#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nik n ASN 3 N 0.00 -0.18 -3.81 4.04 3.02 -1.26 -5.11 115.26 111.95 1nik n ASN 3 Ca 0.00 -1.44 -0.12 0.00 -0.03 0.00 0.00 54.58 52.99 1nik n ASN 3 Cb 0.00 0.39 -0.12 0.00 -0.61 0.00 0.00 39.78 39.45 1nik n ASN 3 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nik s THR 4 N -2.34 0.02 0.00 3.41 2.01 -1.26 -4.32 115.64 113.16 1nik s THR 4 Ca 0.08 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1nik s THR 4 Cb 0.00 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.19 1nik s THR 4 CO 0.05 -0.07 0.20 0.18 -0.69 0.00 0.00 174.62 174.30 1nik n LEU 5 N 2.66 0.40 -3.58 4.42 4.77 -1.26 -4.79 117.00 119.62 1nik n LEU 5 Ca -0.15 -0.58 0.02 0.00 -0.03 0.00 0.00 56.01 55.28 1nik n LEU 5 Cb 0.58 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 1nik n LEU 5 CO 0.20 0.10 0.95 0.12 -1.33 0.00 0.00 177.39 177.43 1nik s PHE 6 N -0.34 -0.14 0.10 -1.77 5.36 -1.26 -4.23 117.98 115.69 1nik s PHE 6 Ca 0.00 0.27 0.07 0.00 -0.96 0.00 0.00 56.93 56.31 1nik s PHE 6 Cb 0.00 0.08 -0.03 0.00 -0.34 0.00 0.00 43.02 42.73 1nik s PHE 6 CO 0.00 -0.07 -0.17 0.34 -1.46 0.00 0.00 175.22 173.86 1nik s ASP 7 N 1.24 2.17 0.00 6.13 -1.08 -1.26 -1.74 116.67 122.13 1nik s ASP 7 Ca -0.07 -0.70 0.00 0.00 -0.52 0.00 0.00 52.55 51.26 1nik s ASP 7 Cb -0.02 -0.10 0.00 0.00 -1.46 0.00 0.00 42.92 41.34 1nik s ASP 7 CO -0.11 -0.03 0.00 -0.67 0.52 0.00 0.00 175.17 174.88 1nik n ASP 8 N 0.98 0.00 -4.77 -0.34 2.03 -1.00 -4.99 116.55 108.46 1nik n ASP 8 Ca -0.19 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.73 1nik n ASP 8 Cb 0.55 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.89 1nik n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1nik s ILE 9 N -0.21 4.66 0.12 5.18 1.01 -1.26 -1.04 121.20 129.67 1nik s ILE 9 Ca 0.00 1.51 0.10 0.00 0.00 0.00 0.00 60.65 62.26 1nik s ILE 9 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1nik s ILE 9 CO 0.00 0.45 -0.26 -0.36 0.00 0.00 0.00 174.94 174.77 1nik s PHE 10 N -0.56 2.22 -0.26 3.97 0.40 0.52 -2.37 117.98 121.90 1nik s PHE 10 Ca 0.35 -0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 56.24 1nik s PHE 10 Cb -0.21 -1.21 0.00 0.00 0.51 0.00 0.00 43.02 42.12 1nik s PHE 10 CO 0.22 0.31 0.00 -1.14 0.70 0.00 0.00 175.22 175.31 1nik s GLN 11 N -1.99 3.17 -0.27 0.44 2.00 0.21 0.41 119.66 123.62 1nik s GLN 11 Ca 0.13 -0.78 -0.29 0.00 -2.00 0.00 0.00 55.36 52.42 1nik s GLN 11 Cb -0.10 -3.16 -0.01 0.00 0.80 0.00 0.00 33.01 30.55 1nik s GLN 11 CO 0.05 -0.33 1.37 0.08 -0.50 0.00 0.00 175.29 175.96 1nik s VAL 12 N 1.46 4.05 -0.09 1.34 1.01 -0.81 0.37 120.40 127.73 1nik s VAL 12 Ca 0.03 1.19 -0.05 0.00 0.00 0.00 0.00 61.98 63.15 1nik s VAL 12 Cb -0.16 -4.04 -0.27 0.00 0.00 0.00 0.00 36.38 31.91 1nik s VAL 12 CO -0.01 -0.41 0.49 0.77 0.00 0.00 0.00 175.10 175.94 1nik h SER 13 N 9.53 0.40 -4.99 3.32 4.64 -1.61 -0.11 113.55 124.73 1nik h SER 13 Ca -0.28 -0.81 -0.16 0.00 -0.47 0.00 0.00 61.79 60.07 1nik h SER 13 Cb 1.11 -0.13 -0.21 0.00 -0.31 0.00 0.00 62.40 62.86 1nik h SER 13 CO 1.02 1.72 -0.65 -0.70 -0.87 0.00 0.00 176.83 177.35 1nik s GLU 14 N -2.57 0.36 -0.21 4.77 2.12 -0.92 -4.69 118.70 117.56 1nik s GLU 14 Ca -0.18 -0.58 -0.02 0.00 0.36 0.00 0.00 54.97 54.55 1nik s GLU 14 Cb 0.07 0.13 0.06 0.00 0.26 0.00 0.00 34.13 34.65 1nik s GLU 14 CO 0.80 -0.07 0.02 0.08 -0.54 0.00 0.00 175.26 175.55 1nik s VAL 15 N -1.51 0.74 -0.24 3.70 1.01 -1.26 -2.38 120.40 120.45 1nik s VAL 15 Ca -0.15 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1nik s VAL 15 Cb -0.09 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1nik s VAL 15 CO -0.01 -0.21 0.00 -0.62 0.00 0.00 0.00 175.10 174.26 1nik s ASP 16 N 1.75 4.62 -0.93 3.32 2.15 -0.94 -4.93 116.67 121.71 1nik s ASP 16 Ca -0.01 -0.46 -0.01 0.00 0.43 0.00 0.00 52.55 52.49 1nik s ASP 16 Cb -0.17 -1.79 0.28 0.00 -0.30 0.00 0.00 42.92 40.93 1nik s ASP 16 CO -0.08 -0.07 1.19 -0.81 -0.17 0.00 0.00 175.17 175.23 1nik n PRO 17 N 4.82 3.70 -2.15 4.34 -0.04 -1.26 0.17 135.00 144.59 1nik n PRO 17 Ca -0.17 -4.59 -0.30 0.00 -0.04 0.00 0.00 63.50 58.41 1nik n PRO 17 Cb 0.50 -2.42 -0.05 0.00 -0.04 0.00 0.00 33.50 31.49 1nik n PRO 17 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1nik s GLY 18 N -1.79 0.40 -1.39 0.55 0.00 -1.26 -4.01 107.32 99.81 1nik s GLY 18 Ca 0.34 -1.73 -0.09 0.00 0.00 0.00 0.00 44.72 43.23 1nik s GLY 18 CO 0.05 3.34 1.09 0.54 0.00 0.00 0.00 173.10 178.12 1nik n ARG 19 N 8.79 -7.03 -3.91 2.90 5.12 -1.26 -5.01 116.66 116.26 