#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pya h GLU 2 N 0.00 0.17 -0.96 -1.46 4.57 -2.07 -2.17 114.58 112.66 1pya h GLU 2 Ca 0.00 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1pya h GLU 2 Cb 0.00 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.49 1pya h GLU 2 CO 0.00 0.12 0.62 1.25 -1.18 0.00 0.00 179.01 179.82 1pya h LEU 3 N 0.18 1.01 -1.66 1.64 5.85 -2.06 -1.90 115.31 118.38 1pya h LEU 3 Ca 0.05 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1pya h LEU 3 Cb -0.01 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1pya h LEU 3 CO -0.01 0.67 0.24 0.44 -0.34 0.00 0.00 178.44 179.43 1pya h ASP 4 N 1.16 0.40 -0.62 1.25 3.32 -1.82 -0.92 116.42 119.19 1pya h ASP 4 Ca 0.40 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.49 1pya h ASP 4 Cb 0.09 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1pya h ASP 4 CO -0.15 0.29 0.35 0.00 -1.72 0.00 0.00 179.24 178.01 1pya h ALA 5 N 1.78 0.81 -0.23 3.45 0.00 -1.43 0.79 119.26 124.44 1pya h ALA 5 Ca 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1pya h ALA 5 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pya h ALA 5 CO -0.03 0.04 -0.09 0.87 0.00 0.00 0.00 179.25 180.04 1pya h LYS 6 N 0.66 0.47 -0.22 0.00 1.57 -1.20 -2.92 116.57 114.93 1pya h LYS 6 Ca 0.27 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1pya h LYS 6 Cb 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1pya h LYS 6 CO -0.16 0.73 0.04 -0.07 -0.57 0.00 0.00 179.45 179.42 1pya h LEU 7 N 0.19 0.35 -1.78 2.94 4.07 -0.98 -2.97 115.31 117.12 1pya h LEU 7 Ca 0.05 -0.26 0.01 0.00 0.08 0.00 0.00 57.88 57.77 1pya h LEU 7 Cb 0.58 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1pya h LEU 7 CO 0.03 0.52 0.17 0.78 -1.08 0.00 0.00 178.44 178.86 1pya h ASN 8 N 0.17 0.25 0.04 -0.43 -0.26 -0.47 0.12 115.58 115.01 1pya h ASN 8 Ca 0.07 -0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1pya h ASN 8 Cb 0.32 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.52 1pya h ASN 8 CO 0.00 0.18 -0.02 0.11 -1.06 0.00 0.00 177.43 176.64 1pya h LYS 9 N 0.30 0.00 -0.18 0.81 1.79 -1.35 -0.10 116.57 117.84 1pya h LYS 9 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1pya h LYS 9 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1pya h LYS 9 CO -0.02 0.02 0.00 1.28 -1.08 0.00 0.00 179.45 179.65 1pya n LEU 10 N -3.95 2.15 0.00 2.94 4.77 0.32 -4.91 117.00 118.32 1pya n LEU 10 Ca -0.03 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1pya n LEU 10 Cb 0.10 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1pya n LEU 10 CO 0.29 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1pya n GLY 11 N 1.24 0.72 3.88 -0.72 0.00 -0.05 -5.06 105.19 105.20 1pya n GLY 11 