#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1on4 s MET 2 N 0.00 1.75 -1.14 -0.41 1.00 -1.26 -4.89 119.30 114.34 1on4 s MET 2 Ca 0.00 1.06 -0.22 0.00 0.00 0.00 0.00 55.69 56.53 1on4 s MET 2 Cb 0.00 -1.85 -0.09 0.00 0.00 0.00 0.00 34.83 32.90 1on4 s MET 2 CO 0.00 -1.97 1.92 1.28 0.00 0.00 0.00 175.02 176.25 1on4 n LEU 3 N -3.73 3.36 -0.02 -0.03 4.77 -1.26 -4.73 117.00 115.36 1on4 n LEU 3 Ca 0.08 -3.20 -0.01 0.00 -0.03 0.00 0.00 56.01 52.86 1on4 n LEU 3 Cb 0.54 -1.66 -0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1on4 n LEU 3 CO 0.54 -1.48 -0.05 -0.08 -1.33 0.00 0.00 177.39 174.99 1on4 h GLU 4 N 9.28 0.00 -1.54 3.23 4.81 -2.02 -3.43 114.58 124.91 1on4 h GLU 4 Ca 0.26 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 59.06 1on4 h GLU 4 Cb 0.89 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.87 1on4 h GLU 4 CO 1.34 0.00 -1.14 -0.89 -0.73 0.00 0.00 179.01 177.60 1on4 n ILE 5 N -3.20 0.69 -2.76 2.32 -0.00 -1.26 -4.96 119.36 110.18 1on4 n ILE 5 Ca -0.01 -3.98 -0.09 0.00 -0.00 0.00 0.00 62.75 58.67 1on4 n ILE 5 Cb 0.04 0.03 0.07 0.00 -0.00 0.00 0.00 39.64 39.77 1on4 n ILE 5 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1on4 n LYS 6 N 0.05 0.91 -3.94 0.38 3.00 -1.26 -5.12 118.16 112.18 1on4 n LYS 6 Ca 0.19 -1.91 -0.30 0.00 -0.00 0.00 0.00 58.31 56.29 1on4 n LYS 6 Cb 0.72 -1.24 -0.14 0.00 0.00 0.00 0.00 35.03 34.37 1on4 n LYS 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1on4 s ASP 7 N -1.48 4.36 0.25 3.14 1.01 -1.26 -4.87 116.67 117.83 1on4 s ASP 7 Ca 0.27 -2.72 -0.27 0.00 0.71 0.00 0.00 52.55 50.53 1on4 s ASP 7 Cb 0.26 -1.56 -0.09 0.00 1.01 0.00 0.00 42.92 42.54 1on4 s ASP 7 CO -0.14 -0.28 0.90 -2.16 0.21 0.00 0.00 175.17 173.71 1on4 s PRO 8 N 0.12 4.70 0.17 8.23 0.04 -1.26 -4.70 135.00 142.29 1on4 s PRO 8 Ca 0.15 1.35 0.08 0.00 0.04 0.00 0.00 61.00 62.62 1on4 s PRO 8 Cb -0.24 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1on4 s PRO 8 CO -0.03 0.45 -0.16 -0.48 0.04 0.00 0.00 177.00 176.83 1on4 s LEU 9 N -1.47 2.46 -0.45 -3.56 2.34 -1.25 -4.68 118.68 112.07 1on4 s LEU 9 Ca 0.43 -0.89 0.07 0.00 0.06 0.00 0.00 54.13 53.80 1on4 s LEU 9 Cb -0.23 -0.71 0.29 0.00 -0.56 0.00 0.00 46.19 44.98 1on4 s LEU 9 CO 0.28 -0.10 0.92 0.59 -1.06 0.00 0.00 176.35 176.98 1on4 n ASN 10 N 0.16 -1.68 -4.51 1.48 3.02 -0.91 -4.25 115.26 108.57 1on4 n ASN 10 Ca -0.12 -3.36 -0.43 0.00 -0.03 0.00 0.00 54.58 50.64 1on4 n ASN 10 Cb 0.58 1.18 -0.04 0.00 -0.61 0.00 0.00 39.78 40.89 1on4 n ASN 10 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1on4 s TYR 11 N -0.23 2.81 -0.53 3.10 6.14 -0.60 -4.69 117.35 123.36 1on4 s TYR 11 Ca 0.29 -0.12 -0.28 0.00 0.64 0.00 0.00 57.07 57.61 1on4 s TYR 11 Cb 0.27 -4.03 -0.00 0.00 0.42 0.00 0.00 41.96 38.61 1on4 s TYR 11 CO -0.12 -1.34 1.63 -1.21 0.64 0.00 0.00 175.55 175.15 1on4 s GLU 12 N 3.82 3.10 0.25 4.97 2.02 -1.26 -0.62 118.70 130.98 1on4 s GLU 12 Ca 0.28 0.72 -0.30 0.00 0.02 0.00 0.00 54.97 55.69 1on4 s GLU 12 Cb -0.14 -4.22 -0.09 0.00 0.10 0.00 0.00 34.13 29.78 1on4 s GLU 12 CO 0.18 -2.16 0.99 0.54 0.02 0.00 0.00 175.26 174.82 1on4 s VAL 13 N 7.16 3.90 -0.09 2.63 0.11 0.92 -4.35 120.40 130.68 1on4 s VAL 13 Ca 0.63 1.91 -0.30 0.00 -2.93 0.00 0.00 61.98 61.29 1on4 s VAL 13 Cb -0.14 -4.21 -0.02 0.00 -1.53 0.00 0.00 36.38 30.48 1on4 s VAL 13 CO 0.26 0.45 1.10 -0.70 -3.33 0.00 0.00 175.10 172.88 1on4 s GLU 14 N -1.24 4.38 0.23 1.54 2.12 -1.26 -4.86 118.70 119.61 1on4 s GLU 14 Ca 0.42 1.53 -0.31 0.00 0.36 0.00 0.00 54.97 56.97 1on4 s GLU 14 Cb -0.28 -3.56 -0.11 0.00 0.26 0.00 0.00 34.13 30.45 1on4 s GLU 14 CO 0.35 -0.39 1.60 -2.14 -0.54 0.00 0.00 175.26 174.14 1on4 s PRO 15 N 2.16 4.16 0.08 4.30 0.02 -1.26 -4.90 135.00 139.57 1on4 s PRO 15 Ca 0.52 2.50 -0.26 0.00 0.02 0.00 0.00 61.00 63.78 1on4 s PRO 15 Cb -0.21 -3.08 0.09 0.00 0.02 0.00 0.00 34.50 31.32 1on4 s PRO 15 CO 0.19 -0.63 1.14 0.12 -0.33 0.00 0.00 177.00 177.49 1on4 s PHE 16 N 0.59 -0.01 -0.45 6.54 5.36 -1.26 -4.99 117.98 123.75 1on4 s PHE 16 Ca 0.68 -0.23 -0.05 0.00 -0.96 0.00 0.00 56.93 56.36 1on4 s PHE 16 Cb -0.47 0.62 0.12 0.00 -0.34 0.00 0.00 43.02 42.95 1on4 s PHE 16 CO 0.39 -0.60 0.28 0.99 -1.46 0.00 0.00 175.22 174.82 1on4 s THR 17 N -2.44 3.66 0.49 0.12 2.01 -1.26 -1.79 115.64 116.43 1on4 s THR 17 Ca 0.19 -2.06 0.03 0.00 0.31 0.00 0.00 61.69 60.17 1on4 s THR 17 Cb 0.00 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 69.07 1on4 s THR 17 CO 0.01 -0.74 0.69 -0.36 -0.69 0.00 0.00 174.62 173.53 1on4 s PHE 18 N 1.09 2.90 -0.08 4.92 0.08 0.63 -4.90 117.98 122.63 1on4 s PHE 18 Ca 0.08 -0.10 0.03 0.00 0.12 0.00 0.00 56.93 57.06 1on4 s PHE 18 Cb -0.24 -2.55 0.01 0.00 -0.57 0.00 0.00 43.02 39.67 1on4 s PHE 18 CO -0.03 -0.64 -0.17 -0.65 -0.10 0.00 0.00 175.22 173.63 1on4 s GLN 19 N -4.59 2.20 0.45 0.44 1.11 -1.26 -0.82 119.66 117.18 1on4 s GLN 19 Ca 0.55 -0.60 -0.02 0.00 0.01 0.00 0.00 55.36 55.30 1on4 s GLN 19 Cb -0.10 -1.74 -0.02 0.00 -1.01 0.00 0.00 33.01 30.14 1on4 s GLN 19 CO 0.36 0.10 0.70 0.54 0.01 0.00 0.00 175.29 177.00 1on4 s ASN 20 N 0.50 6.02 0.65 5.90 4.22 0.13 -0.89 114.94 131.47 1on4 s ASN 20 Ca -0.15 0.54 0.11 0.00 -2.14 0.00 0.00 52.86 51.22 1on4 s ASN 20 Cb -0.16 -1.86 0.61 0.00 1.28 0.00 0.00 41.25 41.12 1on4 s ASN 20 CO 0.06 -0.62 1.34 0.06 -2.04 0.00 0.00 177.10 175.90 1on4 h GLN 21 N 0.37 0.00 0.00 3.55 -0.00 -1.15 0.20 115.11 118.07 1on4 h GLN 21 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 1on4 h GLN 21 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.71 1on4 h GLN 21 CO 0.60 0.00 0.00 -3.47 -0.00 0.00 0.00 178.83 175.96 1on4 n ASP 22 N -2.62 0.00 -0.33 0.06 2.03 -1.26 -4.86 116.55 109.57 1on4 n ASP 22 Ca -0.01 -0.30 -0.03 0.00 0.52 0.00 0.00 54.79 54.98 1on4 n ASP 22 Cb 0.76 -0.21 -0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1on4 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1on4 n GLY 23 N 0.88 0.27 3.29 0.27 0.00 0.66 -5.04 105.19 105.52 1on4 n GLY 23 Ca 0.15 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1on4 