#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 4.64 -0.03 2.03 -1.32 -1.26 -4.95 115.64 114.75 1t0y s THR 2 Ca 0.00 0.92 0.02 0.00 -1.21 0.00 0.00 61.69 61.42 1t0y s THR 2 Cb 0.00 -4.29 0.01 0.00 -1.51 0.00 0.00 72.50 66.71 1t0y s THR 2 CO 0.00 -0.55 -0.07 -1.61 -2.21 0.00 0.00 174.62 170.18 1t0y s GLU 3 N 3.33 0.85 0.03 7.08 2.02 -1.26 -5.05 118.70 125.70 1t0y s GLU 3 Ca 0.34 -0.22 0.02 0.00 0.02 0.00 0.00 54.97 55.13 1t0y s GLU 3 Cb -0.12 -0.81 -0.02 0.00 0.10 0.00 0.00 34.13 33.28 1t0y s GLU 3 CO 0.19 0.05 -0.07 0.14 0.02 0.00 0.00 175.26 175.59 1t0y s VAL 4 N 0.40 0.49 0.01 2.63 -7.23 -1.26 0.46 120.40 115.90 1t0y s VAL 4 Ca -0.06 -0.93 0.07 0.00 -1.81 0.00 0.00 61.98 59.25 1t0y s VAL 4 Cb -0.10 -0.54 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 1t0y s VAL 4 CO 0.00 -0.31 -0.21 -0.31 -0.31 0.00 0.00 175.10 173.97 1t0y s TYR 5 N -1.18 1.86 -0.33 2.82 2.02 0.10 -4.79 117.35 117.85 1t0y s TYR 5 Ca -0.08 -0.36 -0.20 0.00 -0.37 0.00 0.00 57.07 56.06 1t0y s TYR 5 Cb -0.09 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.31 1t0y s TYR 5 CO 0.00 0.03 0.60 -0.51 -1.57 0.00 0.00 175.55 174.10 1t0y s ASP 6 N -0.82 6.43 0.10 2.29 1.01 -1.26 -0.38 116.67 124.04 1t0y s ASP 6 Ca 0.08 0.26 0.05 0.00 0.71 0.00 0.00 52.55 53.65 1t0y s ASP 6 Cb -0.08 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1t0y s ASP 6 CO 0.00 -0.50 -0.01 -0.76 0.21 0.00 0.00 175.17 174.12 1t0y s LEU 7 N 2.57 3.42 -0.21 1.23 1.02 0.80 0.08 118.68 127.59 1t0y s LEU 7 Ca 0.23 -0.21 -0.04 0.00 0.02 0.00 0.00 54.13 54.12 1t0y s LEU 7 Cb -0.15 -2.15 -0.02 0.00 0.02 0.00 0.00 46.19 43.90 1t0y s LEU 7 CO 0.13 0.16 -0.02 -0.70 0.02 0.00 0.00 176.35 175.94 1t0y s GLU 8 N -2.38 3.50 -0.20 1.70 2.12 -0.73 -0.45 118.70 122.26 1t0y s GLU 8 Ca 0.26 -0.57 -0.15 0.00 0.36 0.00 0.00 54.97 54.87 1t0y s GLU 8 Cb -0.11 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1t0y s GLU 8 CO 0.18 -0.08 0.34 0.42 -0.54 0.00 0.00 175.26 175.58 1t0y s ILE 9 N 1.22 5.24 0.11 -3.70 -1.09 0.18 0.54 121.20 123.70 1t0y s ILE 9 Ca 0.03 0.60 0.05 0.00 -2.23 0.00 0.00 60.65 59.10 1t0y s ILE 9 Cb -0.14 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1t0y s ILE 9 CO 0.00 0.29 -0.13 0.42 -1.23 0.00 0.00 174.94 174.29 1t0y s THR 10 N 1.14 1.17 0.16 2.92 -4.23 0.72 -1.33 115.64 116.19 1t0y s THR 10 Ca 0.17 -1.62 -0.09 0.00 -1.18 0.00 0.00 61.69 58.97 1t0y s THR 10 Cb -0.14 -1.39 -0.01 0.00 1.34 0.00 0.00 72.50 72.30 1t0y s THR 10 CO 0.07 -0.43 0.28 -0.89 -0.54 0.00 0.00 174.62 173.12 1t0y s THR 11 N -2.07 0.07 0.09 3.99 2.01 -1.26 0.41 115.64 118.88 1t0y s THR 11 Ca 0.06 -1.34 0.07 0.00 0.31 0.00 0.00 61.69 60.78 1t0y s THR 11 Cb -0.05 -1.79 -0.22 0.00 0.01 0.00 0.00 72.50 70.45 1t0y s THR 11 CO 0.02 -0.32 1.16 -1.13 -0.69 0.00 0.00 174.62 173.65 1t0y h ASN 12 N 2.55 0.04 0.90 3.53 -1.24 -1.83 -3.25 115.58 116.28 1t0y h ASN 12 Ca -0.32 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.64 1t0y h