#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j88 s PRO 5 N 0.00 3.28 -0.16 1.64 0.04 -1.26 -5.07 135.00 133.47 1j88 s PRO 5 Ca 0.00 0.42 -0.04 0.00 0.04 0.00 0.00 61.00 61.42 1j88 s PRO 5 Cb 0.00 -2.17 0.07 0.00 0.04 0.00 0.00 34.50 32.45 1j88 s PRO 5 CO 0.00 -0.63 0.20 0.21 0.04 0.00 0.00 177.00 176.82 1j88 s LYS 6 N -5.09 0.13 0.05 4.56 2.20 -1.26 -4.18 119.74 116.15 1j88 s LYS 6 Ca 0.54 0.33 -0.31 0.00 -0.36 0.00 0.00 55.97 56.17 1j88 s LYS 6 Cb -0.11 -0.89 -0.07 0.00 -1.51 0.00 0.00 37.83 35.25 1j88 s LYS 6 CO 0.50 -0.52 1.48 0.08 -0.36 0.00 0.00 175.35 176.52 1j88 s VAL 7 N 2.31 3.38 0.27 4.02 1.01 -1.26 -3.71 120.40 126.42 1j88 s VAL 7 Ca 0.05 0.85 0.09 0.00 0.00 0.00 0.00 61.98 62.97 1j88 s VAL 7 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1j88 s VAL 7 CO -0.10 0.02 0.05 -0.94 0.00 0.00 0.00 175.10 174.13 1j88 s SER 8 N 1.83 4.75 0.16 3.32 1.04 -0.31 -4.99 113.70 119.50 1j88 s SER 8 Ca 0.67 -0.58 0.09 0.00 0.48 0.00 0.00 55.95 56.61 1j88 s SER 8 Cb -0.36 -0.94 -0.04 0.00 0.10 0.00 0.00 66.02 64.78 1j88 s SER 8 CO 0.29 -0.04 -0.20 -0.76 0.98 0.00 0.00 173.24 173.51 1j88 s LEU 9 N -3.73 2.41 -0.26 2.42 1.43 -1.26 -2.15 118.68 117.55 1j88 s LEU 9 Ca 0.32 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1j88 s LEU 9 Cb -0.06 -0.91 0.15 0.00 0.03 0.00 0.00 46.19 45.39 1j88 s LEU 9 CO 0.21 0.02 0.45 0.21 0.23 0.00 0.00 176.35 177.47 1j88 s ASN 10 N -2.51 -0.31 1.00 2.29 2.47 -0.99 -3.72 114.94 113.16 1j88 s ASN 10 Ca 0.15 0.51 -0.14 0.00 0.42 0.00 0.00 52.86 53.80 1j88 s ASN 10 Cb -0.07 1.48 0.09 0.00 -1.45 0.00 0.00 41.25 41.30 1j88 s ASN 10 CO 0.07 -0.28 0.49 -2.65 -3.72 0.00 0.00 177.10 171.01 1j88 n PRO 11 N 5.39 -0.80 0.27 0.43 -0.02 -1.26 -1.99 135.00 137.02 1j88 n PRO 11 Ca -0.03 -0.19 0.15 0.00 -2.02 0.00 0.00 63.50 61.40 1j88 n PRO 11 Cb 0.50 -1.93 0.70 0.00 -0.02 0.00 0.00 33.50 32.75 1j88 n PRO 11 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1j88 h PRO 12 N -1.83 0.00 -6.27 0.52 0.11 -1.94 -3.45 132.00 119.14 1j88 h PRO 12 Ca -0.47 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 64.98 1j88 h PRO 12 Cb 1.30 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.44 1j88 h PRO 12 CO 0.37 0.09 0.91 0.91 -0.21 0.00 0.00 178.00 180.07 1j88 n TRP 13 N -3.31 2.13 -0.43 0.65 5.03 -1.26 -4.81 117.44 115.44 1j88 n TRP 13 Ca -0.01 0.28 0.08 0.00 3.03 0.00 0.00 57.50 60.89 1j88 n TRP 13 Cb 0.29 -2.54 0.25 0.00 -1.03 0.00 0.00 31.31 28.28 1j88 n TRP 13 CO 0.00 0.00 0.00 0.27 -0.03 0.00 0.00 177.69 177.93 1j88 n ASN 14 N 5.22 3.72 -3.80 -0.99 6.94 -1.26 -4.79 115.26 120.30 1j88 n ASN 14 Ca 0.22 -2.24 -0.26 0.00 -0.02 0.00 0.00 54.58 52.28 1j88 n ASN 14 Cb 0.23 -0.41 -0.17 0.00 -2.36 0.00 0.00 39.78 37.07 1j88 n ASN 14 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1j88 s ARG 15 N -1.44 0.91 0.18 -3.83 0.52 -1.26 -2.53 118.95 111.51 1j88 s ARG 15 Ca 0.38 -0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.34 1j88 s ARG 15 Cb 0.23 -1.71 -0.05 0.00 0.52 0.00 0.00 34.95 33.94 1j88 s ARG 15 CO 0.21 -0.46 -0.04 0.96 0.02 0.00 0.00 175.30 175.99 1j88 s ILE 16 N 1.82 0.99 0.59 1.52 -4.36 0.42 -4.88 121.20 117.30 1j88 s ILE 16 Ca 0.02 -2.03 -0.13 0.00 -0.26 0.00 0.00 60.65 58.24 1j88 s ILE 16 Cb -0.15 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.42 1j88 s ILE 16 CO -0.07 -0.52 1.02 -0.36 0.24 0.00 0.00 174.94 175.25 1j88 s PHE 17 N -3.45 3.42 0.12 1.37 2.99 -1.26 0.12 117.98 121.29 1j88 s PHE 17 Ca 0.23 1.39 -0.31 0.00 0.00 0.00 0.00 56.93 58.24 1j88 s PHE 17 Cb 0.05 -2.80 -0.09 0.00 0.00 0.00 0.00 43.02 40.17 1j88 s PHE 17 CO 0.04 -0.70 1.63 0.21 -0.00 0.00 0.00 175.22 176.40 1j88 s LYS 18 N -4.65 4.20 0.00 0.44 2.20 0.12 -2.48 119.74 119.57 1j88 s LYS 18 Ca 0.58 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.56 1j88 s LYS 18 Cb -0.12 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1j88 s LYS 18 CO 0.44 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 1j88 n GLY 19 N 3.91 0.48 3.89 5.54 0.00 0.32 -4.85 105.19 114.48 1j88 n GLY 19 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1j88 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j88 s GLU 20 N -0.84 1.17 0.07 1.61 2.02 -1.04 -3.84 118.70 117.84 1j88 s GLU 20 Ca 0.00 -0.10 0.09 0.00 0.02 0.00 0.00 54.97 54.98 1j88 s GLU 20 Cb 0.00 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 1j88 s GLU 20 CO 0.00 -2.10 -0.24 0.54 0.02 0.00 0.00 175.26 173.47 1j88 s ASN 21 N -4.62 3.36 -0.02 -0.19 2.20 -1.26 -1.95 114.94 112.47 1j88 s ASN 21 Ca 0.68 -0.59 -0.12 0.00 -0.94 0.00 0.00 52.86 51.88 1j88 s ASN 21 Cb -0.08 -0.35 0.02 0.00 -2.00 0.00 0.00 41.25 38.83 1j88 s ASN 21 CO 0.51 0.24 0.26 0.54 -2.94 0.00 0.00 177.10 175.71 1j88 s VAL 22 N -0.90 0.06 -0.14 3.54 0.11 -0.91 -4.69 120.40 117.47 1j88 s VAL 22 Ca 0.13 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.70 1j88 s VAL 22 Cb -0.10 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.21 1j88 s VAL 22 CO 0.04 -0.27 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.44 1j88 s THR 23 N -1.23 2.21 -0.47 5.04 2.01 -0.84 -1.57 115.64 120.80 1j88 s THR 23 Ca -0.13 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 60.83 1j88 s THR 23 Cb -0.06 -1.89 0.11 0.00 0.01 0.00 0.00 72.50 70.67 1j88 s THR 23 CO 0.03 0.54 0.36 -0.76 -0.69 0.00 0.00 174.62 174.10 1j88 s LEU 24 N 0.75 5.65 0.19 4.42 1.43 -0.73 -2.35 118.68 128.04 1j88 s LEU 24 Ca -0.08 -1.73 -0.24 0.00 -1.03 0.00 0.00 54.13 51.05 1j88 s LEU 24 Cb -0.16 -2.06 -0.08 0.00 0.03 0.00 0.00 46.19 43.92 1j88 s LEU 24 CO -0.00 -0.68 0.78 -0.89 0.23 0.00 0.00 176.35 175.79 1j88 s THR 25 N 1.45 4.38 -1.34 5.49 2.01 -0.91 -2.19 115.64 124.53 