#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n12 s PRO 13 N 0.00 4.27 0.61 7.34 0.04 -1.26 -4.99 135.00 141.00 1n12 s PRO 13 Ca 0.00 2.32 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 1n12 s PRO 13 Cb 0.00 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 1n12 s PRO 13 CO 0.00 -0.37 1.02 0.00 0.04 0.00 0.00 177.00 177.69 1n12 s ALA 14 N -0.49 3.04 0.65 8.56 0.00 -1.26 -4.66 121.76 127.60 1n12 s ALA 14 Ca 0.55 -0.00 -0.14 0.00 0.00 0.00 0.00 51.96 52.38 1n12 s ALA 14 Cb -0.42 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1n12 s ALA 14 CO 0.49 -0.66 1.07 0.00 0.00 0.00 0.00 175.76 176.66 1n12 s THR 16 N -2.65 5.18 0.00 0.00 2.01 0.69 -4.66 115.64 116.21 1n12 s THR 16 Ca 0.62 -0.63 -0.24 0.00 0.31 0.00 0.00 61.69 61.75 1n12 s THR 16 Cb -0.16 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1n12 s THR 16 CO 0.45 -0.42 0.73 -0.69 -0.69 0.00 0.00 174.62 173.99 1n12 s VAL 17 N 1.87 4.86 0.03 3.82 1.01 -1.26 -0.57 120.40 130.16 1n12 s VAL 17 Ca 0.08 1.53 -0.25 0.00 0.00 0.00 0.00 61.98 63.34 1n12 s VAL 17 Cb -0.19 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1n12 s VAL 17 CO 0.11 0.33 0.75 -0.44 0.00 0.00 0.00 175.10 175.84 1n12 s SER 18 N 0.24 7.18 0.56 3.32 0.01 -0.39 -5.00 113.70 119.62 1n12 s SER 18 Ca 0.38 1.41 -0.21 0.00 1.31 0.00 0.00 55.95 58.84 1n12 s SER 18 Cb -0.19 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1n12 s SER 18 CO 0.21 0.01 1.34 0.20 0.41 0.00 0.00 173.24 175.41 1n12 s ASN 19 N -0.01 5.19 0.20 2.44 -0.87 -1.26 -4.56 114.94 116.07 1n12 s ASN 19 Ca 0.38 2.72 -0.11 0.00 -1.57 0.00 0.00 52.86 54.28 1n12 s ASN 19 Cb -0.20 -2.63 -0.00 0.00 -0.02 0.00 0.00 41.25 38.39 1n12 s ASN 19 CO 0.22 -1.62 0.38 0.28 -2.57 0.00 0.00 177.10 173.80 1n12 s THR 20 N -1.33 0.03 -0.01 1.60 -1.32 -1.26 -4.99 115.64 108.37 1n12 s THR 20 Ca 0.73 -1.33 0.02 0.00 -1.21 0.00 0.00 61.69 59.91 1n12 s THR 20 Cb -0.39 -1.96 -0.01 0.00 -1.51 0.00 0.00 72.50 68.63 1n12 s THR 20 CO 0.46 -0.15 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.75 1n12 s THR 21 N -3.98 0.62 -0.28 5.08 2.01 -1.26 -5.10 115.64 112.73 1n12 s THR 21 Ca 0.19 -0.35 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 1n12 s THR 21 Cb 0.01 -0.52 0.03 0.00 0.01 0.00 0.00 72.50 72.02 1n12 s THR 21 CO 0.03 0.17 0.01 -0.69 -0.69 0.00 0.00 174.62 173.45 1n12 s VAL 22 N -0.20 3.35 -0.22 3.82 1.01 -1.26 -5.04 120.40 121.86 1n12 s VAL 22 Ca 0.03 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1n12 s VAL 22 Cb -0.03 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1n12 s VAL 22 CO -0.00 0.07 -0.10 -0.62 0.00 0.00 0.00 175.10 174.45 1n12 s ASP 23 N 1.38 3.94 0.00 3.32 3.68 -1.26 -4.98 116.67 122.75 1n12 s ASP 23 Ca -0.00 -0.69 0.27 0.00 2.13 0.00 0.00 52.55 54.26 1n12 s ASP 23 Cb -0.18 -1.62 0.92 0.00 -1.45 0.00 0.00 42.92 40.59 1n12 s ASP 23 CO -0.01 -0.06 1.70 0.79 0.13 0.00 0.00 175.17 177.72 1n12 n TRP 24 N 4.68 0.00 -4.32 -5.34 8.01 -1.26 -5.03 117.44 114.18 1n12 n TRP 24 Ca -0.18 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.01 1n12 n TRP 24 Cb 0.49 -0.34 0.00 0.00 -2.01 0.00 0.00 31.31 29.45 1n12 n TRP 24 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1n12 n GLN 25 N -1.40 0.00 -2.77 -0.99 1.13 -1.26 -4.58 117.38 107.51 1n12 n GLN 25 Ca 0.08 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.72 1n12 n GLN 25 Cb 0.33 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.64 1n12 n GLN 25 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1n12 s ASP 26 N -4.00 7.33 -0.16 1.08 1.01 -1.26 -5.04 116.67 115.64 1n12 s ASP 26 Ca 0.00 1.61 -0.01 0.00 0.71 0.00 0.00 52.55 54.86 1n12 s ASP 26 Cb 0.00 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.42 1n12 s ASP 26 CO 0.00 -0.19 -0.05 -0.69 0.21 0.00 0.00 175.17 174.44 1n12 s VAL 27 N 0.75 1.07 -0.12 -1.27 1.01 -1.26 -5.11 120.40 115.47 1n12 s VAL 27 Ca 0.48 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1n12 s VAL 27 Cb -0.21 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1n12 s VAL 27 CO 0.27 0.16 1.27 -1.61 0.00 0.00 0.00 175.10 175.19 1n12 s GLU 28 N 1.66 4.26 0.22 2.72 2.02 -1.26 -4.92 118.70 123.40 1n12 s GLU 28 Ca 0.01 1.70 -0.09 0.00 0.02 0.00 0.00 54.97 56.62 1n12 s GLU 28 Cb -0.15 -3.71 0.33 0.00 0.10 0.00 0.00 34.13 30.70 1n12 s GLU 28 CO -0.08 -0.64 1.69 0.82 0.02 0.00 0.00 175.26 177.08 1n12 h ILE 29 N 5.34 0.58 0.00 -1.63 2.04 -1.99 -0.46 117.51 121.39 1n12 h ILE 29 Ca -0.30 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1n12 h ILE 29 Cb 1.13 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1n12 h ILE 29 