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1pya n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pya s VAL 12 N -2.41 5.48 0.17 1.61 1.01 -0.61 -4.95 120.40 120.70 1pya s VAL 12 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.16 1pya s VAL 12 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1pya s VAL 12 CO 0.00 0.56 -0.11 1.51 0.00 0.00 0.00 175.10 177.06 1pya s ASP 13 N -1.21 2.01 -0.23 3.32 1.47 -1.26 -2.38 116.67 118.39 1pya s ASP 13 Ca 0.17 -1.03 0.13 0.00 1.18 0.00 0.00 52.55 53.00 1pya s ASP 13 Cb -0.12 -0.04 0.47 0.00 -0.34 0.00 0.00 42.92 42.89 1pya s ASP 13 CO 0.07 -0.30 1.39 0.54 0.68 0.00 0.00 175.17 177.55 1pya n ARG 14 N -0.26 2.04 -2.69 2.11 1.74 -1.26 -3.68 116.66 114.66 1pya n ARG 14 Ca -0.09 -3.02 -0.42 0.00 -0.77 0.00 0.00 57.85 53.55 1pya n ARG 14 Cb 0.61 -1.76 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1pya n ARG 14 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pya s ILE 15 N -3.08 4.68 -0.37 0.55 1.01 -1.26 -4.46 121.20 118.27 1pya s ILE 15 Ca 0.42 2.00 0.04 0.00 0.00 0.00 0.00 60.65 63.11 1pya s ILE 15 Cb 0.37 -4.28 0.16 0.00 0.01 0.00 0.00 42.46 38.72 1pya s ILE 15 CO 0.02 0.20 0.44 0.00 0.00 0.00 0.00 174.94 175.61 1pya s ALA 16 N 0.71 -1.02 -0.09 9.38 0.00 -1.24 -0.61 121.76 128.89 1pya s ALA 16 Ca 0.51 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.99 1pya s ALA 16 Cb -0.22 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 1pya s ALA 16 CO 0.29 -2.10 -0.15 0.42 0.00 0.00 0.00 175.76 174.21 1pya s ILE 17 N 1.70 2.91 -0.05 0.00 -1.09 -0.25 -4.94 121.20 119.48 1pya s ILE 17 Ca 0.16 -0.75 -0.14 0.00 -2.23 0.00 0.00 60.65 57.69 1pya s ILE 17 Cb -0.12 -2.17 -0.05 0.00 -1.58 0.00 0.00 42.46 38.54 1pya s ILE 17 CO -0.08 0.56 0.36 -0.55 -1.23 0.00 0.00 174.94 174.00 1pya s SER 18 N -0.16 6.69 0.00 3.58 0.15 -1.26 -1.21 113.70 121.48 1pya s SER 18 Ca -0.01 0.82 0.30 0.00 0.70 0.00 0.00 55.95 57.76 1pya s SER 18 Cb -0.13 -2.22 1.54 0.00 -1.71 0.00 0.00 66.02 63.49 1pya s SER 18 CO 0.03 0.27 2.03 -0.81 1.20 0.00 0.00 173.24 175.96 1pya n PRO 19 N 2.29 1.05 -2.71 5.44 -0.04 -1.26 -4.92 135.00 134.85 1pya n PRO 19 Ca -0.14 -0.27 -0.31 0.00 -0.04 0.00 0.00 63.50 62.74 1pya n PRO 19 Cb 0.53 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 1pya n PRO 19 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pya s TYR 20 N -2.14 3.45 0.23 0.54 2.02 -1.26 -5.06 117.35 115.13 1pya s TYR 20 Ca 0.40 1.21 -0.30 0.00 -0.37 0.00 0.00 57.07 58.02 1pya s TYR 20 Cb 0.21 -2.58 -0.09 0.00 -0.40 0.00 0.00 41.96 39.10 1pya s TYR 20 CO 0.39 -0.18 1.24 0.21 -1.57 0.00 0.00 175.55 175.64 1pya s LYS 21 N -3.85 4.45 0.00 -0.62 2.47 -1.26 -4.45 119.74 116.48 1pya s LYS 21 Ca 