ASN 12 Cb 1.23 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.26 1t0y h ASN 12 CO 0.49 1.04 -0.36 0.00 -1.29 0.00 0.00 177.43 177.30 1t0y n ALA 13 N -2.41 2.87 -2.67 1.57 0.00 -1.26 -4.80 120.51 113.82 1t0y n ALA 13 Ca -0.04 -0.21 -0.35 0.00 0.00 0.00 0.00 53.44 52.85 1t0y n ALA 13 Cb 0.97 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 1t0y n ALA 13 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1t0y s THR 14 N -3.08 4.11 -0.11 0.00 -4.23 -1.23 -5.00 115.64 106.10 1t0y s THR 14 Ca 0.10 -0.32 0.11 0.00 -1.18 0.00 0.00 61.69 60.40 1t0y s THR 14 Cb 0.15 -2.72 -0.24 0.00 1.34 0.00 0.00 72.50 71.04 1t0y s THR 14 CO 0.66 0.60 0.40 -0.67 -0.54 0.00 0.00 174.62 175.06 1t0y n ASP 15 N 2.25 0.84 -4.41 3.99 2.03 -1.26 -4.42 116.55 115.57 1t0y n ASP 15 Ca -0.18 0.23 -0.39 0.00 0.52 0.00 0.00 54.79 54.97 1t0y n ASP 15 Cb 0.53 0.13 -0.12 0.00 -0.72 0.00 0.00 41.12 40.94 1t0y n ASP 15 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1t0y s PHE 16 N -2.56 3.20 0.54 -0.67 0.08 -1.26 -5.07 117.98 112.25 1t0y s PHE 16 Ca -0.10 -0.73 -0.20 0.00 0.12 0.00 0.00 56.93 56.01 1t0y s PHE 16 Cb 0.07 -2.37 -0.05 0.00 -0.57 0.00 0.00 43.02 40.10 1t0y s PHE 16 CO 0.81 -0.53 1.17 -2.14 -0.10 0.00 0.00 175.22 174.43 1t0y s PRO 17 N 1.58 3.30 -0.08 0.24 0.02 -1.26 -4.97 135.00 133.83 1t0y s PRO 17 Ca 0.04 1.73 0.05 0.00 0.02 0.00 0.00 61.00 62.84 1t0y s PRO 17 Cb -0.18 -2.06 -0.00 0.00 0.02 0.00 0.00 34.50 32.28 1t0y s PRO 17 CO 0.06 -0.92 -0.24 -1.64 -0.33 0.00 0.00 177.00 173.93 1t0y s MET 18 N -3.18 2.85 -0.21 5.54 -1.94 -0.44 -4.92 119.30 117.00 1t0y s MET 18 Ca 0.73 -0.89 -0.10 0.00 -1.71 0.00 0.00 55.69 53.72 1t0y s MET 18 Cb -0.27 -2.25 -0.05 0.00 2.01 0.00 0.00 34.83 34.27 1t0y s MET 18 CO 0.31 0.26 0.14 -1.83 -0.01 0.00 0.00 175.02 173.88 1t0y s GLU 19 N 0.14 4.17 -0.02 2.03 -1.05 -1.26 0.50 118.70 123.21 1t0y s GLU 19 Ca -0.13 -0.23 -0.09 0.00 -0.15 0.00 0.00 54.97 54.37 1t0y s GLU 19 Cb -0.16 -3.44 0.01 0.00 -0.44 0.00 0.00 34.13 30.10 1t0y s GLU 19 CO 0.07 0.26 0.19 0.21 0.95 0.00 0.00 175.26 176.93 1t0y s LYS 20 N 0.49 0.47 -0.06 -4.83 2.20 0.40 -4.98 119.74 113.42 1t0y s LYS 20 Ca 0.08 -0.21 -0.14 0.00 -0.36 0.00 0.00 55.97 55.34 1t0y s LYS 20 Cb -0.11 0.20 -0.05 0.00 -1.51 0.00 0.00 37.83 36.36 1t0y s LYS 20 CO -0.01 -0.11 0.36 0.21 -0.36 0.00 0.00 175.35 175.44 1t0y s LYS 21 N -1.05 3.98 0.05 4.03 2.20 -1.26 -0.14 119.74 127.55 1t0y s LYS 21 Ca -0.11 0.28 0.04 0.00 -0.36 0.00 0.00 55.97 55.81 1t0y s LYS 21 Cb -0.06 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 1t0y s LYS 21 CO 0.02 0.54 -0.11 0.71 -0.36 0.00 0.00 175.35 176.14 1t0y s TYR 22 N -0.52 0.98 0.52 4.03 2.02 0.48 -4.94 117.35 119.93 1t0y s TYR 22 Ca 0.21 -0.45 -0.22 0.00 -0.37 0.00 0.00 57.07 56.25 1t0y s TYR 22 Cb -0.15 -0.57 -0.06 0.00 -0.40 0.00 0.00 41.96 40.79 1t0y s TYR 22 CO 0.10 -0.00 1.25 -2.14 -1.57 0.00 0.00 175.55 173.19 1t0y s PRO 23 N -1.54 3.35 0.54 -1.71 0.02 -1.26 