#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0y s THR 2 N 0.00 4.28 -0.08 2.03 -1.32 -1.26 -4.98 115.64 114.31 1t0y s THR 2 Ca 0.00 1.41 0.04 0.00 -1.21 0.00 0.00 61.69 61.93 1t0y s THR 2 Cb 0.00 -4.39 -0.01 0.00 -1.51 0.00 0.00 72.50 66.59 1t0y s THR 2 CO 0.00 -0.66 -0.20 -0.70 -2.21 0.00 0.00 174.62 170.85 1t0y s GLU 3 N 4.12 2.84 0.19 7.08 2.12 -1.26 -5.06 118.70 128.73 1t0y s GLU 3 Ca 0.50 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 55.10 1t0y s GLU 3 Cb -0.12 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 1t0y s GLU 3 CO 0.23 0.34 -0.16 0.14 -0.54 0.00 0.00 175.26 175.28 1t0y s VAL 4 N -0.03 1.76 -0.02 3.70 -7.23 -1.26 0.11 120.40 117.42 1t0y s VAL 4 Ca -0.06 -2.09 0.03 0.00 -1.81 0.00 0.00 61.98 58.05 1t0y s VAL 4 Cb -0.15 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 1t0y s VAL 4 CO 0.05 -0.49 -0.11 -0.72 -0.31 0.00 0.00 175.10 173.52 1t0y s TYR 5 N -2.61 2.80 -0.31 2.82 -0.85 0.15 -4.62 117.35 114.74 1t0y s TYR 5 Ca 0.20 -0.09 -0.09 0.00 -0.52 0.00 0.00 57.07 56.57 1t0y s TYR 5 Cb -0.03 -1.62 -0.00 0.00 0.38 0.00 0.00 41.96 40.70 1t0y s TYR 5 CO 0.07 0.29 0.13 -0.51 -1.52 0.00 0.00 175.55 174.01 1t0y s ASP 6 N -1.09 5.43 0.17 -0.18 1.01 -1.26 -1.76 116.67 118.99 1t0y s ASP 6 Ca 0.14 -0.61 0.11 0.00 0.71 0.00 0.00 52.55 52.90 1t0y s ASP 6 Cb -0.11 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 1t0y s ASP 6 CO 0.04 -0.20 -0.23 -0.76 0.21 0.00 0.00 175.17 174.22 1t0y s LEU 7 N 1.58 2.47 -0.20 1.23 1.43 0.14 -1.95 118.68 123.36 1t0y s LEU 7 Ca 0.04 -0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 52.32 1t0y s LEU 7 Cb -0.17 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 1t0y s LEU 7 CO 0.05 0.14 -0.04 -0.70 0.23 0.00 0.00 176.35 176.03 1t0y s GLU 8 N -2.46 3.44 -0.16 1.70 2.12 -1.11 -0.28 118.70 121.95 1t0y s GLU 8 Ca 0.19 -0.60 -0.08 0.00 0.36 0.00 0.00 54.97 54.83 1t0y s GLU 8 Cb -0.09 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 1t0y s GLU 8 CO 0.09 -0.10 0.13 0.42 -0.54 0.00 0.00 175.26 175.27 1t0y s ILE 9 N 1.22 5.41 0.22 -3.70 -1.09 0.22 -0.60 121.20 122.88 1t0y s ILE 9 Ca 0.03 0.18 0.09 0.00 -2.23 0.00 0.00 60.65 58.72 1t0y s ILE 9 Cb -0.14 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.28 1t0y s ILE 9 CO -0.01 0.53 -0.17 0.42 -1.23 0.00 0.00 174.94 174.49 1t0y s THR 10 N -0.35 1.98 0.18 2.92 -4.23 0.18 -1.20 115.64 115.12 1t0y s THR 10 Ca 0.11 -2.23 -0.12 0.00 -1.18 0.00 0.00 61.69 58.27 1t0y s THR 10 Cb -0.12 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.63 1t0y s THR 10 CO 0.01 -0.49 0.39 -0.89 -0.54 0.00 0.00 174.62 173.09 1t0y s THR 11 N -2.69 0.05 -0.12 3.99 2.01 -1.25 0.33 115.64 117.96 1t0y s THR 11 Ca 0.24 -1.14 0.14 0.00 0.31 0.00 0.00 61.69 61.23 1t0y s THR 11 Cb -0.03 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.75 1t0y s THR 11 CO 0.09 -0.22 1.39 -0.55 -0.69 0.00 0.00 174.62 174.64 1t0y h ASN 12 N 2.40 0.00 0.92 3.53 -1.07 -1.94 -3.25 115.58 116.17 1t0y h ASN 12 Ca -0.30 