0.54 1.99 0.00 0.00 -1.56 0.00 0.00 55.97 56.94 1pya s LYS 21 Cb -0.10 -3.19 0.00 0.00 -1.46 0.00 0.00 37.83 33.08 1pya s LYS 21 CO 0.30 -0.12 0.00 0.94 0.16 0.00 0.00 175.35 176.63 1pya n GLN 22 N 2.07 0.00 -2.85 4.03 7.27 -1.26 -4.92 117.38 121.72 1pya n GLN 22 Ca 0.03 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.70 1pya n GLN 22 Cb 0.43 -0.02 -0.05 0.00 2.41 0.00 0.00 30.24 33.02 1pya n GLN 22 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1pya s TRP 23 N 0.00 3.79 0.87 3.69 0.51 -1.26 -5.08 118.94 121.46 1pya s TRP 23 Ca 0.00 1.66 -0.12 0.00 -2.12 0.00 0.00 56.10 55.52 1pya s TRP 23 Cb 0.00 -2.93 0.11 0.00 -0.81 0.00 0.00 33.47 29.84 1pya s TRP 23 CO 0.00 0.27 1.13 0.95 -0.51 0.00 0.00 176.95 178.78 1pya s THR 24 N -0.15 2.33 0.20 2.01 -4.23 -1.26 -4.60 115.64 109.94 1pya s THR 24 Ca 0.42 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 61.04 1pya s THR 24 Cb -0.22 -2.88 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1pya s THR 24 CO 0.27 -0.14 0.12 -0.13 -0.54 0.00 0.00 174.62 174.20 1pya s ARG 25 N -5.26 1.21 0.27 3.99 0.52 -1.26 -5.06 118.95 113.36 1pya s ARG 25 Ca 0.63 -1.64 -0.05 0.00 -0.52 0.00 0.00 55.73 54.15 1pya s ARG 25 Cb -0.14 0.19 -0.05 0.00 0.52 0.00 0.00 34.95 35.46 1pya s ARG 25 CO 0.53 -0.37 0.53 0.20 0.02 0.00 0.00 175.30 176.22 1pya s GLY 26 N -3.18 1.91 0.32 -3.53 0.00 -1.26 -5.03 107.32 96.56 1pya s GLY 26 Ca 0.38 -0.56 -0.28 0.00 0.00 0.00 0.00 44.72 44.26 1pya s GLY 26 CO 0.12 -0.45 1.27 2.98 0.00 0.00 0.00 173.10 177.01 1pya n TYR 27 N -0.79 2.14 -0.71 1.90 9.36 -1.26 -2.26 117.16 125.53 1pya n TYR 27 Ca -0.02 0.56 0.00 0.00 3.32 0.00 0.00 57.90 61.76 1pya n TYR 27 Cb 0.54 -2.40 0.00 0.00 -0.63 0.00 0.00 39.34 36.85 1pya n TYR 27 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1pya n MET 28 N 0.77 0.00 -2.35 2.98 2.81 -1.26 -5.05 117.12 115.02 1pya n MET 28 Ca 0.06 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.55 1pya n MET 28 Cb 0.35 -2.64 -0.04 0.00 -0.71 0.00 0.00 33.22 30.18 1pya n MET 28 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1pya s GLU 29 N -0.13 4.54 0.25 0.03 2.02 -0.96 -4.96 118.70 119.48 1pya s GLU 29 Ca 0.00 1.95 -0.31 0.00 0.02 0.00 0.00 54.97 56.63 1pya s GLU 29 Cb 0.00 -3.15 -0.12 0.00 0.10 0.00 0.00 34.13 30.96 1pya s GLU 29 CO 0.00 0.06 1.64 -0.35 0.02 0.00 0.00 175.26 176.64 1pya n PRO 30 N 1.15 2.69 0.00 0.39 -0.04 -1.26 -3.29 135.00 134.63 1pya n PRO 30 Ca -0.00 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1pya n PRO 30 Cb 0.44 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 1pya n PRO 30 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pya n GLY 31 N 2.99 0.88 3.77 0.55 0.00 -1.26 -5.09 105.19 