#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u21 h PRO 11 N 0.00 0.00 -3.02 0.00 0.11 -1.87 -3.41 132.00 123.81 1u21 h PRO 11 Ca 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.87 1u21 h PRO 11 Cb 0.00 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 30.78 1u21 h PRO 11 CO 0.00 0.14 -0.57 -1.17 -0.21 0.00 0.00 178.00 176.20 1u21 s LEU 12 N -7.71 0.03 0.01 2.35 2.96 -1.26 -0.80 118.68 114.27 1u21 s LEU 12 Ca -0.03 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1u21 s LEU 12 Cb 0.14 0.52 -0.01 0.00 0.50 0.00 0.00 46.19 47.34 1u21 s LEU 12 CO 0.62 -0.22 -0.06 -0.32 -1.32 0.00 0.00 176.35 175.06 1u21 s MET 13 N 2.01 0.43 -0.08 1.98 -2.45 -0.14 -4.34 119.30 116.71 1u21 s MET 13 Ca -0.01 -0.36 0.05 0.00 -1.25 0.00 0.00 55.69 54.11 1u21 s MET 13 Cb -0.12 -0.34 -0.00 0.00 1.25 0.00 0.00 34.83 35.62 1u21 s MET 13 CO -0.07 0.08 -0.24 0.08 1.05 0.00 0.00 175.02 175.92 1u21 s VAL 14 N -0.54 2.01 -0.07 10.11 1.01 -0.91 -0.47 120.40 131.54 1u21 s VAL 14 Ca -0.02 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1u21 s VAL 14 Cb -0.05 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1u21 s VAL 14 CO -0.00 0.55 -0.16 -0.75 0.00 0.00 0.00 175.10 174.74 1u21 s LYS 15 N 0.17 2.06 -0.06 2.72 2.20 0.16 -0.22 119.74 126.77 1u21 s LYS 15 Ca -0.13 -0.56 0.02 0.00 -0.36 0.00 0.00 55.97 54.94 1u21 s LYS 15 Cb -0.16 -1.65 0.01 0.00 -1.51 0.00 0.00 37.83 34.52 1u21 s LYS 15 CO 0.07 0.09 -0.12 0.08 -0.36 0.00 0.00 175.35 175.11 1u21 s VAL 16 N 0.50 1.10 0.16 4.02 1.01 0.76 -0.52 120.40 127.44 1u21 s VAL 16 Ca -0.14 -0.47 0.11 0.00 0.00 0.00 0.00 61.98 61.47 1u21 s VAL 16 Cb -0.16 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1u21 s VAL 16 CO 0.05 0.35 -0.22 -0.76 0.00 0.00 0.00 175.10 174.52 1u21 s LEU 17 N 0.63 2.53 -0.30 3.92 1.43 0.06 -0.98 118.68 125.97 1u21 s LEU 17 Ca -0.14 -0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 52.17 1u21 s LEU 17 Cb -0.15 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.77 1u21 s LEU 17 CO 0.03 0.14 0.06 -0.62 0.23 0.00 0.00 176.35 176.20 1u21 s ASP 18 N -2.45 5.04 0.04 2.29 -1.08 0.40 -0.25 116.67 120.65 1u21 s ASP 18 Ca 0.19 -0.87 0.26 0.00 -0.52 0.00 0.00 52.55 51.62 1u21 s ASP 18 Cb -0.09 -1.84 1.07 0.00 -1.46 0.00 0.00 42.92 40.60 1u21 s ASP 18 CO 0.10 -0.22 1.83 0.00 0.52 0.00 0.00 175.17 177.39 1u21 n ALA 19 N 4.81 2.19 0.01 3.66 0.00 0.35 -1.16 120.51 130.38 1u21 n ALA 19 Ca -0.14 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.04 1u21 n ALA 19 Cb 0.47 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 1u21 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u21 h VAL 20 N 0.00 1.56 0.00 0.00 2.07 -1.94 -3.39 116.25 114.55 1u21 h VAL 20 Ca 0.00 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.04 1u21 h VAL 20 Cb 0.49 3.