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 55.91 1t0y h ASN 12 Cb 1.24 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.47 1t0y h ASN 12 CO 0.43 0.58 -1.16 0.00 0.07 0.00 0.00 177.43 177.35 1t0y h ALA 13 N 1.42 0.64 -2.88 4.14 0.00 -1.96 -3.45 119.26 117.18 1t0y h ALA 13 Ca -0.01 -0.78 -0.65 0.00 0.00 0.00 0.00 54.91 53.46 1t0y h ALA 13 Cb 1.45 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 1t0y h ALA 13 CO 0.07 0.90 -0.50 0.95 0.00 0.00 0.00 179.25 180.68 1t0y s THR 14 N -2.90 5.36 -0.14 0.00 -4.23 -1.23 -4.96 115.64 107.54 1t0y s THR 14 Ca -0.01 0.16 0.03 0.00 -1.18 0.00 0.00 61.69 60.69 1t0y s THR 14 Cb 0.08 -3.36 -0.23 0.00 1.34 0.00 0.00 72.50 70.33 1t0y s THR 14 CO 0.80 0.57 0.28 -0.67 -0.54 0.00 0.00 174.62 175.05 1t0y n ASP 15 N 2.46 1.53 -4.61 3.99 2.03 -1.26 -4.28 116.55 116.41 1t0y n ASP 15 Ca -0.19 0.16 -0.42 0.00 0.52 0.00 0.00 54.79 54.87 1t0y n ASP 15 Cb 0.54 -0.35 -0.05 0.00 -0.72 0.00 0.00 41.12 40.54 1t0y n ASP 15 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1t0y s PHE 16 N -2.55 3.19 0.52 -0.67 5.36 -1.26 -5.04 117.98 117.53 1t0y s PHE 16 Ca -0.19 0.72 -0.21 0.00 -0.96 0.00 0.00 56.93 56.30 1t0y s PHE 16 Cb 0.07 -3.22 -0.06 0.00 -0.34 0.00 0.00 43.02 39.48 1t0y s PHE 16 CO 0.76 -0.59 1.19 -2.14 -1.46 0.00 0.00 175.22 172.98 1t0y s PRO 17 N 2.93 3.39 0.21 10.12 0.02 -1.26 -4.94 135.00 145.46 1t0y s PRO 17 Ca 0.31 1.79 0.09 0.00 0.02 0.00 0.00 61.00 63.21 1t0y s PRO 17 Cb -0.14 -2.16 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 1t0y s PRO 17 CO 0.13 -0.86 -0.08 -1.64 -0.33 0.00 0.00 177.00 174.22 1t0y s MET 18 N -3.04 2.08 -0.13 5.54 -1.94 -0.34 -4.90 119.30 116.57 1t0y s MET 18 Ca 0.70 -1.35 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 1t0y s MET 18 Cb -0.29 -2.12 -0.01 0.00 2.01 0.00 0.00 34.83 34.41 1t0y s MET 18 CO 0.33 0.41 -0.14 -1.83 -0.01 0.00 0.00 175.02 173.78 1t0y s GLU 19 N -3.09 3.36 -0.06 2.03 -1.05 -1.26 0.69 118.70 119.32 1t0y s GLU 19 Ca 0.27 -0.70 0.03 0.00 -0.15 0.00 0.00 54.97 54.42 1t0y s GLU 19 Cb -0.08 -2.61 0.01 0.00 -0.44 0.00 0.00 34.13 31.01 1t0y s GLU 19 CO 0.16 0.20 -0.14 0.15 0.95 0.00 0.00 175.26 176.59 1t0y s LYS 20 N 0.37 1.78 -0.24 -4.83 -0.14 0.62 -4.97 119.74 112.33 1t0y s LYS 20 Ca -0.11 -0.48 -0.01 0.00 -1.36 0.00 0.00 55.97 54.01 1t0y s LYS 20 Cb -0.16 -1.47 0.03 0.00 -1.68 0.00 0.00 37.83 34.54 1t0y s LYS 20 CO 0.06 0.08 -0.07 0.21 -0.76 0.00 0.00 175.35 174.86 1t0y s LYS 21 N 0.51 2.84 0.07 1.68 2.20 -1.26 0.23 119.74 126.02 1t0y s LYS 21 Ca -0.13 -0.97 -0.09 0.00 -0.36 0.00 0.00 55.97 54.42 1t0y s LYS 21 Cb -0.15 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1t0y s LYS 21 CO 0.04 -0.38 0.19 0.71 -0.36 0.00 0.00 175.35 175.54 1t0y s TYR 22 N 1.32 0.12 0.24 4.03 2.02 -0.72 -4.95 117.35 119.40 1t0y s TYR 22 Ca 0.00 -0.46 -0.31 0.00 -0.37 0.00 0.00 57.07 55.93 1t0y s TYR 22 Cb -0.16 -0.05 -0.14 0.00 -0.40 0.00 0.00 41.96 41.21 1t0y s TYR 22 CO -0.05 -0.50 1.39 -0.35 -1.57 0.00 0.00 175.55 174.47 1t0y n PRO 23 N 0.24 1.98 