107.04 1pya n GLY 31 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1pya n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pya s ASN 32 N -1.79 5.74 -0.19 1.61 0.01 -1.21 -4.41 114.94 114.70 1pya s ASN 32 Ca 0.00 2.17 -0.07 0.00 -0.71 0.00 0.00 52.86 54.25 1pya s ASN 32 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 1pya s ASN 32 CO 0.00 -1.21 0.05 -0.63 -1.51 0.00 0.00 177.10 173.80 1pya s ILE 33 N -1.78 4.55 0.00 0.60 1.09 -0.35 -4.96 121.20 120.35 1pya s ILE 33 Ca 0.73 -0.11 0.00 0.00 -1.10 0.00 0.00 60.65 60.16 1pya s ILE 33 Cb -0.24 -3.06 0.00 0.00 -1.06 0.00 0.00 42.46 38.10 1pya s ILE 33 CO 0.27 0.44 0.00 0.61 -0.10 0.00 0.00 174.94 176.16 1pya n GLY 34 N 3.81 1.66 0.41 6.18 0.00 -1.26 -1.09 105.19 114.90 1pya n GLY 34 Ca -0.17 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 43.93 1pya n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pya n ASN 35 N 0.00 1.86 -1.31 1.61 3.02 -0.98 -4.81 115.26 114.65 1pya n ASN 35 Ca 0.00 -3.36 0.00 0.00 -0.03 0.00 0.00 54.58 51.19 1pya n ASN 35 Cb 0.00 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 1pya n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pya n GLY 36 N -1.11 4.13 3.45 7.41 0.00 0.22 -4.80 105.19 114.47 1pya n GLY 36 Ca 0.16 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 1pya n GLY 36 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pya s TYR 37 N 0.31 -0.20 0.01 1.61 -0.85 -1.26 -4.60 117.35 112.37 1pya s TYR 37 Ca 0.00 -0.11 0.07 0.00 -0.52 0.00 0.00 57.07 56.51 1pya s TYR 37 Cb 0.00 0.38 -0.02 0.00 0.38 0.00 0.00 41.96 42.70 1pya s TYR 37 CO 0.00 -0.85 -0.22 0.08 -1.52 0.00 0.00 175.55 173.04 1pya s VAL 38 N -3.84 1.76 0.33 -3.49 1.01 -1.26 -4.96 120.40 109.96 1pya s VAL 38 Ca 0.06 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.02 1pya s VAL 38 Cb -0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1pya s VAL 38 CO -0.07 0.40 0.19 0.28 0.00 0.00 0.00 175.10 175.90 1pya s THR 39 N -0.63 0.25 0.16 3.92 -1.32 -1.26 -5.02 115.64 111.73 1pya s THR 39 Ca 0.09 -2.00 -0.16 0.00 -1.21 0.00 0.00 61.69 58.40 1pya s THR 39 Cb -0.09 -2.47 0.06 0.00 -1.51 0.00 0.00 72.50 68.49 1pya s THR 39 CO 0.00 0.00 0.78 0.61 -2.21 0.00 0.00 174.62 173.80 1pya n GLY 40 N -0.65 0.80 3.27 6.08 0.00 -1.26 -5.17 105.19 108.26 1pya n GLY 40 Ca 0.02 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 1pya n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pya s LEU 41 N 0.00 2.46 -0.07 0.99 1.02 -1.26 -5.10 118.68 116.72 1pya s LEU 41 Ca 0.17 -0.46 -0.01 0.00 0.02 0.00 0.00 54.13 53.85 1pya s LEU 41 Cb -0.02 -1.55 0.03 0.00 0.02 0.00 0.00 46.19 44.66 1pya s LEU 41 CO 0.05 0.10 -0.01 -0.75 0.02 0.00 0.00 176.35 175.75 1pya s LYS 