n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1on4 s LYS 24 N -4.05 1.58 0.07 1.61 2.36 -1.04 -4.94 119.74 115.33 1on4 s LYS 24 Ca 0.00 -1.01 -0.27 0.00 -2.55 0.00 0.00 55.97 52.14 1on4 s LYS 24 Cb 0.00 -1.72 -0.05 0.00 -1.05 0.00 0.00 37.83 35.01 1on4 s LYS 24 CO 0.00 0.44 0.85 0.54 1.55 0.00 0.00 175.35 178.74 1on4 s ASN 25 N -1.18 7.33 -0.08 1.43 4.22 -1.26 -0.69 114.94 124.71 1on4 s ASN 25 Ca 0.09 1.59 -0.03 0.00 -2.14 0.00 0.00 52.86 52.37 1on4 s ASN 25 Cb -0.09 -2.52 0.04 0.00 1.28 0.00 0.00 41.25 39.96 1on4 s ASN 25 CO 0.02 -0.03 0.16 0.68 -2.04 0.00 0.00 177.10 175.88 1on4 s VAL 26 N 0.03 -0.13 0.29 3.54 -7.23 -0.00 -4.92 120.40 111.98 1on4 s VAL 26 Ca 0.42 0.24 0.04 0.00 -1.81 0.00 0.00 61.98 60.88 1on4 s VAL 26 Cb -0.22 -0.27 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 1on4 s VAL 26 CO 0.26 0.10 0.44 -0.44 -0.31 0.00 0.00 175.10 175.15 1on4 s SER 27 N 1.56 6.20 0.30 4.85 0.01 -1.26 -0.27 113.70 125.09 1on4 s SER 27 Ca -0.05 0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.32 1on4 s SER 27 Cb -0.12 -1.71 0.60 0.00 0.21 0.00 0.00 66.02 65.01 1on4 s SER 27 CO -0.06 -0.24 1.85 0.25 0.41 0.00 0.00 173.24 175.45 1on4 h LEU 28 N 0.98 0.87 -1.98 2.44 5.85 -1.70 0.28 115.31 122.05 1on4 h LEU 28 Ca -0.50 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.38 1on4 h LEU 28 Cb 1.24 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1on4 h LEU 28 CO 0.59 0.48 0.31 -0.33 -0.34 0.00 0.00 178.44 179.14 1on4 h GLU 29 N 0.95 0.02 0.00 1.25 3.07 -1.91 0.27 114.58 118.22 1on4 h GLU 29 Ca 0.47 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1on4 h GLU 29 Cb 0.48 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1on4 h GLU 29 CO -0.23 0.01 0.00 0.43 -1.40 0.00 0.00 179.01 177.82 1on4 n SER 30 N -4.42 0.08 0.00 1.42 7.64 0.09 -3.48 113.62 114.95 1on4 n SER 30 Ca 0.07 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1on4 n SER 30 Cb 0.49 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1on4 n SER 30 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1on4 n LEU 31 N -1.60 1.82 -4.59 -3.43 4.77 0.21 -4.98 117.00 109.21 1on4 n LEU 31 Ca 0.01 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.54 1on4 n LEU 31 Cb 0.07 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1on4 n LEU 31 CO 0.07 0.30 0.57 0.29 -1.33 0.00 0.00 177.39 177.29 1on4 n LYS 32 N -2.15 1.32 0.00 3.23 5.02 0.69 -1.33 118.16 124.94 1on4 n LYS 32 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1on4 n LYS 32 Cb 0.39 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1on4 n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1on4 n GLY 33 N 1.28 3.07 3.93 0.72 0.00 0.57 -4.92 105.19 109.84 1on4 n GLY 33 Ca 0.10 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 1on4 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1on4 s GLU 34 N 0.00 3.52 -1.21 1.61 0.41 -0.44 -4.66 118.70 117.93 1on4 s GLU 34 Ca 0.00 -0.13 -0.09 0.00 -0.41 0.00 0.00 54.97 54.34 1on4 s GLU 34 Cb 0.00 -2.57 0.21 0.00 -1.78 0.00 0.00 34.13 29.99 1on4 s GLU 34 CO 0.00 0.05 1.60 1.55 -0.49 0.00 0.00 175.26 177.97 1on4 n VAL 35 N -1.82 4.54 -3.08 2.63 3.14 -1.26 -3.71 118.33 118.77 1on4 n VAL 35 Ca -0.03 -4.90 -0.37 0.00 -2.96 0.00 0.00 64.34 56.09 1on4 n VAL 35 Cb 0.56 -2.36 -0.06 0.00 -1.06 0.00 0.00 33.84 30.92 1on4 n VAL 35 CO 0.00 0.00 0.00 -1.66 -6.46 0.00 0.00 176.83 168.71 1on4 s TRP 36 N -0.11 3.69 0.15 1.45 1.48 -1.13 -4.76 118.94 119.70 1on4 s TRP 36 Ca 0.38 1.43 -0.15 0.00 -1.06 0.00 0.00 56.10 56.69 1on4 s TRP 36 Cb 0.03 -2.64 -0.07 0.00 -1.16 0.00 0.00 33.47 29.63 1on4 s TRP 36 CO 0.01 0.36 0.57 -0.51 -4.06 0.00 0.00 176.95 173.33 1on4 s LEU 37 N -1.85 4.36 -0.10 -4.66 1.43 0.11 -0.97 118.68 117.00 1on4 s LEU 37 Ca 0.42 1.13 0.02 0.00 -1.03 0.00 0.00 54.13 54.68 1on4 s LEU 37 Cb -0.18 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 1on4 s LEU 37 CO 0.22 0.11 -0.18 0.00 0.23 0.00 0.00 176.35 176.73 1on4 s ALA 38 N -1.43 2.43 0.26 4.21 0.00 0.12 0.14 121.76 127.48 1on4 s ALA 38 Ca 0.37 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.46 1on4 s ALA 38 Cb -0.16 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1on4 s ALA 38 CO 0.19 0.33 0.19 0.16 0.00 0.00 0.00 175.76 176.63 1on4 s ASP 39 N 0.13 5.46 -0.14 0.00 1.47 0.28 -0.47 116.67 123.40 1on4 s ASP 39 Ca -0.09 -0.29 -0.06 0.00 1.18 0.00 0.00 52.55 53.29 1on4 s ASP 39 Cb -0.15 -1.35 0.06 0.00 -0.34 0.00 0.00 42.92 41.14 1on4 s ASP 39 CO 0.06 -0.06 0.30 0.72 0.68 0.00 0.00 175.17 176.87 1on4 s PHE 40 N -2.16 -0.47 0.07 2.11 -0.71 -1.26 -0.75 117.98 114.81 1on4 s PHE 40 Ca 0.33 1.03 -0.11 0.00 -1.04 0.00 0.00 56.93 57.14 1on4 s PHE 40 Cb -0.08 0.09 0.01 0.00 -1.21 0.00 0.00 43.02 41.83 1on4 s PHE 40 CO 0.25 -0.32 0.24 0.96 -1.34 0.00 0.00 175.22 175.01 1on4 s ILE 41 N 1.82 0.11 -0.20 -4.49 -0.00 -1.00 -4.50 121.20 112.95 1on4 s ILE 41 Ca -0.05 -0.92 0.01 0.00 -0.00 0.00 0.00 60.65 59.69 1on4 s ILE 41 Cb -0.11 -1.11 0.04 0.00 -0.00 0.00 0.00 42.46 41.29 1on4 s ILE 41 CO -0.10 -0.51 -0.10 0.72 -0.00 0.00 0.00 174.94 174.96 1on4 s PHE 42 N -3.18 2.40 -0.17 1.37 -0.71 -1.26 -0.86 117.98 115.56 1on4 s PHE 42 Ca -0.00 -1.59 -0.07 0.00 -1.04 0.00 0.00 56.93 54.23 1on4 s PHE 42 Cb 0.02 -1.63 -0.22 0.00 -1.21 0.00 0.00 43.02 39.97 1on4 s PHE 42 CO -0.07 -0.74 0.17 0.25 -1.34 0.00 0.00 175.22 173.49 1on4 n THR 43 N 4.69 1.67 -1.44 -4.49 -2.24 -1.26 -4.65 114.28 106.55 1on4 n THR 43 Ca -0.14 -0.54 -0.26 0.00 -2.27 0.00 0.00 64.05 60.84 1on4 n THR 43 Cb 0.46 -1.72 -0.10 0.00 -2.10 0.00 0.00 70.33 66.88 1on4 n THR 43 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1on4 n ASN 44 N -3.61 1.74 0.02 3.42 5.15 -1.26 -2.71 115.26 118.02 1on4 n ASN 44 Ca -0.36 -2.55 0.00 0.00 -0.60 0.00 0.00 54.58 51.06 1on4 n ASN 44 Cb 0.98 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.78 1on4 n ASN 44 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1on4 n GLU 46 N -2.46 0.94 0.00 0.00 2.13 -1.10 -5.10 120.64 115.05 1on4 n GLU 46 Ca 0.00 -3.07 0.00 0.00 0.66 0.00 0.00 57.16 54.75 1on4 n GLU 46 Cb 0.00 0.74 0.00 0.00 0.27 0.00 0.00 31.44 32.45 1on4 n GLU 46 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1on4 n THR 47 N -1.15 0.00 -3.48 6.31 -2.24 -1.26 -4.99 114.28 107.48 1on4 n THR 47 Ca -0.15 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1on4 n THR 47 Cb 0.54 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 1on4 n THR 47 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1on4 s ILE 48 N 0.00 0.00 0.20 2.28 -1.16 -1.26 -5.00 121.20 116.26 1on4 s ILE 48 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 1on4 s ILE 48 Cb 0.00 -1.00 0.00 0.00 0.61 0.00 0.00 42.46 42.07 1on4 s ILE 48 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 174.94 172.13 1on4 s PRO 50 N -1.42 2.18 -0.92 0.00 0.04 -1.26 -4.87 135.00 128.74 1on4 s PRO 50 Ca 0.00 1.21 -0.21 0.00 0.04 0.00 0.00 61.00 62.04 1on4 s PRO 50 Cb 0.00 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 1on4 s PRO 50 CO 0.00 -1.71 1.97 -0.35 0.04 0.00 0.00 177.00 176.95 1on4 n PRO 51 N -3.53 1.75 0.29 0.56 -0.04 -1.26 -4.75 135.00 128.02 1on4 n PRO 51 Ca 0.09 -2.04 -0.12 0.00 -0.04 0.00 0.00 63.50 61.39 1on4 n PRO 51 Cb 0.53 -3.06 -0.06 0.00 -0.04 0.00 0.00 33.50 30.88 1on4 n PRO 51 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1on4 h MET 52 N 7.76 -0.73 -0.52 0.54 2.86 -1.97 -3.34 114.93 119.54 1on4 h MET 52 Ca 0.43 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1on4 h MET 52 Cb 0.69 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1on4 h MET 52 CO 1.88 -0.49 0.00 2.41 1.06 0.00 0.00 176.91 181.77 1on4 n THR 53 N -4.62 0.77 -0.03 2.22 -1.04 -1.26 -4.37 114.28 105.95 1on4 n THR 53 Ca -0.09 -0.89 -0.09 0.00 -2.04 0.00 0.00 64.05 60.94 1on4 n THR 53 Cb 0.30 0.72 -0.03 0.00 -1.82 0.00 0.00 70.33 69.49 1on4 n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1on4 h ALA 54 N 3.94 0.10 0.04 2.41 0.00 -1.94 0.24 119.26 124.04 1on4 h ALA 54 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1on4 h ALA 54 Cb 0.93 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1on4 h ALA 54 CO 0.00 -0.49 -0.02 0.45 0.00 0.00 0.00 179.25 179.20 1on4 h HIS 55 N -0.01 -0.04 -0.96 0.00 3.86 -1.78 0.15 115.15 116.36 1on4 h HIS 55 Ca 0.08 -0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.44 1on4 h HIS 55 Cb 0.13 0.01 -0.09 0.00 1.06 0.00 0.00 27.41 28.53 1on4 h HIS 55 CO -0.20 0.23 0.61 0.52 0.86 0.00 0.00 177.93 179.95 1on4 h MET 56 N -0.32 0.77 -0.18 2.45 2.86 -1.79 1.00 114.93 119.72 1on4 h MET 56 Ca -0.00 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1on4 h MET 56 Cb 0.30 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1on4 h MET 56 CO 0.01 0.51 -0.03 1.15 1.06 0.00 0.00 176.91 179.61 1on4 h THR 57 N 0.79 1.28 -0.83 2.22 2.02 0.37 0.35 112.91 119.10 1on4 h THR 57 Ca 0.50 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 66.75 1on4 h THR 57 Cb 0.73 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 1on4 h THR 57 CO -0.27 0.29 0.54 -0.78 0.37 0.00 0.00 175.52 175.67 1on4 h ASP 58 N 0.06 0.93 0.64 4.18 3.58 -0.10 -0.88 116.42 124.82 1on4 h ASP 58 Ca 0.05 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 1on4 h ASP 58 Cb 0.45 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1on4 h ASP 58 CO 0.01 0.66 -0.32 -0.07 -2.88 0.00 0.00 179.24 176.64 1on4 h LEU 59 N 1.09 0.00 -0.82 2.28 4.07 -0.60 -3.14 115.31 118.18 1on4 h LEU 59 Ca 0.32 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.34 1on4 h LEU 59 Cb -0.07 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.61 1on4 h LEU 59 CO -0.09 0.32 0.51 -0.61 -1.08 0.00 0.00 178.44 177.49 1on4 h GLN 60 N 0.00 0.90 0.10 1.13 -0.00 0.12 0.38 115.11 117.73 1on4 h GLN 60 Ca -0.00 -0.05 0.02 0.00 -0.00 0.00 0.00 58.65 58.61 1on4 h GLN 60 Cb 0.73 -0.20 -0.05 0.00 0.00 0.00 0.00 27.48 27.96 1on4 h GLN 60 CO 0.04 0.60 -0.40 -0.22 0.00 0.00 0.00 178.83 178.85 1on4 h LYS 61 N 0.93 -0.60 -0.45 1.69 3.64 -1.48 -2.21 116.57 118.08 1on4 h LYS 61 Ca 0.36 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.87 1on4 h LYS 61 Cb 0.16 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 32.03 1on4 h LYS 61 CO -0.17 -0.40 -0.12 -0.22 -2.27 0.00 0.00 179.45 176.27 1on4 h LYS 62 N -0.62 -0.01 -0.83 1.90 1.63 -1.33 -2.76 116.57 114.55 1on4 h LYS 62 Ca 0.03 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 60.04 1on4 h LYS 62 Cb 0.66 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.15 1on4 h LYS 62 CO -0.25 -0.01 0.12 1.25 -3.45 0.00 0.00 179.45 177.11 1on4 h LEU 63 N -0.01 -0.18 -1.42 5.20 7.12 0.29 0.18 115.31 126.48 1on4 h LEU 63 Ca 0.21 0.20 0.32 0.00 0.13 0.00 0.00 57.88 58.75 1on4 h LEU 63 Cb 0.34 0.31 -0.10 0.00 -0.53 0.00 0.00 40.66 40.68 1on4 h LEU 63 CO -0.47 -0.17 0.74 0.50 -0.13 0.00 0.00 178.44 178.91 1on4 h LYS 64 N 0.15 0.26 0.11 1.25 1.63 -1.12 0.77 116.57 119.63 1on4 h LYS 64 Ca 0.49 -0.02 -0.27 0.00 -0.85 0.00 0.00 60.65 60.00 1on4 h LYS 64 Cb 0.93 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1on4 h LYS 64 CO -0.67 0.17 -1.20 0.00 -3.45 0.00 0.00 179.45 174.30 1on4 h ALA 65 N 1.60 0.12 0.00 5.00 0.00 -0.81 -3.22 119.26 121.94 1on4 h ALA 65 Ca 0.66 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1on4 h ALA 65 Cb 1.89 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1on4 h ALA 65 CO -0.31 0.85 0.00 0.93 0.00 0.00 0.00 179.25 180.72 1on4 h GLU 66 N 0.15 0.00 -2.12 0.00 4.39 -0.16 -3.38 114.58 113.46 1on4 h GLU 66 Ca -0.14 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.46 1on4 h GLU 66 Cb 1.89 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.50 1on4 h GLU 66 CO 0.21 0.00 -0.13 -1.71 -1.16 0.00 0.00 179.01 176.22 1on4 n ASN 67 N -2.52 4.21 0.00 1.42 4.05 0.23 -3.90 115.26 118.76 1on4 n ASN 67 Ca 0.03 -2.22 0.00 0.00 0.45 0.00 0.00 54.58 52.84 1on4 n ASN 67 Cb 0.33 -1.04 0.00 0.00 1.23 0.00 0.00 39.78 40.30 1on4 n ASN 67 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1on4 n ILE 68 N 2.21 0.00 -2.49 -1.44 -0.00 -1.26 -4.63 119.36 111.75 