0.19 -1.71 -0.04 -1.26 0.34 135.00 134.73 1t0y n PRO 23 Ca -0.17 0.70 0.14 0.00 -0.04 0.00 0.00 63.50 64.14 1t0y n PRO 23 Cb 0.61 -2.35 0.45 0.00 -0.04 0.00 0.00 33.50 32.16 1t0y n PRO 23 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t0y h ALA 24 N 4.16 1.00 -0.00 0.55 0.00 -0.61 -2.68 119.26 121.69 1t0y h ALA 24 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1t0y h ALA 24 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1t0y h ALA 24 CO 0.75 0.00 -0.11 0.41 0.00 0.00 0.00 179.25 180.30 1t0y n GLY 25 N 0.59 -1.34 3.80 0.00 0.00 -1.26 -0.82 105.19 106.17 1t0y n GLY 25 Ca 0.03 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1t0y n GLY 25 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1t0y s MET 26 N -2.86 2.96 0.44 1.61 0.00 -1.01 -4.66 119.30 115.77 1t0y s MET 26 Ca 0.18 1.12 -0.12 0.00 0.00 0.00 0.00 55.69 56.86 1t0y s MET 26 Cb 0.19 -1.99 -0.07 0.00 0.00 0.00 0.00 34.83 32.97 1t0y s MET 26 CO 0.54 -1.09 0.84 -1.54 0.00 0.00 0.00 175.02 173.77 1t0y s SER 27 N -3.25 6.55 0.39 1.11 1.04 -1.26 -0.71 113.70 117.56 1t0y s SER 27 Ca 0.61 1.28 0.07 0.00 0.48 0.00 0.00 55.95 58.39 1t0y s SER 27 Cb -0.16 -2.38 0.79 0.00 0.10 0.00 0.00 66.02 64.36 1t0y s SER 27 CO 0.47 -0.47 1.98 0.25 0.98 0.00 0.00 173.24 176.46 1t0y h LEU 28 N 1.12 0.42 -1.56 2.42 7.12 -1.73 -2.32 115.31 120.77 1t0y h LEU 28 Ca -0.47 -0.04 -0.04 0.00 0.13 0.00 0.00 57.88 57.46 1t0y h LEU 28 Cb 1.19 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.20 1t0y h LEU 28 CO 0.63 0.40 -0.17 0.78 -0.13 0.00 0.00 178.44 179.95 1t0y h ASN 29 N 0.46 0.06 0.37 1.25 2.35 -1.83 -0.82 115.58 117.42 1t0y h ASN 29 Ca 0.11 -0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.64 1t0y h ASN 29 Cb 0.13 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1t0y h ASN 29 CO -0.01 0.24 -0.89 -0.78 -1.65 0.00 0.00 177.43 174.34 1t0y h ASP 30 N 0.06 0.47 -0.29 5.81 3.58 -1.79 -1.44 116.42 122.82 1t0y h ASP 30 Ca 0.01 -0.37 -0.09 0.00 0.42 0.00 0.00 57.03 57.00 1t0y h ASP 30 Cb 0.34 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1t0y h ASP 30 CO 0.02 1.16 -0.19 0.25 -2.88 0.00 0.00 179.24 177.60 1t0y h LEU 31 N 0.22 0.66 -0.81 2.28 6.46 -1.21 0.28 115.31 123.18 1t0y h LEU 31 Ca -0.06 -0.44 -0.03 0.00 -0.12 0.00 0.00 57.88 57.23 1t0y h LEU 31 Cb 1.52 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 41.23 1t0y h LEU 31 CO 0.15 0.96 0.39 0.11 -0.62 0.00 0.00 178.44 179.43 1t0y h LYS 32 N 0.37 1.17 -0.45 1.25 1.57 -1.18 0.19 116.57 119.50 1t0y h LYS 32 Ca 0.06 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1t0y h LYS 32 Cb 0.73 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1t0y h LYS 32 CO 0.05 0.90 0.08 -0.22 -0.57 0.00 0.00 179.45 179.69 1t0y h LYS 33 N 1.15 0.69 -0.14 3.15 1.63 -0.67 1.10 116.57 123.48 1t0y h LYS 33 Ca 0.28 -0.14 -0.15 0.00 -0.85 0.00 0.00 60.65 59.79 1t0y h LYS 33 Cb 0.11 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1t0y h LYS 33 CO -0.04 0.65 -0.50 0.87 -3.45 0.00 0.00 179.45 176.98 1t0y h