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1u21 h VAL 20 CO 0.00 0.68 -1.43 0.54 0.02 0.00 0.00 177.57 177.38 1u21 n ARG 21 N -4.25 0.38 -2.65 1.57 1.74 -1.22 -4.99 116.66 107.23 1u21 n ARG 21 Ca -0.13 -0.08 -0.08 0.00 -0.77 0.00 0.00 57.85 56.78 1u21 n ARG 21 Cb 0.73 -1.55 0.04 0.00 -1.02 0.00 0.00 32.46 30.67 1u21 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u21 n GLY 22 N 1.35 0.04 3.34 -0.13 0.00 -0.31 -5.04 105.19 104.45 1u21 n GLY 22 Ca -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1u21 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u21 s SER 23 N -3.60 -0.07 0.58 1.61 1.04 -1.09 -5.00 113.70 107.16 1u21 s SER 23 Ca 0.02 -0.61 -0.19 0.00 0.48 0.00 0.00 55.95 55.65 1u21 s SER 23 Cb -0.00 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 1u21 s SER 23 CO 0.35 -0.88 1.07 -0.81 0.98 0.00 0.00 173.24 173.95 1u21 n PRO 24 N -0.21 1.09 -3.19 4.02 -0.04 -1.26 -0.46 135.00 134.95 1u21 n PRO 24 Ca -0.12 0.42 -0.44 0.00 -0.04 0.00 0.00 63.50 63.32 1u21 n PRO 24 Cb 0.63 -2.27 -0.07 0.00 -0.04 0.00 0.00 33.50 31.76 1u21 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u21 s ALA 25 N -1.44 3.40 0.22 0.55 0.00 -0.16 -4.58 121.76 119.75 1u21 s ALA 25 Ca 0.75 -1.72 -0.14 0.00 0.00 0.00 0.00 51.96 50.85 1u21 s ALA 25 Cb -0.42 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 1u21 s ALA 25 CO 0.47 -1.93 0.61 0.42 0.00 0.00 0.00 175.76 175.34 1u21 s ILE 26 N 2.50 4.80 -1.50 0.00 1.01 -1.26 -4.33 121.20 122.42 1u21 s ILE 26 Ca 0.14 0.81 -0.03 0.00 0.00 0.00 0.00 60.65 61.57 1u21 s ILE 26 Cb -0.19 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1u21 s ILE 26 CO 0.12 0.06 0.42 0.59 0.00 0.00 0.00 174.94 176.13 1u21 n ASN 27 N 0.29 -5.75 -4.70 3.58 3.02 -0.35 -4.94 115.26 106.40 1u21 n ASN 27 Ca -0.01 -0.20 -0.40 0.00 -0.03 0.00 0.00 54.58 53.93 1u21 n ASN 27 Cb 0.52 -4.63 -0.04 0.00 -0.61 0.00 0.00 39.78 35.01 1u21 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1u21 s VAL 28 N -3.09 4.98 0.24 2.41 1.01 -1.26 -4.74 120.40 119.95 1u21 s VAL 28 Ca 0.21 1.56 -0.30 0.00 0.00 0.00 0.00 61.98 63.45 1u21 s VAL 28 Cb -0.09 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 1u21 s VAL 28 CO 0.26 0.17 1.05 0.00 0.00 0.00 0.00 175.10 176.58 1u21 s ALA 29 N 1.24 3.37 -0.03 5.51 0.00 -1.26 -1.22 121.76 129.38 1u21 s ALA 29 Ca 0.39 0.79 0.01 0.00 0.00 0.00 0.00 51.96 53.15 1u21 s ALA 29 Cb -0.18 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1u21 s ALA 29 CO 0.17 -0.06 -0.02 0.08 0.00 0.00 0.00 175.76 175.93 1u21 s VAL 30 N -0.93 0.36 -0.09 0.00 1.01 -0.11 -1.08 120.40 119.55 1u21 s VAL 30 Ca 0.45 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.43 1u21 s VAL 30 Cb -0.29 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1u21 s VAL 30 CO 0.37 0.18 -0.22 -1.00 0.00 0.00 0.00 175.10 174.43 1u21 s HIS 31 N 0.89 2.33 -0.10 5.22 3.76 0.52 -1.87 115.29 126.04 1u21 s HIS 31 Ca -0.10 -0.95 -0.02 0.00 -0.15 0.00 0.00 55.06 53.84 1u21 s HIS 31 Cb -0.13 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.95 1u21 s HIS 31 CO -0.01 -0.39 -0.02 0.08 -0.85 0.00 0.00 174.74 173.56 