1j88 s THR 25 Ca 0.04 1.65 0.04 0.00 0.31 0.00 0.00 61.69 63.73 1j88 s THR 25 Cb -0.26 -4.09 0.18 0.00 0.01 0.00 0.00 72.50 68.34 1j88 s THR 25 CO 0.01 0.44 0.94 0.00 -0.69 0.00 0.00 174.62 175.33 1j88 n ASN 27 N 0.09 0.00 0.00 0.00 6.94 -1.24 -4.15 115.26 116.89 1j88 n ASN 27 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1j88 n ASN 27 Cb 0.33 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 1j88 n ASN 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1j88 n GLY 28 N -0.01 0.00 3.93 4.83 0.00 -1.26 -4.66 105.19 108.02 1j88 n GLY 28 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1j88 n GLY 28 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j88 s ASN 29 N 0.00 6.36 0.00 1.61 0.01 -1.26 -4.99 114.94 116.68 1j88 s ASN 29 Ca 0.00 0.51 0.30 0.00 -0.71 0.00 0.00 52.86 52.96 1j88 s ASN 29 Cb 0.00 -2.06 1.57 0.00 0.41 0.00 0.00 41.25 41.17 1j88 s ASN 29 CO 0.00 -0.19 2.06 -3.20 -1.51 0.00 0.00 177.10 174.25 1j88 n ASN 30 N -1.22 0.19 0.17 -1.22 2.85 -1.26 -2.99 115.26 111.76 1j88 n ASN 30 Ca -0.04 -0.62 0.13 0.00 -0.11 0.00 0.00 54.58 53.95 1j88 n ASN 30 Cb 0.55 -0.12 0.40 0.00 1.24 0.00 0.00 39.78 41.84 1j88 n ASN 30 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1j88 h PHE 31 N 0.25 0.00 -3.01 1.20 3.57 -1.96 -3.44 116.94 113.55 1j88 h PHE 31 Ca 0.00 0.00 -0.61 0.00 3.53 0.00 0.00 57.97 60.89 1j88 h PHE 31 Cb 0.21 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1j88 h PHE 31 CO 0.00 0.00 -0.36 -0.06 -2.23 0.00 0.00 178.31 175.66 1j88 s PHE 32 N -3.25 3.54 0.16 0.41 0.08 -1.16 -5.12 117.98 112.64 1j88 s PHE 32 Ca 0.07 0.56 0.05 0.00 0.12 0.00 0.00 56.93 57.73 1j88 s PHE 32 Cb 0.09 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 1j88 s PHE 32 CO 0.57 0.54 -0.11 -1.21 -0.10 0.00 0.00 175.22 174.92 1j88 s GLU 33 N -2.13 1.12 -0.03 0.44 2.02 -1.26 -4.99 118.70 113.87 1j88 s GLU 33 Ca 0.33 -1.48 -0.29 0.00 0.02 0.00 0.00 54.97 53.55 1j88 s GLU 33 Cb -0.13 -0.72 0.10 0.00 0.10 0.00 0.00 34.13 33.48 1j88 s GLU 33 CO 0.20 0.09 0.85 0.08 0.02 0.00 0.00 175.26 176.51 1j88 s VAL 34 N -3.26 0.00 0.34 2.63 1.01 -1.26 -5.10 120.40 114.76 1j88 s VAL 34 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.25 1j88 s VAL 34 Cb 0.02 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 1j88 s VAL 34 CO 0.02 0.00 -0.08 -0.94 0.00 0.00 0.00 175.10 174.10 1j88 s SER 35 N -1.95 3.56 -0.62 3.32 1.04 -1.26 -3.23 113.70 114.56 1j88 s SER 35 Ca 0.00 -1.21 -0.01 0.00 0.48 0.00 0.00 55.95 55.21 1j88 s SER 35 Cb -0.01 -0.32 -0.01 0.00 0.10 0.00 0.00 66.02 65.78 1j88 s SER 35 CO -0.04 -0.24 0.52 -1.54 0.98 0.00 0.00 173.24 172.92 1j88 n SER 36 N -0.77 -3.01 -4.72 7.02 3.41 -1.25 -4.97 113.62 109.34 1j88 n SER 36 Ca -0.05 -0.35 -0.34 0.00 -0.26 0.00 0.00 58.87 57.87 1j88 n SER 36 Cb 0.64 -3.03 -0.08 0.00 -0.26 0.00 0.00 64.21 61.48 1j88 n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j88 s THR 37 N -3.20 4.44 -0.06 6.66 2.01 -0.11 -4.25 115.64 121.12 1j88 s THR 37 Ca 0.10 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 1j88 s THR 37 Cb -0.01 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 1j88 s THR 37 CO 0.40 0.46 0.00 -0.54 -0.69 0.00 0.00 174.62 174.25 1j88 s LYS 38 N -1.35 2.92 -0.06 4.92 1.02 -0.27 -4.24 119.74 122.67 1j88 s LYS 38 Ca 0.18 -0.47 0.03 0.00 0.02 0.00 0.00 55.97 55.73 1j88 s LYS 38 Cb -0.12 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.45 1j88 s LYS 38 CO 0.08 0.68 -0.14 -1.58 -0.92 0.00 0.00 175.35 173.47 1j88 s TRP 39 N -0.95 1.62 -0.37 3.18 0.52 -1.26 -2.37 118.94 119.32 1j88 s TRP 39 Ca 0.15 -0.58 0.03 0.00 0.02 0.00 0.00 56.10 55.72 1j88 s TRP 39 Cb -0.11 -1.15 0.11 0.00 -1.15 0.00 0.00 33.47 31.16 1j88 s TRP 39 CO 0.05 -0.27 0.10 -0.06 0.02 0.00 0.00 176.95 176.79 1j88 s PHE 40 N 0.50 3.28 -0.50 -1.98 0.40 -0.25 0.91 117.98 120.35 1j88 s PHE 40 Ca -0.13 -2.82 -0.24 0.00 -0.60 0.00 0.00 56.93 53.14 1j88 s PHE 40 Cb -0.15 -2.68 0.03 0.00 0.51 0.00 0.00 43.02 40.73 1j88 s PHE 40 CO 0.04 -0.90 0.89 -1.58 0.70 0.00 0.00 175.22 174.37 1j88 s HIS 41 N 0.80 2.89 -1.11 0.36 2.46 -0.70 -3.33 115.29 116.66 1j88 s HIS 41 Ca 0.12 0.14 0.00 0.00 0.47 0.00 0.00 55.06 55.79 1j88 s HIS 41 Cb -0.20 -3.92 0.00 0.00 -0.13 0.00 0.00 32.58 28.33 1j88 s HIS 41 CO -0.09 -1.17 0.00 0.09 -2.47 0.00 0.00 174.74 171.10 1j88 n ASN 42 N 7.14 -4.21 0.00 9.88 4.13 0.58 -2.66 115.26 130.12 1j88 n ASN 42 Ca 0.03 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.53 1j88 n ASN 42 Cb 0.48 -2.72 0.00 0.00 -1.54 0.00 0.00 39.78 36.00 1j88 n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j88 n GLY 43 N -1.62 2.89 3.71 7.41 0.00 -1.24 -5.02 105.19 111.33 1j88 n GLY 43 Ca -0.11 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1j88 n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j88 s SER 44 N 0.41 6.91 0.44 1.61 0.01 -1.09 -4.88 113.70 117.12 1j88 s SER 44 Ca 0.00 2.19 -0.26 0.00 1.31 0.00 0.00 55.95 59.20 1j88 s SER 44 Cb 0.00 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1j88 s SER 44 CO 0.00 -0.60 1.44 -0.22 0.41 0.00 0.00 173.24 174.26 1j88 s LEU 45 N 1.28 4.14 0.44 2.44 2.96 -1.26 -1.72 118.68 126.96 1j88 s LEU 45 Ca 0.63 2.94 0.03 0.00 -0.22 0.00 0.00 54.13 57.51 1j88 s LEU 45 Cb -0.34 -3.89 0.01 0.00 0.50 0.00 0.00 46.19 42.47 1j88 s LEU 45 CO 0.29 -1.14 0.64 -0.55 -1.32 0.00 0.00 176.35 174.27 1j88 s SER 46 N -0.45 5.70 0.00 3.68 0.15 0.26 -4.85 113.70 118.19 1j88 s SER 46 Ca 0.60 -0.00 0.26 0.00 0.70 0.00 0.00 55.95 57.50 1j88 s SER 46 Cb -0.44 -1.17 0.61 0.00 -1.71 0.00 0.00 66.02 63.31 1j88 s SER 46 CO 0.57 -0.76 1.49 -0.62 1.20 0.00 0.00 173.24 175.12 1j88 n GLU 47 N -2.01 0.10 -2.62 5.44 1.02 -1.26 -4.70 120.64 116.61 1j88 n GLU 47 Ca 0.04 -0.06 -0.32 0.00 -0.02 0.00 0.00 57.16 56.81 1j88 n GLU 47 Cb 0.58 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.47 1j88 n GLU 47 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1j88 s GLU 48 N -2.94 3.90 0.00 3.49 2.56 -1.26 -4.99 118.70 119.47 1j88 s GLU 48 Ca 0.13 0.77 0.00 0.00 0.00 0.00 0.00 54.97 55.87 1j88 s GLU 48 Cb 0.18 -2.25 0.00 0.00 2.00 0.00 0.00 34.13 34.06 1j88 s GLU 48 CO 0.66 -0.15 0.00 0.25 -0.56 0.00 0.00 175.26 175.46 1j88 n THR 49 N -1.37 0.00 -1.57 -1.70 -2.24 -1.26 -4.50 114.28 101.64 1j88 n THR 49 Ca 0.05 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.46 1j88 n THR 49 Cb 0.54 -0.63 0.06 0.00 -2.10 0.00 0.00 70.33 68.20 1j88 n THR 49 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j88 n ASN 50 N -1.45 0.49 0.31 3.42 2.85 -1.26 -0.94 115.26 118.68 1j88 n ASN 50 Ca 0.00 0.77 0.20 0.00 -0.11 0.00 0.00 54.58 55.43 1j88 n ASN 50 Cb 0.31 -1.37 0.94 0.00 1.24 0.00 0.00 39.78 40.91 1j88 n ASN 50 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1j88 h SER 51 N 0.31 0.00 -3.64 1.20 4.64 -1.91 -3.39 113.55 110.76 1j88 h SER 51 Ca -0.48 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.14 1j88 h SER 51 Cb 1.37 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.18 1j88 h SER 51 CO 0.50 0.01 -0.57 -0.44 -0.87 0.00 0.00 176.83 175.45 1j88 s SER 52 N -5.47 5.46 -0.48 4.97 0.01 -1.26 -2.01 113.70 114.92 1j88 s SER 52 Ca -0.02 -1.12 -0.16 0.00 1.31 0.00 0.00 55.95 55.96 1j88 s SER 52 Cb 0.11 -1.92 0.07 0.00 0.21 0.00 0.00 66.02 64.49 1j88 s SER 52 CO 0.48 -0.36 0.44 -0.22 0.41 0.00 0.00 173.24 174.00 1j88 s LEU 53 N 1.45 5.48 0.66 2.44 2.96 -0.93 -4.95 118.68 125.78 1j88 s LEU 53 Ca -0.00 -1.23 -0.11 0.00 -0.22 0.00 0.00 54.13 52.56 1j88 s LEU 53 Cb -0.20 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 1j88 s LEU 53 CO 0.04 -0.69 1.06 0.20 -1.32 0.00 0.00 176.35 175.63 1j88 s ASN 54 N 2.60 5.87 -0.05 3.68 0.01 -1.26 -1.77 114.94 124.02 1j88 s ASN 54 Ca 0.06 1.31 -0.02 0.00 -0.71 0.00 0.00 52.86 53.50 1j88 s ASN 54 Cb -0.23 -2.26 0.03 0.00 0.41 0.00 0.00 41.25 39.21 1j88 s ASN 54 CO 0.08 -1.09 0.09 -0.63 -1.51 0.00 0.00 177.10 174.04 1j88 s ILE 55 N -3.24 -0.15 0.00 0.60 1.01 -0.61 -4.94 121.20 113.87 1j88 s ILE 55 Ca 0.56 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.62 1j88 s ILE 55 Cb -0.11 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.17 1j88 s ILE 55 CO 0.53 0.17 0.00 0.52 0.00 0.00 0.00 174.94 176.16 1j88 n VAL 56 N 5.31 0.00 0.00 2.92 0.31 -1.26 -2.15 118.33 123.46 1j88 n VAL 56 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1j88 n VAL 56 Cb 0.50 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1j88 n VAL 56 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1j88 n ASN 57 N -2.28 0.00 -4.70 4.52 3.02 -1.25 -4.60 115.26 109.97 1j88 n ASN 57 Ca 0.00 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.11 1j88 n ASN 57 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1j88 n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j88 n ALA 58 N 0.00 2.24 -2.47 5.41 0.00 -0.82 -4.66 120.51 120.21 1j88 n ALA 58 Ca 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.53 1j88 n ALA 58 Cb 0.00 -2.48 -0.13 0.00 0.00 0.00 0.00 19.45 16.84 1j88 n ALA 58 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1j88 s LYS 59 N 1.39 2.15 0.42 0.00 1.02 -1.26 -0.52 119.74 122.94 1j88 s LYS 59 Ca 0.78 -0.93 0.29 0.00 0.02 0.00 0.00 55.97 56.12 1j88 s LYS 59 Cb -0.56 -2.23 1.43 0.00 -0.52 0.00 0.00 37.83 35.95 1j88 s LYS 59 CO 0.35 0.55 1.60 0.74 -0.92 0.00 0.00 175.35 177.67 1j88 h PHE 60 N 4.64 0.59 0.00 3.18 0.05 -1.94 1.27 116.94 124.72 1j88 h PHE 60 Ca -0.47 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.34 1j88 h PHE 60 Cb 1.15 -0.14 -0.00 0.00 2.00 0.00 0.00 35.95 38.97 1j88 h PHE 60 CO 0.53 -0.29 -0.01 0.93 -0.18 0.00 0.00 178.31 179.29 1j88 h GLU 61 N 0.04 0.00 0.00 1.51 3.07 -1.99 -0.83 114.58 116.38 1j88 h GLU 61 Ca 0.85 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.71 1j88 h GLU 61 Cb 2.60 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.51 1j88 h GLU 61 CO -0.51 0.01 -0.01 -0.44 -1.40 0.00 0.00 179.01 176.66 1j88 h ASP 62 N 0.00 0.00 -3.85 1.42 3.32 0.12 -3.43 116.42 114.00 1j88 h ASP 62 Ca -0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1j88 h ASP 62 Cb 0.04 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.70 1j88 h ASP 62 CO 0.00 0.01 0.73 -1.20 -1.72 0.00 0.00 179.24 177.06 1j88 n SER 63 N -3.10 3.62 0.00 6.45 7.64 -0.32 -4.87 113.62 123.04 1j88 n SER 63 Ca 0.01 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1j88 n SER 63 Cb 0.36 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 1j88 n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j88 n GLY 64 N 0.50 -1.33 3.56 0.23 0.00 0.30 -4.97 105.19 103.49 1j88 n GLY 64 Ca 0.02 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1j88 n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j88 s GLU 65 N -1.82 3.86 0.17 1.61 2.12 -1.26 -0.43 118.70 122.95 1j88 s GLU 65 Ca 0.00 -0.39 0.10 0.00 0.36 0.00 0.00 54.97 55.03 1j88 s GLU 65 Cb 0.00 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1j88 s GLU 65 CO 0.00 0.06 -0.20 0.71 -0.54 0.00 0.00 175.26 175.29 1j88 s TYR 66 N 0.97 1.98 -0.03 5.30 1.51 -0.85 -0.31 117.35 125.93 1j88 s TYR 66 Ca 0.04 -0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 1j88 s TYR 66 Cb -0.14 -0.99 0.09 0.00 -0.11 0.00 0.00 41.96 40.82 1j88 s TYR 66 CO 0.03 0.39 0.81 -1.59 -1.11 0.00 0.00 175.55 174.08 1j88 s LYS 67 N -2.72 0.91 0.22 -0.62 -2.85 -1.21 -0.42 119.74 113.04 1j88 s LYS 67 Ca 0.17 -0.07 0.05 0.00 -1.00 