1nik n ARG 19 Ca 0.40 0.76 -0.11 0.00 -1.93 0.00 0.00 57.85 56.96 1nik n ARG 19 Cb 0.48 -5.74 -0.13 0.00 -1.16 0.00 0.00 32.46 25.91 1nik n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1nik s TYR 20 N -3.33 0.09 -0.60 -1.55 1.51 -1.26 -5.07 117.35 107.14 1nik s TYR 20 Ca 0.53 -0.18 0.10 0.00 -1.01 0.00 0.00 57.07 56.51 1nik s TYR 20 Cb -0.25 -0.07 -0.07 0.00 -0.11 0.00 0.00 41.96 41.46 1nik s TYR 20 CO 0.76 -0.09 0.48 0.09 -1.11 0.00 0.00 175.55 175.68 1nik n ASN 21 N 2.45 0.68 0.00 2.29 3.02 -1.26 -4.52 115.26 117.92 1nik n ASN 21 Ca -0.17 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1nik n ASN 21 Cb 0.58 0.84 0.00 0.00 -0.61 0.00 0.00 39.78 40.59 1nik n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1nik n LYS 22 N -0.94 1.97 -3.87 3.52 5.02 -1.26 -4.78 118.16 117.82 1nik n LYS 22 Ca 0.03 -1.17 -0.12 0.00 -2.02 0.00 0.00 58.31 55.03 1nik n LYS 22 Cb 0.17 -0.88 -0.12 0.00 -0.02 0.00 0.00 35.03 34.18 1nik n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1nik s VAL 23 N -0.68 0.03 0.01 -0.18 1.01 -1.26 -2.88 120.40 116.45 1nik s VAL 23 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1nik s VAL 23 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 1nik s VAL 23 CO 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 175.10 174.93 1nik s ARG 25 N -0.55 3.09 0.05 0.00 3.52 0.13 -1.30 118.95 123.90 1nik s ARG 25 Ca -0.04 -0.85 -0.15 0.00 -0.13 0.00 0.00 55.73 54.56 1nik s ARG 25 Cb -0.04 -3.95 -0.06 0.00 -1.56 0.00 0.00 34.95 29.33 1nik s ARG 25 CO -0.00 -0.76 0.48 0.42 -0.81 0.00 0.00 175.30 174.62 1nik s ILE 26 N 1.90 4.93 -0.25 4.11 1.01 0.24 -2.22 121.20 130.91 1nik s ILE 26 Ca 0.08 0.91 -0.02 0.00 0.00 0.00 0.00 60.65 61.62 1nik s ILE 26 Cb -0.18 -3.76 0.08 0.00 0.01 0.00 0.00 42.46 38.61 1nik s ILE 26 CO 0.12 0.49 0.08 -0.70 0.00 0.00 0.00 174.94 174.92 1nik s GLU 27 N -1.31 0.57 -0.00 2.79 2.12 -1.00 -0.03 118.70 121.83 1nik s GLU 27 Ca 0.28 -0.67 0.08 0.00 0.36 0.00 0.00 54.97 55.03 1nik s GLU 27 Cb -0.17 -1.87 -0.02 0.00 0.26 0.00 0.00 34.13 32.33 1nik s GLU 27 CO 0.16 -0.84 -0.26 0.00 -0.54 0.00 0.00 175.26 173.79 1nik s ALA 28 N 1.83 2.14 0.63 6.30 0.00 -1.05 -1.54 121.76 130.06 1nik s ALA 28 Ca 0.05 -1.14 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 1nik s ALA 28 Cb -0.17 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.47 1nik s ALA 28 CO -0.20 0.52 0.93 0.00 0.00 0.00 0.00 175.76 177.01 1nik s ALA 29 N -0.65 3.32 -0.12 0.00 0.00 0.16 -2.17 121.76 122.30 1nik s ALA 29 Ca 0.10 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1nik s ALA 29 Cb -0.10 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 1nik s ALA 29 CO -0.00 -1.01 0.24 0.45 0.00 0.00 0.00 175.76 175.43 1nik s SER 30 N -4.41 6.46 0.01 0.00 0.15 -0.96 0.65 113.70 115.59 1nik s SER 30 Ca 0.57 0.54 -0.24 0.00 0.70 0.00 0.00 55.95 57.52 1nik s SER 30 Cb -0.11 -2.14 -0.05 0.00 -1.71 0.00 0.00 66.02 62.01 1nik s SER 30 CO 0.44 0.26 0.73 -0.89 1.20 0.00 0.00 173.24 174.99 1nik s THR 31 N -0.37 4.84 0.00 6.45 2.01 -1.00 -4.46 115.64 123.11 1nik s THR 31 Ca 0.16 1.55 0.00 0.00 0.31 0.00 0.00 61.69 63.71 1nik s THR 31 Cb -0.13 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1nik s THR 31 CO 0.05 0.34 0.00 0.41 -0.69 0.00 0.00 174.62 174.73 1nik n THR 32 N 3.07 0.00 -3.01 -0.82 -1.04 -1.26 -4.71 114.28 106.50 1nik n THR 32 Ca -0.02 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 1nik n THR 32 Cb 0.51 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.96 1nik n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1nik s GLN 33 N 0.00 3.24 0.64 -2.82 -0.21 -1.26 -4.91 119.66 114.33 1nik s GLN 33 Ca 0.00 -0.54 0.31 0.00 0.02 0.00 0.00 55.36 55.15 1nik s GLN 33 Cb 0.00 -4.05 1.69 0.00 1.00 0.00 0.00 33.01 31.65 1nik s GLN 33 CO 0.00 -1.30 2.00 -0.44 -2.12 0.00 0.00 175.29 173.43 1nik h ASP 34 N 9.11 0.00 -0.62 5.90 3.32 -1.93 -1.85 116.42 130.35 1nik h ASP 34 Ca -0.27 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 1nik h ASP 34 Cb 1.09 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1nik h ASP 34 CO 1.01 0.00 0.27 1.56 -1.72 0.00 0.00 179.24 180.35 1nik h GLN 35 N 0.00 0.95 -6.22 3.56 4.20 -1.93 -3.44 115.11 112.23 1nik h GLN 35 Ca 0.06 -0.15 -0.56 0.00 0.06 0.00 0.00 58.65 58.06 1nik h GLN 35 Cb 0.66 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1nik h GLN 35 CO -0.00 0.77 0.40 0.00 -0.67 0.00 0.00 178.83 179.32 1nik s LYS 37 N 1.52 0.98 -0.00 0.00 1.02 -1.09 -2.27 119.74 119.88 1nik s LYS 37 Ca 0.46 -1.35 0.01 0.00 0.02 0.00 0.00 55.97 55.11 1nik s LYS 37 Cb -0.19 -0.57 -0.00 0.00 -0.52 0.00 0.00 37.83 36.55 1nik s LYS 37 CO 0.20 0.07 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.50 1nik s LEU 38 N -2.92 1.96 -0.11 3.17 2.96 -0.92 -2.50 118.68 120.32 1nik s LEU 38 Ca 0.13 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 1nik s LEU 38 Cb 0.01 -0.20 0.02 0.00 0.50 0.00 0.00 46.19 46.52 1nik s LEU 38 CO -0.00 0.04 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.07 1nik s THR 39 N -0.03 1.21 0.02 3.68 2.01 -0.86 -2.53 115.64 119.14 1nik s THR 39 Ca 0.01 -0.43 -0.08 0.00 0.31 0.00 0.00 61.69 61.50 1nik s THR 39 Cb -0.02 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.32 1nik s THR 39 CO -0.00 0.39 0.15 -0.22 -0.69 0.00 0.00 174.62 174.25 1nik s LEU 40 N 1.41 1.54 -0.24 4.42 2.96 0.96 -0.79 118.68 128.93 1nik s LEU 40 Ca 0.01 -0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1nik s LEU 40 Cb -0.13 0.74 -0.04 0.00 0.50 0.00 0.00 46.19 47.26 1nik s LEU 40 CO -0.06 -0.44 0.09 -1.81 -1.32 0.00 0.00 176.35 172.81 1nik s ASP 41 N -1.68 5.39 -0.01 3.68 1.01 0.52 0.82 116.67 126.40 1nik s ASP 41 Ca -0.11 -0.11 0.04 0.00 0.71 0.00 0.00 52.55 53.08 1nik s ASP 41 Cb -0.05 -1.97 -0.01 0.00 1.01 0.00 0.00 42.92 41.90 1nik s ASP 41 CO -0.01 0.01 -0.13 -0.63 0.21 0.00 0.00 175.17 174.62 1nik s ILE 42 N 1.38 1.06 -1.06 0.77 1.01 -0.42 -4.66 121.20 119.29 1nik s ILE 42 Ca 0.06 -0.57 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 1nik s ILE 42 Cb -0.15 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.46 1nik s ILE 42 CO 0.04 0.30 1.64 0.21 0.00 0.00 0.00 174.94 177.13 1nik s ASN 43 N -0.31 6.18 0.00 3.58 3.84 -1.26 -1.83 114.94 125.14 1nik s ASN 43 Ca 0.05 -1.49 0.00 0.00 0.21 0.00 0.00 52.86 51.63 1nik s ASN 43 Cb -0.05 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.08 1nik s ASN 43 CO -0.01 -1.81 0.80 0.52 -2.79 0.00 0.00 177.10 173.82 1nik n VAL 44 N 7.07 1.26 0.07 -5.21 0.31 -1.14 -0.40 118.33 120.28 1nik n VAL 44 Ca 0.38 0.34 -0.21 0.00 -0.01 0.00 0.00 64.34 64.84 1nik n VAL 44 Cb 0.49 -1.34 -0.15 0.00 -0.91 0.00 0.00 33.84 31.93 1nik n VAL 44 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1nik h GLU 45 N 0.00 0.36 0.00 5.55 4.81 -1.87 -3.18 114.58 120.25 1nik h GLU 45 Ca 0.00 -0.61 -0.13 0.00 -0.13 0.00 0.00 59.36 58.49 1nik h GLU 45 Cb 0.06 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1nik h GLU 45 CO 0.00 1.26 -1.50 1.28 -0.73 0.00 0.00 179.01 179.32 1nik n LEU 46 N -3.55 0.67 -3.31 1.64 4.77 -0.38 -4.70 117.00 112.14 1nik n LEU 46 Ca -0.23 0.28 -0.23 0.00 -0.03 0.00 0.00 56.01 55.81 1nik n LEU 46 Cb 1.07 0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 42.15 1nik n LEU 46 CO 0.51 0.09 -0.24 0.12 -1.33 0.00 0.00 177.39 176.55 1nik s PHE 47 N -3.05 0.48 1.05 -1.77 5.36 0.46 -5.03 117.98 115.48 1nik s PHE 47 Ca -0.04 -1.81 -0.16 0.00 -0.96 0.00 0.00 56.93 53.97 1nik s PHE 47 Cb 0.09 -0.67 0.08 0.00 -0.34 0.00 0.00 43.02 42.18 1nik s PHE 47 CO 0.82 -0.91 0.18 -2.30 -1.46 0.00 0.00 175.22 171.55 1nik n PRO 48 N 3.18 -1.03 -3.87 10.12 -0.02 -1.20 -4.17 135.00 138.01 1nik n PRO 48 Ca 0.24 -0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.34 1nik n PRO 48 Cb 0.47 -1.77 0.01 0.00 -0.02 0.00 0.00 33.50 32.20 1nik n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nik s VAL 49 N -2.31 0.00 0.00 -1.45 1.01 -1.26 -4.99 120.40 111.40 1nik s VAL 49 Ca 0.56 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1nik s VAL 49 Cb -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1nik s VAL 49 CO 0.67 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.77 1nik n ALA 50 N -0.54 0.00 -1.58 5.51 0.00 -1.26 -5.11 120.51 117.52 1nik n ALA 50 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 1nik n ALA 50 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1nik n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nik n ALA 51 N -3.00 1.48 -2.74 0.00 0.00 -1.26 -3.82 120.51 111.17 1nik n ALA 51 Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 53.44 52.93 1nik n ALA 51 Cb 0.00 -3.00 0.01 0.00 0.00 0.00 0.00 19.45 16.46 1nik n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1nik n GLN 52 N 8.82 -2.51 -4.36 0.00 6.02 -0.06 -5.04 117.38 120.26 1nik n GLN 52 Ca 0.33 2.19 -0.26 0.00 -0.01 0.00 0.00 57.00 59.24 1nik n GLN 52 Cb 0.47 -5.38 -0.10 0.00 1.02 0.00 0.00 30.24 26.25 1nik n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nik s ASP 53 N -2.28 3.93 -0.67 1.08 1.01 -1.25 -4.86 116.67 113.63 1nik s ASP 53 Ca 0.18 -0.73 -0.16 0.00 0.71 0.00 0.00 52.55 52.54 1nik s ASP 53 Cb -0.05 -0.53 0.15 0.00 1.01 0.00 0.00 42.92 43.51 1nik s ASP 53 CO 0.73 0.09 0.67 -0.94 0.21 0.00 0.00 175.17 175.93 1nik s SER 54 N -2.93 6.40 -0.18 0.27 1.04 -1.26 -1.91 113.70 115.12 1nik s SER 54 Ca 0.25 -2.03 -0.10 0.00 0.48 0.00 0.00 55.95 54.55 1nik s SER 54 Cb -0.08 -2.24 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 1nik s SER 54 CO 0.14 -0.83 0.15 -0.76 0.98 0.00 0.00 173.24 172.91 1nik s LEU 55 N 1.43 4.24 -0.22 2.42 1.43 0.16 -4.90 118.68 123.25 1nik s LEU 55 Ca 0.12 0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.38 1nik s LEU 55 Cb -0.21 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1nik s LEU 55 CO -0.01 0.21 0.28 -0.89 0.23 0.00 0.00 176.35 176.17 1nik s THR 56 N 0.13 5.28 0.16 5.49 2.01 -1.24 0.20 115.64 127.65 1nik s THR 56 Ca 0.10 0.45 0.08 0.00 0.31 0.00 0.00 61.69 62.63 1nik s THR 56 Cb -0.11 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1nik s THR 56 CO -0.00 0.29 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.42 1nik s VAL 57 N 1.22 3.19 -0.12 3.82 1.01 -0.20 -2.99 120.40 126.33 1nik s VAL 57 Ca 0.13 -1.56 -0.20 0.00 0.00 0.00 0.00 61.98 60.36 1nik s VAL 57 Cb -0.14 -2.55 0.05 0.00 0.00 0.00 0.00 36.38 33.74 1nik s VAL 57 CO 0.06 -0.04 0.50 -0.89 0.00 0.00 0.00 175.10 174.74 1nik s THR 58 N -1.53 0.01 0.00 3.92 2.01 0.08 -2.39 115.64 117.74 1nik s THR 58 Ca 0.23 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1nik s THR 58 Cb -0.09 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.66 1nik s THR 58 CO 0.14 -0.06 0.00 -0.38 -0.69 0.00 0.00 174.62 173.63 1nik n ILE 59 N 2.05 0.00 -4.32 1.82 5.41 -0.71 -0.16 119.36 123.45 1nik n ILE 59 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1nik n ILE 59 Cb 0.56 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 1nik n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nik n ALA 60 N -2.41 0.00 -2.65 -1.39 0.00 -1.26 -3.69 120.51 109.11 1nik n ALA 60 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1nik n ALA 60 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nik n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nik n SER 61 N -0.66 -1.07 0.00 0.00 3.41 -1.26 -3.81 113.62 110.23 1nik n SER 61 Ca 0.00 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 1nik n SER 61 Cb 0.00 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1nik n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nik n SER 62 N -0.32 0.00 -3.90 4.04 3.41 -1.26 -4.56 113.62 111.04 1nik n SER 62 Ca -0.26 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 57.97 1nik n SER 62 Cb 0.65 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.53 1nik n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1nik n LEU 63 N 0.00 3.33 0.00 1.04 4.77 -1.26 -5.01 117.00 119.87 1nik n LEU 63 Ca 0.00 -2.78 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 1nik n LEU 63 Cb 0.00 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 1nik n LEU 63 CO 0.00 -1.09 0.00 0.41 -1.33 0.00 0.00 177.39 175.38 1nik n THR 76 N 6.73 0.00 -1.72 -5.08 -1.04 -1.26 -4.71 114.28 107.20 1nik n THR 76 Ca 0.48 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1nik n THR 76 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1nik n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1nik n ARG 77 N -0.26 -4.86 -1.62 -2.82 1.74 -1.26 -4.83 116.66 102.75 1nik n ARG 77 Ca 0.00 3.55 -0.46 0.00 -0.77 0.00 0.00 57.85 60.16 1nik n ARG 77 Cb 0.00 -3.93 -0.03 0.00 -1.02 0.00 0.00 32.46 27.48 1nik n ARG 77 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1nik n SER 78 N -0.01 1.94 -4.76 0.55 3.41 -1.26 -4.90 113.62 108.58 1nik n SER 78 Ca 0.00 1.15 -0.39 0.00 -0.26 0.00 0.00 58.87 59.38 1nik n SER 78 Cb 0.00 -1.32 0.02 0.00 -0.26 0.00 0.00 64.21 62.64 1nik n SER 78 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1nik s TRP 79 N -0.36 2.56 0.32 7.33 -0.00 -1.26 -5.05 118.94 122.48 1nik s TRP 79 Ca 0.67 1.39 0.04 0.00 -0.00 0.00 0.00 56.10 58.21 1nik s TRP 79 Cb -0.73 -3.71 -0.06 0.00 -0.00 0.00 0.00 33.47 28.96 1nik s TRP 79 CO 0.53 -2.45 0.03 1.03 -0.00 0.00 0.00 176.95 176.10 1nik s ARG 80 N -2.61 1.65 0.00 5.86 0.52 -1.26 -5.16 118.95 117.95 1nik s ARG 80 Ca 0.64 -1.90 0.00 0.00 -0.52 0.00 0.00 55.73 53.95 1nik s ARG 80 Cb -0.38 -0.97 0.00 0.00 0.52 0.00 0.00 34.95 34.12 1nik s ARG 80 CO 0.47 -0.14 0.00 -0.35 0.02 0.00 0.00 175.30 175.31 1nik n PRO 81 N -0.68 0.00 0.00 3.54 -0.05 -1.26 -5.13 135.00 131.42 1nik n PRO 81 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.42 1nik n PRO 81 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.11 1nik n PRO 81 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 175.50 175.10 1nik n PRO 82 N -0.19 3.01 0.00 0.54 -0.04 -1.26 -4.46 135.00 132.60 1nik n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1nik n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1nik n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1nik n GLN 83 N 0.00 0.00 0.00 0.54 6.02 -1.26 -4.18 117.38 118.50 1nik n GLN 83 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 1nik n GLN 83 Cb 0.00 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.36 1nik n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nik n ALA 84 N 0.00 1.66 0.26 -1.58 0.00 -1.26 -1.54 120.51 118.05 1nik n ALA 84 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.45 1nik n ALA 84 Cb 0.00 -1.05 0.14 0.00 0.00 0.00 0.00 19.45 18.54 1nik n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nik n GLY 85 N -0.61 -0.57 0.36 0.00 0.00 -1.26 0.16 105.19 103.27 1nik n GLY 85 Ca 0.02 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1nik n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nik n ASP 86 N -1.37 1.48 0.00 1.61 -0.08 -0.59 -5.03 116.55 112.57 1nik n ASP 86 Ca 0.02 -2.78 0.00 0.00 -1.51 0.00 0.00 54.79 50.52 1nik n ASP 86 Cb 0.06 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.15 1nik n ASP 86 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1nik n ARG 87 N -0.84 2.27 -0.90 -0.67 1.74 0.43 -5.12 116.66 113.57 1nik n ARG 87 Ca 0.11 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.83 1nik n ARG 87 Cb 0.70 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.21 1nik n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1nik n SER 88 N 0.00 -3.56 -2.69 0.55 3.41 -1.25 -5.00 113.62 105.08 1nik n SER 88 Ca 0.00 0.06 -0.06 0.00 -0.26 0.00 0.00 58.87 58.62 1nik n SER 88 Cb 0.00 -0.76 0.07 0.00 -0.26 0.00 0.00 64.21 63.27 1nik n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1nik n LEU 89 N 1.79 -1.77 -1.81 1.04 4.77 -1.26 -4.80 117.00 114.95 1nik n LEU 89 Ca -0.00 -2.29 -0.03 0.00 -0.03 0.00 0.00 56.01 53.66 1nik n LEU 89 Cb 0.65 0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 42.40 1nik n LEU 89 CO 0.49 1.72 0.86 0.00 -1.33 0.00 0.00 177.39 179.12 1nik n ALA 90 N 1.38 3.66 -0.70 -1.18 0.00 -1.26 -3.90 120.51 118.51 1nik n ALA 90 Ca 0.03 -0.39 -0.16 0.00 0.00 0.00 0.00 53.44 52.93 1nik n ALA 90 Cb 0.69 -1.62 0.16 0.00 0.00 0.00 0.00 19.45 18.68 1nik n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nik n ASP 91 N 1.97 3.72 0.00 0.00 5.75 -1.26 -4.34 116.55 122.39 1nik n ASP 91 Ca 0.09 -3.18 0.06 0.00 -0.01 0.00 0.00 54.79 51.75 1nik n ASP 91 Cb 0.43 -0.75 0.37 0.00 -1.03 0.00 0.00 41.12 40.14 1nik n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1nik n ASP 92 N -0.62 0.00 -3.27 -1.12 8.00 -1.25 -4.78 116.55 113.52 1nik n ASP 92 Ca 0.43 -1.56 -0.16 0.00 0.71 0.00 0.00 54.79 54.21 1nik n ASP 92 Cb 1.36 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.43 1nik n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1nik n TYR 93 N -0.70 0.52 -0.05 1.24 4.02 -1.26 -4.88 117.16 116.05 1nik n TYR 93 Ca 0.09 -1.28 -0.08 0.00 -0.01 0.00 0.00 57.90 56.62 1nik n TYR 93 Cb 0.04 -0.15 -0.03 0.00 -0.02 0.00 0.00 39.34 39.19 1nik n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1nik n ASP 94 N -1.24 1.60 -4.82 7.72 8.00 1.00 -4.92 116.55 123.88 1nik n ASP 94 Ca -0.10 0.26 -0.36 0.00 0.71 0.00 0.00 54.79 55.30 1nik n ASP 94 Cb 0.32 -0.59 -0.07 0.00 -0.02 0.00 0.00 41.12 40.76 1nik n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1nik s TYR 95 N -2.56 3.52 -0.10 1.24 5.04 -0.83 -4.99 117.35 118.67 1nik s TYR 95 Ca -0.20 0.45 -0.10 0.00 -2.44 0.00 0.00 57.07 54.77 1nik s TYR 95 Cb 0.04 -2.01 0.03 0.00 0.35 0.00 0.00 41.96 40.37 1nik s TYR 95 CO 0.29 0.58 0.29 0.08 -1.34 0.00 0.00 175.55 175.45 1nik s VAL 96 N -0.56 0.00 0.15 3.14 1.01 -1.26 -0.60 120.40 122.29 1nik s VAL 96 Ca 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1nik s VAL 96 Cb -0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1nik s VAL 96 CO 0.02 -0.02 0.00 -0.04 0.00 0.00 0.00 175.10 175.07 1nik s MET 97 N 0.07 1.04 0.10 2.72 -1.94 0.33 -4.94 119.30 116.68 1nik s MET 97 Ca -0.01 -1.49 0.06 0.00 -1.71 0.00 0.00 55.69 52.55 1nik s MET 97 Cb -0.02 -0.15 -0.03 0.00 2.01 0.00 0.00 34.83 36.63 1nik s