1u21 s VAL 32 N 0.41 4.14 0.10 -0.90 1.01 0.13 -0.35 120.40 124.94 1u21 s VAL 32 Ca -0.18 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1u21 s VAL 32 Cb -0.18 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1u21 s VAL 32 CO 0.08 0.57 -0.18 -0.36 0.00 0.00 0.00 175.10 175.21 1u21 s PHE 33 N -0.54 1.56 -0.05 5.22 0.40 0.02 -0.48 117.98 124.11 1u21 s PHE 33 Ca 0.09 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 56.02 1u21 s PHE 33 Cb -0.12 -0.85 -0.01 0.00 0.51 0.00 0.00 43.02 42.56 1u21 s PHE 33 CO 0.02 0.16 -0.22 0.50 0.70 0.00 0.00 175.22 176.38 1u21 s ARG 34 N -2.01 2.26 0.12 0.44 3.52 0.11 -0.99 118.95 122.40 1u21 s ARG 34 Ca 0.05 -0.78 -0.31 0.00 -0.13 0.00 0.00 55.73 54.56 1u21 s ARG 34 Cb -0.09 -1.92 -0.07 0.00 -1.56 0.00 0.00 34.95 31.31 1u21 s ARG 34 CO 0.04 0.32 1.29 0.21 -0.81 0.00 0.00 175.30 176.35 1u21 s LYS 35 N -0.05 4.39 0.69 5.12 2.20 0.01 -1.22 119.74 130.86 1u21 s LYS 35 Ca -0.04 1.95 -0.05 0.00 -0.36 0.00 0.00 55.97 57.46 1u21 s LYS 35 Cb -0.13 -3.27 0.06 0.00 -1.51 0.00 0.00 37.83 32.98 1u21 s LYS 35 CO 0.03 -0.31 0.99 0.00 -0.36 0.00 0.00 175.35 175.70 1u21 s ALA 36 N 0.82 3.26 0.44 3.13 0.00 0.12 -4.70 121.76 124.83 1u21 s ALA 36 Ca 0.60 -1.01 0.34 0.00 0.00 0.00 0.00 51.96 51.89 1u21 s ALA 36 Cb -0.34 -2.51 1.76 0.00 0.00 0.00 0.00 23.12 22.03 1u21 s ALA 36 CO 0.32 -1.25 2.16 0.00 0.00 0.00 0.00 175.76 176.99 1u21 h ALA 37 N -0.52 1.15 -0.19 0.00 0.00 -1.95 -0.85 119.26 116.90 1u21 h ALA 37 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1u21 h ALA 37 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1u21 h ALA 37 CO 0.58 0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.49 1u21 n ASP 38 N -3.37 1.62 0.00 0.00 5.68 -1.26 -4.93 116.55 114.30 1u21 n ASP 38 Ca -0.02 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 1u21 n ASP 38 Cb 0.19 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1u21 n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1u21 n ASP 39 N 0.31 0.00 -4.90 -1.12 8.00 -0.33 -5.04 116.55 113.47 1u21 n ASP 39 Ca 0.15 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.37 1u21 n ASP 39 Cb 0.31 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.44 1u21 n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1u21 s THR 40 N -3.17 3.84 -0.52 -3.53 -4.23 -1.26 -4.74 115.64 102.03 1u21 s THR 40 Ca 0.00 0.31 -0.19 0.00 -1.18 0.00 0.00 61.69 60.63 1u21 s THR 40 Cb 0.00 -3.55 0.06 0.00 1.34 0.00 0.00 72.50 70.35 1u21 s THR 40 CO 0.00 -0.65 0.64 0.26 -0.54 0.00 0.00 174.62 174.34 1u21 s TRP 41 N -3.13 3.04 0.01 3.99 0.52 -1.26 -0.70 118.94 121.40 1u21 s TRP 41 Ca 0.55 -0.57 -0.24 0.00 0.02 0.00 0.00 56.10 55.86 1u21 s TRP 41 Cb -0.11 -3.60 -0.05 0.00 -1.15 0.00 0.00 33.47 28.56 1u21 s TRP 41 CO 0.49 -1.07 0.73 -1.21 0.02 0.00 0.00 176.95 175.91 1u21 s GLU 42 N 2.67 4.46 0.34 4.98 2.02 -0.36 -4.86 118.70 127.95 1u21 s GLU 42 Ca 0.15 0.98 -0.29 0.00 0.02 0.00 0.00 54.97 55.84 1u21 s GLU 42 