42 N 0.73 0.73 -0.08 1.70 2.20 -1.26 -5.10 119.74 118.65 1pya s LYS 42 Ca -0.07 0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.58 1pya s LYS 42 Cb -0.16 -0.98 0.02 0.00 -1.51 0.00 0.00 37.83 35.20 1pya s LYS 42 CO 0.01 -0.25 -0.09 0.54 -0.36 0.00 0.00 175.35 175.21 1pya s VAL 43 N 1.70 0.97 0.15 4.02 0.11 -1.26 -5.14 120.40 120.95 1pya s VAL 43 Ca 0.01 -0.32 -0.19 0.00 -2.93 0.00 0.00 61.98 58.55 1pya s VAL 43 Cb -0.13 -0.95 0.05 0.00 -1.53 0.00 0.00 36.38 33.82 1pya s VAL 43 CO -0.04 0.34 0.51 -1.81 -3.33 0.00 0.00 175.10 170.76 1pya s ASP 44 N 1.21 -0.39 -0.02 3.54 1.01 -1.26 -5.07 116.67 115.69 1pya s ASP 44 Ca -0.05 -0.19 0.04 0.00 0.71 0.00 0.00 52.55 53.06 1pya s ASP 44 Cb -0.14 0.54 -0.01 0.00 1.01 0.00 0.00 42.92 44.33 1pya s ASP 44 CO -0.02 -0.93 -0.13 0.00 0.21 0.00 0.00 175.17 174.30 1pya s ALA 45 N -3.79 1.07 0.25 5.23 0.00 -1.26 -4.93 121.76 118.33 1pya s ALA 45 Ca 0.03 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.52 1pya s ALA 45 Cb 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 1pya s ALA 45 CO -0.11 0.24 -0.05 0.20 0.00 0.00 0.00 175.76 176.04 1pya s GLY 46 N -0.16 1.64 0.08 0.00 0.00 -1.26 -4.58 107.32 103.04 1pya s GLY 46 Ca 0.02 -1.81 -0.04 0.00 0.00 0.00 0.00 44.72 42.90 1pya s GLY 46 CO -0.00 -1.75 0.08 -1.34 0.00 0.00 0.00 173.10 170.09 1pya s VAL 47 N -3.19 0.17 -0.05 1.40 -7.23 -1.26 -4.84 120.40 105.40 1pya s VAL 47 Ca 0.28 -1.57 -0.13 0.00 -1.81 0.00 0.00 61.98 58.74 1pya s VAL 47 Cb 0.04 -1.54 0.02 0.00 0.56 0.00 0.00 36.38 35.46 1pya s VAL 47 CO 0.09 -0.76 0.30 -0.60 -0.31 0.00 0.00 175.10 173.82 1pya s ARG 48 N -3.92 0.57 0.40 4.82 6.06 -1.26 -4.64 118.95 120.98 1pya s ARG 48 Ca 0.09 -0.00 -0.26 0.00 -2.50 0.00 0.00 55.73 53.06 1pya s ARG 48 Cb 0.06 0.26 -0.09 0.00 0.06 0.00 0.00 34.95 35.24 1pya s ARG 48 CO -0.08 -0.14 1.25 -0.51 -2.50 0.00 0.00 175.30 173.32 1pya s ASP 49 N -0.86 6.40 0.37 -2.12 1.01 -1.26 -4.97 116.67 115.23 1pya s ASP 49 Ca -0.09 2.53 -0.27 0.00 0.71 0.00 0.00 52.55 55.43 1pya s ASP 49 Cb -0.04 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.16 1pya s ASP 49 CO 0.03 -0.78 1.31 -0.75 0.21 0.00 0.00 175.17 175.19 1pya s LYS 50 N -2.25 4.17 0.13 8.23 2.47 -1.26 -5.00 119.74 126.24 1pya s LYS 50 Ca 0.57 2.19 0.01 0.00 -1.56 0.00 0.00 55.97 57.18 1pya s LYS 50 Cb -0.35 -2.92 -0.00 0.00 -1.46 0.00 0.00 37.83 33.10 1pya s LYS 50 CO 0.45 -0.34 0.04 -1.13 0.16 0.00 0.00 175.35 174.53 1pya n SER 51 N 0.47 1.20 0.01 1.43 3.41 -1.26 -5.02 113.62 113.86 1pya n SER 51 Ca 0.02 -1.69 0.09 0.00 -0.26 0.00 0.00 58.87 57.02 1pya n SER 51 Cb 0.43 0.30 0.39 0.00 -0.26 0.00 0.00 64.21 65.07 1pya n SER 51 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1pya