0.00 0.00 55.97 55.13 1j88 s LYS 67 Cb -0.07 0.42 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 1j88 s LYS 67 CO 0.08 -0.34 -0.07 0.00 0.10 0.00 0.00 175.35 175.12 1j88 s GLN 69 N -3.76 1.04 0.11 0.00 0.74 -1.00 -0.72 119.66 116.07 1j88 s GLN 69 Ca 0.25 -0.61 0.01 0.00 0.05 0.00 0.00 55.36 55.05 1j88 s GLN 69 Cb 0.03 0.46 0.01 0.00 1.10 0.00 0.00 33.01 34.61 1j88 s GLN 69 CO 0.07 -0.40 0.05 0.72 -0.55 0.00 0.00 175.29 175.19 1j88 n HIS 70 N -0.06 -0.83 0.17 1.67 8.25 -1.26 -1.11 115.22 122.05 1j88 n HIS 70 Ca -0.17 -0.47 -0.14 0.00 -0.26 0.00 0.00 57.72 56.68 1j88 n HIS 70 Cb 0.63 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 1j88 n HIS 70 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1j88 h GLN 71 N 0.00 -0.59 -2.21 -0.41 5.75 -1.94 -3.30 115.11 112.42 1j88 h GLN 71 Ca -0.07 0.04 -0.58 0.00 -0.15 0.00 0.00 58.65 57.88 1j88 h GLN 71 Cb 0.25 0.13 -0.42 0.00 1.07 0.00 0.00 27.48 28.52 1j88 h GLN 71 CO 0.12 -0.39 -0.70 0.94 -2.65 0.00 0.00 178.83 176.14 1j88 n GLN 72 N -5.42 2.60 -3.70 1.69 7.27 -1.26 -5.05 117.38 113.51 1j88 n GLN 72 Ca -0.08 -4.55 -0.11 0.00 0.07 0.00 0.00 57.00 52.33 1j88 n GLN 72 Cb 0.32 -2.13 -0.06 0.00 2.41 0.00 0.00 30.24 30.79 1j88 n GLN 72 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1j88 s VAL 73 N -3.31 0.08 0.08 1.69 1.01 -1.25 -5.02 120.40 113.69 1j88 s VAL 73 Ca 0.44 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 1j88 s VAL 73 Cb 0.23 -1.09 -0.07 0.00 0.00 0.00 0.00 36.38 35.45 1j88 s VAL 73 CO -0.08 -0.36 0.67 0.20 0.00 0.00 0.00 175.10 175.53 1j88 s ASN 74 N -2.47 7.18 0.58 3.32 0.01 -1.26 -4.35 114.94 117.95 1j88 s ASN 74 Ca -0.00 1.40 -0.18 0.00 -0.71 0.00 0.00 52.86 53.37 1j88 s ASN 74 Cb 0.01 -2.42 -0.09 0.00 0.41 0.00 0.00 41.25 39.16 1j88 s ASN 74 CO -0.08 0.18 0.44 -1.84 -1.51 0.00 0.00 177.10 174.28 1j88 n GLU 75 N 2.06 0.42 -1.59 -0.60 0.28 -1.26 -4.37 120.64 115.58 1j88 n GLU 75 Ca -0.07 0.17 -0.30 0.00 -0.16 0.00 0.00 57.16 56.80 1j88 n GLU 75 Cb 0.50 -1.63 0.09 0.00 1.43 0.00 0.00 31.44 31.84 1j88 n GLU 75 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1j88 s SER 76 N -1.18 4.40 -0.26 -1.84 1.04 0.10 -4.82 113.70 111.14 1j88 s SER 76 Ca 0.67 1.21 -0.29 0.00 0.48 0.00 0.00 55.95 58.02 1j88 s SER 76 Cb -0.44 -1.91 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 1j88 s SER 76 CO 0.56 -2.02 1.65 -1.61 0.98 0.00 0.00 173.24 172.81 1j88 s GLU 77 N -5.21 3.65 0.55 4.02 0.41 -1.26 -4.70 118.70 116.16 1j88 s GLU 77 Ca 0.61 1.54 -0.18 0.00 -0.41 0.00 0.00 54.97 56.53 1j88 s GLU 77 Cb -0.14 -4.08 -0.13 0.00 -1.78 0.00 0.00 34.13 28.00 1j88 s GLU 77 CO 0.54 -1.47 -0.02 -2.30 -0.49 0.00 0.00 175.26 171.51 1j88 n PRO 78 N 7.91 0.10 -3.78 0.39 -0.02 -1.26 -4.72 135.00 133.62 1j88 n PRO 78 Ca 0.20 0.04 -0.25 0.00 -2.02 0.00 0.00 63.50 61.47 1j88 n PRO 78 Cb 0.46 -1.15 -0.17 0.00 -0.02 0.00 0.00 33.50 32.62 1j88 n PRO 78 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j88 s VAL 79 N -1.95 0.53 0.27 -1.45 1.01 0.43 -4.91 120.40 114.34 1j88 s VAL 79 Ca 0.58 -0.19 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 1j88 s VAL 79 Cb -0.47 -0.80 -0.09 0.00 0.00 0.00 0.00 36.38 35.02 1j88 s VAL 79 CO 0.65 0.10 0.93 -0.47 0.00 0.00 0.00 175.10 176.31 1j88 s TYR 80 N 1.89 3.84 -0.08 5.22 5.04 -1.26 -2.00 117.35 130.01 1j88 s TYR 80 Ca 0.03 1.83 0.03 0.00 -2.44 0.00 0.00 57.07 56.51 1j88 s TYR 80 Cb -0.14 -2.93 0.01 0.00 0.35 0.00 0.00 41.96 39.25 1j88 s TYR 80 CO -0.07 0.35 -0.17 -1.17 -1.34 0.00 0.00 175.55 173.16 1j88 s LEU 81 N -1.59 1.82 -0.06 6.97 2.96 0.43 -4.92 118.68 124.29 1j88 s LEU 81 Ca 0.45 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 54.01 1j88 s LEU 81 Cb -0.22 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 1j88 s LEU 81 CO 0.28 0.08 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.47 1j88 s GLU 82 N 0.54 2.42 -0.11 1.98 2.12 -1.05 -0.54 118.70 124.06 1j88 s GLU 82 Ca -0.16 -0.80 -0.04 0.00 0.36 0.00 0.00 54.97 54.33 1j88 s GLU 82 Cb -0.17 -2.00 -0.03 0.00 0.26 0.00 0.00 34.13 32.19 1j88 s GLU 82 CO 0.06 0.28 0.02 0.08 -0.54 0.00 0.00 175.26 175.16 1j88 s VAL 83 N 0.05 4.46 0.28 3.70 1.01 -1.25 -0.43 120.40 128.21 1j88 s VAL 83 Ca -0.08 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1j88 s VAL 83 Cb -0.14 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 1j88 s VAL 83 CO 0.04 0.57 -0.07 -0.36 0.00 0.00 0.00 175.10 175.28 1j88 s PHE 84 N -0.53 1.99 -0.18 5.22 0.40 0.32 -4.90 117.98 120.30 1j88 s PHE 84 Ca 0.09 -0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 55.73 1j88 s PHE 84 Cb -0.12 -1.11 0.06 0.00 0.51 0.00 0.00 43.02 42.36 1j88 s PHE 84 CO 0.02 0.33 0.07 0.45 0.70 0.00 0.00 175.22 176.79 1j88 s SER 85 N -3.45 2.62 -0.15 1.36 0.15 -1.26 0.15 113.70 113.12 1j88 s SER 85 Ca 0.29 -0.72 -0.34 0.00 0.70 0.00 0.00 55.95 55.88 1j88 s SER 85 Cb 0.03 -0.39 0.14 0.00 -1.71 0.00 0.00 66.02 64.09 1j88 s SER 85 CO 0.12 -0.33 1.35 -0.62 1.20 0.00 0.00 173.24 174.96 1j88 s ASP 86 N 2.02 -0.04 0.04 5.45 -1.08 -1.26 -5.05 116.67 116.74 1j88 s ASP 86 Ca 0.01 -0.03 -0.25 0.00 -0.52 0.00 0.00 52.55 51.76 1j88 s ASP 86 Cb -0.16 0.07 -0.17 0.00 -1.46 0.00 0.00 42.92 41.19 1j88 s ASP 86 CO -0.09 -0.12 1.53 -0.50 0.52 0.00 0.00 175.17 176.50 1j88 h TRP 87 N 2.00 -0.05 -4.28 -5.34 6.55 -1.95 -3.40 115.95 109.48 1j88 h TRP 87 Ca -0.20 -0.00 -0.62 0.00 0.95 0.00 0.00 58.89 59.02 1j88 h TRP 87 Cb 1.17 0.02 -0.27 0.00 -0.86 0.00 0.00 29.16 29.22 1j88 h TRP 87 CO 0.30 0.16 -0.86 -0.51 -1.05 0.00 0.00 178.44 176.49 1j88 s LEU 88 N -9.78 2.13 -0.06 -4.49 1.43 -1.26 -0.58 118.68 106.07 1j88 s LEU 88 Ca -0.14 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 