Cb -0.20 -3.38 -0.11 0.00 0.10 0.00 0.00 34.13 30.54 1u21 s GLU 42 CO 0.11 0.25 1.53 -2.14 0.02 0.00 0.00 175.26 175.04 1u21 s PRO 43 N 0.11 4.12 0.00 0.39 0.02 -1.26 -0.71 135.00 137.67 1u21 s PRO 43 Ca 0.37 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.97 1u21 s PRO 43 Cb -0.20 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1u21 s PRO 43 CO 0.21 -0.58 0.00 0.34 -0.33 0.00 0.00 177.00 176.64 1u21 n PHE 44 N 1.25 0.00 -3.60 6.54 7.35 0.37 -4.79 117.46 124.58 1u21 n PHE 44 Ca 0.04 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.66 1u21 n PHE 44 Cb 0.38 0.03 -0.02 0.00 0.35 0.00 0.00 39.48 40.23 1u21 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1u21 s ALA 45 N -1.97 -1.67 0.29 3.13 0.00 -0.98 -5.00 121.76 115.56 1u21 s ALA 45 Ca 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 1u21 s ALA 45 Cb 0.00 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.74 1u21 s ALA 45 CO 0.00 -0.84 0.54 -1.54 0.00 0.00 0.00 175.76 173.92 1u21 s SER 46 N -2.71 0.09 0.00 0.00 1.04 -1.26 0.17 113.70 111.03 1u21 s SER 46 Ca 0.07 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1u21 s SER 46 Cb -0.02 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1u21 s SER 46 CO -0.05 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.52 1u21 n GLY 47 N -0.44 -1.19 3.10 7.32 0.00 -0.78 -4.99 105.19 108.21 1u21 n GLY 47 Ca -0.02 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 1u21 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u21 s LYS 48 N -0.74 0.65 0.54 1.61 -2.85 -1.26 -0.94 119.74 116.75 1u21 s LYS 48 Ca 0.00 -1.03 -0.20 0.00 -1.00 0.00 0.00 55.97 53.74 1u21 s LYS 48 Cb 0.00 -0.18 -0.06 0.00 -2.06 0.00 0.00 37.83 35.53 1u21 s LYS 48 CO 0.00 -0.00 1.12 0.95 0.10 0.00 0.00 175.35 177.52 1u21 s THR 49 N -2.57 3.21 0.44 3.79 -4.23 -0.35 -4.71 115.64 111.22 1u21 s THR 49 Ca 0.00 0.76 -0.07 0.00 -1.18 0.00 0.00 61.69 61.20 1u21 s THR 49 Cb -0.02 -3.31 0.10 0.00 1.34 0.00 0.00 72.50 70.62 1u21 s THR 49 CO -0.03 -0.16 0.60 -1.54 -0.54 0.00 0.00 174.62 172.95 1u21 n SER 50 N -1.26 0.08 0.11 3.99 3.41 0.13 -1.21 113.62 118.86 1u21 n SER 50 Ca 0.11 -1.24 0.18 0.00 -0.26 0.00 0.00 58.87 57.67 1u21 n SER 50 Cb 0.51 -0.45 0.75 0.00 -0.26 0.00 0.00 64.21 64.75 1u21 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1u21 h GLU 51 N 0.00 0.00 -0.01 4.33 5.08 -1.94 -1.08 114.58 120.96 1u21 h GLU 51 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1u21 h GLU 51 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1u21 h GLU 51 CO 0.14 0.00 -0.10 -1.13 -1.00 0.00 0.00 179.01 176.92 1u21 n SER 52 N -4.07 1.39 -0.07 1.42 3.41 -1.26 -4.78 113.62 109.65 1u21 n SER 52 Ca 0.05 -1.30 -0.01 0.00 -0.26 0.00 0.00 58.87 57.35 1u21 n SER 52 Cb 0.46 0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1u21 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u21 n GLY 53 N 1.24 0.49 3.52 5.00 0.00 -0.41 -4.74 105.19 110.30 1u21 n GLY 53 Ca 0.16 