CO 0.94 0.04 0.09 -0.61 0.00 0.00 0.00 178.15 178.62 1n12 h GLN 30 N 0.23 0.00 -0.08 2.37 5.75 -2.04 -1.40 115.11 119.94 1n12 h GLN 30 Ca 0.34 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.84 1n12 h GLN 30 Cb 0.53 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.08 1n12 h GLN 30 CO -0.45 0.00 0.00 0.25 -2.65 0.00 0.00 178.83 175.98 1n12 n THR 31 N -2.36 0.07 -2.62 2.39 -2.24 -0.18 -4.97 114.28 104.37 1n12 n THR 31 Ca -0.02 -0.53 -0.40 0.00 -2.27 0.00 0.00 64.05 60.83 1n12 n THR 31 Cb 0.13 1.42 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 1n12 n THR 31 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n12 s LEU 32 N -1.93 4.59 -0.16 3.22 1.43 -0.53 -4.93 118.68 120.36 1n12 s LEU 32 Ca 0.30 2.08 -0.08 0.00 -1.03 0.00 0.00 54.13 55.39 1n12 s LEU 32 Cb 0.20 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1n12 s LEU 32 CO 0.30 -0.00 0.13 -0.55 0.23 0.00 0.00 176.35 176.46 1n12 s SER 33 N -0.91 6.26 0.38 2.29 0.15 -1.26 -4.99 113.70 115.62 1n12 s SER 33 Ca 0.43 0.33 0.05 0.00 0.70 0.00 0.00 55.95 57.46 1n12 s SER 33 Cb -0.28 -2.07 0.74 0.00 -1.71 0.00 0.00 66.02 62.70 1n12 s SER 33 CO 0.36 0.29 2.02 -0.61 1.20 0.00 0.00 173.24 176.49 1n12 h GLN 34 N 5.89 0.70 0.00 5.44 4.15 -1.90 -0.57 115.11 128.82 1n12 h GLN 34 Ca -0.47 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1n12 h GLN 34 Cb 1.19 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1n12 h GLN 34 CO 0.67 0.46 0.00 0.09 -1.93 0.00 0.00 178.83 178.13 1n12 n ASN 35 N -4.46 0.69 0.00 -0.69 3.02 -1.26 -3.11 115.26 109.45 1n12 n ASN 35 Ca 0.06 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.20 1n12 n ASN 35 Cb 0.10 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 1n12 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n12 n GLY 36 N 1.00 2.33 0.00 7.41 0.00 -0.22 -4.84 105.19 110.88 1n12 n GLY 36 Ca 0.05 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1n12 n GLY 36 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1n12 n ASN 37 N 0.00 0.00 -3.84 1.61 6.94 0.38 -4.81 115.26 115.54 1n12 n ASN 37 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.27 1n12 n ASN 37 Cb 0.00 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.46 1n12 n ASN 37 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1n12 n HIS 38 N 0.00 -2.44 -1.61 -2.53 8.25 -1.26 -0.53 115.22 115.09 1n12 n HIS 38 Ca 0.00 0.93 -0.47 0.00 -0.26 0.00 0.00 57.72 57.92 1n12 n HIS 38 Cb 0.00 -4.24 -0.03 0.00 1.12 0.00 0.00 29.99 26.84 1n12 n HIS 38 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1n12 n GLU 39 N -4.76 1.47 -3.77 -0.41 2.13 -1.26 -4.45 120.64 109.58 1n12 n GLU 39 Ca 0.03 0.52 -0.15 0.00 0.66 0.00 0.00 57.16 58.23 1n12 n GLU 39 Cb 0.53 -2.06 -0.16 0.00 0.27 0.00 0.00 31.44 30.03 1n12 n GLU 39 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1n12 s LYS 40 N -0.50 -0.02 0.12 5.31 2.20 0.79 -4.98 119.74 122.67 1n12 s LYS 40 Ca 0.70 0.20 -0.13 0.00 -0.36 0.00 0.00 55.97 56.39 1n12 s LYS 40 Cb -0.77 -0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 35.25 1n12 s LYS 40 CO 0.52 -0.16 0.49 -1.21 -0.36 0.00 0.00 175.35 174.63 1n12 s GLU 41 N 1.04 3.89 0.11 4.03 2.02 -1.26 -0.77 118.70 127.76 1n12 s GLU 41 Ca -0.09 0.37 -0.12 0.00 0.02 0.00 0.00 54.97 55.15 1n12 s GLU 41 Cb -0.12 -2.96 0.01 0.00 0.10 0.00 0.00 34.13 31.16 1n12 s GLU 41 CO -0.03 0.51 0.28 -0.59 0.02 0.00 0.00 175.26 175.46 1n12 s PHE 42 N -1.43 0.00 0.24 1.61 -0.12 -0.14 -4.99 117.98 113.16 1n12 s PHE 42 Ca 0.36 -0.39 0.11 0.00 -0.05 0.00 0.00 56.93 56.96 1n12 s PHE 42 Cb -0.15 0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 1n12 s PHE 42 CO 0.19 -0.62 -0.15 0.95 -0.05 0.00 0.00 175.22 175.54 1n12 s THR 43 N -3.84 2.78 -0.06 -4.49 -4.23 -1.26 -0.93 115.64 103.61 1n12 s THR 43 Ca 0.04 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.48 1n12 s THR 43 Cb 0.04 -2.42 0.02 0.00 1.34 0.00 0.00 72.50 71.47 1n12 s THR 43 CO -0.11 -0.28 -0.07 -0.69 -0.54 0.00 0.00 174.62 172.93 1n12 s VAL 44 N -2.14 0.78 0.41 2.29 1.01 -0.48 -4.95 120.40 117.32 1n12 s VAL 44 Ca 0.27 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1n12 s VAL 44 Cb -0.07 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1n12 s VAL 44 CO 0.15 0.29 0.44 0.20 0.00 0.00 0.00 175.10 176.18 1n12 s ASN 45 N 0.98 5.31 -0.10 3.32 0.01 -1.26 -1.15 114.94 122.05 1n12 s ASN 45 Ca -0.10 -0.60 -0.01 0.00 -0.71 0.00 0.00 52.86 51.44 1n12 s ASN 45 Cb -0.14 -0.65 0.03 0.00 0.41 0.00 0.00 41.25 40.90 1n12 s ASN 45 CO 0.00 -0.66 -0.00 -0.60 -1.51 0.00 0.00 177.10 174.32 1n12 s ARG 47 N -4.20 0.75 -0.57 -0.60 6.06 