0.02 135.00 134.43 1t0y s PRO 23 Ca -0.04 1.97 0.29 0.00 0.02 0.00 0.00 61.00 63.24 1t0y s PRO 23 Cb -0.09 -2.25 1.54 0.00 0.02 0.00 0.00 34.50 33.71 1t0y s PRO 23 CO 0.01 -0.94 2.10 0.00 -0.33 0.00 0.00 177.00 177.84 1t0y h ALA 24 N 1.58 1.27 -0.32 -1.55 0.00 -0.30 -1.81 119.26 118.13 1t0y h ALA 24 Ca -0.50 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1t0y h ALA 24 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1t0y h ALA 24 CO 0.58 0.12 0.00 0.41 0.00 0.00 0.00 179.25 180.36 1t0y n GLY 25 N -0.72 0.91 3.78 0.00 0.00 -1.26 -1.51 105.19 106.38 1t0y n GLY 25 Ca -0.02 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.58 3.66 0.09 1.61 0.00 -0.68 -4.76 119.30 117.63 1t0y s MET 26 Ca 0.33 1.65 -0.14 0.00 0.00 0.00 0.00 55.69 57.54 1t0y s MET 26 Cb 0.18 -2.25 -0.06 0.00 0.00 0.00 0.00 34.83 32.70 1t0y s MET 26 CO 0.25 -0.61 0.48 -1.54 0.00 0.00 0.00 175.02 173.61 1t0y s SER 27 N -1.58 6.80 0.41 1.11 1.04 -1.26 -1.53 113.70 118.69 1t0y s SER 27 Ca 0.67 1.00 0.09 0.00 0.48 0.00 0.00 55.95 58.18 1t0y s SER 27 Cb -0.25 -2.26 0.86 0.00 0.10 0.00 0.00 66.02 64.47 1t0y s SER 27 CO 0.30 0.19 1.99 0.25 0.98 0.00 0.00 173.24 176.95 1t0y h LEU 28 N 3.95 0.31 -0.40 2.42 7.12 -1.70 -2.36 115.31 124.66 1t0y h LEU 28 Ca -0.49 -0.03 -0.15 0.00 0.13 0.00 0.00 57.88 57.33 1t0y h LEU 28 Cb 1.20 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.24 1t0y h LEU 28 CO 0.65 0.34 -0.34 0.78 -0.13 0.00 0.00 178.44 179.73 1t0y h ASN 29 N 0.34 1.00 0.74 1.25 2.35 -1.85 0.13 115.58 119.53 1t0y h ASN 29 Ca 0.08 -0.45 -0.11 0.00 -0.55 0.00 0.00 56.30 55.27 1t0y h ASN 29 Cb 0.17 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1t0y h ASN 29 CO -0.00 1.24 -0.52 -0.78 -1.65 0.00 0.00 177.43 175.72 1t0y h ASP 30 N 0.77 0.00 -0.13 5.81 3.58 -1.84 -1.43 116.42 123.17 1t0y h ASP 30 Ca 0.07 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.29 1t0y h ASP 30 Cb 0.93 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.00 1t0y h ASP 30 CO 0.09 0.52 -0.82 0.25 -2.88 0.00 0.00 179.24 176.39 1t0y h LEU 31 N 0.00 0.95 -0.42 2.28 6.46 -1.15 -2.18 115.31 121.25 1t0y h LEU 31 Ca -0.01 -0.64 0.02 0.00 -0.12 0.00 0.00 57.88 57.13 1t0y h LEU 31 Cb 1.02 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1t0y h LEU 31 CO 0.07 1.45 0.25 0.11 -0.62 0.00 0.00 178.44 179.69 1t0y h LYS 32 N 0.53 0.49 -0.42 1.25 1.57 -0.43 0.19 116.57 119.74 1t0y h LYS 32 Ca -0.07 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1t0y h LYS 32 Cb 1.46 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.64 1t0y h LYS 32 CO 0.17 0.32 0.28 -0.22 -0.57 0.00 0.00 179.45 179.43 1t0y h LYS 33 N 0.50 0.42 -0.09 3.15 1.63 -1.08 1.07 116.57 122.17 1t0y h LYS 33 Ca 0.16 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 59.78 1t0y h LYS 33 Cb 0.00 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1t0y h LYS 33 CO -0.07 0.28 -0.55 0.87 -3.45 0.00 0.00 179.45 176.53 1t0y h LYS 34 N 0.43 0.53 -0.26 