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 1u21 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u21 s GLU 54 N -1.11 1.90 -0.13 1.61 2.02 -1.26 -0.17 118.70 121.55 1u21 s GLU 54 Ca 0.00 -1.21 -0.01 0.00 0.02 0.00 0.00 54.97 53.78 1u21 s GLU 54 Cb 0.00 -2.14 0.03 0.00 0.10 0.00 0.00 34.13 32.12 1u21 s GLU 54 CO 0.00 0.46 -0.05 -1.17 0.02 0.00 0.00 175.26 174.52 1u21 s LEU 55 N -2.40 1.24 0.42 1.80 2.96 0.69 -0.70 118.68 122.70 1u21 s LEU 55 Ca 0.21 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 1u21 s LEU 55 Cb -0.10 -0.80 -0.06 0.00 0.50 0.00 0.00 46.19 45.73 1u21 s LEU 55 CO 0.12 -0.16 0.12 -1.00 -1.32 0.00 0.00 176.35 174.11 1u21 s HIS 56 N 1.72 2.55 -0.43 5.38 3.76 -1.26 -2.14 115.29 124.87 1u21 s HIS 56 Ca 0.03 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 1u21 s HIS 56 Cb -0.14 -1.89 0.00 0.00 1.11 0.00 0.00 32.58 31.67 1u21 s HIS 56 CO -0.08 0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.50 1u21 n GLY 57 N -1.14 0.69 0.18 -2.22 0.00 -1.26 -4.92 105.19 96.52 1u21 n GLY 57 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1u21 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1u21 h LEU 58 N 0.00 0.09 -7.95 0.99 3.38 -1.87 -3.47 115.31 106.47 1u21 h LEU 58 Ca -0.08 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1u21 h LEU 58 Cb 0.31 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1u21 h LEU 58 CO 0.12 0.51 0.34 0.28 0.09 0.00 0.00 178.44 179.78 1u21 s THR 59 N -4.06 0.00 0.32 0.22 -1.32 -1.26 -4.81 115.64 104.72 1u21 s THR 59 Ca -0.03 -0.89 0.10 0.00 -1.21 0.00 0.00 61.69 59.65 1u21 s THR 59 Cb 0.14 -2.54 -0.06 0.00 -1.51 0.00 0.00 72.50 68.52 1u21 s THR 59 CO 0.75 0.00 -0.11 0.42 -2.21 0.00 0.00 174.62 173.46 1u21 s THR 60 N -2.83 2.19 0.42 5.08 -4.23 -1.26 -4.61 115.64 110.40 1u21 s THR 60 Ca 0.15 -2.24 0.10 0.00 -1.18 0.00 0.00 61.69 58.52 1u21 s THR 60 Cb -0.04 -2.52 0.30 0.00 1.34 0.00 0.00 72.50 71.57 1u21 s THR 60 CO 0.08 -0.27 2.01 -0.08 -0.54 0.00 0.00 174.62 175.82 1u21 h GLU 61 N 2.13 0.47 -0.30 3.99 4.81 -1.99 -0.97 114.58 122.72 1u21 h GLU 61 Ca -0.41 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 58.66 1u21 h GLU 61 Cb 1.25 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1u21 h GLU 61 CO 0.67 0.31 -0.32 1.49 -0.73 0.00 0.00 179.01 180.43 1u21 h GLU 62 N 0.49 0.75 0.00 1.92 4.81 -2.03 -3.16 114.58 117.35 1u21 h GLU 62 Ca 0.22 -0.40 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 1u21 h GLU 62 Cb 0.26 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1u21 h GLU 62 CO -0.06 1.03 -0.67 1.49 -0.73 0.00 0.00 179.01 180.07 1u21 h GLU 63 N 0.51 0.00 -3.59 1.92 4.81 -1.83 -3.39 114.58 113.01 1u21 h GLU 63 Ca 0.05 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.52 1u21 h GLU 63 Cb 0.90 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.14 1u21 h GLU 63 CO 0.08 0.67 2.08 0.34 -0.73 0.00 0.00 179.01 181.44 1u21 n PHE 64 N -3.55 3.06 -1.97 0.92 7.35 -0.42 -4.95 117.46 117.90 