0.26 -1.26 118.95 119.39 1n12 s ARG 47 Ca 0.50 -0.04 0.04 0.00 -2.50 0.00 0.00 55.73 53.73 1n12 s ARG 47 Cb -0.06 -1.26 0.15 0.00 0.06 0.00 0.00 34.95 33.84 1n12 s ARG 47 CO 0.30 -0.36 0.35 0.00 -2.50 0.00 0.00 175.30 173.09 1n12 h PRO 49 N 6.08 0.69 -4.61 0.00 0.11 -1.90 -3.32 132.00 129.05 1n12 h PRO 49 Ca 0.03 -0.04 -0.70 0.00 0.11 0.00 0.00 66.00 65.40 1n12 h PRO 49 Cb 0.85 -0.16 -0.21 0.00 0.11 0.00 0.00 31.00 31.59 1n12 h PRO 49 CO 0.65 0.46 -0.47 -0.47 -0.21 0.00 0.00 178.00 177.95 1n12 s TYR 50 N -5.94 3.23 -0.21 0.65 5.04 -1.26 -4.94 117.35 113.92 1n12 s TYR 50 Ca -0.12 -0.55 0.19 0.00 -2.44 0.00 0.00 57.07 54.15 1n12 s TYR 50 Cb 0.23 -2.50 0.47 0.00 0.35 0.00 0.00 41.96 40.50 1n12 s TYR 50 CO 0.79 -0.52 1.15 0.27 -1.34 0.00 0.00 175.55 175.90 1n12 n ASN 51 N 5.09 2.24 -4.86 4.32 6.94 -1.25 -4.46 115.26 123.29 1n12 n ASN 51 Ca -0.12 -2.63 -0.36 0.00 -0.02 0.00 0.00 54.58 51.45 1n12 n ASN 51 Cb 0.48 -0.41 -0.06 0.00 -2.36 0.00 0.00 39.78 37.43 1n12 n ASN 51 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1n12 s LEU 52 N -2.88 4.39 0.00 -4.53 1.43 -1.26 -4.88 118.68 110.95 1n12 s LEU 52 Ca 0.35 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1n12 s LEU 52 Cb 0.36 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1n12 s LEU 52 CO -0.05 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1n12 n GLY 53 N 1.24 0.82 0.00 -3.19 0.00 -1.26 -3.68 105.19 99.12 1n12 n GLY 53 Ca -0.10 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1n12 n GLY 53 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n12 n THR 54 N 0.00 0.00 -3.63 2.61 -2.24 -1.26 -4.86 114.28 104.90 1n12 n THR 54 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1n12 n THR 54 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1n12 n THR 54 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1n12 s LYS 56 N 4.80 0.21 -0.03 -0.78 -0.14 -0.11 -1.77 119.74 121.92 1n12 s LYS 56 Ca 0.00 0.38 0.06 0.00 -1.36 0.00 0.00 55.97 55.05 1n12 s LYS 56 Cb 0.00 0.05 -0.02 0.00 -1.68 0.00 0.00 37.83 36.18 1n12 s LYS 56 CO 0.00 -0.05 -0.22 0.08 -0.76 0.00 0.00 175.35 174.41 1n12 s VAL 57 N 1.25 2.41 -0.06 3.17 1.01 0.70 -2.00 120.40 126.88 1n12 s VAL 57 Ca -0.08 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1n12 s VAL 57 Cb -0.03 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1n12 s VAL 57 CO -0.13 0.58 -0.10 -0.89 0.00 0.00 0.00 175.10 174.56 1n12 s THR 58 N -0.60 1.00 -0.12 3.92 2.01 -0.36 -1.25 115.64 120.24 1n12 s THR 58 Ca 0.09 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1n12 s THR 58 Cb -0.11 -0.93 -0.00 0.00 0.01 0.00 0.00 72.50 71.47 1n12 s THR 58 CO -0.00 0.33 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.43 1n12 s ILE 59 N 0.74 2.44 0.14 1.82 1.01 -1.26 -1.38 121.20 124.72 1n12 s ILE 59 Ca -0.13 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.70 1n12 s ILE 59 Cb -0.15 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1n12 s ILE 59 CO 0.03 0.54 -0.12 0.42 0.00 0.00 0.00 174.94 175.81 1n12 s THR 60 N 0.43 1.32 0.01 2.92 -4.23 -0.22 -0.47 115.64 115.41 1n12 s THR 60 Ca -0.14 -1.93 -0.11 0.00 -1.18 0.00 0.00 61.69 58.34 1n12 s THR 60 Cb -0.17 -1.72 0.01 0.00 1.34 0.00 0.00 72.50 71.96 1n12 s THR 60 CO 0.06 -0.58 0.22 0.00 -0.54 0.00 0.00 174.62 173.78 1n12 s ALA 61 N -2.74 -0.50 0.12 3.99 0.00 -1.26 -0.01 121.76 121.36 1n12 s ALA 61 Ca 0.14 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.07 1n12 s ALA 61 Cb -0.01 0.17 -0.17 0.00 0.00 0.00 0.00 23.12 23.12 1n12 s ALA 61 CO 0.03 -0.29 1.26 1.79 0.00 0.00 0.00 175.76 178.55 1n12 h THR 62 N 3.80 1.56 -3.71 0.00 1.35 -1.99 -3.42 112.91 110.49 1n12 h THR 62 Ca -0.31 -3.00 -0.68 0.00 -0.55 0.00 0.00 66.41 61.87 1n12 h THR 62 Cb 1.19 2.75 -0.34 0.00 -1.73 0.00 0.00 68.15 70.02 1n12 h THR 62 CO 0.43 0.87 -0.75 0.20 -0.25 0.00 0.00 175.52 176.02 1n12 s ASN 63 N -6.95 4.55 0.16 5.36 0.01 -1.26 -5.09 114.94 111.71 1n12 s ASN 63 Ca -0.02 -1.20 -0.00 0.00 -0.71 0.00 0.00 52.86 50.93 1n12 s ASN 63 Cb 0.09 -1.64 -0.04 0.00 0.41 0.00 0.00 41.25 40.07 1n12 s ASN 63 CO 0.85 -0.20 0.05 0.42 -1.51 0.00 0.00 177.10 176.71 1n12 s THR 64 N 1.22 0.27 -0.22 1.60 -4.23 -1.26 -0.86 115.64 112.17 1n12 s THR 64 Ca -0.05 -1.95 -0.06 0.00 -1.18 0.00 0.00 61.69 58.46 1n12 s THR 64 Cb -0.19 -2.17 0.11 0.00 1.34 0.00 0.00 72.50 71.59 1n12 s THR 64 CO -0.04 -0.37 0.43 -0.47 -0.54 0.00 0.00 174.62 173.63 1n12 s TYR 65 N -3.94 -0.86 -1.39 3.99 5.04 0.17 -4.75 117.35 115.61 1n12 s TYR 65 Ca 0.27 1.43 -0.12 0.00 -2.44 0.00 0.00 57.07 56.21 1n12 s TYR 65 Cb 0.07 0.28 0.01 0.00 0.35 