n ASP 52 N -1.79 0.06 -4.11 4.04 5.68 -1.26 -4.63 116.55 114.54 1pya n ASP 52 Ca -0.02 0.51 -0.34 0.00 -0.50 0.00 0.00 54.79 54.44 1pya n ASP 52 Cb 0.20 -0.53 -0.14 0.00 -1.14 0.00 0.00 41.12 39.51 1pya n ASP 52 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1pya s ASP 53 N -3.12 4.87 0.28 -1.12 -1.08 -1.26 -4.98 116.67 110.26 1pya s ASP 53 Ca 0.08 -1.65 -0.02 0.00 -0.52 0.00 0.00 52.55 50.45 1pya s ASP 53 Cb 0.12 -1.69 0.41 0.00 -1.46 0.00 0.00 42.92 40.30 1pya s ASP 53 CO 0.34 -0.34 1.91 0.44 0.52 0.00 0.00 175.17 178.04 1pya h ASP 54 N 7.89 1.02 -0.31 -0.34 3.32 -1.99 -0.65 116.42 125.37 1pya h ASP 54 Ca -0.15 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 1pya h ASP 54 Cb 1.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1pya h ASP 54 CO 0.56 0.68 -0.04 0.58 -1.72 0.00 0.00 179.24 179.30 1pya h VAL 55 N 1.17 1.27 -0.41 -1.35 2.07 -1.99 -0.86 116.25 116.16 1pya h VAL 55 Ca 0.39 -1.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 1pya h VAL 55 Cb 0.07 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1pya h VAL 55 CO -0.13 0.34 -0.11 -0.07 0.02 0.00 0.00 177.57 177.61 1pya h LEU 56 N 0.35 0.71 -0.78 2.57 3.38 -1.93 -0.26 115.31 119.36 1pya h LEU 56 Ca 0.08 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1pya h LEU 56 Cb 0.51 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1pya h LEU 56 CO 0.02 0.85 0.14 0.44 0.09 0.00 0.00 178.44 179.98 1pya h ASP 57 N 0.66 1.01 -0.86 -0.43 3.32 -0.94 -1.50 116.42 117.66 1pya h ASP 57 Ca 0.11 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1pya h ASP 57 Cb 0.57 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 1pya h ASP 57 CO 0.04 0.98 0.45 1.23 -1.72 0.00 0.00 179.24 180.22 1pya h GLY 58 N 1.06 1.31 0.74 2.75 0.00 -0.68 -2.21 103.07 106.03 1pya h GLY 58 Ca 0.21 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1pya h GLY 58 CO 0.01 0.59 -0.08 -2.22 0.00 0.00 0.00 176.54 174.84 1pya h ILE 59 N 1.22 0.96 -0.39 2.60 2.04 -0.24 -2.27 117.51 121.42 1pya h ILE 59 Ca 0.30 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 1pya h ILE 59 Cb 0.07 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1pya h ILE 59 CO -0.04 0.13 -0.10 0.58 0.00 0.00 0.00 178.15 178.72 1pya h VAL 60 N -0.48 1.28 -0.17 1.67 2.07 -1.33 -0.85 116.25 118.44 1pya h VAL 60 Ca -0.02 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 1pya h VAL 60 Cb 0.37 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1pya h VAL 60 CO 0.04 0.40 -0.16 0.77 0.02 0.00 0.00 177.57 178.63 1pya h SER 61 N 0.57 0.27 -0.19 0.57 4.64 -1.48 -0.62 113.55 117.31 1pya h SER 61 Ca 0.10 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1pya h SER 61 Cb 0.62 