1on4 n ILE 68 Ca 0.21 1.38 -0.01 0.00 -0.00 0.00 0.00 62.75 64.32 1on4 n ILE 68 Cb 0.60 -2.01 0.03 0.00 -0.00 0.00 0.00 39.64 38.26 1on4 n ILE 68 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1on4 n ASP 69 N -2.27 0.04 -4.77 4.38 2.03 -1.26 -5.11 116.55 109.59 1on4 n ASP 69 Ca 0.00 -2.06 -0.38 0.00 0.52 0.00 0.00 54.79 52.87 1on4 n ASP 69 Cb 0.00 0.04 -0.05 0.00 -0.72 0.00 0.00 41.12 40.40 1on4 n ASP 69 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1on4 s VAL 70 N -0.87 3.71 0.15 5.18 -7.23 -1.25 -4.90 120.40 115.19 1on4 s VAL 70 Ca 0.18 1.50 0.06 0.00 -1.81 0.00 0.00 61.98 61.91 1on4 s VAL 70 Cb 0.28 -3.87 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 1on4 s VAL 70 CO -0.09 0.19 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.63 1on4 s ARG 71 N -1.95 1.12 -0.60 4.82 0.52 -1.26 -4.40 118.95 117.21 1on4 s ARG 71 Ca 0.51 -1.38 -0.15 0.00 -0.52 0.00 0.00 55.73 54.19 1on4 s ARG 71 Cb -0.26 -0.93 0.15 0.00 0.52 0.00 0.00 34.95 34.43 1on4 s ARG 71 CO 0.32 0.16 0.54 -1.50 0.02 0.00 0.00 175.30 174.85 1on4 s ILE 72 N -2.58 5.20 0.56 1.52 2.07 -0.99 -0.72 121.20 126.26 1on4 s ILE 72 Ca 0.14 -1.75 -0.16 0.00 -1.41 0.00 0.00 60.65 57.47 1on4 s ILE 72 Cb -0.02 -4.31 -0.05 0.00 0.13 0.00 0.00 42.46 38.20 1on4 s ILE 72 CO 0.04 -0.90 1.03 -0.63 -1.91 0.00 0.00 174.94 172.57 1on4 s ILE 73 N 1.25 4.10 -0.11 2.00 1.09 0.12 -2.67 121.20 126.99 1on4 s ILE 73 Ca 0.07 1.00 0.00 0.00 -1.10 0.00 0.00 60.65 60.62 1on4 s ILE 73 Cb -0.25 -3.52 0.02 0.00 -1.06 0.00 0.00 42.46 37.65 1on4 s ILE 73 CO 0.00 -0.58 -0.10 -0.55 -0.10 0.00 0.00 174.94 173.61 1on4 s SER 74 N -2.91 2.19 -0.26 3.58 0.15 0.18 -0.56 113.70 116.06 1on4 s SER 74 Ca 0.62 -0.33 -0.16 0.00 0.70 0.00 0.00 55.95 56.78 1on4 s SER 74 Cb -0.14 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.25 1on4 s SER 74 CO 0.35 -0.08 0.40 0.12 1.20 0.00 0.00 173.24 175.23 1on4 s PHE 75 N 1.47 3.27 -0.44 3.44 2.19 0.07 0.06 117.98 128.03 1on4 s PHE 75 Ca 0.01 0.48 -0.29 0.00 0.33 0.00 0.00 56.93 57.46 1on4 s PHE 75 Cb -0.13 -2.59 0.01 0.00 -1.31 0.00 0.00 43.02 39.00 1on4 s PHE 75 CO -0.06 -0.21 1.41 -1.12 1.83 0.00 0.00 175.22 177.07 1on4 s SER 76 N 1.55 6.30 -0.79 6.13 0.01 -0.71 -2.37 113.70 123.82 1on4 s SER 76 Ca 0.17 0.74 -0.26 0.00 1.31 0.00 0.00 55.95 57.90 1on4 s SER 76 Cb -0.16 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.56 1on4 s SER 76 CO 0.09 -1.48 1.44 -0.69 0.41 0.00 0.00 173.24 173.01 1on4 s VAL 77 N 5.54 3.70 -0.11 3.43 1.01 -0.04 -3.98 120.40 129.94 1on4 s VAL 77 Ca 0.60 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 1on4 s VAL 77 Cb -0.13 -4.76 0.00 0.00 0.00 0.00 0.00 36.38 31.49 1on4 s VAL 77 CO 0.32 -1.69 0.11 -0.67 0.00 0.00 0.00 175.10 173.16 1on4 n ASP 78 N 10.02 -2.89 0.13 3.32 -0.08 -1.26 -4.54 116.55 121.24 1on4 n ASP 78 Ca 0.14 -0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.55 1on4 n ASP 78 Cb 0.50 -1.66 0.46 0.00 2.34 0.00 0.00 41.12 42.76 1on4 n ASP 78 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1on4 n PRO 79 N -1.05 0.23 0.12 -0.67 -0.04 -1.26 -0.67 135.00 131.67 1on4 n PRO 79 Ca 0.00 0.35 -0.13 0.00 -0.04 0.00 0.00 63.50 63.68 1on4 n PRO 79 Cb 0.45 -1.87 -0.07 0.00 -0.04 0.00 0.00 33.50 31.98 1on4 n PRO 79 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1on4 h GLU 80 N 0.00 -0.23 0.34 0.54 4.81 -1.93 -1.70 114.58 116.40 1on4 h GLU 80 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1on4 h GLU 80 Cb 0.52 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1on4 h GLU 80 CO 0.00 -0.15 -0.16 -2.95 -0.73 0.00 0.00 179.01 175.02 1on4 h ASN 81 N -0.24 -0.38 -0.03 1.04 -1.07 -1.90 -3.37 115.58 109.63 1on4 h ASN 81 Ca -0.02 -0.11 -0.71 0.00 0.07 0.00 0.00 56.30 55.54 1on4 h ASN 81 Cb 0.20 0.10 -0.04 0.00 -2.07 0.00 0.00 38.32 36.50 1on4 h ASN 81 CO 0.02 0.08 3.10 -0.67 0.07 0.00 0.00 177.43 180.03 1on4 n ASP 82 N -5.08 3.89 -4.70 6.14 -0.08 0.16 -4.95 116.55 111.92 1on4 n ASP 82 Ca -0.07 -2.84 -0.44 0.00 -1.51 0.00 0.00 54.79 49.93 1on4 n ASP 82 Cb 0.24 -1.66 -0.02 0.00 2.34 0.00 0.00 41.12 42.02 1on4 n ASP 82 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1on4 n LYS 83 N 6.18 2.32 0.23 -0.67 2.85 -0.65 -4.34 118.16 124.08 1on4 n LYS 83 Ca 0.52 0.83 0.16 0.00 -1.05 0.00 0.00 58.31 58.76 1on4 n LYS 83 Cb 0.39 -2.55 0.68 0.00 -0.65 0.00 0.00 35.03 32.90 1on4 n LYS 83 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1on4 h PRO 84 N 4.67 0.00 -0.90 -1.58 0.13 -1.93 0.65 132.00 133.04 1on4 h PRO 84 Ca -0.46 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1on4 h PRO 84 Cb 1.25 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 1on4 h PRO 84 CO 0.79 0.00 0.59 0.87 -0.23 0.00 0.00 178.00 180.02 1on4 h LYS 85 N 0.00 1.13 -0.49 0.86 6.56 -1.99 0.11 116.57 122.75 1on4 h LYS 85 Ca 0.08 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.57 1on4 h LYS 85 Cb 1.08 -0.25 -0.02 0.00 -0.57 0.00 0.00 32.23 32.46 1on4 h LYS 85 CO -0.00 0.75 0.17 1.96 -2.06 0.00 0.00 179.45 180.27 1on4 h GLN 86 N 1.16 0.75 -0.26 3.15 1.08 -1.19 -0.00 115.11 119.80 1on4 h GLN 86 Ca 0.35 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1on4 h GLN 86 Cb -0.04 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 1on4 h GLN 86 CO -0.11 0.69 0.17 -0.07 -0.95 0.00 0.00 178.83 178.56 1on4 h LEU 87 N 0.66 0.30 -0.51 1.46 3.38 -1.56 0.95 115.31 119.99 1on4 h LEU 87 Ca 0.16 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1on4 h LEU 87 Cb 0.24 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1on4 h LEU 87 CO -0.01 0.23 0.04 0.50 0.09 0.00 0.00 178.44 179.29 1on4 h LYS 88 N 0.34 0.87 0.06 1.13 3.64 -0.46 0.24 116.57 122.39 1on4 h LYS 88 Ca 0.09 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1on4 h LYS 88 Cb -0.02 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1on4 h LYS 88 CO -0.02 0.88 -0.03 0.87 -2.27 0.00 0.00 179.45 178.88 1on4 h LYS 89 N 0.74 -0.08 -0.40 1.90 1.57 -0.83 0.65 116.57 120.13 1on4 h LYS 89 Ca 0.15 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 