0.00 0.00 178.15 179.79 1tbx h GLN 52 N 0.19 0.52 -0.45 2.37 4.20 0.77 -2.21 115.11 120.50 1tbx h GLN 52 Ca 0.06 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1tbx h GLN 52 Cb 0.44 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1tbx h GLN 52 CO 0.02 0.72 0.00 0.39 -0.67 0.00 0.00 178.83 179.29 1tbx n GLU 53 N -4.13 2.08 -1.71 1.46 -0.58 0.80 -4.96 120.64 113.61 1tbx n GLU 53 Ca -0.00 -1.67 -0.04 0.00 -0.42 0.00 0.00 57.16 55.02 1tbx n GLU 53 Cb 0.40 -1.37 -0.01 0.00 -0.57 0.00 0.00 31.44 29.89 1tbx n GLU 53 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tbx n GLY 54 N 1.25 0.39 0.08 0.62 0.00 -0.81 -4.93 105.19 101.80 1tbx n GLY 54 Ca 0.16 -0.78 -0.02 0.00 0.00 0.00 0.00 46.02 45.38 1tbx n GLY 54 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tbx n PHE 55 N -3.57 0.63 -4.10 1.61 3.01 0.34 -4.57 117.46 110.81 1tbx n PHE 55 Ca -0.05 0.21 -0.14 0.00 1.01 0.00 0.00 57.45 58.48 1tbx n PHE 55 Cb 0.38 -1.00 -0.12 0.00 -0.01 0.00 0.00 39.48 38.73 1tbx n PHE 55 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1tbx s VAL 56 N -2.87 0.56 -0.04 -4.37 1.01 -0.96 -1.37 120.40 112.36 1tbx s VAL 56 Ca -0.05 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1tbx s VAL 56 Cb 0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1tbx s VAL 56 CO 0.83 -0.26 -0.23 -0.54 0.00 0.00 0.00 175.10 174.89 1tbx s LYS 57 N -1.28 2.31 -0.20 2.72 1.02 -0.02 -4.15 119.74 120.15 1tbx s LYS 57 Ca -0.07 -0.88 -0.02 0.00 0.02 0.00 0.00 55.97 55.02 1tbx s LYS 57 Cb -0.08 -2.14 -0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1tbx s LYS 57 CO 0.00 0.52 -0.09 -2.00 -0.92 0.00 0.00 175.35 172.86 1tbx s GLU 58 N -0.50 3.29 0.05 1.68 2.12 -1.26 -0.69 118.70 123.39 1tbx s GLU 58 Ca 0.06 -0.68 0.07 0.00 0.36 0.00 0.00 54.97 54.79 1tbx s GLU 58 Cb -0.11 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.39 1tbx s GLU 58 CO 0.01 -0.14 -0.18 1.03 -0.54 0.00 0.00 175.26 175.43 1tbx s ARG 59 N 1.28 2.05 -0.73 4.30 0.52 -0.21 -4.92 118.95 121.24 1tbx s ARG 59 Ca 0.03 -1.00 -0.23 0.00 -0.52 0.00 0.00 55.73 54.01 1tbx s ARG 59 Cb -0.14 -2.19 0.07 0.00 0.52 0.00 0.00 34.95 33.21 1tbx s ARG 59 CO -0.04 0.53 1.08 -1.14 0.02 0.00 0.00 175.30 175.75 1tbx s GLN 60 N -1.53 3.21 0.01 3.54 2.00 -1.26 0.34 119.66 125.98 1tbx s GLN 60 Ca 0.15 -0.83 0.05 0.00 -2.00 0.00 0.00 55.36 52.73 1tbx s GLN 60 Cb -0.11 -4.37 -0.02 0.00 0.80 0.00 0.00 33.01 29.31 1tbx s GLN 60 CO 0.06 -1.91 -0.16 -1.21 -0.50 0.00 0.00 175.29 171.57 1tbx s GLU 61 N 4.33 1.20 -1.34 1.67 2.02 0.51 -4.87 118.70 122.22 1tbx s GLU 61 Ca 0.28 -0.70 -0.04 0.00 0.02 0.00 0.00 54.97 54.53 1tbx s GLU 61 Cb -0.12 -1.20 -0.00 0.00 0.10 0.00 0.00 34.13 32.90 1tbx s GLU 61 CO 0.08 0.32 0.53 0.54 0.02 0.00 0.00 175.26 176.74 1tbx n ARG 62 N 2.29 -3.13 -2.36 1.61 5.12 -1.26 -1.91 116.66 117.02 1tbx n ARG 62 Ca -0.16 0.44 -0.21 0.00 -1.93 0.00 0.00 57.85 55.99 1tbx n ARG 62 Cb 0.54 -4.53 -0.01 0.00 -1.16 0.00 0.00 32.46 27.30 1tbx n ARG 62 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1tbx n GLY 63 N -1.87 -0.37 3.35 -0.13 0.00 -1.26 -4.98 105.19 