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1pya h SER 61 CO 0.04 0.46 0.03 0.22 -0.87 0.00 0.00 176.83 176.71 1pya h TYR 62 N 0.27 0.33 -0.47 4.77 3.20 -1.24 -0.64 116.97 123.19 1pya h TYR 62 Ca 0.05 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1pya h TYR 62 Cb 0.44 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 1pya h TYR 62 CO 0.01 0.46 0.17 0.22 -1.64 0.00 0.00 178.16 177.37 1pya h ASP 63 N 0.10 0.17 -0.75 -2.11 3.58 -0.71 -0.17 116.42 116.52 1pya h ASP 63 Ca 0.06 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1pya h ASP 63 Cb 0.31 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 1pya h ASP 63 CO 0.00 0.13 0.44 0.03 -2.88 0.00 0.00 179.24 176.96 1pya h ARG 64 N 0.34 1.03 -0.36 0.28 2.47 -0.81 -1.45 114.38 115.88 1pya h ARG 64 Ca 0.22 -0.10 -0.05 0.00 -1.26 0.00 0.00 59.98 58.79 1pya h ARG 64 Cb 0.23 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 1pya h ARG 64 CO -0.23 0.74 0.02 0.00 0.56 0.00 0.00 179.97 181.07 1pya h ALA 65 N 1.23 1.37 -0.27 0.04 0.00 -0.16 -2.60 119.26 118.86 1pya h ALA 65 Ca 0.27 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1pya h ALA 65 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1pya h ALA 65 CO -0.05 0.44 -0.15 0.93 0.00 0.00 0.00 179.25 180.43 1pya h GLU 66 N 0.54 0.47 -0.00 0.00 5.08 -0.23 -3.14 114.58 117.29 1pya h GLU 66 Ca 0.12 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1pya h GLU 66 Cb 0.31 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1pya h GLU 66 CO 0.01 0.61 -0.51 -2.37 -1.00 0.00 0.00 179.01 175.74 1pya n THR 67 N -4.19 0.00 -3.24 1.13 5.66 -0.62 -1.32 114.28 111.69 1pya n THR 67 Ca 0.00 -0.07 -0.37 0.00 -3.05 0.00 0.00 64.05 60.56 1pya n THR 67 Cb 0.33 0.56 -0.06 0.00 -1.55 0.00 0.00 70.33 69.62 1pya n THR 67 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1pya s LYS 68 N -2.78 4.17 5.79 1.09 2.20 -0.99 -4.75 119.74 124.48 1pya s LYS 68 Ca 0.15 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 1pya s LYS 68 Cb 0.18 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1pya s LYS 68 CO 0.66 0.53 0.00 0.09 -0.36 0.00 0.00 175.35 176.26 1pya n ASN 69 N 1.18 0.00 -4.64 1.43 5.03 -1.26 -4.56 115.26 112.44 1pya n ASN 69 Ca -0.06 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.96 1pya n ASN 69 Cb 0.51 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.24 1pya n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pya s ALA 70 N -1.16 3.29 -0.25 5.41 0.00 -1.26 -4.89 121.76 122.89 1pya s ALA 70 Ca 0.00 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 1pya s ALA 70 Cb 0.00 -3.92 -0.00 0.00 0.00 0.00 0.00 23.12 19.19 1pya s ALA 70 CO 0.00 -1.99 1.29 -0.47 0.00 0.00 0.00 175.76 174.59 1pya s TYR 71 N 5.76 2.74 -0.25 0.00 5.04 -1.26 -4.72 117.35 124.65 1pya s TYR 71 Ca 0.92 0.92 0.12 0.00 -2.44 0.00 0.00 57.07 56.59 1pya s TYR 71 Cb -0.39 -3.76 0.46 0.00 0.35 0.00 0.00 41.96 38.62 1pya s TYR 71 CO 0.39 -1.71 1.18 0.44 -1.34 0.00 0.00 175.55 174.51 1pya n ILE 72 N 5.92 2.09 -1.96 3.14 -5.35 -0.44 -5.04 119.36 117.72 1pya n ILE 72 Ca 0.14 -3.62 -0.33 0.00 -0.27 0.00 0.00 62.75 58.67 1pya n ILE 72 Cb 0.46 -0.39 0.02 0.00 -1.74 0.00 0.00 39.64 37.99 1pya n ILE 72 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pya s GLY 73 N -3.49 2.23 -1.67 3.28 0.00 -1.23 -4.05 107.32 102.38 1pya s GLY 73 Ca 0.43 0.54 -0.00 0.00 0.00 0.00 0.00 44.72 45.69 1pya s GLY 73 CO -0.01 0.88 0.00 -1.06 0.00 0.00 0.00 173.10 172.91 1pya n GLN 74 N -2.06 -1.56 -4.16 2.90 6.02 -1.26 -5.02 117.38 112.23 1pya n GLN 74 Ca 0.10 0.95 -0.22 0.00 -0.01 0.00 0.00 57.00 57.82 1pya n GLN 74 Cb 0.52 -5.54 -0.05 0.00 1.02 0.00 0.00 30.24 26.19 1pya n GLN 74 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1pya s ILE 75 N -2.98 4.03 -0.38 5.09 -4.36 -1.26 -5.09 121.20 116.25 1pya s ILE 75 Ca 0.00 -1.58 -0.15 0.00 -0.26 0.00 0.00 60.65 58.66 1pya s ILE 75 Cb -0.00 -3.20 0.00 0.00 1.25 0.00 0.00 42.46 40.52 1pya s ILE 75 CO 0.00 -0.34 0.35 0.20 0.24 0.00 0.00 174.94 175.39 1pya s ASN 76 N -3.80 6.15 -0.18 4.36 0.01 -1.26 -5.05 114.94 115.18 1pya s ASN 76 Ca 0.33 -0.54 -0.15 0.00 -0.71 0.00 0.00 52.86 51.79 1pya s ASN 76 Cb -0.07 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 1pya s ASN 76 CO 0.23 -0.42 0.36 -0.32 -1.51 0.00 0.00 177.10 175.44 1pya s MET 77 N 1.94 4.21 -0.07 -0.60 1.75 -1.26 -5.07 119.30 120.20 1pya s MET 77 Ca 0.10 0.16 -0.02 0.00 -1.25 0.00 0.00 55.69 54.68 1pya s MET 77 Cb -0.17 -3.49 -0.03 0.00 2.84 0.00 0.00 34.83 33.97 1pya s MET 77 CO 0.12 0.08 0.01 0.99 -0.65 0.00 0.00 175.02 175.56 1pya s THR 78 N 0.96 4.37 -0.17 10.11 2.01 -1.26 -5.11 115.64 126.55 1pya s THR 78 Ca 0.18 -0.27 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 1pya s THR 78 Cb -0.14 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1pya s THR 78 CO 0.07 0.57 0.07 -0.89 -0.69 0.00 0.00 174.62 173.75 1pya s THR 79 N -0.92 4.91 -0.09 -0.82 2.01 -1.26 -5.08 115.64 114.38 1pya s THR 79 Ca 0.14 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1pya s THR 79 Cb -0.11 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 1pya s THR 79 CO 0.04 0.50 -0.11 0.00 -0.69 0.00 0.00 174.62 174.35 1pya s ALA 80 N 0.05 2.76 0.00 7.40 0.00 -1.26 -5.36 121.76 125.34 1pya s ALA 80 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1pya s ALA 80 Cb -0.12 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1pya s ALA 80 CO 0.01 0.43 0.00 -1.13 0.00 0.00 0.00 175.76 175.07