1on4 h LYS 89 Cb 0.47 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 1on4 h LYS 89 CO 0.02 -0.03 0.00 0.35 -0.57 0.00 0.00 179.45 179.22 1on4 h PHE 90 N -0.10 -0.02 0.12 -1.35 3.04 -0.58 0.09 116.94 118.14 1on4 h PHE 90 Ca -0.01 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.98 1on4 h PHE 90 Cb 0.08 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 1on4 h PHE 90 CO -0.07 -0.07 -0.15 0.00 -2.02 0.00 0.00 178.31 176.00 1on4 h ALA 91 N 1.35 -0.27 -0.19 2.41 0.00 -0.35 -1.26 119.26 120.95 1on4 h ALA 91 Ca 0.19 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1on4 h ALA 91 Cb 0.27 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1on4 h ALA 91 CO -0.32 -0.68 0.20 0.00 0.00 0.00 0.00 179.25 178.45 1on4 h ALA 92 N 0.54 1.82 -0.10 0.00 0.00 -0.15 0.11 119.26 121.48 1on4 h ALA 92 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1on4 h ALA 92 Cb 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1on4 h ALA 92 CO -0.06 -0.30 -0.30 -0.91 0.00 0.00 0.00 179.25 177.68 1on4 h ASN 93 N 0.00 0.18 -3.71 0.00 -0.26 0.24 -3.42 115.58 108.61 1on4 h ASN 93 Ca 0.09 -0.06 -0.50 0.00 -0.56 0.00 0.00 56.30 55.28 1on4 h ASN 93 Cb 0.50 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.68 1on4 h ASN 93 CO -0.00 0.48 0.27 -0.31 -1.06 0.00 0.00 177.43 176.80 1on4 s TYR 94 N -4.37 3.82 -1.45 1.19 1.51 0.38 -4.96 117.35 113.48 1on4 s TYR 94 Ca -0.04 1.72 -0.10 0.00 -1.01 0.00 0.00 57.07 57.64 1on4 s TYR 94 Cb 0.14 -2.85 -0.07 0.00 -0.11 0.00 0.00 41.96 39.07 1on4 s TYR 94 CO 0.75 0.38 2.67 -0.35 -1.11 0.00 0.00 175.55 177.88 1on4 n PRO 95 N 1.11 3.21 -3.93 -1.71 -0.04 -1.26 -4.89 135.00 127.48 1on4 n PRO 95 Ca -0.02 -2.11 -0.21 0.00 -0.04 0.00 0.00 63.50 61.12 1on4 n PRO 95 Cb 0.49 -2.82 -0.02 0.00 -0.04 0.00 0.00 33.50 31.11 1on4 n PRO 95 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1on4 s LEU 96 N 0.50 4.18 -0.09 1.53 0.05 -1.26 -5.02 118.68 118.57 1on4 s LEU 96 Ca 0.61 -0.02 -0.04 0.00 0.05 0.00 0.00 54.13 54.72 1on4 s LEU 96 Cb 0.16 -2.75 -0.04 0.00 -2.05 0.00 0.00 46.19 41.51 1on4 s LEU 96 CO -0.05 -0.11 0.10 -0.55 -0.55 0.00 0.00 176.35 175.18 1on4 s SER 97 N -3.98 5.98 0.38 1.48 0.15 -1.26 -4.98 113.70 111.47 1on4 s SER 97 Ca 0.35 0.33 0.27 0.00 0.70 0.00 0.00 55.95 57.61 1on4 s SER 97 Cb -0.09 -1.85 1.33 0.00 -1.71 0.00 0.00 66.02 63.70 1on4 s SER 97 CO 0.29 0.38 1.83 -0.26 1.20 0.00 0.00 173.24 176.67 1on4 h PHE 98 N 4.86 0.00 0.00 3.44 0.04 -2.00 -3.41 116.94 119.86 1on4 h PHE 98 Ca -0.53 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.24 1on4 h PHE 98 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 1on4 h PHE 98 CO 0.70 0.00 0.00 -3.47 -0.60 0.00 0.00 178.31 174.94 1on4 n ASP 99 N -2.49 0.00 -2.69 2.17 2.03 -1.26 -0.61 116.55 113.70 1on4 n ASP 99 Ca -0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.24 1on4 n ASP 99 Cb 0.14 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.65 1on4 n ASP 99 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1on4 n ASN 100 N 0.00 -1.29 -3.59 1.67 5.15 -1.26 -5.07 115.26 110.87 1on4 n ASN 100 Ca 0.00 -2.45 -0.29 0.00 -0.60 0.00 0.00 54.58 51.23 1on4 n ASN 100 Cb 0.00 0.72 -0.14 0.00 -0.53 0.00 0.00 39.78 39.83 1on4 n ASN 100 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 1on4 s TRP 101 N -0.38 0.84 -0.56 1.20 -0.11 0.22 -2.35 118.94 117.80 1on4 s TRP 101 Ca 0.21 -1.32 -0.18 0.00 1.22 0.00 0.00 56.10 56.03 1on4 s TRP 101 Cb 0.41 -1.17 0.10 0.00 -1.50 0.00 0.00 33.47 31.31 1on4 s TRP 101 CO -0.08 -0.84 0.63 -0.51 -4.62 0.00 0.00 176.95 171.53 1on4 s ASP 102 N 1.69 6.19 -0.72 5.86 1.01 -1.09 -4.87 116.67 124.74 1on4 s ASP 102 Ca 0.11 -1.42 -0.27 0.00 0.71 0.00 0.00 52.55 51.68 1on4 s ASP 102 Cb -0.18 -2.27 0.02 0.00 1.01 0.00 0.00 42.92 41.49 1on4 s ASP 102 CO -0.25 -0.99 1.46 -0.36 0.21 0.00 0.00 175.17 175.24 1on4 s PHE 103 N 2.37 2.11 -0.06 4.23 0.40 -1.26 -0.65 117.98 125.11 1on4 s PHE 103 Ca 0.10 0.16 -0.30 0.00 -0.60 0.00 0.00 56.93 56.29 1on4 s PHE 103 Cb -0.25 -4.47 -0.02 0.00 0.51 0.00 0.00 43.02 38.79 1on4 s PHE 103 CO 0.06 -2.13 1.02 -0.51 0.70 0.00 0.00 175.22 174.37 1on4 s LEU 104 N 6.73 4.29 -0.01 -0.37 1.43 0.11 -0.58 118.68 130.29 1on4 s LEU 104 Ca 0.45 1.62 -0.03 0.00 -1.03 0.00 0.00 54.13 55.14 1on4 s LEU 104 Cb -0.09 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 1on4 s LEU 104 CO 0.15 -0.40 0.47 0.71 0.23 0.00 0.00 176.35 177.51 1on4 h THR 105 N 4.97 0.00 -0.03 5.49 1.35 -1.31 -1.89 112.91 121.50 1on4 h THR 105 Ca -0.35 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 1on4 h THR 105 Cb 1.17 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1on4 h THR 105 CO 0.82 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 176.69 1on4 n GLY 106 N 0.65 0.47 6.35 5.82 0.00 -1.26 -4.42 105.19 112.81 1on4 n GLY 106 Ca -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.83 1on4 n GLY 106 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1on4 n TYR 107 N -2.88 -1.78 -0.84 1.61 9.36 -1.26 -2.96 117.16 118.41 1on4 n TYR 107 Ca -0.01 0.12 -0.29 0.00 3.32 0.00 0.00 57.90 61.05 1on4 n TYR 107 Cb 0.07 -0.06 0.20 0.00 -0.63 0.00 0.00 39.34 38.93 1on4 n TYR 107 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1on4 s SER 108 N -4.10 2.06 0.15 2.98 0.01 -1.26 -4.29 113.70 109.26 1on4 s SER 108 Ca 0.00 1.51 -0.10 0.00 1.31 0.00 0.00 55.95 58.67 1on4 s SER 108 Cb 0.00 -2.20 0.19 0.00 0.21 0.00 0.00 66.02 64.22 1on4 s SER 108 CO 0.00 -3.53 0.99 0.00 0.41 0.00 0.00 173.24 171.11 1on4 n GLN 109 N -4.47 -0.13 -0.36 12.44 3.00 -1.26 -0.34 117.38 126.27 1on4 n GLN 109 Ca 0.05 0.98 0.05 0.00 -0.01 0.00 0.00 57.00 58.07 1on4 n GLN 109 Cb 0.55 -1.46 0.12 0.00 0.00 0.00 0.00 30.24 29.45 1on4 n GLN 109 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1on4 n SER 110 N -4.96 -0.40 0.04 1.08 7.64 -1.26 -0.30 113.62 115.46 1on4 n SER 110 Ca 0.07 1.70 -0.02 0.00 1.01 0.00 0.00 58.87 61.63 1on4 n SER 110 Cb 0.27 -0.49 -0.01 0.00 -1.01 0.00 0.00 64.21 62.97 1on4 n SER 110 