1j88 s LEU 88 Cb 0.04 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 45.20 1j88 s LEU 88 CO 0.66 0.21 -0.06 -0.22 0.23 0.00 0.00 176.35 177.17 1j88 s LEU 89 N -1.00 1.28 -0.21 1.79 2.96 0.56 -4.33 118.68 119.73 1j88 s LEU 89 Ca 0.09 -0.19 -0.22 0.00 -0.22 0.00 0.00 54.13 53.58 1j88 s LEU 89 Cb -0.09 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.98 1j88 s LEU 89 CO 0.01 -0.06 0.71 -0.22 -1.32 0.00 0.00 176.35 175.47 1j88 s LEU 90 N 1.12 4.12 -0.04 -0.68 2.96 -1.26 -0.96 118.68 123.95 1j88 s LEU 90 Ca -0.07 0.93 0.01 0.00 -0.22 0.00 0.00 54.13 54.78 1j88 s LEU 90 Cb -0.14 -3.02 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 1j88 s LEU 90 CO -0.01 -0.36 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.52 1j88 s GLN 91 N 2.24 2.74 0.04 1.98 -0.21 0.80 -4.93 119.66 122.31 1j88 s GLN 91 Ca 0.32 -0.59 0.06 0.00 0.02 0.00 0.00 55.36 55.17 1j88 s GLN 91 Cb -0.16 -2.62 -0.02 0.00 1.00 0.00 0.00 33.01 31.21 1j88 s GLN 91 CO 0.10 0.64 -0.18 0.00 -2.12 0.00 0.00 175.29 173.73 1j88 s ALA 92 N -0.94 1.52 0.06 6.09 0.00 -1.26 -0.18 121.76 127.05 1j88 s ALA 92 Ca 0.16 -0.95 -0.36 0.00 0.00 0.00 0.00 51.96 50.81 1j88 s ALA 92 Cb -0.11 -0.29 -0.19 0.00 0.00 0.00 0.00 23.12 22.53 1j88 s ALA 92 CO 0.05 0.33 1.54 0.66 0.00 0.00 0.00 175.76 178.34 1j88 h SER 93 N 4.95 -1.18 -4.35 0.00 4.64 -1.16 -3.37 113.55 113.08 1j88 h SER 93 Ca -0.40 0.06 -0.34 0.00 -0.47 0.00 0.00 61.79 60.63 1j88 h SER 93 Cb 1.17 0.34 -0.25 0.00 -0.31 0.00 0.00 62.40 63.35 1j88 h SER 93 CO 0.44 -0.74 -0.76 0.00 -0.87 0.00 0.00 176.83 174.90 1j88 s ALA 94 N -5.81 0.72 -0.78 5.18 0.00 -1.26 -4.71 121.76 115.10 1j88 s ALA 94 Ca -0.18 -0.61 0.25 0.00 0.00 0.00 0.00 51.96 51.42 1j88 s ALA 94 Cb 0.03 -0.08 0.57 0.00 0.00 0.00 0.00 23.12 23.64 1j88 s ALA 94 CO 0.57 0.10 1.49 0.39 0.00 0.00 0.00 175.76 178.31 1j88 n GLU 95 N 2.10 0.19 -4.22 0.00 1.02 -1.26 -4.81 120.64 113.65 1j88 n GLU 95 Ca -0.18 0.08 -0.17 0.00 -0.02 0.00 0.00 57.16 56.86 1j88 n GLU 95 Cb 0.56 -1.64 -0.15 0.00 -0.02 0.00 0.00 31.44 30.18 1j88 n GLU 95 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1j88 s VAL 96 N -3.10 0.52 -0.02 2.62 1.01 -1.26 -1.83 120.40 118.35 1j88 s VAL 96 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1j88 s VAL 96 Cb 0.15 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 36.09 1j88 s VAL 96 CO 0.67 0.16 0.02 -0.69 0.00 0.00 0.00 175.10 175.27 1j88 s VAL 97 N 0.09 -0.02 0.12 2.92 1.01 0.97 -4.98 120.40 120.52 1j88 s VAL 97 Ca -0.01 0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 1j88 s VAL 97 Cb -0.05 -0.10 -0.09 0.00 0.00 0.00 0.00 36.38 36.14 1j88 s VAL 97 CO -0.00 0.09 1.46 -0.04 0.00 0.00 0.00 175.10 176.61 1j88 s MET 98 N 0.96 4.28 -0.06 2.72 -1.94 -1.26 -1.24 119.30 122.75 1j88 s MET 98 Ca -0.08 2.18 -0.40 0.00 -1.71 0.00 0.00 55.69 55.68 1j88 s MET 98 Cb -0.12 -3.25 -0.19 0.00 2.01 0.00 0.00 34.83 33.28 1j88 s MET 98 CO -0.03 -0.52 1.29 -1.91 -0.01 0.00 0.00 175.02 173.85 1j88 n GLU 99 N 4.12 0.47 0.00 2.03 2.13 0.14 -1.35 120.64 128.18 1j88 n GLU 99 Ca 0.13 0.17 0.00 0.00 0.66 0.00 0.00 57.16 58.12 1j88 n GLU 99 Cb 0.41 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1j88 n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j88 n GLY 100 N 2.40 2.40 3.94 8.31 0.00 -0.07 -4.95 105.19 117.22 1j88 n GLY 100 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1j88 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j88 s GLN 101 N -0.68 1.65 0.38 1.61 -1.52 -0.46 -4.16 119.66 116.48 1j88 s GLN 101 Ca 0.00 -0.41 -0.13 0.00 -1.95 0.00 0.00 55.36 52.87 1j88 s GLN 101 Cb 0.00 -2.08 -0.07 0.00 -0.22 0.00 0.00 33.01 30.63 1j88 s GLN 101 CO 0.00 -1.64 0.77 -1.25 -0.25 0.00 0.00 175.29 172.92 1j88 s PRO 102 N -5.44 3.87 -0.03 2.91 0.04 -0.97 -1.90 135.00 133.48 1j88 s PRO 102 Ca 0.65 0.58 -0.00 0.00 0.04 0.00 0.00 61.00 62.27 1j88 s PRO 102 Cb -0.08 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 32.10 1j88 s PRO 102 CO 0.47 0.02 0.02 -1.17 0.04 0.00 0.00 177.00 176.38 1j88 s LEU 103 N -3.55 0.97 -0.11 -3.56 2.96 0.56 -4.92 118.68 111.03 1j88 s LEU 103 Ca 0.53 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1j88 s LEU 103 Cb -0.10 -0.16 0.01 0.00 0.50 0.00 0.00 46.19 46.45 1j88 s LEU 103 CO 0.26 -0.14 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.63 1j88 s PHE 104 N 1.23 2.11 0.02 5.38 0.40 -1.26 -1.28 117.98 124.58 1j88 s PHE 104 Ca -0.07 -0.99 0.05 0.00 -0.60 0.00 0.00 56.93 55.32 1j88 s PHE 104 Cb -0.13 -1.49 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 1j88 s PHE 104 CO -0.03 -0.49 -0.12 -0.51 0.70 0.00 0.00 175.22 174.78 1j88 s LEU 105 N 0.89 2.90 -0.04 -0.37 1.43 -1.00 -0.58 118.68 121.92 1j88 s LEU 105 Ca -0.08 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1j88 s LEU 105 Cb -0.15 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.42 1j88 s LEU 105 CO -0.01 0.28 0.01 -0.60 0.23 0.00 0.00 176.35 176.26 1j88 s ARG 106 N -1.38 0.28 -0.53 1.70 3.52 0.74 -3.21 118.95 120.07 1j88 s ARG 106 Ca 0.16 0.14 -0.23 0.00 -0.13 0.00 0.00 55.73 55.66 1j88 s ARG 106 Cb -0.11 -0.57 0.04 0.00 -1.56 0.00 0.00 34.95 32.76 1j88 s ARG 106 CO 0.06 -0.20 0.88 0.00 -0.81 0.00 0.00 175.30 175.23 1j88 s HIS 108 N 3.69 3.24 0.26 0.00 2.46 -0.14 -4.96 115.29 119.85 1j88 s HIS 108 Ca 0.28 0.03 -0.06 0.00 0.47 0.00 0.00 55.06 55.78 1j88 s HIS 108 Cb -0.13 -2.14 -0.06 0.00 -0.13 0.00 0.00 32.58 30.12 1j88 s HIS 108 CO 0.19 0.07 0.54 0.20 -2.47 0.00 0.00 174.74 173.26 1j88 s GLY 109 N 0.67 2.00 0.73 1.59 0.00 -1.26 -0.32 107.32 110.72 1j88 s GLY 109 Ca 0.04 -0.48 -0.16 0.00 0.00 0.00 0.00 44.72 44.12 1j88 s GLY 109 CO 0.02 -0.37 1.19 1.87 0.00 0.00 