1.90 1.79 -0.77 -3.03 116.57 117.15 1t0y h LYS 34 Ca 0.18 -0.45 -0.10 0.00 -2.18 0.00 0.00 60.65 58.10 1t0y h LYS 34 Cb 0.16 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1t0y h LYS 34 CO -0.04 1.08 -0.25 -0.07 -1.08 0.00 0.00 179.45 179.09 1t0y h LEU 35 N 0.12 0.51 -1.60 2.94 3.38 0.13 -1.98 115.31 118.82 1t0y h LEU 35 Ca -0.04 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.87 1t0y h LEU 35 Cb 1.20 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1t0y h LEU 35 CO 0.11 0.75 0.44 -0.33 0.09 0.00 0.00 178.44 179.51 1t0y h GLU 36 N 0.45 0.42 -0.01 1.13 5.08 0.11 0.61 114.58 122.38 1t0y h GLU 36 Ca 0.07 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 1t0y h GLU 36 Cb 0.67 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1t0y h GLU 36 CO 0.05 0.28 -0.81 1.25 -1.00 0.00 0.00 179.01 178.78 1t0y h LEU 37 N 0.43 0.17 0.13 1.33 5.85 -1.24 0.34 115.31 122.32 1t0y h LEU 37 Ca 0.31 -0.13 -0.33 0.00 0.84 0.00 0.00 57.88 58.57 1t0y h LEU 37 Cb 0.62 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1t0y h LEU 37 CO -0.09 0.91 -1.72 0.58 -0.34 0.00 0.00 178.44 177.78 1t0y h VAL 38 N 0.08 0.84 0.00 1.05 2.07 -0.95 -3.38 116.25 115.97 1t0y h VAL 38 Ca -0.03 -2.39 -0.10 0.00 0.82 0.00 0.00 66.70 64.99 1t0y h VAL 38 Cb 1.41 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.78 1t0y h VAL 38 CO 0.12 0.80 -1.21 0.58 0.02 0.00 0.00 177.57 177.88 1t0y h VAL 39 N -0.10 0.33 0.00 2.57 2.07 0.07 -3.48 116.25 117.72 1t0y h VAL 39 Ca -0.36 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.52 1t0y h VAL 39 Cb 1.93 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 1t0y h VAL 39 CO 0.09 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.47 1t0y n GLY 40 N 1.31 0.79 3.93 2.17 0.00 0.10 -5.03 105.19 108.46 1t0y n GLY 40 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 1t0y n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t0y s THR 41 N -2.98 2.11 0.50 2.61 2.01 -1.22 -5.00 115.64 113.66 1t0y s THR 41 Ca 0.00 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1t0y s THR 41 Cb 0.00 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.56 1t0y s THR 41 CO 0.00 0.00 0.24 0.42 -0.69 0.00 0.00 174.62 174.59 1t0y s THR 42 N -3.51 1.72 0.08 -0.82 -4.23 -1.26 -4.56 115.64 103.06 1t0y s THR 42 Ca 0.65 -1.67 -0.21 0.00 -1.18 0.00 0.00 61.69 59.28 1t0y s THR 42 Cb -0.08 -2.39 -0.11 0.00 1.34 0.00 0.00 72.50 71.25 1t0y s THR 42 CO 0.48 0.00 1.59 0.58 -0.54 0.00 0.00 174.62 176.73 1t0y h VAL 43 N 1.09 1.18 0.04 2.29 2.07 -1.95 -2.18 116.25 118.79 1t0y h VAL 43 Ca -0.40 -0.56 -0.22 0.00 0.82 0.00 0.00 66.70 66.34 1t0y h VAL 43 Cb 1.29 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1t0y h VAL 43 CO 0.65 0.17 -1.01 -0.78 0.02 0.00 0.00 177.57 176.62 1t0y h ASP 44 N 0.07 0.22 1.05 0.57 1.82 -2.03 -3.06 116.42 115.07 1t0y h ASP 44 Ca 0.05 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1t0y h ASP 44 Cb 0.22 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1t0y