0.00 0.00 41.96 42.68 1n12 s TYR 65 CO 0.05 -0.55 0.34 0.09 -1.34 0.00 0.00 175.55 174.13 1n12 n ASN 66 N 5.39 -1.26 -0.21 4.32 4.13 -1.26 -1.18 115.26 125.19 1n12 n ASN 66 Ca -0.07 -1.22 -0.03 0.00 1.68 0.00 0.00 54.58 54.94 1n12 n ASN 66 Cb 0.50 -2.00 -0.01 0.00 -1.54 0.00 0.00 39.78 36.73 1n12 n ASN 66 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1n12 n ASN 67 N -2.67 -3.76 -4.34 6.41 5.15 -1.26 -5.02 115.26 109.78 1n12 n ASN 67 Ca -0.24 0.07 -0.23 0.00 -0.60 0.00 0.00 54.58 53.57 1n12 n ASN 67 Cb 0.65 -1.49 -0.12 0.00 -0.53 0.00 0.00 39.78 38.29 1n12 n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1n12 s ALA 68 N -1.96 2.06 -0.08 5.20 0.00 -0.32 -4.65 121.76 122.02 1n12 s ALA 68 Ca 0.00 -1.48 -0.29 0.00 0.00 0.00 0.00 51.96 50.19 1n12 s ALA 68 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1n12 s ALA 68 CO 0.00 0.29 0.98 0.42 0.00 0.00 0.00 175.76 177.45 1n12 s ILE 69 N -1.84 4.83 -0.34 0.00 1.01 -0.19 -0.65 121.20 124.01 1n12 s ILE 69 Ca 0.15 2.00 -0.17 0.00 0.00 0.00 0.00 60.65 62.63 1n12 s ILE 69 Cb -0.07 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.10 1n12 s ILE 69 CO 0.07 0.06 0.44 -0.22 0.00 0.00 0.00 174.94 175.29 1n12 s LEU 70 N 1.68 4.36 -0.22 2.97 2.96 -0.04 -0.82 118.68 129.58 1n12 s LEU 70 Ca 0.48 -0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 54.02 1n12 s LEU 70 Cb -0.19 -2.47 -0.00 0.00 0.50 0.00 0.00 46.19 44.03 1n12 s LEU 70 CO 0.20 -0.40 1.19 -0.69 -1.32 0.00 0.00 176.35 175.33 1n12 s VAL 71 N 2.21 4.40 0.61 1.68 1.01 -0.30 -4.71 120.40 125.29 1n12 s VAL 71 Ca 0.16 1.67 -0.19 0.00 0.00 0.00 0.00 61.98 63.62 1n12 s VAL 71 Cb -0.16 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1n12 s VAL 71 CO 0.12 -0.23 1.24 -1.10 0.00 0.00 0.00 175.10 175.13 1n12 s GLN 72 N 3.53 2.84 -1.47 2.72 -1.52 -1.26 -3.71 119.66 120.79 1n12 s GLN 72 Ca 0.51 1.90 -0.11 0.00 -1.95 0.00 0.00 55.36 55.71 1n12 s GLN 72 Cb -0.18 -1.90 0.05 0.00 -0.22 0.00 0.00 33.01 30.76 1n12 s GLN 72 CO 0.13 -1.33 1.01 0.09 -0.25 0.00 0.00 175.29 174.94 1n12 n ASN 73 N -1.69 -5.43 -0.12 5.90 3.02 -1.26 -4.80 115.26 110.87 1n12 n ASN 73 Ca 0.14 -0.64 0.01 0.00 -0.03 0.00 0.00 54.58 54.07 1n12 n ASN 73 Cb 0.49 -4.32 0.02 0.00 -0.61 0.00 0.00 39.78 35.37 1n12 n ASN 73 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1n12 n THR 74 N -4.76 0.63 -3.83 3.41 -2.24 -1.24 -4.86 114.28 101.39 1n12 n THR 74 Ca 0.02 -0.81 -0.12 0.00 -2.27 0.00 0.00 64.05 60.87 1n12 n THR 74 Cb 0.54 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 69.38 1n12 n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1n12 s SER 75 N -0.70 -0.05 0.46 3.42 0.15 -1.26 -0.33 113.70 115.38 1n12 s SER 75 Ca 0.04 -0.09 0.14 0.00 0.70 0.00 0.00 55.95 56.74 1n12 s SER 75 Cb 0.02 0.25 1.08 0.00 -1.71 0.00 0.00 66.02 65.66 1n12 s SER 75 CO 0.03 -0.38 2.02 0.78 1.20 0.00 0.00 173.24 176.89 1n12 h ASN 76 N 4.21 0.28 -3.60 5.45 2.35 -1.11 -3.34 115.58 119.83 1n12 h ASN 76 Ca -0.30 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 54.80 1n12 h ASN 76 Cb 1.19 -0.06 -0.15 0.00 0.05 0.00 0.00 38.32 39.35 1n12 h ASN 76 CO 0.40 0.18 -0.03 -0.89 -1.65 0.00 0.00 177.43 175.44 1n12 s THR 77 N -5.31 5.00 0.62 2.81 2.01 -1.26 -4.95 115.64 114.55 1n12 s THR 77 Ca -0.07 0.34 0.30 0.00 0.31 0.00 0.00 61.69 62.57 1n12 s THR 77 Cb 0.19 -3.98 0.35 0.00 0.01 0.00 0.00 72.50 69.07 1n12 s THR 77 CO 0.73 -0.24 1.97 0.77 -0.69 0.00 0.00 174.62 177.16 1n12 h SER 78 N 8.48 0.00 0.04 3.53 4.64 -2.01 -0.19 113.55 128.04 1n12 h SER 78 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1n12 h SER 78 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1n12 h SER 78 CO 0.78 0.00 -0.12 -1.54 -0.87 0.00 0.00 176.83 175.09 1n12 n SER 79 N -3.45 1.82 -4.03 4.97 3.41 -1.26 -4.84 113.62 110.23 1n12 n SER 79 Ca 0.03 -1.49 -0.18 0.00 -0.26 0.00 0.00 58.87 56.97 1n12 n SER 79 Cb 0.47 0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1n12 n SER 79 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1n12 n ASP 80 N 0.25 2.13 0.00 4.04 8.00 -0.08 -5.00 116.55 125.88 1n12 n ASP 80 Ca 0.15 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.34 1n12 n ASP 80 Cb 0.43 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1n12 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n12 n GLY 81 N 0.23 0.97 3.76 0.44 0.00 -0.94 -4.43 105.19 105.22 1n12 n GLY 81 Ca 0.01 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 1n12 n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n12 s LEU 82 N 0.00 3.92 -0.02 0.99 2.96 -1.26 0.29 118.68 125.56 1n12 s LEU 82 Ca 0.00 2.43 