0.00 173.10 175.81 1j88 n TRP 110 N -0.65 1.42 -1.12 1.90 -0.00 0.26 -2.23 117.44 117.02 1j88 n TRP 110 Ca -0.01 0.41 -0.06 0.00 -0.00 0.00 0.00 57.50 57.84 1j88 n TRP 110 Cb 0.53 -2.17 -0.02 0.00 -0.00 0.00 0.00 31.31 29.65 1j88 n TRP 110 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1j88 n ARG 111 N -2.45 -1.19 -1.67 5.87 1.74 -1.26 0.23 116.66 117.93 1j88 n ARG 111 Ca 0.14 0.34 -0.15 0.00 -0.77 0.00 0.00 57.85 57.42 1j88 n ARG 111 Cb 0.49 -4.38 -0.05 0.00 -1.02 0.00 0.00 32.46 27.50 1j88 n ARG 111 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1j88 n ASN 112 N 0.42 -4.71 -3.00 0.55 2.85 -0.95 -4.99 115.26 105.43 1j88 n ASN 112 Ca -0.06 0.26 -0.04 0.00 -0.11 0.00 0.00 54.58 54.63 1j88 n ASN 112 Cb 0.19 -3.62 0.04 0.00 1.24 0.00 0.00 39.78 37.64 1j88 n ASN 112 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1j88 n TRP 113 N -2.97 -2.31 -4.29 1.20 8.01 0.14 -4.97 117.44 112.24 1j88 n TRP 113 Ca -0.16 -0.11 -0.33 0.00 -1.31 0.00 0.00 57.50 55.59 1j88 n TRP 113 Cb 0.53 -0.16 -0.09 0.00 -2.01 0.00 0.00 31.31 29.58 1j88 n TRP 113 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1j88 s ASP 114 N -2.12 5.22 0.05 -0.99 1.01 -1.26 -4.69 116.67 113.88 1j88 s ASP 114 Ca 0.09 0.05 0.09 0.00 0.71 0.00 0.00 52.55 53.48 1j88 s ASP 114 Cb -0.02 -1.41 -0.03 0.00 1.01 0.00 0.00 42.92 42.48 1j88 s ASP 114 CO 0.07 0.31 -0.24 -0.69 0.21 0.00 0.00 175.17 174.83 1j88 s VAL 115 N -1.05 1.94 0.28 -1.27 1.01 -1.26 -4.51 120.40 115.54 1j88 s VAL 115 Ca 0.18 -1.34 0.05 0.00 0.00 0.00 0.00 61.98 60.86 1j88 s VAL 115 Cb -0.12 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 1j88 s VAL 115 CO 0.09 0.27 0.00 -0.31 0.00 0.00 0.00 175.10 175.15 1j88 s TYR 116 N -0.83 1.82 -1.20 5.22 1.51 -0.52 -2.84 117.35 120.51 1j88 s TYR 116 Ca 0.10 -0.87 -0.18 0.00 -1.01 0.00 0.00 57.07 55.11 1j88 s TYR 116 Cb -0.10 -1.11 -0.00 0.00 -0.11 0.00 0.00 41.96 40.65 1j88 s TYR 116 CO 0.02 0.07 0.71 1.63 -1.11 0.00 0.00 175.55 176.87 1j88 n LYS 117 N -0.56 -1.55 -3.23 -0.62 5.02 -0.06 -0.23 118.16 116.92 1j88 n LYS 117 Ca -0.04 0.40 -0.39 0.00 -2.02 0.00 0.00 58.31 56.26 1j88 n LYS 117 Cb 0.65 -4.03 -0.06 0.00 -0.02 0.00 0.00 35.03 31.57 1j88 n LYS 117 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j88 s VAL 118 N -3.57 4.85 -0.04 -0.18 1.01 -0.38 -4.19 120.40 117.89 1j88 s VAL 118 Ca 0.38 1.23 -0.00 0.00 0.00 0.00 0.00 61.98 63.58 1j88 s VAL 118 Cb -0.15 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.34 1j88 s VAL 118 CO 0.88 0.47 0.01 -0.63 0.00 0.00 0.00 175.10 175.83 1j88 s ILE 119 N -0.54 0.20 -0.02 2.22 1.01 -0.39 -1.49 121.20 122.19 1j88 s ILE 119 Ca 0.30 0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.96 1j88 s ILE 119 Cb -0.19 -0.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 1j88 s ILE 119 CO 0.18 0.19 0.36 -0.31 0.00 0.00 0.00 174.94 175.36 1j88 s TYR 120 N 1.46 3.70 -0.02 3.97 1.51 -0.86 -0.98 117.35 126.14 1j88 s TYR 120 Ca -0.03 0.91 0.08 0.00 -1.01 0.00 0.00 57.07 57.01 1j88 s TYR 120 Cb -0.13 -2.24 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 1j88 s TYR 120 CO -0.03 0.64 -0.26 0.71 -1.11 0.00 0.00 175.55 175.51 1j88 s TYR 121 N -1.00 2.34 -0.17 2.71 1.51 0.19 -0.80 117.35 122.13 1j88 s TYR 121 Ca 0.22 -0.43 -0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1j88 s TYR 121 Cb -0.16 -1.50 0.04 0.00 -0.11 0.00 0.00 41.96 40.24 1j88 s TYR 121 CO 0.12 -0.02 -0.06 0.21 -1.11 0.00 0.00 175.55 174.69 1j88 s LYS 122 N -0.66 1.52 -1.29 -0.62 2.20 -0.57 -2.00 119.74 118.32 1j88 s LYS 122 Ca 0.10 -0.55 -0.07 0.00 -0.36 0.00 0.00 55.97 55.09 1j88 s LYS 122 Cb -0.10 -2.05 0.01 0.00 -1.51 0.00 0.00 37.83 34.18 1j88 s LYS 122 CO -0.01 -0.42 1.12 -0.25 -0.36 0.00 0.00 175.35 175.43 1j88 n ASP 123 N 4.85 -5.43 0.00 1.43 8.00 -0.27 -2.10 116.55 123.03 1j88 n ASP 123 Ca -0.12 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.84 1j88 n ASP 123 Cb 0.48 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 1j88 n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j88 n GLY 124 N -1.81 2.12 3.86 0.44 0.00 -1.26 -5.00 105.19 103.55 1j88 n GLY 124 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1j88 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j88 s GLU 125 N -0.04 3.79 0.62 1.61 0.41 -0.89 -5.06 118.70 119.14 1j88 s GLU 125 Ca 0.00 0.23 -0.17 0.00 -0.41 0.00 0.00 54.97 54.61 1j88 s GLU 125 Cb 0.00 -3.07 -0.02 0.00 -1.78 0.00 0.00 34.13 29.26 1j88 s GLU 125 CO 0.00 0.61 1.17 0.00 -0.49 0.00 0.00 175.26 176.55 1j88 s ALA 126 N -1.29 2.48 0.03 5.21 0.00 -1.26 -1.51 121.76 125.42 1j88 s ALA 126 Ca 0.30 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1j88 s ALA 126 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1j88 s ALA 126 CO 0.16 -1.24 0.00 -0.11 0.00 0.00 0.00 175.76 174.57 1j88 n LEU 127 N -1.92 0.06 -3.90 0.00 7.94 0.02 -4.76 117.00 114.43 1j88 n LEU 127 Ca 0.12 0.05 -0.10 0.00 -1.11 0.00 0.00 56.01 54.98 1j88 n LEU 127 Cb 0.51 0.01 -0.09 0.00 0.53 0.00 0.00 43.42 44.38 1j88 n LEU 127 CO 0.45 -0.35 -0.18 -0.54 -1.11 0.00 0.00 177.39 175.66 1j88 s LYS 128 N -2.00 0.62 -0.02 1.96 -0.14 -1.22 -4.98 119.74 113.96 1j88 s LYS 128 Ca 0.00 -0.71 -0.06 0.00 -1.36 0.00 0.00 55.97 53.84 1j88 s LYS 128 Cb 0.00 0.25 0.01 0.00 -1.68 0.00 0.00 37.83 36.40 1j88 s LYS 128 CO 0.00 -0.16 0.13 -0.47 -0.76 0.00 0.00 175.35 174.09 1j88 s TYR 129 N -2.57 -0.02 0.18 3.18 5.04 -1.26 -2.02 117.35 119.88 1j88 s TYR 129 Ca -0.05 0.05 -0.11 0.00 -2.44 0.00 0.00 57.07 54.52 1j88 s TYR 129 Cb -0.01 -0.02 -0.00 0.00 0.35 0.00 0.00 41.96 42.28 1j88 s TYR 129 CO -0.04 -0.20 0.35 -1.58 -1.34 0.00 0.00 175.55 172.74 1j88 s TRP 130 N -0.81 0.29 0.00 4.97 