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1on4 h GLU 111 N 0.00 -0.15 -0.07 1.43 4.81 -0.94 -3.41 114.58 116.25 1on4 h GLU 111 Ca 0.45 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.60 1on4 h GLU 111 Cb 0.70 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1on4 h GLU 111 CO -1.01 -0.10 -0.37 0.97 -0.73 0.00 0.00 179.01 177.78 1on4 h ILE 112 N -0.48 1.28 -0.19 2.32 6.09 -0.88 -3.36 117.51 122.29 1on4 h ILE 112 Ca -0.02 -1.36 0.02 0.00 -1.37 0.00 0.00 64.86 62.13 1on4 h ILE 112 Cb 0.12 1.64 -0.03 0.00 0.47 0.00 0.00 36.82 39.02 1on4 h ILE 112 CO 0.03 0.40 -0.15 -0.08 -3.07 0.00 0.00 178.15 175.28 1on4 h GLU 113 N 0.13 -0.04 -0.84 2.19 4.22 -0.90 0.24 114.58 119.58 1on4 h GLU 113 Ca 0.01 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.47 1on4 h GLU 113 Cb 0.71 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1on4 h GLU 113 CO 0.05 -0.03 0.56 1.49 -2.18 0.00 0.00 179.01 178.90 1on4 h GLU 114 N -0.04 1.11 -0.22 1.92 4.81 -1.82 0.13 114.58 120.47 1on4 h GLU 114 Ca 0.03 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1on4 h GLU 114 Cb 0.12 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1on4 h GLU 114 CO -0.20 0.74 0.06 0.35 -0.73 0.00 0.00 179.01 179.23 1on4 h PHE 115 N 1.14 0.10 -0.50 0.92 3.57 -1.52 0.11 116.94 120.77 1on4 h PHE 115 Ca 0.31 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 1on4 h PHE 115 Cb -0.13 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1on4 h PHE 115 CO -0.01 0.04 0.14 0.00 -2.23 0.00 0.00 178.31 176.25 1on4 h ALA 116 N 1.15 0.66 0.55 2.41 0.00 0.25 0.73 119.26 125.00 1on4 h ALA 116 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1on4 h ALA 116 Cb 0.08 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1on4 h ALA 116 CO -0.11 0.33 -0.26 -0.07 0.00 0.00 0.00 179.25 179.13 1on4 h LEU 117 N 0.69 -0.63 0.50 0.00 -0.00 -0.42 0.21 115.31 115.66 1on4 h LEU 117 Ca 0.16 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.03 1on4 h LEU 117 Cb 0.30 0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 1on4 h LEU 117 CO -0.00 -0.43 -0.35 0.11 -0.00 0.00 0.00 178.44 177.77 1on4 h LYS 118 N -0.77 -0.79 0.43 1.13 1.79 -0.74 -2.66 116.57 114.95 1on4 h LYS 118 Ca -0.08 0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1on4 h LYS 118 Cb 0.58 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1on4 h LYS 118 CO 0.12 -0.53 -0.21 0.77 -1.08 0.00 0.00 179.45 178.53 1on4 h SER 119 N -0.82 -0.49 0.00 0.86 0.02 -0.88 -3.44 113.55 108.80 1on4 h SER 119 Ca -0.05 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1on4 h SER 119 Cb 0.69 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1on4 h SER 119 CO 0.03 -0.24 -0.22 0.49 -1.14 0.00 0.00 176.83 175.75 1on4 n PHE 120 N -5.28 0.00 -0.92 3.45 3.72 0.46 -4.76 117.46 114.13 1on4 n PHE 120 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1on4 n PHE 120 Cb 0.28 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1on4 n PHE 120 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1on4 n LYS 121 N -3.46 0.00 -4.33 -1.08 0.00 0.41 -4.96 118.16 104.74 1on4 n LYS 121 Ca -0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.00 1on4 n LYS 121 Cb 0.11 -1.15 -0.07 0.00 -0.00 0.00 0.00 35.03 33.93 1on4 n LYS 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1on4 s ALA 122 N -1.92 3.84 0.28 0.58 0.00 -1.16 -4.74 121.76 118.64 1on4 s ALA 122 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1on4 s ALA 122 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1on4 s ALA 122 CO 0.00 -0.17 0.00 -0.89 0.00 0.00 0.00 175.76 174.70 1on4 n ILE 123 N -1.31 0.00 -3.53 0.00 -0.00 -1.26 -3.99 119.36 109.27 1on4 n ILE 123 Ca -0.07 0.21 -0.22 0.00 -0.00 0.00 0.00 62.75 62.68 1on4 n ILE 123 Cb 0.66 -0.53 0.08 0.00 -0.00 0.00 0.00 39.64 39.84 1on4 n ILE 123 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1on4 n VAL 124 N -3.49 -3.46 0.00 1.39 0.31 -1.26 -4.39 118.33 107.43 1on4 n VAL 124 Ca -0.02 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1on4 n VAL 124 Cb 0.43 -4.11 0.00 0.00 -0.91 0.00 0.00 33.84 29.25 1on4 n VAL 124 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1on4 n LYS 125 N -4.70 0.00 -2.42 5.55 4.76 -1.26 -4.43 118.16 115.66 1on4 n LYS 125 Ca -0.05 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.97 1on4 n LYS 125 Cb 0.58 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.74 1on4 n LYS 125 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1on4 s LYS 126 N 0.00 4.31 1.08 1.97 3.01 -1.26 -4.83 119.74 124.02 1on4 s LYS 126 Ca 0.00 1.71 -0.18 0.00 -1.01 0.00 0.00 55.97 56.49 1on4 s LYS 126 Cb 0.00 -3.61 0.26 0.00 -1.01 0.00 0.00 37.83 33.47 1on4 s LYS 126 CO 0.00 -0.53 1.05 -0.35 0.51 0.00 0.00 175.35 176.03 1on4 n PRO 127 N 5.58 -2.60 -0.32 -1.68 -0.04 -1.26 -4.91 135.00 129.76 1on4 n PRO 127 Ca 0.12 -1.66 0.19 0.00 -0.04 0.00 0.00 63.50 62.11 1on4 n PRO 127 Cb 0.46 -1.45 0.40 0.00 -0.04 0.00 0.00 33.50 32.86 1on4 n PRO 127 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1on4 h GLU 128 N 0.00 0.31 -4.43 0.54 5.08 -1.95 -3.38 114.58 110.76 1on4 h GLU 128 Ca -0.38 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 57.65 1on4 h GLU 128 Cb 1.14 -0.07 -0.26 0.00 0.50 0.00 0.00 28.75 30.06 1on4 h GLU 128 CO 0.25 0.21 -0.75 0.20 -1.00 0.00 0.00 179.01 177.92 1on4 s GLY 129 N -4.06 0.36 0.31 -3.84 0.00 -1.26 -5.13 107.32 93.69 1on4 s GLY 129 Ca -0.11 -0.42 -0.29 0.00 0.00 0.00 0.00 44.72 43.90 1on4 s GLY 129 CO 0.78 -0.41 1.43 -0.54 0.00 0.00 0.00 173.10 174.36 1on4 s GLU 130 N -0.63 4.24 0.00 2.90 2.02 -1.26 -4.63 118.70 121.34 1on4 s GLU 130 Ca -0.02 2.37 0.00 0.00 0.02 0.00 0.00 54.97 57.34 1on4 s GLU 130 Cb -0.05 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1on4 s GLU 130 CO 0.00 -0.40 0.00 -3.47 0.02 0.00 0.00 175.26 171.41 1on4 n ASP 131 N 1.46 0.00 -4.74 -0.19 -0.08 -1.26 -5.11 116.55 106.63 1on4 n ASP 131 Ca 0.04 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.05 1on4 n ASP 131 Cb 0.40 0.08 -0.07 0.00 2.34 0.00 0.00 41.12 43.87 