h ASP 44 CO -0.00 1.09 -0.02 -1.20 -1.61 0.00 0.00 179.24 177.50 1t0y n SER 45 N -3.53 0.14 -4.39 2.28 7.64 -1.22 -4.64 113.62 109.90 1t0y n SER 45 Ca -0.04 0.49 -0.39 0.00 1.01 0.00 0.00 58.87 59.94 1t0y n SER 45 Cb 0.90 -0.52 -0.12 0.00 -1.01 0.00 0.00 64.21 63.47 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 -3.02 3.04 -0.05 1.43 -2.45 -0.82 -0.16 119.30 117.27 1t0y s MET 46 Ca 0.13 -0.92 0.00 0.00 -1.25 0.00 0.00 55.69 53.65 1t0y s MET 46 Cb 0.18 -3.62 -0.03 0.00 1.25 0.00 0.00 34.83 32.61 1t0y s MET 46 CO 0.55 -0.56 -0.01 0.50 1.05 0.00 0.00 175.02 176.54 1t0y s ARG 47 N 1.56 2.85 -0.06 4.11 3.52 -0.05 -4.90 118.95 125.98 1t0y s ARG 47 Ca 0.03 -0.52 0.05 0.00 -0.13 0.00 0.00 55.73 55.16 1t0y s ARG 47 Cb -0.18 -2.70 -0.01 0.00 -1.56 0.00 0.00 34.95 30.51 1t0y s ARG 47 CO 0.06 0.66 -0.22 0.42 -0.81 0.00 0.00 175.30 175.41 1t0y s ILE 48 N -0.95 1.84 0.10 4.11 1.01 -1.26 -0.08 121.20 125.97 1t0y s ILE 48 Ca 0.15 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 59.94 1t0y s ILE 48 Cb -0.11 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1t0y s ILE 48 CO 0.05 0.51 -0.08 -1.10 0.00 0.00 0.00 174.94 174.32 1t0y s GLN 49 N 0.02 2.20 -0.10 2.79 1.11 0.18 -0.25 119.66 125.61 1t0y s GLN 49 Ca -0.07 -0.99 0.02 0.00 0.01 0.00 0.00 55.36 54.34 1t0y s GLN 49 Cb -0.14 -2.35 -0.01 0.00 -1.01 0.00 0.00 33.01 29.50 1t0y s GLN 49 CO 0.04 0.52 -0.18 -1.17 0.01 0.00 0.00 175.29 174.51 1t0y s LEU 50 N -2.19 2.47 0.20 2.90 2.96 -0.09 0.42 118.68 125.36 1t0y s LEU 50 Ca 0.22 -0.40 0.11 0.00 -0.22 0.00 0.00 54.13 53.84 1t0y s LEU 50 Cb -0.11 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1t0y s LEU 50 CO 0.14 0.20 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.79 1t0y s PHE 51 N 0.15 2.19 0.73 5.38 0.40 -0.10 0.23 117.98 126.96 1t0y s PHE 51 Ca -0.09 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.73 1t0y s PHE 51 Cb -0.16 -1.06 0.18 0.00 0.51 0.00 0.00 43.02 42.50 1t0y s PHE 51 CO 0.06 0.50 0.60 -0.25 0.70 0.00 0.00 175.22 176.83 1t0y n ASP 52 N 0.09 -1.97 -3.11 1.36 8.00 0.51 -1.78 116.55 119.66 1t0y n ASP 52 Ca -0.11 -0.80 -0.39 0.00 0.71 0.00 0.00 54.79 54.20 1t0y n ASP 52 Cb 0.57 -0.58 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 1t0y n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t0y n GLY 53 N -2.03 5.55 2.04 0.44 0.00 -1.25 -3.63 105.19 106.32 1t0y n GLY 53 Ca 0.09 -2.42 0.00 0.00 0.00 0.00 0.00 46.02 43.69 1t0y n GLY 53 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t0y n ASP 54 N -0.13 -0.85 0.00 1.61 2.03 -1.26 -4.96 116.55 113.00 1t0y n ASP 54 Ca 0.52 0.33 0.00 0.00 0.52 0.00 0.00 54.79 56.16 1t0y n ASP 54 Cb 0.27 0.95 0.00 0.00 -0.72 0.00 0.00 41.12 41.63 1t0y n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1t0y n ASP 55 N -2.99 0.00 -4.75 1.67 -0.08 -1.26 -5.16 116.55 103.98 1t0y n ASP 55 Ca 0.00 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.92 1t0y n ASP 55 Cb 