0.06 0.00 -0.22 0.00 0.00 54.13 56.40 1n12 s LEU 82 Cb 0.00 -4.31 -0.01 0.00 0.50 0.00 0.00 46.19 42.37 1n12 s LEU 82 CO 0.00 -1.18 -0.19 -0.76 -1.32 0.00 0.00 176.35 172.90 1n12 s LEU 83 N -3.31 2.03 -0.24 -0.68 1.43 0.73 -1.15 118.68 117.49 1n12 s LEU 83 Ca 0.68 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1n12 s LEU 83 Cb -0.32 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 44.95 1n12 s LEU 83 CO 0.38 0.23 -0.06 -0.69 0.23 0.00 0.00 176.35 176.43 1n12 s VAL 84 N -0.42 2.95 -0.16 -1.59 1.01 0.00 -0.13 120.40 122.07 1n12 s VAL 84 Ca 0.07 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 1n12 s VAL 84 Cb -0.08 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1n12 s VAL 84 CO -0.01 0.26 0.12 -0.31 0.00 0.00 0.00 175.10 175.16 1n12 s TYR 85 N 1.36 3.48 0.05 5.22 1.51 0.02 -1.03 117.35 127.96 1n12 s TYR 85 Ca 0.02 0.40 0.04 0.00 -1.01 0.00 0.00 57.07 56.51 1n12 s TYR 85 Cb -0.16 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1n12 s TYR 85 CO -0.05 0.50 -0.03 -0.51 -1.11 0.00 0.00 175.55 174.35 1n12 s LEU 86 N -0.34 3.33 0.02 -1.29 1.43 -1.26 -0.95 118.68 119.62 1n12 s LEU 86 Ca 0.11 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1n12 s LEU 86 Cb -0.12 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1n12 s LEU 86 CO 0.01 0.23 -0.05 -0.31 0.23 0.00 0.00 176.35 176.46 1n12 s TYR 87 N -1.16 0.40 1.01 0.29 1.51 0.86 -0.65 117.35 119.61 1n12 s TYR 87 Ca 0.21 -0.44 -0.14 0.00 -1.01 0.00 0.00 57.07 55.69 1n12 s TYR 87 Cb -0.11 -0.26 0.20 0.00 -0.11 0.00 0.00 41.96 41.67 1n12 s TYR 87 CO 0.13 -0.12 1.14 1.21 -1.11 0.00 0.00 175.55 176.79 1n12 s ASN 88 N -1.28 2.58 0.05 2.29 3.84 -0.10 -1.29 114.94 121.03 1n12 s ASN 88 Ca -0.11 0.87 0.09 0.00 0.21 0.00 0.00 52.86 53.91 1n12 s ASN 88 Cb -0.09 -1.33 -0.03 0.00 -0.55 0.00 0.00 41.25 39.25 1n12 s ASN 88 CO -0.00 -3.12 -0.25 -0.55 -2.79 0.00 0.00 177.10 170.38 1n12 s SER 89 N -3.93 2.99 -0.45 -4.21 0.15 -1.25 -0.32 113.70 106.69 1n12 s SER 89 Ca 0.67 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.76 1n12 s SER 89 Cb -0.14 -0.26 0.13 0.00 -1.71 0.00 0.00 66.02 64.04 1n12 s SER 89 CO 0.55 0.23 0.22 0.21 1.20 0.00 0.00 173.24 175.64 1n12 s ASN 90 N -1.28 4.00 -1.35 5.45 3.04 0.20 -2.96 114.94 122.04 1n12 s ASN 90 Ca 0.11 -2.63 -0.03 0.00 0.04 0.00 0.00 52.86 50.35 1n12 s ASN 90 Cb -0.10 -1.27 0.02 0.00 -1.54 0.00 0.00 41.25 38.36 1n12 s ASN 90 CO 0.02 -0.28 0.79 0.00 -3.04 0.00 0.00 177.10 174.59 1n12 n ALA 91 N 3.57 -1.84 0.00 1.71 0.00 -1.26 -1.36 120.51 121.34 1n12 n ALA 91 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1n12 n ALA 91 Cb 0.35 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.18 1n12 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n12 n GLY 92 N -1.60 2.06 3.78 0.00 0.00 -1.26 -5.02 105.19 103.15 1n12 n GLY 92 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1n12 n GLY 92 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n12 s ASN 93 N -3.32 5.74 0.31 1.61 0.01 -0.47 -5.06 114.94 113.77 1n12 s ASN 93 Ca 0.00 0.22 -0.29 0.00 -0.71 0.00 0.00 52.86 52.08 1n12 s ASN 93 Cb 0.00 -1.70 -0.12 0.00 0.41 0.00 0.00 41.25 39.84 1n12 s ASN 93 CO 0.00 0.32 1.37 0.00 -1.51 0.00 0.00 177.10 177.28 1n12 n ILE 94 N 1.56 1.62 -2.05 0.60 3.06 -1.26 0.58 119.36 123.46 1n12 n ILE 94 Ca -0.16 -0.40 0.00 0.00 -2.50 0.00 0.00 62.75 59.69 1n12 n ILE 94 Cb 0.53 -1.61 0.00 0.00 0.54 0.00 0.00 39.64 39.10 1n12 n ILE 94 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1n12 n GLY 95 N 1.26 4.84 3.77 4.50 0.00 0.57 -4.59 105.19 115.53 1n12 n GLY 95 Ca 0.07 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 1n12 n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n12 s THR 96 N 1.95 2.73 0.63 2.61 -4.23 -1.26 -4.44 115.64 113.62 1n12 s THR 96 Ca 0.00 0.65 -0.18 0.00 -1.18 0.00 0.00 61.69 60.98 1n12 s THR 96 Cb 0.00 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 1n12 s THR 96 CO 0.00 0.10 1.17 0.00 -0.54 0.00 0.00 174.62 175.34 1n12 n ALA 97 N 0.18 0.78 -2.73 3.99 0.00 -1.26 -0.93 120.51 120.55 1n12 n ALA 97 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 1n12 n ALA 97 Cb 0.44 -2.24 -0.07 0.00 0.00 0.00 0.00 19.45 17.58 1n12 n ALA 97 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1n12 s ILE 98 N -1.43 5.30 -0.22 0.00 1.01 0.17 -4.74 121.20 121.28 1n12 s ILE 98 Ca 0.80 0.59 -0.19 0.00 0.00 0.00 0.00 60.65 61.84 1n12 s ILE 98 Cb -0.39 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1n12 s ILE 98 CO 0.43 0.38 0.56 -0.89 0.00 0.00 0.00 174.94 175.42 1n12 s THR 99 N 0.50 5.06 0.37 2.92 2.01 -1.26 -4.74 