1on4 n ASP 131 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1on4 s GLN 132 N -1.78 2.18 -1.58 -0.67 -0.21 -1.26 -4.69 119.66 111.65 1on4 s GLN 132 Ca 0.00 -1.98 -0.12 0.00 0.02 0.00 0.00 55.36 53.28 1on4 s GLN 132 Cb 0.00 -1.88 0.09 0.00 1.00 0.00 0.00 33.01 32.23 1on4 s GLN 132 CO 0.00 -0.20 0.71 1.55 -2.12 0.00 0.00 175.29 175.24 1on4 n VAL 133 N -1.26 -1.90 -3.18 1.09 3.14 -1.26 -4.81 118.33 110.15 1on4 n VAL 133 Ca -0.04 -0.16 -0.20 0.00 -2.96 0.00 0.00 64.34 60.97 1on4 n VAL 133 Cb 0.65 -2.24 -0.04 0.00 -1.06 0.00 0.00 33.84 31.16 1on4 n VAL 133 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1on4 n ILE 134 N -4.45 -0.08 -3.59 1.55 -5.35 -1.26 -5.01 119.36 101.17 1on4 n ILE 134 Ca -0.05 -4.53 -0.31 0.00 -0.27 0.00 0.00 62.75 57.59 1on4 n ILE 134 Cb 0.56 -0.71 0.02 0.00 -1.74 0.00 0.00 39.64 37.77 1on4 n ILE 134 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1on4 n HIS 135 N 0.50 -2.47 -3.79 4.28 -0.00 -1.26 -4.99 115.22 107.49 1on4 n HIS 135 Ca 0.25 1.02 -0.11 0.00 -0.00 0.00 0.00 57.72 58.88 1on4 n HIS 135 Cb 0.61 -2.33 -0.08 0.00 -0.00 0.00 0.00 29.99 28.20 1on4 n HIS 135 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1on4 s GLN 136 N -3.49 0.75 -0.06 1.57 0.74 -1.26 -5.15 119.66 112.76 1on4 s GLN 136 Ca 0.21 -0.55 -0.03 0.00 0.05 0.00 0.00 55.36 55.05 1on4 s GLN 136 Cb -0.02 0.32 0.04 0.00 1.10 0.00 0.00 33.01 34.45 1on4 s GLN 136 CO 0.88 -0.23 0.10 0.45 -0.55 0.00 0.00 175.29 175.94 1on4 s SER 137 N -2.04 1.03 0.01 6.67 0.15 -1.26 -4.79 113.70 113.46 1on4 s SER 137 Ca -0.05 0.16 -0.04 0.00 0.70 0.00 0.00 55.95 56.72 1on4 s SER 137 Cb -0.01 0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.32 1on4 s SER 137 CO -0.03 -0.25 0.06 -0.44 1.20 0.00 0.00 173.24 173.78 1on4 s SER 138 N 2.22 0.11 0.27 5.45 0.01 -1.26 -4.51 113.70 115.98 1on4 s SER 138 Ca 0.04 -0.30 -0.18 0.00 1.31 0.00 0.00 55.95 56.83 1on4 s SER 138 Cb -0.12 0.16 -0.09 0.00 0.21 0.00 0.00 66.02 66.18 1on4 s SER 138 CO -0.04 -0.31 0.74 -0.36 0.41 0.00 0.00 173.24 173.68 1on4 s PHE 139 N -1.28 3.53 -0.27 2.43 0.08 0.91 -4.06 117.98 119.32 1on4 s PHE 139 Ca -0.14 1.32 -0.01 0.00 0.12 0.00 0.00 56.93 58.22 1on4 s PHE 139 Cb -0.08 -2.59 0.08 0.00 -0.57 0.00 0.00 43.02 39.86 1on4 s PHE 139 CO 0.00 0.22 0.07 0.71 -0.10 0.00 0.00 175.22 176.12 1on4 s TYR 140 N -1.73 1.57 -0.41 0.36 1.51 0.38 -1.95 117.35 117.09 1on4 s TYR 140 Ca 0.48 -1.49 -0.27 0.00 -1.01 0.00 0.00 57.07 54.78 1on4 s TYR 140 Cb -0.14 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.23 1on4 s TYR 140 CO 0.19 -0.79 1.02 -1.17 -1.11 0.00 0.00 175.55 173.69 1on4 s LEU 141 N 1.67 3.87 -0.35 -1.29 0.20 0.54 0.10 118.68 123.43 1on4 s LEU 141 Ca 0.05 0.55 -0.18 0.00 0.69 0.00 0.00 54.13 55.24 1on4 s LEU 141 Cb -0.17 -3.39 -0.00 0.00 -0.43 0.00 0.00 46.19 42.19 1on4 s LEU 141 CO -0.19 -1.02 0.51 -0.69 -0.29 0.00 0.00 176.35 174.67 1on4 s VAL 142 N 3.87 5.02 1.02 1.68 1.01 -0.15 -1.30 120.40 131.56 1on4 s VAL 142 Ca 0.42 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 1on4 s VAL 142 Cb -0.10 -3.95 0.20 0.00 0.00 0.00 0.00 36.38 32.53 1on4 s VAL 142 CO 0.24 -0.20 1.08 -0.83 0.00 0.00 0.00 175.10 175.38 1on4 s GLY 143 N 1.75 1.58 0.33 4.51 0.00 0.11 -2.85 107.32 112.75 1on4 s GLY 143 Ca 0.18 -0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.74 1on4 s GLY 143 CO 0.13 0.44 1.97 -0.56 0.00 0.00 0.00 173.10 175.08 1on4 h PRO 144 N -2.04 0.89 0.00 2.90 0.13 -1.82 0.36 132.00 132.42 1on4 h PRO 144 Ca -0.55 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1on4 h PRO 144 Cb 1.32 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1on4 h PRO 144 CO 0.54 0.62 0.00 -0.44 -0.23 0.00 0.00 178.00 178.49 1on4 h ASP 145 N 0.91 0.00 -0.75 1.44 5.19 -1.91 0.16 116.42 121.46 1on4 h ASP 145 Ca 0.24 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.64 1on4 h ASP 145 Cb -0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1on4 h ASP 145 CO -0.04 0.00 -0.02 0.61 -3.12 0.00 0.00 179.24 176.67 1on4 n GLY 146 N -0.68 0.72 3.31 2.75 0.00 0.12 -4.96 105.19 106.45 1on4 n GLY 146 Ca -0.01 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 1on4 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1on4 s LYS 147 N -4.68 3.31 0.07 1.61 -2.85 -1.23 -0.05 119.74 115.92 1on4 s LYS 147 Ca 0.01 -0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 53.97 1on4 s LYS 147 Cb -0.00 -2.69 -0.05 0.00 -2.06 0.00 0.00 37.83 33.03 1on4 s LYS 147 CO 0.01 0.07 1.09 0.08 0.10 0.00 0.00 175.35 176.70 1on4 s VAL 148 N 0.72 4.29 -0.06 1.79 1.01 0.21 0.07 120.40 128.44 1on4 s VAL 148 Ca -0.06 1.72 0.03 0.00 0.00 0.00 0.00 61.98 63.68 1on4 s VAL 148 Cb -0.15 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1on4 s VAL 148 CO 0.02 0.18 -0.00 0.18 0.00 0.00 0.00 175.10 175.47 1on4 n LEU 149 N 3.50 0.82 -3.75 3.92 4.32 -0.42 -1.55 117.00 123.84 1on4 n LEU 149 Ca 0.06 -0.01 -0.14 0.00 -0.02 0.00 0.00 56.01 55.90 1on4 n LEU 149 Cb 0.48 0.03 -0.15 0.00 -1.62 0.00 0.00 43.42 42.16 1on4 n LEU 149 CO 0.54 0.26 -0.27 -0.54 -1.22 0.00 0.00 177.39 176.16 1on4 s LYS 150 N -2.13 0.04 -0.07 3.23 1.02 -1.22 -3.93 119.74 116.68 1on4 s LYS 150 Ca -0.04 0.33 0.05 0.00 0.02 0.00 0.00 55.97 56.32 1on4 s LYS 150 Cb 0.02 -0.22 -0.00 0.00 -0.52 0.00 0.00 37.83 37.11 1on4 s LYS 150 CO 0.20 -0.18 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.72 1on4 s ASP 151 N 1.24 2.77 0.16 2.83 1.01 -1.26 -0.34 116.67 123.07 1on4 s ASP 151 Ca -0.08 -0.47 -0.19 0.00 0.71 0.00 0.00 52.55 52.51 1on4 s ASP 151 Cb -0.12 -0.97 0.05 0.00 1.01 0.00 0.00 42.92 42.88 1on4 s ASP 151 CO -0.05 0.18 0.51 -0.47 0.21 0.00 0.00 175.17 175.55 1on4 s TYR 152 N 0.11 -0.31 -0.12 4.23 6.14 -0.48 0.07 117.35 127.00 1on4 s TYR 152 Ca -0.10 0.02 0.01 0.00 0.64 0.00 0.00 57.07 57.64 1on4 s TYR 152 Cb -0.15 0.41 0.02 0.00 0.42 0.00 0.00 41.96 42.66 1on4 s TYR 152 CO 0.05 -0.82 -0.12 1.21 0.64 0.00 0.00 175.55 176.51 1on4 s ASN 153 N -2.80 2.36 0.49 4.32 2.47 -1.17 -0.06 114.94 120.56 1on4 s ASN 153 Ca 0.04 -0.39 