MET 97 CO 0.01 -0.14 -0.16 -0.47 -0.01 0.00 0.00 175.02 174.24 1nik s TYR 98 N -3.73 1.44 0.05 -0.03 5.04 -1.26 0.99 117.35 119.84 1nik s TYR 98 Ca 0.22 -0.48 -0.03 0.00 -2.44 0.00 0.00 57.07 54.34 1nik s TYR 98 Cb 0.06 -0.78 0.01 0.00 0.35 0.00 0.00 41.96 41.60 1nik s TYR 98 CO 0.02 0.14 0.16 0.41 -1.34 0.00 0.00 175.55 174.93 1nik n GLY 99 N 0.93 1.48 3.04 8.97 0.00 -0.57 -4.50 105.19 114.54 1nik n GLY 99 Ca -0.18 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 1nik n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nik s THR 100 N -2.66 1.23 0.13 2.61 2.01 -1.03 -3.86 115.64 114.07 1nik s THR 100 Ca 0.03 -0.53 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 1nik s THR 100 Cb -0.01 -1.12 -0.07 0.00 0.01 0.00 0.00 72.50 71.32 1nik s THR 100 CO 0.01 0.38 0.52 0.00 -0.69 0.00 0.00 174.62 174.84 1nik s ALA 101 N 0.68 3.61 0.03 7.40 0.00 -1.25 -1.61 121.76 130.63 1nik s ALA 101 Ca -0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 1nik s ALA 101 Cb -0.16 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 1nik s ALA 101 CO 0.04 0.47 -0.06 2.48 0.00 0.00 0.00 175.76 178.69 1nik n TYR 102 N 0.85 0.00 -5.15 0.00 0.18 -0.38 -4.71 117.16 107.94 1nik n TYR 102 Ca -0.06 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.42 1nik n TYR 102 Cb 0.52 -0.10 -0.16 0.00 -0.38 0.00 0.00 39.34 39.21 1nik n TYR 102 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1nik s LYS 103 N -2.13 2.43 -0.25 -3.48 2.20 -1.25 -5.01 119.74 112.24 1nik s LYS 103 Ca -0.05 -0.83 -0.10 0.00 -0.36 0.00 0.00 55.97 54.63 1nik s LYS 103 Cb 0.01 -2.03 -0.05 0.00 -1.51 0.00 0.00 37.83 34.26 1nik s LYS 103 CO 0.07 0.32 0.15 -0.06 -0.36 0.00 0.00 175.35 175.47 1nik s PHE 104 N -0.04 3.23 0.12 4.03 0.40 -1.26 -1.63 117.98 122.83 1nik s PHE 104 Ca -0.06 0.06 0.10 0.00 -0.60 0.00 0.00 56.93 56.43 1nik s PHE 104 Cb -0.14 -2.30 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 1nik s PHE 104 CO 0.04 -0.10 -0.25 -1.21 0.70 0.00 0.00 175.22 174.40 1nik s GLU 105 N 1.40 1.31 -0.91 0.44 2.02 0.44 -5.00 118.70 118.40 1nik s GLU 105 Ca 0.07 -1.29 -0.19 0.00 0.02 0.00 0.00 54.97 53.57 1nik s GLU 105 Cb -0.15 -1.74 0.12 0.00 0.10 0.00 0.00 34.13 32.47 1nik s GLU 105 CO 0.07 0.41 1.13 -1.21 0.02 0.00 0.00 175.26 175.67 1nik s GLU 106 N -2.01 3.56 0.00 1.61 2.02 -1.26 -0.42 118.70 122.19 1nik s GLU 106 Ca 0.12 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.45 1nik s GLU 106 Cb -0.10 -4.88 0.00 0.00 0.10 0.00 0.00 34.13 29.25 1nik s GLU 106 CO 0.05 -1.80 0.75 0.28 0.02 0.00 0.00 175.26 174.57 1nik n VAL 107 N 5.60 1.07 -0.17 2.63 0.31 -1.23 -4.89 118.33 121.66 1nik n VAL 107 Ca 0.22 0.29 0.02 0.00 -0.01 0.00 0.00 64.34 64.87 1nik n VAL 107 Cb 0.49 -1.29 -0.01 0.00 -0.91 0.00 0.00 33.84 32.12 1nik n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1nik n SER 108 N -1.25 -1.00 0.00 4.52 3.41 -1.22 -4.93 113.62 113.16 1nik n SER 108 Ca 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1nik n SER 108 Cb 0.03 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1nik n SER 108 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1nik n LYS 109 N -2.24 0.00 -0.95 4.33 4.81 -1.26 -2.83 118.16 120.02 1nik n LYS 109 Ca -0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1nik n LYS 109 Cb 0.08 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.11 1nik n LYS 109 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1nik n ASP 110 N -2.23 6.10 -3.87 3.14 5.75 -1.26 -4.83 116.55 119.35 1nik n ASP 110 Ca 0.00 -2.89 -0.11 0.00 -0.01 0.00 0.00 54.79 51.78 1nik n ASP 110 Cb 0.00 -1.15 -0.09 0.00 -1.03 0.00 0.00 41.12 38.84 1nik n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1nik s LEU 111 N -1.31 1.54 -0.08 -2.12 1.43 -1.13 -4.74 118.68 112.27 1nik s LEU 111 Ca 0.35 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1nik s LEU 111 Cb 0.23 0.74 0.02 0.00 0.03 0.00 0.00 46.19 47.21 1nik s LEU 111 CO -0.05 -0.43 0.28 -0.63 0.23 0.00 0.00 176.35 175.75 1nik s ILE 112 N -1.82 0.02 0.32 -0.59 1.01 0.19 -3.37 121.20 116.97 1nik s ILE 112 Ca -0.11 -0.17 0.06 0.00 0.00 0.00 0.00 60.65 60.43 1nik s ILE 112 Cb -0.05 -0.45 -0.06 0.00 0.01 0.00 0.00 42.46 41.90 1nik s ILE 112 CO -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 174.94 174.81 1nik s ALA 113 N -0.33 2.56 0.05 9.38 0.00 0.44 -0.50 121.76 133.36 1nik s ALA 113 Ca -0.04 -2.03 -0.04 0.00 0.00 0.00 0.00 51.96 49.85 1nik s ALA 113 Cb -0.03 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1nik s ALA 113 CO 