LYS 34 N 0.66 0.58 0.00 1.90 6.56 -0.51 -2.91 116.57 122.86 1t0y h LYS 34 Ca 0.15 -0.44 -0.10 0.00 -1.06 0.00 0.00 60.65 59.20 1t0y h LYS 34 Cb 0.29 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.02 1t0y h LYS 34 CO 0.00 1.06 -0.47 -0.07 -2.06 0.00 0.00 179.45 177.92 1t0y h LEU 35 N 0.22 0.00 -1.16 2.94 3.38 -0.20 -2.56 115.31 117.94 1t0y h LEU 35 Ca -0.02 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1t0y h LEU 35 Cb 1.13 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 1t0y h LEU 35 CO 0.11 0.47 0.59 -0.08 0.09 0.00 0.00 178.44 179.61 1t0y h GLU 36 N 0.00 0.96 -0.01 1.13 4.81 0.13 0.51 114.58 122.11 1t0y h GLU 36 Ca -0.00 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 58.99 1t0y h GLU 36 Cb 0.95 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1t0y h GLU 36 CO 0.06 0.64 -0.80 1.25 -0.73 0.00 0.00 179.01 179.43 1t0y h LEU 37 N 0.99 0.22 0.16 1.64 5.85 -1.26 0.14 115.31 123.05 1t0y h LEU 37 Ca 0.40 -0.16 -0.30 0.00 0.84 0.00 0.00 57.88 58.65 1t0y h LEU 37 Cb 0.26 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.23 1t0y h LEU 37 CO -0.16 0.93 -1.46 0.58 -0.34 0.00 0.00 178.44 177.99 1t0y h VAL 38 N 0.11 1.10 0.00 1.05 2.07 -0.86 -3.37 116.25 116.34 1t0y h VAL 38 Ca -0.03 -2.50 -0.22 0.00 0.82 0.00 0.00 66.70 64.78 1t0y h VAL 38 Cb 1.39 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 33.97 1t0y h VAL 38 CO 0.12 0.78 -1.60 0.52 0.02 0.00 0.00 177.57 177.40 1t0y n VAL 39 N -3.81 1.29 -0.07 2.57 0.31 0.17 -4.96 118.33 113.83 1t0y n VAL 39 Ca -0.22 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.38 1t0y n VAL 39 Cb 0.98 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 1t0y n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1t0y n GLY 40 N 1.47 1.46 3.80 2.92 0.00 0.04 -5.03 105.19 109.85 1t0y n GLY 40 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1t0y n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t0y s THR 41 N -2.59 3.81 0.93 2.61 -4.23 -1.24 -4.98 115.64 109.95 1t0y s THR 41 Ca 0.00 1.13 -0.13 0.00 -1.18 0.00 0.00 61.69 61.51 1t0y s THR 41 Cb 0.00 -3.46 0.20 0.00 1.34 0.00 0.00 72.50 70.58 1t0y s THR 41 CO 0.00 -0.24 1.28 0.42 -0.54 0.00 0.00 174.62 175.53 1t0y s THR 42 N -1.98 2.01 0.12 3.99 -4.23 -1.26 -4.50 115.64 109.78 1t0y s THR 42 Ca 0.67 -0.12 -0.20 0.00 -1.18 0.00 0.00 61.69 60.86 1t0y s THR 42 Cb -0.16 -2.89 -0.07 0.00 1.34 0.00 0.00 72.50 70.72 1t0y s THR 42 CO 0.20 0.00 1.76 0.58 -0.54 0.00 0.00 174.62 176.61 1t0y h VAL 43 N -1.49 0.99 0.00 2.29 2.07 -1.94 -1.70 116.25 116.47 1t0y h VAL 43 Ca -0.42 -0.06 -0.16 0.00 0.82 0.00 0.00 66.70 66.87 1t0y h VAL 43 Cb 1.23 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1t0y h VAL 43 CO 0.35 0.03 -0.88 -0.78 0.02 0.00 0.00 177.57 176.31 1t0y h ASP 44 N 0.18 0.00 0.00 0.57 3.58 -2.03 -3.02 116.42 115.70 1t0y h ASP 44 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1t0y h ASP 44 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1t0y h ASP 44 CO -0.06 0.71 0.00 -1.20 -2.88 0.00 