0.20 0.00 0.42 0.00 0.00 52.86 53.13 1on4 s ASN 153 Cb -0.00 -1.01 1.25 0.00 -1.45 0.00 0.00 41.25 40.05 1on4 s ASN 153 CO -0.10 -0.05 2.07 1.23 -3.72 0.00 0.00 177.10 176.53 1on4 h GLY 154 N 7.84 0.00 -0.02 1.21 0.00 -1.95 0.11 103.07 110.26 1on4 h GLY 154 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1on4 h GLY 154 CO 0.47 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 176.39 1on4 n VAL 155 N -4.14 0.07 0.00 4.60 0.31 -1.26 -4.95 118.33 112.97 1on4 n VAL 155 Ca -0.02 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1on4 n VAL 155 Cb 0.20 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 1on4 n VAL 155 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1on4 n GLU 156 N -0.41 0.00 0.00 5.55 4.07 0.39 -4.74 120.64 125.50 1on4 n GLU 156 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1on4 n GLU 156 Cb 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.46 1on4 n GLU 156 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1on4 n ASN 157 N 3.48 0.00 -2.98 4.31 5.03 -1.26 -2.70 115.26 121.13 1on4 n ASN 157 Ca 0.00 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.36 1on4 n ASN 157 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.74 1on4 n ASN 157 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1on4 s THR 158 N -2.07 -0.70 0.06 3.41 2.01 -1.26 -5.07 115.64 112.02 1on4 s THR 158 Ca 0.00 -1.18 -0.25 0.00 0.31 0.00 0.00 61.69 60.57 1on4 s THR 158 Cb 0.00 -0.29 -0.17 0.00 0.01 0.00 0.00 72.50 72.06 1on4 s THR 158 CO 0.00 -0.28 1.60 1.55 -0.69 0.00 0.00 174.62 176.80 1on4 h PRO 159 N 5.53 -0.15 0.00 4.92 0.13 -1.84 -3.39 132.00 137.20 1on4 h PRO 159 Ca 0.10 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1on4 h PRO 159 Cb 1.08 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1on4 h PRO 159 CO 0.10 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.54 1on4 n TYR 160 N -5.10 0.00 -0.17 1.56 4.01 -1.25 -1.38 117.16 114.82 1on4 n TYR 160 Ca -0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.64 1on4 n TYR 160 Cb 0.13 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.23 1on4 n TYR 160 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1on4 h ASP 161 N 0.00 -0.19 0.81 7.72 3.32 -0.72 0.30 116.42 127.67 1on4 h ASP 161 Ca 0.00 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1on4 h ASP 161 Cb 0.00 0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.76 1on4 h ASP 161 CO 0.00 -0.06 -0.39 -2.24 -1.72 0.00 0.00 179.24 174.83 1on4 h ASP 162 N 0.13 -0.92 0.26 6.45 2.03 -1.85 -0.24 116.42 122.29 1on4 h ASP 162 Ca 0.26 0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 56.58 1on4 h ASP 162 Cb 0.39 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1on4 h ASP 162 CO -0.42 -0.56 -0.12 0.40 -1.03 0.00 0.00 179.24 177.51 1on4 h ILE 163 N -1.29 0.77 -0.53 4.15 2.04 -1.88 0.85 117.51 121.63 1on4 h ILE 163 Ca -0.11 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1on4 h ILE 163 Cb 0.84 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1on4 h ILE 163 CO 0.18 0.04 0.21 0.40 0.00 0.00 0.00 178.15 178.98 1on4 h ILE 164 N -0.44 1.22 -0.25 -0.67 5.03 -0.52 0.61 117.51 122.49 1on4 h ILE 164 Ca -0.04 -0.68 0.06 0.00 -0.12 0.00 0.00 64.86 64.08 1on4 h ILE 164 Cb 0.33 0.68 -0.06 0.00 -3.03 0.00 0.00 36.82 34.74 1on4 h ILE 164 CO 0.06 0.26 -0.15 -1.28 -0.68 0.00 0.00 178.15 176.36 1on4 h SER 165 N 0.71 -0.48 0.70 1.72 0.87 -0.72 0.26 113.55 116.62 1on4 h SER 165 Ca 0.18 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 1on4 h SER 165 Cb 0.20 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1on4 h SER 165 CO -0.01 -0.18 -0.38 -0.78 -0.53 0.00 0.00 176.83 174.94 1on4 h ASP 166 N -0.12 -0.93 -0.54 6.23 3.58 -0.35 0.87 116.42 125.15 1on4 h ASP 166 Ca 0.14 0.04 0.09 0.00 0.42 0.00 0.00 57.03 57.72 1on4 h ASP 166 Cb 0.33 0.26 -0.08 0.00 1.72 0.00 0.00 39.33 41.56 1on4 h ASP 166 CO -0.33 -0.62 0.11 0.58 -2.88 0.00 0.00 179.24 176.11 1on4 h VAL 167 N -1.00 0.69 -0.67 2.25 2.07 -0.82 0.19 116.25 118.96 1on4 h VAL 167 Ca -0.09 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1on4 h VAL 167 Cb 0.79 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1on4 h VAL 167 CO 0.12 0.05 0.43 0.11 0.02 0.00 0.00 177.57 178.30 1on4 h LYS 168 N 0.25 0.84 0.45 1.57 1.79 -0.17 0.14 116.57 121.43 1on4 h LYS 168 Ca 0.27 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 1on4 h LYS 168 Cb 0.38 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1on4 h LYS 168 CO -0.35 0.56 -0.33 1.03 -1.08 0.00 0.00 179.45 179.28 1on4 h SER 169 N 0.87 -0.86 -0.31 0.86 0.87 0.13 -0.36 113.55 114.74 1on4 h SER 169 Ca 0.26 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.94 1on4 h SER 169 Cb -0.05 0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.10 1on4 h SER 169 CO -0.08 -0.47 -0.18 0.00 -0.53 0.00 0.00 176.83 175.57 1on4 h ALA 170 N -1.34 0.04 0.52 6.23 0.00 -0.70 -0.79 119.26 123.22 1on4 h ALA 170 Ca -0.06 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1on4 h ALA 170 Cb 0.61 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1on4 h ALA 170 CO 0.02 -0.58 -0.49 0.77 0.00 0.00 0.00 179.25 178.98 1on4 h SER 171 N -0.14 -1.33 0.00 0.00 0.02 -0.80 -3.42 113.55 107.87 1on4 h SER 171 Ca 0.16 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1on4 h SER 171 Cb 0.39 0.43 -0.05 0.00 0.14 0.00 0.00 62.40 63.32 1on4 h SER 171 CO -0.40 -0.66 -0.10 1.07 -1.14 0.00 0.00 176.83 175.59 1on4 n THR 172 N -5.56 0.00 -3.55 -2.27 5.66 -1.18 -5.02 114.28 102.36 1on4 n THR 172 Ca -0.12 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.62 1on4 n THR 172 Cb 0.46 0.18 0.05 0.00 -1.55 0.00 0.00 70.33 69.47 1on4 n THR 172 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1on4 n LEU 173 N 0.00 -3.69 0.00 1.09 4.77 -0.31 -5.01 117.00 113.84 1on4 n LEU 173 Ca -0.10 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 1on4 n LEU 173 Cb 0.43 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.91 1on4 n LEU 173 CO -0.05 0.29 0.00 2.29 -1.33 0.00 0.00 177.39 178.60