99.92 1tbx n GLY 63 Ca -0.27 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 1tbx n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tbx s GLU 64 N -4.98 1.09 -0.22 1.61 8.01 -0.80 -5.15 118.70 118.26 1tbx s GLU 64 Ca 0.00 -0.56 -0.19 0.00 0.01 0.00 0.00 54.97 54.23 1tbx s GLU 64 Cb 0.00 0.49 -0.03 0.00 -4.31 0.00 0.00 34.13 30.28 1tbx s GLU 64 CO 0.00 -0.43 0.54 0.15 0.01 0.00 0.00 175.26 175.53 1tbx s LYS 65 N -3.49 4.16 0.25 1.61 1.02 -1.26 -0.36 119.74 121.67 1tbx s LYS 65 Ca 0.01 0.43 0.09 0.00 0.02 0.00 0.00 55.97 56.51 1tbx s LYS 65 Cb 0.01 -3.59 -0.05 0.00 -0.52 0.00 0.00 37.83 33.68 1tbx s LYS 65 CO -0.10 -0.22 -0.15 1.03 -0.92 0.00 0.00 175.35 174.99 1tbx s ARG 66 N 1.87 1.51 -0.11 1.68 0.52 0.15 -0.96 118.95 123.62 1tbx s ARG 66 Ca 0.24 -1.70 0.02 0.00 -0.52 0.00 0.00 55.73 53.76 1tbx s ARG 66 Cb -0.15 -1.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.92 1tbx s ARG 66 CO 0.09 0.21 -0.16 -0.51 0.02 0.00 0.00 175.30 174.95 1tbx s LEU 67 N -3.42 2.54 0.23 2.53 1.43 -0.83 -1.05 118.68 120.11 1tbx s LEU 67 Ca 0.27 -0.38 0.10 0.00 -1.03 0.00 0.00 54.13 53.09 1tbx s LEU 67 Cb -0.01 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 1tbx s LEU 67 CO 0.11 0.19 -0.18 -0.31 0.23 0.00 0.00 176.35 176.39 1tbx s TYR 68 N 0.20 1.98 0.35 0.29 1.51 0.13 -1.49 117.35 120.32 1tbx s TYR 68 Ca -0.10 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.49 1tbx s TYR 68 Cb -0.16 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1tbx s TYR 68 CO 0.06 0.50 0.58 -0.51 -1.11 0.00 0.00 175.55 175.07 1tbx s LEU 69 N -3.27 3.97 0.35 -1.29 1.43 -1.26 -0.84 118.68 117.78 1tbx s LEU 69 Ca 0.24 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 54.02 1tbx s LEU 69 Cb -0.03 -3.47 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1tbx s LEU 69 CO 0.10 -0.30 0.39 0.28 0.23 0.00 0.00 176.35 177.05 1tbx s THR 70 N -2.30 3.57 0.15 5.49 -1.32 -0.47 -4.73 115.64 116.03 1tbx s THR 70 Ca 0.42 -1.21 -0.27 0.00 -1.21 0.00 0.00 61.69 59.42 1tbx s THR 70 Cb -0.10 -3.22 -0.01 0.00 -1.51 0.00 0.00 72.50 67.66 1tbx s THR 70 CO 0.35 -0.13 1.58 -0.33 -2.21 0.00 0.00 174.62 173.88 1tbx h GLU 71 N 1.05 -0.35 0.00 7.08 5.08 -1.88 0.41 114.58 125.97 1tbx h GLU 71 Ca -0.44 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 1tbx h GLU 71 Cb 1.26 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1tbx h GLU 71 CO 0.55 -0.23 -0.27 1.57 -1.00 0.00 0.00 179.01 179.63 1tbx h LYS 72 N -0.36 0.00 -0.27 2.33 2.10 -1.90 -2.54 116.57 115.94 1tbx h LYS 72 Ca 0.13 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.65 1tbx h LYS 72 Cb 0.59 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1tbx h LYS 72 CO -0.52 0.27 -0.31 0.78 -2.00 0.00 0.00 179.45 177.66 1tbx h GLY 73 N 1.18 0.74 0.98 0.07 0.00 -1.50 -2.42 103.07 102.12 1tbx h GLY 73 Ca -0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 1tbx h GLY 73 CO 0.03 0.71 0.27 0.50 0.00 0.00 0.00 176.54 178.05 1tbx h LYS 74 N 0.41 0.68 0.27 4.80 1.57 0.09 0.39 116.57 124.78 1tbx h LYS 74 Ca 0.04 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1tbx h LYS 