0.00 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.49 1t0y n ASP 55 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1t0y s GLN 56 N 0.00 3.03 0.03 -0.67 -0.21 -1.26 -4.68 119.66 115.90 1t0y s GLN 56 Ca 0.00 1.89 -0.26 0.00 0.02 0.00 0.00 55.36 57.01 1t0y s GLN 56 Cb 0.00 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 31.96 1t0y s GLN 56 CO 0.00 -1.18 0.81 -1.17 -2.12 0.00 0.00 175.29 171.63 1t0y s LEU 57 N -3.93 4.43 -0.09 2.90 2.96 -1.26 -0.36 118.68 123.32 1t0y s LEU 57 Ca 0.76 1.49 -0.17 0.00 -0.22 0.00 0.00 54.13 55.99 1t0y s LEU 57 Cb -0.32 -3.30 -0.28 0.00 0.50 0.00 0.00 46.19 42.78 1t0y s LEU 57 CO 0.35 -0.05 0.64 0.11 -1.32 0.00 0.00 176.35 176.08 1t0y h LYS 58 N 5.95 0.27 0.00 1.98 1.79 -0.55 -3.47 116.57 122.55 1t0y h LYS 58 Ca -0.43 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 57.58 1t0y h LYS 58 Cb 1.21 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 1t0y h LYS 58 CO 0.72 1.22 0.00 0.41 -1.08 0.00 0.00 179.45 180.72 1t0y n GLY 59 N 1.73 -0.89 3.54 3.86 0.00 -1.17 -5.01 105.19 107.26 1t0y n GLY 59 Ca -0.23 -1.20 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1t0y n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t0y s GLU 60 N -2.00 3.84 0.00 1.61 2.12 -1.26 -0.91 118.70 122.10 1t0y s GLU 60 Ca 0.00 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.94 1t0y s GLU 60 Cb 0.00 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.98 1t0y s GLU 60 CO 0.00 -0.07 0.00 1.28 -0.54 0.00 0.00 175.26 175.93 1t0y n LEU 61 N 4.61 0.00 0.00 2.70 4.77 0.66 -4.90 117.00 124.84 1t0y n LEU 61 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 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 0.33 0.00 0.00 1.07 -1.33 0.00 0.00 177.39 177.46 1t0y n THR 62 N 0.00 0.00 0.00 -5.08 5.66 -1.26 -4.77 114.28 108.83 1t0y n THR 62 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1t0y n THR 62 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1t0y n THR 62 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1t0y n ASP 63 N 0.00 0.00 0.00 1.09 9.92 -1.26 -4.89 116.55 121.41 1t0y n ASP 63 Ca 0.00 0.88 0.00 0.00 -0.53 0.00 0.00 54.79 55.14 1t0y n ASP 63 Cb 0.00 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 1t0y n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1t0y n GLY 64 N -0.79 2.47 0.19 0.44 0.00 -1.26 -4.71 105.19 101.52 1t0y n GLY 64 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.18 2.62 -2.44 4.61 0.00 -1.26 -4.01 120.51 120.21 1t0y n ALA 65 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 52.92 1t0y n ALA 65 Cb 0.00 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 18.01 1t0y n ALA 65 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1t0y s LYS 66 N -1.97 1.44 0.76 0.00 3.01 -1.26 -5.11 119.74 116.61 1t0y s LYS 66 Ca 0.39 -1.51 -0.07 0.00 -1.01 0.00 0.00 55.97 53.76 1t0y s LYS 66 Cb 0.19 -1.61 0.10 0.00 -1.01 0.00 0.00 37.83 35.50 1t0y s LYS 66 CO 0.31 0.33 1.07 -1.54 0.51 