115.64 120.50 1n12 s THR 99 Ca 0.17 1.02 -0.28 0.00 0.31 0.00 0.00 61.69 62.92 1n12 s THR 99 Cb -0.13 -3.88 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 1n12 s THR 99 CO 0.04 0.12 1.42 -0.76 -0.69 0.00 0.00 174.62 174.76 1n12 s LEU 100 N 1.97 4.33 0.00 4.42 1.43 -1.26 -2.61 118.68 126.95 1n12 s LEU 100 Ca 0.25 2.92 0.00 0.00 -1.03 0.00 0.00 54.13 56.27 1n12 s LEU 100 Cb -0.16 -3.70 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1n12 s LEU 100 CO 0.09 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 176.48 1n12 n GLY 101 N 0.57 1.38 3.42 -3.19 0.00 0.38 -5.00 105.19 102.76 1n12 n GLY 101 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1n12 n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n12 s THR 102 N -3.48 2.48 0.34 2.61 -4.23 -1.07 -4.94 115.64 107.35 1n12 s THR 102 Ca 0.00 -1.55 -0.27 0.00 -1.18 0.00 0.00 61.69 58.69 1n12 s THR 102 Cb 0.00 -2.09 -0.09 0.00 1.34 0.00 0.00 72.50 71.66 1n12 s THR 102 CO 0.00 0.17 1.07 -2.16 -0.54 0.00 0.00 174.62 173.16 1n12 s PRO 103 N -1.88 4.39 0.03 3.99 0.04 -1.26 -4.51 135.00 135.80 1n12 s PRO 103 Ca 0.15 1.65 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 1n12 s PRO 103 Cb -0.10 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 1n12 s PRO 103 CO 0.07 0.02 0.10 -0.59 0.04 0.00 0.00 177.00 176.63 1n12 s PHE 104 N -1.42 0.18 -0.27 0.56 -0.12 -0.38 -4.92 117.98 111.62 1n12 s PHE 104 Ca 0.51 -0.45 -0.10 0.00 -0.05 0.00 0.00 56.93 56.85 1n12 s PHE 104 Cb -0.27 -0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 1n12 s PHE 104 CO 0.34 -0.34 0.16 0.99 -0.05 0.00 0.00 175.22 176.31 1n12 s THR 105 N -2.35 5.07 0.28 -4.49 2.01 -1.26 -0.22 115.64 114.68 1n12 s THR 105 Ca -0.07 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 1n12 s THR 105 Cb -0.03 -3.40 -0.13 0.00 0.01 0.00 0.00 72.50 68.96 1n12 s THR 105 CO -0.03 0.29 1.41 -2.65 -0.69 0.00 0.00 174.62 172.94 1n12 n PRO 106 N 4.90 2.19 0.10 4.92 -0.02 -1.26 -4.89 135.00 140.95 1n12 n PRO 106 Ca -0.15 0.78 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 1n12 n PRO 106 Cb 0.52 -2.43 0.23 0.00 -0.02 0.00 0.00 33.50 31.80 1n12 n PRO 106 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1n12 h GLY 107 N 3.77 0.00 -7.34 -1.23 0.00 -1.84 -3.42 103.07 93.02 1n12 h GLY 107 Ca -0.46 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.29 1n12 h GLY 107 CO 0.72 0.00 -0.76 1.25 0.00 0.00 0.00 176.54 177.75 1n12 s LYS 108 N -3.17 0.98 -0.06 4.80 2.20 -1.22 -4.30 119.74 118.96 1n12 s LYS 108 Ca 0.07 -1.02 0.04 0.00 -0.36 0.00 0.00 55.97 54.70 1n12 s LYS 108 Cb 0.11 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 34.17 1n12 s LYS 108 CO 0.68 -0.83 -0.18 0.42 -0.36 0.00 0.00 175.35 175.08 1n12 s ILE 109 N 1.54 1.53 0.17 5.43 1.01 -1.26 -1.94 121.20 127.68 1n12 s ILE 109 Ca 0.05 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.03 1n12 s ILE 109 Cb -0.18 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 1n12 s ILE 109 CO -0.16 0.44 -0.16 0.42 0.00 0.00 0.00 174.94 175.48 1n12 s THR 110 N 0.26 1.71 0.00 2.92 -4.23 0.46 -4.96 115.64 111.79 1n12 s THR 110 Ca -0.10 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1n12 s THR 110 Cb -0.14 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.86 1n12 s THR 110 CO 0.04 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1n12 n GLY 111 N 0.15 1.92 0.01 3.99 0.00 -1.26 -1.17 105.19 108.83 1n12 n GLY 111 Ca -0.12 -0.99 0.13 0.00 0.00 0.00 0.00 46.02 45.04 1n12 n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n12 n ASN 112 N 0.00 0.20 -0.80 1.61 5.03 -1.26 -4.80 115.26 115.24 1n12 n ASN 112 Ca 0.00 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.61 1n12 n ASN 112 Cb 0.00 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.54 1n12 n ASN 112 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1n12 n ASN 113 N -1.45 0.92 0.31 6.41 4.13 -1.26 -4.99 115.26 119.33 1n12 n ASN 113 Ca 0.07 -0.40 0.20 0.00 1.68 0.00 0.00 54.58 56.13 1n12 n ASN 113 Cb 0.33 0.00 1.01 0.00 -1.54 0.00 0.00 39.78 39.58 1n12 n ASN 113 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1n12 h ALA 114 N 0.25 1.04 -1.72 5.41 0.00 -1.90 -3.39 119.26 118.94 1n12 h ALA 114 Ca 0.00 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 1n12 h ALA 114 Cb 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 1n12 h ALA 114 CO 0.00 0.01 0.78 -0.51 0.00 0.00 0.00 179.25 179.54 1n12 s ASP 115 N -5.43 6.44 0.09 0.00 1.01 -1.26 -0.89 116.67 116.64 1n12 s ASP 115 Ca -0.03 0.01 0.06 0.00 0.71 0.00 0.00 52.55 53.31 1n12 s ASP 115 Cb 0.12 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 