0.00 179.24 175.81 1t0y n SER 45 N -3.20 0.00 -4.16 2.28 7.64 -1.12 -4.50 113.62 110.56 1t0y n SER 45 Ca -0.02 -1.12 -0.34 0.00 1.01 0.00 0.00 58.87 58.41 1t0y n SER 45 Cb 0.84 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.89 1t0y n SER 45 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1t0y s MET 46 N -2.00 2.75 -0.08 1.43 -2.45 -0.66 0.30 119.30 118.59 1t0y s MET 46 Ca 0.39 -1.02 -0.04 0.00 -1.25 0.00 0.00 55.69 53.76 1t0y s MET 46 Cb 0.18 -2.90 -0.04 0.00 1.25 0.00 0.00 34.83 33.32 1t0y s MET 46 CO 0.30 -0.40 0.10 1.03 1.05 0.00 0.00 175.02 177.10 1t0y s ARG 47 N 1.28 3.26 -0.21 4.11 0.52 -0.67 -4.91 118.95 122.33 1t0y s ARG 47 Ca -0.01 -0.28 -0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1t0y s ARG 47 Cb -0.17 -3.02 0.01 0.00 0.52 0.00 0.00 34.95 32.29 1t0y s ARG 47 CO -0.06 0.73 -0.10 -1.50 0.02 0.00 0.00 175.30 174.39 1t0y s ILE 48 N -1.05 2.82 -0.05 1.52 1.10 -1.26 -2.07 121.20 122.21 1t0y s ILE 48 Ca 0.17 -0.74 0.02 0.00 -0.51 0.00 0.00 60.65 59.59 1t0y s ILE 48 Cb -0.12 -2.28 -0.03 0.00 0.15 0.00 0.00 42.46 40.18 1t0y s ILE 48 CO 0.07 0.43 -0.10 -1.10 -2.11 0.00 0.00 174.94 172.12 1t0y s GLN 49 N 1.38 2.61 -0.13 3.50 1.11 0.12 -1.21 119.66 127.05 1t0y s GLN 49 Ca 0.05 -0.64 -0.03 0.00 0.01 0.00 0.00 55.36 54.75 1t0y s GLN 49 Cb -0.14 -2.49 -0.03 0.00 -1.01 0.00 0.00 33.01 29.34 1t0y s GLN 49 CO -0.07 0.64 -0.03 -1.17 0.01 0.00 0.00 175.29 174.67 1t0y s LEU 50 N -0.87 3.30 -0.18 2.90 2.96 -0.63 0.47 118.68 126.63 1t0y s LEU 50 Ca 0.13 -0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 53.89 1t0y s LEU 50 Cb -0.11 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1t0y s LEU 50 CO 0.02 0.22 0.08 -0.36 -1.32 0.00 0.00 176.35 175.00 1t0y s PHE 51 N 0.03 3.31 0.20 5.38 0.08 0.11 -1.10 117.98 126.00 1t0y s PHE 51 Ca 0.01 0.17 -0.12 0.00 0.12 0.00 0.00 56.93 57.11 1t0y s PHE 51 Cb -0.13 -2.09 -0.07 0.00 -0.57 0.00 0.00 43.02 40.16 1t0y s PHE 51 CO 0.03 0.23 0.57 0.34 -0.10 0.00 0.00 175.22 176.29 1t0y s ASP 52 N 0.27 6.73 0.00 1.36 -1.08 0.43 -2.46 116.67 121.92 1t0y s ASP 52 Ca 0.05 1.03 0.00 0.00 -0.52 0.00 0.00 52.55 53.11 1t0y s ASP 52 Cb -0.12 -2.27 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1t0y s ASP 52 CO -0.00 -0.01 0.00 0.61 0.52 0.00 0.00 175.17 176.29 1t0y n GLY 53 N 0.25 -0.08 3.58 2.66 0.00 -1.26 -3.82 105.19 106.51 1t0y n GLY 53 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 1t0y n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t0y s ASP 54 N 0.00 -0.89 0.00 1.61 2.15 -1.26 -4.69 116.67 113.59 1t0y s ASP 54 Ca 0.00 1.26 0.00 0.00 0.43 0.00 0.00 52.55 54.24 1t0y s ASP 54 Cb 0.00 1.86 0.00 0.00 -0.30 0.00 0.00 42.92 44.48 1t0y s ASP 54 CO 0.00 -0.18 0.00 -0.67 -0.17 0.00 0.00 175.17 174.15 1t0y n ASP 55 N 4.95 0.00 -4.66 -0.34 2.03 -1.26 -4.90 116.55 112.37 1t0y n ASP 55 Ca -0.13 0.00 -0.47 0.00 0.52 0.00 0.00 54.79 54.71 1t0y n ASP 55 Cb 0.52 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.88 1t0y n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t0y