0.00 0.00 175.35 176.03 1t0y s SER 67 N -2.80 4.36 0.39 2.83 1.04 -1.26 -3.91 113.70 114.35 1t0y s SER 67 Ca 0.20 0.22 0.09 0.00 0.48 0.00 0.00 55.95 56.94 1t0y s SER 67 Cb -0.06 -0.69 0.81 0.00 0.10 0.00 0.00 66.02 66.18 1t0y s SER 67 CO 0.09 -1.89 1.94 -0.07 0.98 0.00 0.00 173.24 174.29 1t0y h LEU 68 N -0.79 0.26 -0.26 2.42 3.38 -0.74 0.84 115.31 120.41 1t0y h LEU 68 Ca -0.43 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 1t0y h LEU 68 Cb 1.29 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1t0y h LEU 68 CO 0.51 0.37 -0.26 0.50 0.09 0.00 0.00 178.44 179.64 1t0y h LYS 69 N 0.27 0.65 -0.01 1.13 3.64 -1.47 0.15 116.57 120.93 1t0y h LYS 69 Ca 0.06 -0.34 -0.16 0.00 -1.27 0.00 0.00 60.65 58.94 1t0y h LYS 69 Cb 0.30 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1t0y h LYS 69 CO 0.01 0.95 -0.73 0.22 -2.27 0.00 0.00 179.45 177.63 1t0y h ASP 70 N 0.37 0.09 0.96 4.20 3.58 -1.70 -2.66 116.42 121.26 1t0y h ASP 70 Ca 0.04 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1t0y h ASP 70 Cb 0.83 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1t0y h ASP 70 CO 0.07 0.79 0.00 0.18 -2.88 0.00 0.00 179.24 177.39 1t0y n LEU 71 N -3.71 0.52 0.00 2.28 4.77 0.24 -4.89 117.00 116.21 1t0y n LEU 71 Ca -0.02 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1t0y n LEU 71 Cb 0.71 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1t0y n LEU 71 CO 0.44 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1t0y n GLY 72 N 0.61 0.84 3.82 -0.72 0.00 -1.00 -5.05 105.19 103.68 1t0y n GLY 72 Ca 0.04 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 5.04 0.27 1.61 1.01 0.51 -5.04 120.40 121.79 1t0y s VAL 73 Ca 0.00 0.86 0.06 0.00 0.00 0.00 0.00 61.98 62.89 1t0y s VAL 73 Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1t0y s VAL 73 CO 0.00 0.55 0.21 0.54 0.00 0.00 0.00 175.10 176.40 1t0y n ARG 74 N 2.00 0.36 -2.37 2.72 1.74 -1.26 -4.36 116.66 115.49 1t0y n ARG 74 Ca -0.13 -2.62 -0.40 0.00 -0.77 0.00 0.00 57.85 53.93 1t0y n ARG 74 Cb 0.52 2.06 -0.03 0.00 -1.02 0.00 0.00 32.46 33.99 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 -2.84 6.95 0.00 0.55 -4.77 -1.26 -2.69 116.67 112.61 1t0y s ASP 75 Ca 0.29 2.35 0.00 0.00 -3.30 0.00 0.00 52.55 51.89 1t0y s ASP 75 Cb 0.01 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 1t0y s ASP 75 CO 0.21 -0.37 0.00 0.61 0.70 0.00 0.00 175.17 176.31 1t0y n GLY 76 N 0.91 2.18 3.78 2.12 0.00 0.11 -4.81 105.19 109.47 1t0y n GLY 76 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.30 3.37 -0.09 1.61 1.51 -1.09 -3.74 117.35 116.61 1t0y s TYR 77 Ca 0.00 1.67 -0.01 0.00 -1.01 0.00 0.00 57.07 57.72 1t0y s TYR 77 Cb 0.00 -3.10 -0.03 0.00 -0.11 0.00 0.00 41.96 38.72 1t0y s TYR 77 CO 0.00 -0.46 -0.02 -0.98 -1.11 0.00 0.00 175.55 172.98 1t0y s ARG 78 N -2.36 3.03 -0.23 -0.62 1.70 -0.73 -1.78 118.95 117.96 1t0y s ARG 78 Ca 0.56 -0.46 -0.10 0.00 -0.47 0.00 0.00 55.73 55.26 1t0y s ARG 78 Cb -0.22 -2.76 -0.05 0.00 -0.57 