74 Cb 0.89 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1tbx h LYS 74 CO 0.07 0.54 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.29 1tbx h LEU 75 N 0.65 -0.30 -0.07 2.94 3.38 -1.51 -3.12 115.31 117.28 1tbx h LEU 75 Ca 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1tbx h LEU 75 Cb 0.06 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1tbx h LEU 75 CO -0.03 -0.18 0.01 0.15 0.09 0.00 0.00 178.44 178.48 1tbx h PHE 76 N -0.40 0.12 -0.97 1.13 3.57 -1.19 -3.13 116.94 116.09 1tbx h PHE 76 Ca -0.04 -0.02 0.30 0.00 3.53 0.00 0.00 57.97 61.74 1tbx h PHE 76 Cb 0.31 -0.03 -0.15 0.00 2.79 0.00 0.00 35.95 38.86 1tbx h PHE 76 CO -0.05 0.36 0.44 0.00 -2.23 0.00 0.00 178.31 176.84 1tbx h ALA 77 N 0.74 1.73 -0.04 2.41 0.00 -0.27 -0.99 119.26 122.84 1tbx h ALA 77 Ca 0.02 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1tbx h ALA 77 Cb 0.31 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1tbx h ALA 77 CO 0.00 -0.57 0.02 0.82 0.00 0.00 0.00 179.25 179.52 1tbx h ILE 78 N 0.25 1.06 -0.06 0.00 2.04 -1.48 0.13 117.51 119.46 1tbx h ILE 78 Ca 0.68 -0.18 -0.13 0.00 1.00 0.00 0.00 64.86 66.23 1tbx h ILE 78 Cb 1.53 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 1tbx h ILE 78 CO -0.65 0.05 -0.56 0.77 0.00 0.00 0.00 178.15 177.76 1tbx h SER 79 N -0.02 0.19 -0.55 1.72 4.64 -1.37 -2.61 113.55 115.55 1tbx h SER 79 Ca 0.01 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 1tbx h SER 79 Cb 0.07 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1tbx h SER 79 CO -0.00 0.72 0.14 -0.07 -0.87 0.00 0.00 176.83 176.74 1tbx h LEU 80 N 0.13 0.83 -0.73 5.97 3.38 -0.98 -2.88 115.31 121.03 1tbx h LEU 80 Ca -0.00 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1tbx h LEU 80 Cb 1.03 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 1tbx h LEU 80 CO 0.08 0.85 0.41 0.50 0.09 0.00 0.00 178.44 180.37 1tbx h LYS 81 N 0.78 0.72 -0.24 1.13 1.63 -0.46 -0.30 116.57 119.83 1tbx h LYS 81 Ca 0.17 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 1tbx h LYS 81 Cb 0.34 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1tbx h LYS 81 CO 0.00 0.48 0.04 0.00 -3.45 0.00 0.00 179.45 176.51 1tbx h THR 82 N 0.74 1.23 0.37 1.00 1.03 -1.47 0.24 112.91 116.05 1tbx h THR 82 Ca 0.33 -0.77 -0.00 0.00 -0.01 0.00 0.00 66.41 65.96 1tbx h THR 82 Cb 0.24 1.28 -0.03 0.00 -1.07 0.00 0.00 68.15 68.57 1tbx h THR 82 CO -0.20 0.24 -0.45 0.00 -0.01 0.00 0.00 175.52 175.11 1tbx h ALA 83 N 0.85 -0.94 -0.78 0.00 0.00 -1.24 -0.81 119.26 116.34 1tbx h ALA 83 Ca 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1tbx h ALA 83 Cb 0.33 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1tbx h ALA 83 CO 0.01 -1.08 0.50 0.82 0.00 0.00 0.00 179.25 179.50 1tbx h ILE 84 N -0.85 1.13 -0.91 0.00 2.04 -0.99 0.91 117.51 118.85 1tbx h ILE 84 Ca -0.03 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1tbx h ILE 84 Cb 0.77 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1tbx h ILE 84 CO -0.11 0.18 0.52 -0.08 0.00 0.00 0.00 178.15 178.66 1tbx h GLU 85 N 0.98 1.24 -0.28 2.37 4.57 -0.49 0.24 114.58 123.21 1tbx h GLU 85 Ca 