0.01 -0.11 0.06 0.14 0.00 0.00 0.00 175.76 175.87 1nik s VAL 114 N -2.97 0.17 -0.08 0.00 -7.23 0.35 -0.42 120.40 110.22 1nik s VAL 114 Ca 0.32 -1.39 0.03 0.00 -1.81 0.00 0.00 61.98 59.13 1nik s VAL 114 Cb 0.06 -1.23 0.01 0.00 0.56 0.00 0.00 36.38 35.78 1nik s VAL 114 CO 0.14 -0.77 -0.16 -0.31 -0.31 0.00 0.00 175.10 173.70 1nik s TYR 115 N -3.40 1.81 0.12 2.82 1.51 -0.65 -0.98 117.35 118.59 1nik s TYR 115 Ca 0.02 -0.72 0.09 0.00 -1.01 0.00 0.00 57.07 55.44 1nik s TYR 115 Cb 0.04 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1nik s TYR 115 CO -0.08 -0.34 -0.21 0.71 -1.11 0.00 0.00 175.55 174.51 1nik s TYR 116 N 0.64 1.88 -0.17 2.71 1.51 -0.10 -1.25 117.35 122.57 1nik s TYR 116 Ca -0.14 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1nik s TYR 116 Cb -0.16 -1.01 0.04 0.00 -0.11 0.00 0.00 41.96 40.72 1nik s TYR 116 CO 0.04 0.25 -0.06 0.45 -1.11 0.00 0.00 175.55 175.13 1nik s SER 117 N -2.06 2.87 -1.14 2.29 0.15 -0.63 -1.88 113.70 113.30 1nik s SER 117 Ca 0.09 -0.68 -0.08 0.00 0.70 0.00 0.00 55.95 55.98 1nik s SER 117 Cb -0.09 -0.94 0.26 0.00 -1.71 0.00 0.00 66.02 63.55 1nik s SER 117 CO 0.05 -0.18 1.35 0.49 1.20 0.00 0.00 173.24 176.15 1nik n PHE 118 N 4.86 4.06 -2.78 3.44 3.01 0.50 -2.48 117.46 128.07 1nik n PHE 118 Ca -0.12 -3.31 -0.21 0.00 1.01 0.00 0.00 57.45 54.82 1nik n PHE 118 Cb 0.48 -1.65 0.01 0.00 -0.01 0.00 0.00 39.48 38.30 1nik n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nik n GLY 119 N 2.45 -0.51 0.00 1.37 0.00 -1.26 -1.16 105.19 106.08 1nik n GLY 119 Ca 0.28 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1nik n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nik n GLY 120 N -1.25 1.93 3.66 -0.02 0.00 -1.26 -5.05 105.19 103.21 1nik n GLY 120 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1nik n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nik s LEU 121 N 0.00 4.16 0.16 0.99 1.43 -0.31 -5.00 118.68 120.11 1nik s LEU 121 Ca 0.00 1.55 0.04 0.00 -1.03 0.00 0.00 54.13 54.68 1nik s LEU 121 Cb 0.00 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1nik s LEU 121 CO 0.00 -0.68 0.24 -0.76 0.23 0.00 0.00 176.35 175.38 1nik s LEU 122 N 3.14 4.15 -0.17 1.79 1.43 -1.26 0.19 118.68 127.94 1nik s LEU 122 Ca 0.49 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.55 1nik s LEU 122 Cb -0.19 -2.73 0.06 0.00 0.03 0.00 0.00 46.19 43.36 1nik s LEU 122 CO 0.12 0.05 0.42 -0.32 0.23 0.00 0.00 176.35 176.84 1nik s MET 123 N -3.26 0.41 -0.13 1.70 -2.45 -0.79 -0.36 119.30 114.42 1nik s MET 123 Ca 0.33 0.78 0.03 0.00 -1.25 0.00 0.00 55.69 55.58 1nik s MET 123 Cb -0.10 0.00 0.01 0.00 1.25 0.00 0.00 34.83 35.98 1nik s MET 123 CO 0.27 -0.15 -0.22 0.50 1.05 0.00 0.00 175.02 176.47 1nik s ARG 124 N 1.31 2.94 -0.12 4.11 3.52 0.03 -0.93 118.95 129.81 1nik s ARG 124 Ca -0.09 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.70 1nik s ARG 124 Cb -0.08 -2.34 -0.01 0.00 -1.56 0.00 0.00 34.95 30.97 1nik s ARG 124 CO -0.12 0.03 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.06 1nik s LEU 125 N 0.70 2.42 -0.12 -0.88 2.96 -0.15 -2.03 118.68 121.58 1nik s LEU 125 Ca -0.10 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1nik s LEU 125 Cb -0.16 -1.52 -0.00 0.00 0.50 0.00 0.00 46.19 45.01 1nik s LEU 125 CO 0.01 0.15 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.29 1nik s GLU 126 N 0.42 3.14 0.00 1.98 2.12 -1.04 -0.49 118.70 124.83 1nik s GLU 126 Ca -0.13 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.38 1nik s GLU 126 Cb -0.17 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.78 1nik s GLU 126 CO 0.06 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.31 1nik n GLY 127 N 3.71 0.63 0.15 -1.50 0.00 0.34 -2.68 105.19 105.83 1nik n GLY 127 Ca -0.19 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1nik n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nik n ASN 128 N 0.00 0.00 0.00 1.61 2.85 -1.26 0.55 115.26 119.01 1nik n ASN 128 Ca 0.00 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.52 1nik n ASN 128 Cb 0.00 0.04 0.24 0.00 1.24 0.00 0.00 39.78 41.30 1nik n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1nik n TYR 129 N -1.13 0.00 0.65 1.20 0.18 -1.26 -2.60 117.16 114.20 1nik n TYR 129 Ca 0.00 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.86 1nik n TYR 129 Cb 0.00 -0.45 0.38 0.00 -0.38 0.00 0.00 39.34 38.90 1nik n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1nik n ARG 130 N -1.45 0.08 -0.42 -3.48 1.74 -1.26 -3.59 116.66 108.28 1nik n ARG 130 Ca 0.03 0.18 