1n12 s ASP 115 CO 0.47 -1.31 -0.08 -0.54 0.21 0.00 0.00 175.17 173.92 1n12 s LYS 116 N 4.40 2.25 -0.04 8.23 -0.14 -1.26 -4.39 119.74 128.80 1n12 s LYS 116 Ca 0.39 -0.96 0.01 0.00 -1.36 0.00 0.00 55.97 54.04 1n12 s LYS 116 Cb -0.09 -2.37 0.02 0.00 -1.68 0.00 0.00 37.83 33.71 1n12 s LYS 116 CO 0.24 0.52 -0.03 0.99 -0.76 0.00 0.00 175.35 176.32 1n12 s THR 117 N -1.22 0.41 0.16 2.17 2.01 -0.32 -4.40 115.64 114.46 1n12 s THR 117 Ca 0.22 -0.04 0.10 0.00 0.31 0.00 0.00 61.69 62.28 1n12 s THR 117 Cb -0.11 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1n12 s THR 117 CO 0.14 0.21 -0.18 0.27 -0.69 0.00 0.00 174.62 174.37 1n12 s ILE 118 N 1.06 2.75 -0.08 1.82 -4.36 -0.30 -0.40 121.20 121.68 1n12 s ILE 118 Ca -0.09 -1.74 0.02 0.00 -0.26 0.00 0.00 60.65 58.58 1n12 s ILE 118 Cb -0.14 -2.31 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 1n12 s ILE 118 CO -0.01 -0.03 -0.12 -0.44 0.24 0.00 0.00 174.94 174.58 1n12 s SER 119 N -2.51 4.18 0.24 4.36 0.01 -0.82 -1.38 113.70 117.79 1n12 s SER 119 Ca 0.21 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.28 1n12 s SER 119 Cb -0.09 -1.19 -0.05 0.00 0.21 0.00 0.00 66.02 64.90 1n12 s SER 119 CO 0.11 0.29 0.09 -0.76 0.41 0.00 0.00 173.24 173.37 1n12 s LEU 120 N -0.36 1.65 0.09 2.44 1.43 -0.11 -3.88 118.68 119.94 1n12 s LEU 120 Ca 0.04 -1.35 0.06 0.00 -1.03 0.00 0.00 54.13 51.85 1n12 s LEU 120 Cb -0.12 0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 1n12 s LEU 120 CO 0.02 -0.72 -0.17 -1.00 0.23 0.00 0.00 176.35 174.71 1n12 s HIS 121 N -3.78 1.47 0.01 0.29 3.76 -0.41 -0.97 115.29 115.67 1n12 s HIS 121 Ca 0.36 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 1n12 s HIS 121 Cb 0.07 -0.81 -0.01 0.00 1.11 0.00 0.00 32.58 32.94 1n12 s HIS 121 CO 0.12 0.13 -0.03 0.00 -0.85 0.00 0.00 174.74 174.10 1n12 s ALA 122 N -1.26 0.20 0.12 -1.40 0.00 0.05 -0.10 121.76 119.37 1n12 s ALA 122 Ca 0.02 -0.39 0.06 0.00 0.00 0.00 0.00 51.96 51.65 1n12 s ALA 122 Cb -0.10 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1n12 s ALA 122 CO 0.03 -0.05 -0.15 0.15 0.00 0.00 0.00 175.76 175.74 1n12 s LYS 123 N -0.86 1.03 -0.14 0.00 1.02 -0.12 -0.15 119.74 120.52 1n12 s LYS 123 Ca -0.08 -1.22 -0.04 0.00 0.02 0.00 0.00 55.97 54.65 1n12 s LYS 123 Cb -0.06 -0.95 -0.03 0.00 -0.52 0.00 0.00 37.83 36.27 1n12 s LYS 123 CO -0.00 0.19 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.09 1n12 s LEU 124 N -2.38 3.38 0.00 3.17 1.43 0.31 -0.80 118.68 123.79 1n12 s LEU 124 Ca 0.08 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1n12 s LEU 124 Cb -0.06 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1n12 s LEU 124 CO 0.03 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1n12 n GLY 125 N 3.23 5.02 3.46 -3.19 0.00 0.82 -0.47 105.19 114.05 1n12 n GLY 125 Ca -0.17 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 1n12 n GLY 125 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1n12 s TYR 126 N -1.13 -0.57 -0.03 1.61 -0.85 -1.18 -0.19 117.35 115.00 1n12 s TYR 126 Ca 0.00 0.64 0.01 0.00 -0.52 0.00 0.00 57.07 57.21 1n12 s TYR 126 Cb 0.00 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 1n12 s TYR 126 CO 0.00 -0.74 -0.04 0.21 -1.52 0.00 0.00 175.55 173.46 1n12 s LYS 127 N -2.67 2.74 0.92 -3.49 2.20 0.15 -4.81 119.74 114.77 1n12 s LYS 127 Ca -0.04 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 1n12 s LYS 127 Cb -0.01 -2.61 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1n12 s LYS 127 CO -0.03 0.64 0.00 0.41 -0.36 0.00 0.00 175.35 176.01 1n12 n GLY 128 N 1.83 -1.89 0.00 5.54 0.00 -1.26 -2.22 105.19 107.19 1n12 n GLY 128 Ca -0.17 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1n12 n GLY 128 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n12 n ASN 129 N 0.54 0.00 0.00 1.61 3.02 -1.26 -5.00 115.26 114.16 1n12 n ASN 129 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1n12 n ASN 129 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1n12 n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n12 n GLN 131 N 0.00 0.00 0.00 3.52 1.13 -1.26 -3.69 117.38 117.08 1n12 n GLN 131 Ca 0.00 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.19 1n12 n GLN 131 Cb 0.00 0.00 0.35 0.00 0.11 0.00 0.00 30.24 30.70 1n12 n GLN 131 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1n12 n ASN 132 N 0.00 1.10 -4.77 1.08 5.03 -1.26 -4.92 115.26 111.53 1n12 n ASN 132 Ca 0.00 -0.94 -0.40 0.00 0.87 0.00 0.00 54.58 54.11 1n12 n ASN 132 Cb 0.00 0.16 -0.02 0.00 -1.02 0.00 0.00 39.78 38.90 1n12 n ASN 132 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1n12 