n GLN 56 N 0.00 2.20 -2.83 -0.67 10.64 -1.25 -4.81 117.38 120.67 1t0y n GLN 56 Ca 0.00 0.79 -0.42 0.00 -1.83 0.00 0.00 57.00 55.54 1t0y n GLN 56 Cb 0.00 -2.72 -0.04 0.00 -0.86 0.00 0.00 30.24 26.62 1t0y n GLN 56 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1t0y s LEU 57 N 4.58 4.15 -0.11 2.61 0.20 -1.26 -0.42 118.68 128.42 1t0y s LEU 57 Ca 0.94 1.23 -0.14 0.00 0.69 0.00 0.00 54.13 56.84 1t0y s LEU 57 Cb -0.65 -3.32 -0.26 0.00 -0.43 0.00 0.00 46.19 41.53 1t0y s LEU 57 CO 0.49 -0.47 0.49 0.11 -0.29 0.00 0.00 176.35 176.68 1t0y h LYS 58 N 7.39 0.23 0.00 1.98 1.79 -1.47 -3.48 116.57 123.01 1t0y h LYS 58 Ca -0.27 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 57.81 1t0y h LYS 58 Cb 1.11 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1t0y h LYS 58 CO 0.87 1.19 0.00 0.41 -1.08 0.00 0.00 179.45 180.84 1t0y n GLY 59 N 1.77 0.03 3.90 3.86 0.00 -1.24 -5.02 105.19 108.48 1t0y n GLY 59 Ca -0.27 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 1t0y n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t0y s GLU 60 N -2.00 3.48 0.00 1.61 8.01 -1.26 -1.60 118.70 126.94 1t0y s GLU 60 Ca 0.00 -0.27 0.00 0.00 0.01 0.00 0.00 54.97 54.71 1t0y s GLU 60 Cb 0.00 -3.06 0.00 0.00 -4.31 0.00 0.00 34.13 26.76 1t0y s GLU 60 CO 0.00 0.64 0.01 1.28 0.01 0.00 0.00 175.26 177.20 1t0y n LEU 61 N 0.78 1.53 0.00 1.80 4.77 -0.35 -4.90 117.00 120.63 1t0y n LEU 61 Ca -0.09 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1t0y n LEU 61 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1t0y n LEU 61 CO 0.45 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.92 1t0y n THR 62 N -0.27 0.00 -3.89 -5.08 -1.04 -1.26 -4.98 114.28 97.76 1t0y n THR 62 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 1t0y n THR 62 Cb 0.00 -0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 1t0y n THR 62 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1t0y s ASP 63 N -3.34 4.71 0.00 8.00 1.01 -1.26 -4.91 116.67 120.88 1t0y s ASP 63 Ca 0.00 -0.97 0.17 0.00 0.71 0.00 0.00 52.55 52.46 1t0y s ASP 63 Cb 0.00 -1.74 0.31 0.00 1.01 0.00 0.00 42.92 42.50 1t0y s ASP 63 CO 0.00 -0.19 1.22 0.61 0.21 0.00 0.00 175.17 177.02 1t0y n GLY 64 N 4.71 1.44 0.00 0.21 0.00 -1.26 -4.18 105.19 106.10 1t0y n GLY 64 Ca -0.15 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.43 1t0y n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t0y n ALA 65 N 1.05 2.12 -4.47 4.61 0.00 -1.26 -4.40 120.51 118.16 1t0y n ALA 65 Ca 0.14 -0.10 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 1t0y n ALA 65 Cb 0.48 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 1t0y n ALA 65 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1t0y n LYS 66 N -1.34 0.56 -2.63 0.00 2.85 -1.26 -5.12 118.16 111.22 1t0y n LYS 66 Ca 0.09 -3.48 -0.24 0.00 -1.05 0.00 0.00 58.31 53.63 1t0y n LYS 66 Cb 0.20 1.98 0.03 0.00 -0.65 0.00 0.00 35.03 36.58 1t0y n LYS 66 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1t0y s SER 67 N -3.52 5.55 0.41 -5.58 1.04 -1.26 -3.91 113.70 106.43 1t0y s SER 67 Ca 0.23 0.41 0.15 0.00 0.48 0.00 0.00 55.95 57.22 1t0y s SER 67 Cb 0.01 -1.45 0.88 0.00 0.10 0.00 0.00 66.02 65.56 1t0y s SER 67 CO 0.16 -1.00 1.89 -0.07 0.98 0.00 0.00 173.24 175.21 1t0y h LEU 68 N 0.03 0.00 -0.68 2.42 3.38 -0.77 -2.46 115.31 117.24 1t0y h LEU 68 Ca -0.45 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 1t0y h LEU 68 Cb 1.