0.00 0.00 34.95 31.35 1t0y s ARG 78 CO 0.27 0.62 0.14 0.42 -1.08 0.00 0.00 175.30 175.67 1t0y s ILE 79 N -0.67 5.24 -0.22 4.99 -1.09 0.19 -0.92 121.20 128.72 1t0y s ILE 79 Ca 0.10 0.14 -0.05 0.00 -2.23 0.00 0.00 60.65 58.61 1t0y s ILE 79 Cb -0.12 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 1t0y s ILE 79 CO 0.02 0.37 -0.01 -2.28 -1.23 0.00 0.00 174.94 171.81 1t0y s HIS 80 N 0.89 3.00 -0.08 3.97 5.65 0.17 -0.20 115.29 128.69 1t0y s HIS 80 Ca 0.07 -0.72 -0.06 0.00 0.25 0.00 0.00 55.06 54.60 1t0y s HIS 80 Cb -0.13 -2.13 -0.04 0.00 -1.18 0.00 0.00 32.58 29.10 1t0y s HIS 80 CO 0.03 -0.44 0.17 0.00 -0.65 0.00 0.00 174.74 173.85 1t0y s ALA 81 N 1.40 3.89 0.03 1.58 0.00 0.17 0.51 121.76 129.33 1t0y s ALA 81 Ca 0.05 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1t0y s ALA 81 Cb -0.15 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 1t0y s ALA 81 CO -0.00 0.65 -0.05 0.54 0.00 0.00 0.00 175.76 176.89 1t0y s VAL 82 N -1.12 0.30 -0.22 0.00 0.11 0.88 -2.12 120.40 118.23 1t0y s VAL 82 Ca 0.19 -0.94 -0.13 0.00 -2.93 0.00 0.00 61.98 58.18 1t0y s VAL 82 Cb -0.12 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 1t0y s VAL 82 CO 0.09 -0.42 0.25 -0.62 -3.33 0.00 0.00 175.10 171.07 1t0y s ASP 83 N -1.44 6.24 0.03 3.54 -1.08 -1.26 -0.87 116.67 121.84 1t0y s ASP 83 Ca -0.13 0.27 0.03 0.00 -0.52 0.00 0.00 52.55 52.20 1t0y s ASP 83 Cb -0.10 -2.15 -0.25 0.00 -1.46 0.00 0.00 42.92 38.96 1t0y s ASP 83 CO -0.00 0.02 0.95 0.58 0.52 0.00 0.00 175.17 177.24 1t0y h VAL 84 N 5.00 1.27 0.00 1.11 2.07 -0.85 -3.27 116.25 121.58 1t0y h VAL 84 Ca -0.37 -2.97 -0.06 0.00 0.82 0.00 0.00 66.70 64.12 1t0y h VAL 84 Cb 1.17 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 1t0y h VAL 84 CO 0.68 0.80 -0.30 0.71 0.02 0.00 0.00 177.57 179.49 1t0y h THR 85 N 0.04 0.88 -0.01 2.57 1.35 -1.93 -2.14 112.91 113.68 1t0y h THR 85 Ca -0.18 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1t0y h THR 85 Cb 1.95 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 1t0y h THR 85 CO 0.14 0.30 -0.16 0.61 -0.25 0.00 0.00 175.52 176.16 1t0y n GLY 86 N -0.19 -0.70 2.28 5.82 0.00 -1.26 -4.92 105.19 106.22 1t0y n GLY 86 Ca -0.01 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 1.29 -0.08 3.80 -0.02 0.00 -0.80 -4.99 105.19 104.38 1t0y n GLY 87 Ca 0.14 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1t0y n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t0y s ASN 88 N -2.40 6.53 -0.50 1.61 2.20 -1.23 -3.94 114.94 117.20 1t0y s ASN 88 Ca 0.00 0.63 0.00 0.00 -0.94 0.00 0.00 52.86 52.55 1t0y s ASN 88 Cb 0.00 -2.17 0.00 0.00 -2.00 0.00 0.00 41.25 37.08 1t0y s ASN 88 CO 0.00 0.25 0.00 -0.62 -2.94 0.00 0.00 177.10 173.79 1t0y n GLU 89 N 2.64 -1.35 0.00 3.55 -0.58 -1.26 -4.59 120.64 119.04 1t0y n GLU 89 Ca -0.15 0.58 0.05 0.00 -0.42 0.00 0.00 57.16 57.22 1t0y n GLU 89 Cb 0.53 -4.70 0.04 0.00 -0.57 0.00 0.00 31.44 26.74 1t0y n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18