0.37 0.00 -0.77 0.00 0.00 57.85 57.67 1nik n ARG 130 Cb 0.12 -1.50 0.71 0.00 -1.02 0.00 0.00 32.46 30.77 1nik n ARG 130 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1nik h ASN 131 N 0.00 0.11 0.00 0.55 2.35 -1.85 -0.05 115.58 116.69 1nik h ASN 131 Ca 0.00 0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 1nik h ASN 131 Cb 0.25 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1nik h ASN 131 CO 0.00 -0.02 -1.32 0.18 -1.65 0.00 0.00 177.43 174.62 1nik n LEU 132 N -4.28 1.94 0.27 1.61 4.77 -1.24 -4.59 117.00 115.48 1nik n LEU 132 Ca 0.31 0.33 0.18 0.00 -0.03 0.00 0.00 56.01 56.81 1nik n LEU 132 Cb 1.38 -0.75 0.91 0.00 -2.33 0.00 0.00 43.42 42.63 1nik n LEU 132 CO 0.36 -0.09 1.15 0.78 -1.33 0.00 0.00 177.39 178.26 1nik h ASN 133 N -0.99 0.00 -3.10 -1.43 2.35 -1.68 -3.41 115.58 107.31 1nik h ASN 133 Ca -0.15 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 54.99 1nik h ASN 133 Cb 1.12 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.42 1nik h ASN 133 CO -0.09 0.00 -0.27 0.21 -1.65 0.00 0.00 177.43 175.63 1nik s ASN 134 N -5.17 6.61 0.94 5.81 3.84 -0.05 -4.50 114.94 122.42 1nik s ASN 134 Ca -0.04 0.72 0.00 0.00 0.21 0.00 0.00 52.86 53.75 1nik s ASN 134 Cb 0.13 -2.21 0.00 0.00 -0.55 0.00 0.00 41.25 38.62 1nik s ASN 134 CO 0.43 0.22 0.00 0.18 -2.79 0.00 0.00 177.10 175.14 1nik n LEU 135 N 2.67 0.00 0.00 3.21 4.77 -1.26 -4.91 117.00 121.48 1nik n LEU 135 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1nik n LEU 135 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1nik n LEU 135 CO 0.38 -1.32 0.15 1.17 -1.33 0.00 0.00 177.39 176.44 1nik n LYS 136 N -1.76 0.00 -3.45 3.23 4.81 -1.26 -5.08 118.16 114.64 1nik n LYS 136 Ca 0.00 -0.29 -0.16 0.00 -0.87 0.00 0.00 58.31 56.99 1nik n LYS 136 Cb 0.00 -0.42 -0.04 0.00 0.02 0.00 0.00 35.03 34.59 1nik n LYS 136 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1nik n GLN 137 N 0.00 0.82 0.00 1.64 6.02 -1.26 -5.06 117.38 119.53 1nik n GLN 137 Ca 0.00 -2.07 0.00 0.00 -0.01 0.00 0.00 57.00 54.92 1nik n GLN 137 Cb 0.42 1.03 0.00 0.00 1.02 0.00 0.00 30.24 32.71 1nik n GLN 137 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1nik n GLU 138 N -0.58 0.00 -0.55 -1.09 2.13 -1.26 -4.15 120.64 115.14 1nik n GLU 138 Ca -0.05 0.67 -0.20 0.00 0.66 0.00 0.00 57.16 58.25 1nik n GLU 138 Cb 0.37 -1.37 -0.02 0.00 0.27 0.00 0.00 31.44 30.69 1nik n GLU 138 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1nik n ASN 139 N -2.13 -0.33 0.00 4.31 3.02 -1.26 -3.74 115.26 115.13 1nik n ASN 139 Ca 0.00 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1nik n ASN 139 Cb 0.00 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1nik n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nik n ALA 140 N 0.18 0.00 -2.80 5.41 0.00 -1.25 -4.81 120.51 117.24 1nik n ALA 140 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.23 1nik n ALA 140 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 1nik n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1nik s TYR 141 N 0.00 3.49 -0.20 0.00 1.51 -1.24 -1.51 117.35 119.40 1nik s TYR 141 Ca 0.00 0.33 0.01 0.00 -1.01 0.00 0.00 57.07 56.40 1nik s TYR 141 Cb 0.00 -1.84 0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1nik s TYR 141 CO 0.00 0.44 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.55 1nik s LEU 142 N -3.09 2.41 -0.09 -1.29 2.96 0.28 -4.14 118.68 115.71 1nik s LEU 142 Ca 0.38 -0.85 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1nik s LEU 142 Cb -0.11 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 1nik s LEU 142 CO 0.28 -0.08 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.32 1nik s LEU 143 N 1.29 2.60 0.03 -0.68 1.02 0.78 -0.51 118.68 123.21 1nik s LEU 143 Ca 0.01 -0.32 0.03 0.00 0.02 0.00 0.00 54.13 53.87 1nik s LEU 143 Cb -0.15 -1.55 -0.02 0.00 0.02 0.00 0.00 46.19 44.49 1nik s LEU 143 CO -0.10 0.24 -0.09 -0.63 0.02 0.00 0.00 176.35 175.79 1nik s ILE 144 N -0.11 0.70 0.04 -0.59 1.01 0.23 -0.74 121.20 121.74 1nik s ILE 144 Ca -0.02 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 1nik s ILE 144 Cb -0.14 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 1nik s ILE 144 CO 0.04 -0.12 0.13 0.00 0.00 0.00 0.00 174.94 174.99 1nik s ARG 145 N -1.05 0.64 0.00 2.79 1.70 -1.16 -0.00 118.95 121.87 1nik s ARG 145 Ca -0.03 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 54.49 1nik s ARG 145 Cb -0.07 0.26 0.00 0.00 -0.57 0.00 0.00 34.95 34.57 1nik s ARG 145 CO 0.01 -0.17 0.00 0.54 -1.08 0.00 0.00 175.30 174.59