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1t0y h LEU 68 CO 0.58 0.29 0.11 0.50 0.09 0.00 0.00 178.44 180.01 1t0y h LYS 69 N 0.00 1.13 0.00 1.13 3.64 -1.06 0.25 116.57 121.66 1t0y h LYS 69 Ca -0.00 -0.30 -0.12 0.00 -1.27 0.00 0.00 60.65 58.95 1t0y h LYS 69 Cb 0.55 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1t0y h LYS 69 CO 0.04 1.03 -0.59 0.22 -2.27 0.00 0.00 179.45 177.87 1t0y h ASP 70 N 1.05 0.00 0.79 4.20 3.58 -1.74 -1.94 116.42 122.37 1t0y h ASP 70 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1t0y h ASP 70 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1t0y h ASP 70 CO 0.01 0.59 0.00 0.18 -2.88 0.00 0.00 179.24 177.14 1t0y n LEU 71 N -3.82 0.21 0.00 2.28 4.77 -0.95 -4.86 117.00 114.63 1t0y n LEU 71 Ca -0.01 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1t0y n LEU 71 Cb 0.60 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1t0y n LEU 71 CO 0.42 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1t0y n GLY 72 N 0.58 0.72 3.53 -0.72 0.00 -0.73 -4.99 105.19 103.57 1t0y n GLY 72 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1t0y n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t0y s VAL 73 N -2.35 4.09 0.35 1.61 1.01 0.83 -4.92 120.40 121.02 1t0y s VAL 73 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1t0y s VAL 73 Cb 0.00 -4.94 -0.01 0.00 0.00 0.00 0.00 36.38 31.43 1t0y s VAL 73 CO 0.00 -1.79 0.08 0.54 0.00 0.00 0.00 175.10 173.93 1t0y n ARG 74 N 8.38 0.76 -2.15 2.72 1.74 -1.26 -3.72 116.66 123.12 1t0y n ARG 74 Ca 0.23 -2.79 -0.39 0.00 -0.77 0.00 0.00 57.85 54.12 1t0y n ARG 74 Cb 0.50 1.29 -0.01 0.00 -1.02 0.00 0.00 32.46 33.22 1t0y n ARG 74 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1t0y s ASP 75 N -3.05 6.53 0.00 0.55 -4.77 -1.26 -2.29 116.67 112.38 1t0y s ASP 75 Ca 0.12 2.56 0.00 0.00 -3.30 0.00 0.00 52.55 51.93 1t0y s ASP 75 Cb 0.01 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.20 1t0y s ASP 75 CO 0.08 -0.69 0.00 0.61 0.70 0.00 0.00 175.17 175.88 1t0y n GLY 76 N 0.72 1.73 3.87 2.12 0.00 -0.82 -4.89 105.19 107.92 1t0y n GLY 76 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1t0y n GLY 76 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t0y s TYR 77 N -2.37 3.52 -0.07 1.61 1.51 -0.97 -4.60 117.35 115.99 1t0y s TYR 77 Ca 0.00 1.13 0.05 0.00 -1.01 0.00 0.00 57.07 57.24 1t0y s TYR 77 Cb 0.00 -2.54 -0.00 0.00 -0.11 0.00 0.00 41.96 39.30 1t0y s TYR 77 CO 0.00 -0.33 -0.23 1.03 -1.11 0.00 0.00 175.55 174.92 1t0y s ARG 78 N -4.39 2.53 -0.14 -0.62 0.52 -1.03 -2.77 118.95 113.06 1t0y s ARG 78 Ca 0.53 -0.83 -0.06 0.00 -0.52 0.00 0.00 55.73 54.85 