0.52 -0.55 -5.00 118.94 118.36 1j88 s TRP 130 Ca -0.09 -0.65 0.00 0.00 0.02 0.00 0.00 56.10 55.38 1j88 s TRP 130 Cb -0.05 0.06 0.00 0.00 -1.15 0.00 0.00 33.47 32.32 1j88 s TRP 130 CO 0.01 -0.79 0.00 0.98 0.02 0.00 0.00 176.95 177.17 1j88 n TYR 131 N -0.26 0.00 -2.27 -1.98 9.36 -1.26 -1.25 117.16 119.51 1j88 n TYR 131 Ca -0.07 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.72 1j88 n TYR 131 Cb 0.63 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.31 1j88 n TYR 131 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1j88 s GLU 132 N 0.00 4.29 1.11 2.98 0.41 -1.26 -0.88 118.70 125.35 1j88 s GLU 132 Ca 0.00 1.91 -0.15 0.00 -0.41 0.00 0.00 54.97 56.32 1j88 s GLU 132 Cb 0.00 -3.57 0.18 0.00 -1.78 0.00 0.00 34.13 28.95 1j88 s GLU 132 CO 0.00 -0.56 0.56 0.27 -0.49 0.00 0.00 175.26 175.04 1j88 n ASN 133 N 5.37 -1.86 -0.08 -0.19 6.94 -1.13 -4.96 115.26 119.35 1j88 n ASN 133 Ca 0.13 -0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 1j88 n ASN 133 Cb 0.44 -1.15 0.00 0.00 -2.36 0.00 0.00 39.78 36.71 1j88 n ASN 133 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1j88 n HIS 134 N -4.55 0.00 -3.31 -2.53 -0.00 -1.26 -5.08 115.22 98.48 1j88 n HIS 134 Ca 0.03 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.98 1j88 n HIS 134 Cb 0.57 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.36 1j88 n HIS 134 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1j88 s ASN 135 N 0.89 1.13 -0.12 0.26 4.22 -1.26 -4.49 114.94 115.57 1j88 s ASN 135 Ca 0.00 -2.67 -0.25 0.00 -2.14 0.00 0.00 52.86 47.80 1j88 s ASN 135 Cb 0.00 -0.01 -0.12 0.00 1.28 0.00 0.00 41.25 42.40 1j88 s ASN 135 CO 0.00 -0.17 0.75 0.00 -2.04 0.00 0.00 177.10 175.63 1j88 n ILE 136 N 3.09 0.00 -4.59 0.54 3.06 -1.20 -4.73 119.36 115.54 1j88 n ILE 136 Ca 0.25 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 60.26 1j88 n ILE 136 Cb 0.48 -0.12 -0.14 0.00 0.54 0.00 0.00 39.64 40.40 1j88 n ILE 136 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1j88 s SER 137 N 0.72 2.08 -0.08 9.51 0.15 -1.26 -2.37 113.70 122.45 1j88 s SER 137 Ca 0.56 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.76 1j88 s SER 137 Cb -0.79 -0.18 0.03 0.00 -1.71 0.00 0.00 66.02 63.37 1j88 s SER 137 CO 0.39 0.13 -0.02 -0.63 1.20 0.00 0.00 173.24 174.31 1j88 s ILE 138 N -0.71 0.55 0.00 6.45 1.01 -0.40 -5.02 121.20 123.07 1j88 s ILE 138 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1j88 s ILE 138 Cb -0.08 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.72 1j88 s ILE 138 CO 0.01 0.29 0.15 0.35 0.00 0.00 0.00 174.94 175.73 1j88 n THR 139 N 5.09 0.00 -3.06 2.92 -2.24 -1.26 -0.32 114.28 115.41 1j88 n THR 139 Ca -0.09 0.39 -0.43 0.00 -2.27 0.00 0.00 64.05 61.66 1j88 n THR 139 Cb 0.50 -0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 67.79 1j88 n THR 139 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j88 s ASN 140 N -1.75 6.39 -0.19 3.42 2.47 -1.26 -2.30 114.94 121.72 1j88 s ASN 140 Ca 0.00 -0.10 -0.23 0.00 0.42 0.00 0.00 52.86 52.95 1j88 s ASN 140 Cb 0.00 -2.34 -0.02 0.00 -1.45 0.00 0.00 41.25 37.44 1j88 s ASN 140 CO 0.00 -0.76 0.73 0.00 -3.72 0.00 0.00 177.10 173.35 1j88 s ALA 141 N 2.94 3.54 0.77 1.71 0.00 -0.80 -4.91 121.76 125.01 1j88 s ALA 141 Ca 0.26 -0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.02 1j88 s ALA 141 Cb -0.14 -3.10 0.11 0.00 0.00 0.00 0.00 23.12 19.99 1j88 s ALA 141 CO 0.19 -0.61 1.08 0.99 0.00 0.00 0.00 175.76 177.40 1j88 s THR 142 N 2.06 2.18 -0.89 0.00 2.01 -1.26 -0.89 115.64 118.85 1j88 s THR 142 Ca 0.33 -0.31 0.24 0.00 0.31 0.00 0.00 61.69 62.27 1j88 s THR 142 Cb -0.16 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1j88 s THR 142 CO 0.11 0.00 1.30 0.55 -0.69 0.00 0.00 174.62 175.89 1j88 n VAL 143 N -3.09 0.08 1.18 3.82 3.14 -1.26 -3.50 118.33 118.69 1j88 n VAL 143 Ca 0.12 -0.08 0.14 0.00 -2.96 0.00 0.00 64.34 61.57 1j88 n VAL 143 Cb 0.60 0.25 0.66 0.00 -1.06 0.00 0.00 33.84 34.29 1j88 n VAL 143 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j88 n GLU 144 N -1.66 0.20 0.00 1.45 4.71 -1.26 -3.04 120.64 121.05 1j88 n GLU 144 Ca 0.05 -0.01 0.14 0.00 -0.01 0.00 0.00 57.16 57.32 1j88 n GLU 144 Cb 0.36 -1.50 0.59 0.00 -1.01 0.00 0.00 31.44 29.89 1j88 n GLU 144 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1j88 n ASP 145 N -1.39 0.05 -4.75 1.62 8.00 -1.23 -4.85 116.55 114.00 1j88 n ASP 145 Ca 0.10 0.46 -0.35 0.00 0.71 0.00 0.00 54.79 55.72 1j88 n ASP 145 Cb 0.30 -0.47 0.05 0.00 -0.02 0.00 0.00 41.12 40.98 1j88 n ASP 145 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1j88 s SER 146 N -3.04 4.95 0.00 -2.24 0.01 -1.17 -4.92 113.70 107.29 1j88 s SER 146 Ca 0.14 2.25 0.00 0.00 1.31 0.00 0.00 55.95 59.65 1j88 s SER 146 Cb 0.19 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1j88 s SER 146 CO 0.54 -1.75 0.00 0.61 0.41 0.00 0.00 173.24 173.05 1j88 n GLY 147 N 0.17 -0.31 3.02 3.44 0.00 0.04 -5.01 105.19 106.55 1j88 n GLY 147 Ca 0.12 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 1j88 n GLY 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j88 s THR 148 N -2.97 1.70 0.37 2.61 -4.23 -1.26 0.26 115.64 112.11 1j88 s THR 148 Ca 0.00 -0.89 0.07 0.00 -1.18 0.00 0.00 61.69 59.69 1j88 s THR 148 Cb 0.00 -1.67 -0.01 0.00 1.34 0.00 0.00 72.50 72.15 1j88 s THR 148 CO 0.00 0.31 0.43 -0.31 -0.54 0.00 0.00 174.62 174.52 1j88 s TYR 149 N 1.40 2.92 -0.24 3.99 1.51 0.15 -1.12 117.35 125.96 1j88 s TYR 149 Ca 0.01 -0.33 -0.32 0.00 -1.01 0.00 0.00 57.07 55.43 1j88 s TYR 149 Cb -0.15 -2.07 0.16 0.00 -0.11 0.00 0.00 41.96 39.80 1j88 s TYR 149 CO -0.10 -0.08 1.27 1.52 -1.11 0.00 0.00 175.55 177.06 1j88 s TYR 150 N -2.30 -0.11 0.16 2.71 -0.85 -0.85 0.70 117.35 