0.31 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 58.24 1tbx h GLU 85 Cb -0.01 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.32 1tbx h GLU 85 CO -0.10 0.89 -0.30 1.15 -1.18 0.00 0.00 179.01 179.46 1tbx h THR 86 N 1.26 1.30 0.05 0.32 2.02 -0.61 -1.57 112.91 115.68 1tbx h THR 86 Ca 0.32 -1.47 0.02 0.00 0.77 0.00 0.00 66.41 66.06 1tbx h THR 86 Cb -0.02 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 1tbx h THR 86 CO -0.06 0.47 -0.45 0.22 0.37 0.00 0.00 175.52 176.07 1tbx h TYR 87 N 0.44 -1.28 -0.74 3.16 3.20 -0.28 0.21 116.97 121.69 1tbx h TYR 87 Ca 0.04 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.11 1tbx h TYR 87 Cb 0.87 0.55 -0.13 0.00 1.54 0.00 0.00 36.73 39.56 1tbx h TYR 87 CO 0.07 -0.53 -0.05 0.87 -1.64 0.00 0.00 178.16 176.88 1tbx h LYS 88 N -0.64 0.07 0.00 1.82 1.57 -0.44 0.35 116.57 119.31 1tbx h LYS 88 Ca 0.03 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1tbx h LYS 88 Cb 0.69 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1tbx h LYS 88 CO -0.30 0.04 -0.22 1.96 -0.57 0.00 0.00 179.45 180.37 1tbx h GLN 89 N 0.07 0.00 0.00 3.15 1.08 -0.77 -0.41 115.11 118.22 1tbx h GLN 89 Ca 0.39 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.59 1tbx h GLN 89 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1tbx h GLN 89 CO -0.69 0.22 -0.00 0.82 -0.95 0.00 0.00 178.83 178.23 1tbx h ILE 90 N 0.00 1.61 -0.09 2.54 2.04 0.67 -1.24 117.51 123.05 1tbx h ILE 90 Ca -0.00 -1.82 0.01 0.00 1.00 0.00 0.00 64.86 64.06 1tbx h ILE 90 Cb 0.62 2.85 -0.03 0.00 -0.74 0.00 0.00 36.82 39.52 1tbx h ILE 90 CO 0.03 0.47 -0.23 0.11 0.00 0.00 0.00 178.15 178.53 1tbx h LYS 91 N -0.78 -0.22 -0.72 2.37 1.79 -0.86 -1.76 116.57 116.40 1tbx h LYS 91 Ca -0.00 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.60 1tbx h LYS 91 Cb 0.77 0.05 -0.12 0.00 -1.58 0.00 0.00 32.23 31.35 1tbx h LYS 91 CO 0.00 -0.15 -0.39 -0.22 -1.08 0.00 0.00 179.45 177.62 1tbx h LYS 92 N -0.23 -0.12 -1.05 3.15 3.64 -1.15 0.12 116.57 120.92 1tbx h LYS 92 Ca 0.02 0.01 0.27 0.00 -1.27 0.00 0.00 60.65 59.68 1tbx h LYS 92 Cb 0.28 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.03 1tbx h LYS 92 CO -0.20 -0.08 0.67 0.00 -2.27 0.00 0.00 179.45 177.57 1tbx h ARG 93 N -0.13 0.38 -0.28 1.90 3.08 -0.87 -3.15 114.38 115.32 1tbx h ARG 93 Ca 0.25 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1tbx h ARG 93 Cb 0.56 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1tbx h ARG 93 CO -0.78 0.25 0.00 0.72 -1.07 0.00 0.00 179.97 179.09 1tbx n HIS 94 N -4.65 0.37 -0.07 3.04 8.25 0.36 -4.77 115.22 117.75 1tbx n HIS 94 Ca 0.26 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1tbx n HIS 94 Cb 0.89 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.98 1tbx n HIS 94 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1tbx n HIS 95 N 0.38 0.00 -1.11 4.41 8.25 -0.98 -5.04 115.22 121.12 1tbx n HIS 95 Ca 0.10 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1tbx n HIS 95 Cb 0.39 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.03 1tbx n HIS 95 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70