s LEU 133 N -2.50 4.35 -0.22 3.41 1.43 -1.24 -0.46 118.68 123.45 1n12 s LEU 133 Ca 0.24 2.51 -0.09 0.00 -1.03 0.00 0.00 54.13 55.76 1n12 s LEU 133 Cb 0.19 -3.78 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 1n12 s LEU 133 CO 0.52 -0.55 0.12 -0.63 0.23 0.00 0.00 176.35 176.05 1n12 s ILE 134 N -1.24 5.11 0.66 -0.59 1.01 0.55 -4.88 121.20 121.82 1n12 s ILE 134 Ca 0.51 0.09 -0.13 0.00 0.00 0.00 0.00 60.65 61.13 1n12 s ILE 134 Cb -0.36 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 1n12 s ILE 134 CO 0.46 0.38 1.06 0.00 0.00 0.00 0.00 174.94 176.84 1n12 s ALA 135 N 0.89 2.68 0.00 9.38 0.00 -1.26 -4.84 121.76 128.60 1n12 s ALA 135 Ca 0.06 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1n12 s ALA 135 Cb -0.13 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1n12 s ALA 135 CO 0.03 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.10 1n12 n GLY 136 N -1.54 2.69 3.69 0.00 0.00 -1.26 -5.06 105.19 103.71 1n12 n GLY 136 Ca 0.08 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1n12 n GLY 136 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n12 n PRO 137 N -1.09 2.06 -4.15 1.61 -0.02 -1.26 -5.02 135.00 127.14 1n12 n PRO 137 Ca 0.00 0.72 -0.13 0.00 -2.02 0.00 0.00 63.50 62.07 1n12 n PRO 137 Cb 0.00 -2.29 -0.11 0.00 -0.02 0.00 0.00 33.50 31.08 1n12 n PRO 137 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1n12 s PHE 138 N -1.10 0.93 -0.07 6.00 -0.12 -1.26 -5.07 117.98 117.29 1n12 s PHE 138 Ca 0.56 -0.67 -0.18 0.00 -0.05 0.00 0.00 56.93 56.59 1n12 s PHE 138 Cb -0.57 -0.53 0.04 0.00 -0.63 0.00 0.00 43.02 41.33 1n12 s PHE 138 CO 0.62 -0.05 0.43 0.45 -0.05 0.00 0.00 175.22 176.61 1n12 s SER 139 N -2.35 -0.37 0.19 1.98 0.15 -1.26 -5.12 113.70 106.91 1n12 s SER 139 Ca 0.03 0.48 -0.15 0.00 0.70 0.00 0.00 55.95 57.00 1n12 s SER 139 Cb -0.03 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 64.85 1n12 s SER 139 CO -0.01 -0.38 0.47 0.00 1.20 0.00 0.00 173.24 174.51 1n12 s ALA 140 N -0.79 -0.70 0.05 5.45 0.00 -1.26 -4.50 121.76 120.00 1n12 s ALA 140 Ca -0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1n12 s ALA 140 Cb -0.04 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 1n12 s ALA 140 CO 0.04 -0.77 0.08 -0.08 0.00 0.00 0.00 175.76 175.03 1n12 s THR 141 N -3.90 0.15 0.03 0.00 -1.32 -1.26 -5.08 115.64 104.26 1n12 s THR 141 Ca 0.11 -1.24 -0.02 0.00 -1.21 0.00 0.00 61.69 59.34 1n12 s THR 141 Cb -0.00 -1.06 -0.02 0.00 -1.51 0.00 0.00 72.50 69.91 1n12 s THR 141 CO -0.02 -0.68 0.00 0.00 -2.21 0.00 0.00 174.62 171.71 1n12 s ALA 142 N -3.00 0.12 -0.13 11.08 0.00 -1.26 -4.64 121.76 123.92 1n12 s ALA 142 Ca -0.02 -0.65 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 1n12 s ALA 142 Cb 0.01 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1n12 s ALA 142 CO -0.06 -0.22 0.15 0.99 0.00 0.00 0.00 175.76 176.61 1n12 s THR 143 N -2.04 5.47 -0.11 0.00 2.01 0.99 -4.94 115.64 117.02 1n12 s THR 143 Ca -0.10 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1n12 s THR 143 Cb -0.05 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1n12 s THR 143 CO -0.03 0.59 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.15 1n12 s LEU 144 N -0.78 1.52 0.11 4.42 0.20 -1.26 -1.05 118.68 121.83 1n12 s LEU 144 Ca 0.14 -0.37 0.10 0.00 0.69 0.00 0.00 54.13 54.69 1n12 s LEU 144 Cb -0.12 -0.96 -0.04 0.00 -0.43 0.00 0.00 46.19 44.64 1n12 s LEU 144 CO 0.03 -0.04 -0.24 0.68 -0.29 0.00 0.00 176.35 176.50 1n12 s VAL 145 N 1.24 2.43 -0.11 1.68 -7.23 -0.48 -4.87 120.40 113.06 1n12 s VAL 145 Ca -0.02 -1.60 -0.12 0.00 -1.81 0.00 0.00 61.98 58.43 1n12 s VAL 145 Cb -0.14 -2.06 0.03 0.00 0.56 0.00 0.00 36.38 34.77 1n12 s VAL 145 CO -0.04 0.15 0.33 0.00 -0.31 0.00 0.00 175.10 175.23 1n12 s ALA 146 N -1.03 -0.81 0.02 1.32 0.00 -1.26 -1.22 121.76 118.77 1n12 s ALA 146 Ca 0.15 0.87 -0.27 0.00 0.00 0.00 0.00 51.96 52.71 1n12 s ALA 146 Cb -0.10 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.60 1n12 s ALA 146 CO 0.06 -0.17 0.62 -1.54 0.00 0.00 0.00 175.76 174.73 1n12 s SER 147 N 0.03 -0.58 0.24 0.00 1.04 -0.85 -0.12 113.70 113.47 1n12 s SER 147 Ca -0.01 0.41 -0.04 0.00 0.48 0.00 0.00 55.95 56.79 1n12 s SER 147 Cb -0.03 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 1n12 s SER 147 CO 0.01 -0.72 0.48 -0.31 0.98 0.00 0.00 173.24 173.68 1n12 s TYR 148 N -2.08 3.48 0.00 5.02 1.51 -1.26 -0.93 117.35 123.08 1n12 s TYR 148 Ca -0.07 0.54 0.00 0.00 -1.01 0.00 0.00 57.07 56.53 1n12 s TYR 148 Cb -0.01 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 1n12 s TYR 148 CO 0.02 0.27 0.00 -1.13 -1.11 0.00 0.00 175.55 173.60