116.82 1j88 s TYR 150 Ca 0.47 0.15 0.06 0.00 -0.52 0.00 0.00 57.07 57.23 1j88 s TYR 150 Cb -0.08 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 1j88 s TYR 150 CO 0.30 -0.12 -0.14 0.00 -1.52 0.00 0.00 175.55 174.07 1j88 s THR 152 N -2.69 1.81 0.04 0.00 -4.23 -0.16 -1.70 115.64 108.72 1j88 s THR 152 Ca 0.16 -1.65 -0.28 0.00 -1.18 0.00 0.00 61.69 58.74 1j88 s THR 152 Cb -0.02 -1.67 0.09 0.00 1.34 0.00 0.00 72.50 72.24 1j88 s THR 152 CO 0.04 -0.10 0.98 -0.83 -0.54 0.00 0.00 174.62 174.17 1j88 s GLY 153 N -2.09 -0.36 -0.22 3.99 0.00 -0.73 -1.26 107.32 106.65 1j88 s GLY 153 Ca 0.09 0.69 -0.09 0.00 0.00 0.00 0.00 44.72 45.41 1j88 s GLY 153 CO 0.05 0.20 0.12 1.25 0.00 0.00 0.00 173.10 174.73 1j88 s LYS 154 N -3.06 4.03 -0.13 2.90 2.20 0.68 -0.83 119.74 125.53 1j88 s LYS 154 Ca 0.09 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.42 1j88 s LYS 154 Cb -0.01 -3.42 -0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1j88 s LYS 154 CO -0.04 0.13 -0.20 0.08 -0.36 0.00 0.00 175.35 174.97 1j88 s VAL 155 N 0.82 2.39 0.00 4.02 1.01 0.33 -1.43 120.40 127.54 1j88 s VAL 155 Ca 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1j88 s VAL 155 Cb -0.13 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1j88 s VAL 155 CO 0.02 0.54 0.00 0.79 0.00 0.00 0.00 175.10 176.45 1j88 n TRP 156 N 3.75 0.00 -1.33 5.22 5.03 -1.26 -0.98 117.44 127.88 1j88 n TRP 156 Ca -0.19 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.34 1j88 n TRP 156 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.80 1j88 n TRP 156 CO 0.00 0.00 0.00 1.04 -0.03 0.00 0.00 177.69 178.70 1j88 n GLN 157 N 0.00 0.00 -4.42 -0.99 1.13 -1.26 -5.08 117.38 106.76 1j88 n GLN 157 Ca 0.00 -0.50 -0.26 0.00 -1.94 0.00 0.00 57.00 54.30 1j88 n GLN 157 Cb 0.00 -0.42 -0.11 0.00 0.11 0.00 0.00 30.24 29.82 1j88 n GLN 157 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1j88 s LEU 158 N 0.00 2.46 0.06 1.08 1.43 -0.15 -5.12 118.68 118.44 1j88 s LEU 158 Ca 0.00 -0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 52.04 1j88 s LEU 158 Cb 0.00 -1.12 -0.06 0.00 0.03 0.00 0.00 46.19 45.04 1j88 s LEU 158 CO 0.00 0.09 0.50 -1.81 0.23 0.00 0.00 176.35 175.36 1j88 s ASP 159 N -2.81 6.91 0.01 2.29 1.01 -1.26 -0.51 116.67 122.31 1j88 s ASP 159 Ca 0.22 1.10 -0.00 0.00 0.71 0.00 0.00 52.55 54.57 1j88 s ASP 159 Cb -0.07 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.55 1j88 s ASP 159 CO 0.10 0.26 -0.02 -0.31 0.21 0.00 0.00 175.17 175.42 1j88 s TYR 160 N -1.17 0.18 -0.03 4.23 1.51 -0.01 -4.96 117.35 117.08 1j88 s TYR 160 Ca 0.29 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 56.04 1j88 s TYR 160 Cb -0.17 -0.13 -0.02 0.00 -0.11 0.00 0.00 41.96 41.52 1j88 s TYR 160 CO 0.17 -0.13 -0.18 -2.00 -1.11 0.00 0.00 175.55 172.30 1j88 s GLU 161 N -1.01 2.36 0.52 -0.62 2.12 -1.26 -1.77 118.70 119.03 1j88 s GLU 161 Ca -0.11 -0.78 -0.01 0.00 0.36 0.00 0.00 54.97 54.43 1j88 s GLU 161 Cb -0.07 -2.27 0.01 0.00 0.26 0.00 0.00 34.13 32.07 1j88 s GLU 161 CO -0.01 0.60 0.76 -1.54 -0.54 0.00 0.00 175.26 174.53 1j88 s SER 162 N -0.74 5.56 0.35 -1.70 1.04 -0.69 -4.75 113.70 112.77 1j88 s SER 162 Ca 0.11 0.28 -0.27 0.00 0.48 0.00 0.00 55.95 56.55 1j88 s SER 162 Cb -0.10 -1.33 -0.09 0.00 0.10 0.00 0.00 66.02 64.59 1j88 s SER 162 CO 0.00 -0.95 1.20 -1.61 0.98 0.00 0.00 173.24 172.86 1j88 s GLU 163 N -4.73 4.27 0.65 4.02 0.41 -1.26 -4.70 118.70 117.36 1j88 s GLU 163 Ca 0.53 1.96 -0.15 0.00 -0.41 0.00 0.00 54.97 56.90 1j88 s GLU 163 Cb -0.10 -2.91 -0.01 0.00 -1.78 0.00 0.00 34.13 29.33 1j88 s GLU 163 CO 0.40 -0.17 1.09 -1.25 -0.49 0.00 0.00 175.26 174.84 1j88 s PRO 164 N -1.95 2.95 -0.04 0.39 0.04 -1.26 -4.61 135.00 130.52 1j88 s PRO 164 Ca 0.52 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 1j88 s PRO 164 Cb -0.34 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.26 1j88 s PRO 164 CO 0.44 -1.11 0.07 -1.17 0.04 0.00 0.00 177.00 175.27 1j88 s LEU 165 N -4.87 0.60 0.10 -3.56 2.96 0.22 -4.97 118.68 109.16 1j88 s LEU 165 Ca 0.65 0.13 -0.25 0.00 -0.22 0.00 0.00 54.13 54.44 1j88 s LEU 165 Cb -0.18 0.02 -0.07 0.00 0.50 0.00 0.00 46.19 46.46 1j88 s LEU 165 CO 0.42 -0.18 0.76 0.20 -1.32 0.00 0.00 176.35 176.22 1j88 s ASN 166 N 1.56 7.28 -0.05 3.68 0.01 -1.26 -0.68 114.94 125.49 1j88 s ASN 166 Ca -0.03 1.52 0.01 0.00 -0.71 0.00 0.00 52.86 53.65 1j88 s ASN 166 Cb -0.12 -2.47 0.02 0.00 0.41 0.00 0.00 41.25 39.08 1j88 s ASN 166 CO -0.04 0.11 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.97 1j88 s ILE 167 N -0.58 0.67 -0.03 0.60 1.01 0.14 -4.92 121.20 118.09 1j88 s ILE 167 Ca 0.37 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.88 1j88 s ILE 167 Cb -0.22 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 1j88 s ILE 167 CO 0.24 0.25 -0.25 -0.89 0.00 0.00 0.00 174.94 174.29 1j88 s THR 168 N 0.82 1.98 -0.31 2.92 2.01 -0.76 -0.78 115.64 121.53 1j88 s THR 168 Ca -0.12 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 60.84 1j88 s THR 168 Cb -0.15 -1.66 0.08 0.00 0.01 0.00 0.00 72.50 70.79 1j88 s THR 168 CO 0.01 0.56 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.80 1j88 s VAL 169 N -0.46 2.39 0.69 3.82 1.01 -1.26 -0.02 120.40 126.58 1j88 s VAL 169 Ca 0.06 -1.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.09 1j88 s VAL 169 Cb -0.11 -2.56 0.09 0.00 0.00 0.00 0.00 36.38 33.80 1j88 s VAL 169 CO 0.00 -0.31 0.97 0.27 0.00 0.00 0.00 175.10 176.04 1j88 s ILE 170 N 1.04 2.30 0.00 2.22 -4.36 -0.38 -4.79 121.20 117.23 1j88 s ILE 170 Ca 0.01 -0.47 0.00 0.00 -0.26 0.00 0.00 60.65 59.92 1j88 s ILE 170 Cb -0.20 -2.82 0.00 0.00 1.25 0.00 0.00 42.46 40.69 1j88 s ILE 170 CO -0.06 0.00 0.28 2.29 0.24 0.00 0.00 174.94 177.69