1t0y s ARG 78 Cb -0.10 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 1t0y s ARG 78 CO 0.39 0.28 0.08 0.42 0.02 0.00 0.00 175.30 176.50 1t0y s ILE 79 N 0.06 5.02 -0.19 1.52 -1.09 0.23 0.09 121.20 126.84 1t0y s ILE 79 Ca -0.09 0.03 -0.01 0.00 -2.23 0.00 0.00 60.65 58.35 1t0y s ILE 79 Cb -0.15 -3.20 0.01 0.00 -1.58 0.00 0.00 42.46 37.54 1t0y s ILE 79 CO 0.05 0.56 -0.13 -2.28 -1.23 0.00 0.00 174.94 171.90 1t0y s HIS 80 N -0.50 2.85 0.03 3.97 5.65 0.18 0.48 115.29 127.94 1t0y s HIS 80 Ca 0.11 -1.31 0.01 0.00 0.25 0.00 0.00 55.06 54.12 1t0y s HIS 80 Cb -0.12 -1.99 -0.04 0.00 -1.18 0.00 0.00 32.58 29.26 1t0y s HIS 80 CO 0.02 -0.67 0.11 0.00 -0.65 0.00 0.00 174.74 173.55 1t0y s ALA 81 N 1.31 3.68 -0.12 1.58 0.00 0.15 0.14 121.76 128.50 1t0y s ALA 81 Ca 0.04 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 1t0y s ALA 81 Cb -0.14 -1.60 0.03 0.00 0.00 0.00 0.00 23.12 21.42 1t0y s ALA 81 CO -0.08 0.74 0.31 0.54 0.00 0.00 0.00 175.76 177.27 1t0y s VAL 82 N -1.32 -0.00 0.17 0.00 0.11 -0.88 -2.90 120.40 115.59 1t0y s VAL 82 Ca 0.27 0.01 -0.24 0.00 -2.93 0.00 0.00 61.98 59.09 1t0y s VAL 82 Cb -0.12 -0.44 -0.08 0.00 -1.53 0.00 0.00 36.38 34.21 1t0y s VAL 82 CO 0.19 0.00 0.76 1.51 -3.33 0.00 0.00 175.10 174.23 1t0y s ASP 83 N 0.22 7.32 0.00 3.54 -4.77 -1.26 -1.66 116.67 120.06 1t0y s ASP 83 Ca -0.00 1.59 0.10 0.00 -3.30 0.00 0.00 52.55 50.93 1t0y s ASP 83 Cb -0.03 -2.48 0.21 0.00 -1.09 0.00 0.00 42.92 39.54 1t0y s ASP 83 CO -0.00 0.19 1.10 0.52 0.70 0.00 0.00 175.17 177.67 1t0y n VAL 84 N 1.47 0.69 0.07 2.11 0.31 0.15 -4.14 118.33 118.98 1t0y n VAL 84 Ca -0.05 -0.85 -0.11 0.00 -0.01 0.00 0.00 64.34 63.32 1t0y n VAL 84 Cb 0.49 0.72 -0.13 0.00 -0.91 0.00 0.00 33.84 34.01 1t0y n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t0y h THR 85 N 1.82 1.52 -0.02 2.52 1.03 -1.92 -3.16 112.91 114.70 1t0y h THR 85 Ca 0.00 -3.19 0.00 0.00 -0.01 0.00 0.00 66.41 63.21 1t0y h THR 85 Cb 0.61 2.83 0.00 0.00 -1.07 0.00 0.00 68.15 70.52 1t0y h THR 85 CO 0.00 0.89 -0.24 0.61 -0.01 0.00 0.00 175.52 176.78 1t0y n GLY 86 N 1.46 0.08 2.21 2.99 0.00 -1.26 -4.92 105.19 105.75 1t0y n GLY 86 Ca -0.06 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 1t0y n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t0y n GLY 87 N 1.34 0.82 3.75 -0.02 0.00 -1.20 -4.99 105.19 104.89 1t0y n GLY 87 Ca 0.13 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 1t0y n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1t0y s ASN 88 N -2.87 7.54 -0.87 1.61 -0.87 -1.26 -3.52 114.94 114.69 1t0y s ASN 88 Ca 0.00 2.00 0.00 0.00 -1.57 0.00 0.00 52.86 53.29 1t0y s ASN 88 Cb 0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.62 1t0y s ASN 88 CO 0.00 0.06 0.00 -0.62 -2.57 0.00 0.00 177.10 173.97 1t0y n GLU 89 N 1.65 -1.18 0.00 -0.60 -0.58 -1.26 -4.73 120.64 113.93 1t0y n GLU 89 Ca -0.01 0.72 0.01 0.00 -0.42 0.00 0.00 57.16 57.47 1t0y n GLU 89 Cb 0.47 -4.81 0.01 0.00 -0.57 0.00 0.00 31.44 26.54 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18