1u21 n PHE 64 Ca -0.00 -2.82 -0.29 0.00 -0.76 0.00 0.00 57.45 53.57 1u21 n PHE 64 Cb 0.70 -2.00 0.16 0.00 0.35 0.00 0.00 39.48 38.69 1u21 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1u21 s VAL 65 N 0.63 2.02 0.42 -2.13 -7.23 -1.26 -4.93 120.40 107.92 1u21 s VAL 65 Ca 0.40 -0.05 -0.25 0.00 -1.81 0.00 0.00 61.98 60.28 1u21 s VAL 65 Cb 0.09 -2.97 -0.10 0.00 0.56 0.00 0.00 36.38 33.96 1u21 s VAL 65 CO -0.00 0.00 1.20 1.21 -0.31 0.00 0.00 175.10 177.20 1u21 n GLU 66 N -3.58 1.77 0.00 4.82 0.00 -1.26 -4.78 120.64 117.61 1u21 n GLU 66 Ca 0.13 0.63 0.00 0.00 0.00 0.00 0.00 57.16 57.92 1u21 n GLU 66 Cb 0.60 -2.29 0.00 0.00 0.00 0.00 0.00 31.44 29.75 1u21 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1u21 n GLY 67 N 0.91 -0.97 3.62 8.31 0.00 -1.03 -4.99 105.19 111.03 1u21 n GLY 67 Ca 0.07 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 1u21 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u21 s ILE 68 N -2.00 5.18 0.18 -0.61 1.01 -1.26 -1.26 121.20 122.44 1u21 s ILE 68 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.85 1u21 s ILE 68 Cb 0.00 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1u21 s ILE 68 CO 0.00 0.33 -0.02 -0.31 0.00 0.00 0.00 174.94 174.95 1u21 s TYR 69 N 1.21 2.80 -0.08 3.97 1.51 0.37 -0.81 117.35 126.32 1u21 s TYR 69 Ca 0.07 -0.16 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 1u21 s TYR 69 Cb -0.14 -1.35 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 1u21 s TYR 69 CO 0.05 0.52 -0.11 0.21 -1.11 0.00 0.00 175.55 175.12 1u21 s LYS 70 N -2.97 1.68 -0.28 -0.62 2.20 -0.16 -1.16 119.74 118.44 1u21 s LYS 70 Ca 0.27 -0.38 -0.05 0.00 -0.36 0.00 0.00 55.97 55.45 1u21 s LYS 70 Cb -0.09 -1.48 0.01 0.00 -1.51 0.00 0.00 37.83 34.77 1u21 s LYS 70 CO 0.18 -0.05 0.04 0.08 -0.36 0.00 0.00 175.35 175.24 1u21 s VAL 71 N 0.94 3.64 -0.23 4.02 1.01 0.11 -0.80 120.40 129.09 1u21 s VAL 71 Ca -0.09 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1u21 s VAL 71 Cb -0.15 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1u21 s VAL 71 CO 0.00 0.11 0.07 -0.70 0.00 0.00 0.00 175.10 174.59 1u21 s GLU 72 N 1.45 3.78 -0.16 2.72 2.12 0.53 -0.23 118.70 128.90 1u21 s GLU 72 Ca 0.02 -0.43 -0.03 0.00 0.36 0.00 0.00 54.97 54.89 1u21 s GLU 72 Cb -0.17 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 1u21 s GLU 72 CO 0.00 -0.03 -0.04 0.42 -0.54 0.00 0.00 175.26 175.07 1u21 s ILE 73 N 1.21 3.76 -1.18 -3.70 1.01 0.65 -0.36 121.20 122.59 1u21 s ILE 73 Ca 0.05 -0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 1u21 s ILE 73 Cb -0.14 -2.65 0.23 0.00 0.01 0.00 0.00 42.46 39.90 1u21 s ILE 73 CO 0.04 0.48 1.54 0.47 0.00 0.00 0.00 174.94 177.47 1u21 n ASP 74 N 3.71 5.56 0.08 3.58 8.00 -0.24 -1.04 116.55 136.20 1u21 n ASP 74 Ca -0.17 -3.15 -0.04 0.00 0.71 0.00 0.00 54.79 52.13 1u21 n ASP 74 Cb 0.52 -1.43 0.15 0.00 -0.02 0.00 0.00 41.12 40.35 1u21 n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1u21 h THR 75 N 3.84 1.35 -0.46 -3.53 1.35 -1.87 -3.01 112.91 110.59 1u21 h THR 75 Ca 0.29 -1.80 -0.05 0.00 -0.55 0.00 0.00 66.41 64.31 1u21 h THR 75 Cb 0.72 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 1u21 h THR 75 CO 1.36 0.54 0.10 0.50 -0.25 0.00 0.00 175.52 177.77 1u21 h LYS 76 N 0.21 0.73 -0.78 4.72 3.64 -1.69 -1.75 116.57 121.66 1u21 h LYS 76 Ca 0.01 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1u21 h LYS 76 Cb 1.00 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 1u21 h LYS 76 CO 0.08 0.73 0.41 0.77 -2.27 0.00 0.00 179.45 179.18 1u21 h SER 77 N 0.61 0.98 0.07 4.20 0.02 -1.82 -0.91 113.55 116.70 1u21 h SER 77 Ca 0.14 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1u21 h SER 77 Cb 0.33 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1u21 h SER 77 CO 0.00 0.80 -0.18 0.22 -1.14 0.00 0.00 176.83 176.53 1u21 h TYR 78 N 1.09 -0.48 -0.50 3.45 3.20 -1.31 -2.47 116.97 119.95 1u21 h TYR 78 Ca 0.27 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 1u21 h TYR 78 Cb 0.05 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1u21 h TYR 78 CO 0.01 -0.27 0.02 -1.49 -1.64 0.00 0.00 178.16 174.79 1u21 h TRP 79 N -0.33 0.95 -0.90 -3.82 4.06 -1.08 -3.11 115.95 111.71 1u21 h TRP 79 Ca 0.03 -0.16 0.04 0.00 2.06 0.00 0.00 58.89 60.87 1u21 h TRP 79 Cb 0.37 -0.25 -0.05 0.00 -1.00 0.00 0.00 29.16 28.23 1u21 h TRP 79 CO -0.20 0.88 0.59 0.87 -3.56 0.00 0.00 178.44 177.03 1u21 h LYS 80 N 0.74 1.08 0.00 0.49 1.79 -0.89 0.16 116.57 119.94 1u21 h LYS 80 Ca 0.14 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1u21 h LYS 80 Cb 0.49 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1u21 h LYS 80 CO 0.02 0.72 -0.10 0.00 -1.08 0.00 0.00 179.45 179.01 1u21 h ALA 81 N 1.48 1.30 -0.48 3.86 0.00 -1.38 -0.91 119.26 123.13 1u21 h ALA 81 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1u21 h ALA 81 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1u21 h ALA 81 CO -0.11 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1u21 n LEU 82 N -3.64 2.84 0.00 0.00 4.77 0.42 -4.93 117.00 116.46 1u21 n LEU 82 Ca -0.02 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 1u21 n LEU 82 Cb 0.22 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1u21 n LEU 82 CO 0.29 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1u21 n GLY 83 N 1.17 0.74 3.65 -0.72 0.00 -0.35 -5.04 105.19 104.65 1u21 n GLY 83 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1u21 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u21 s ILE 84 N -2.63 4.24 -0.52 -0.61 1.01 -0.44 -4.96 121.20 117.28 1u21 s ILE 84 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 1u21 s ILE 84 Cb 0.00 -2.79 0.12 0.00 0.01 0.00 0.00 42.46 39.80 1u21 s ILE 84 CO 0.00 0.59 0.47 -0.44 0.00 0.00 0.00 174.94 175.56 1u21 s SER 85 N -0.69 6.13 0.65 3.58 0.01 -1.26 -2.56 113.70 119.57 1u21 s SER 85 Ca 0.11 -1.74 -0.04 0.00 1.31 0.00 0.00 55.95 55.58 1u21 s SER 85 Cb -0.12 -2.18 0.05 0.00 0.21 0.00 0.00 66.02 63.98 1u21 s SER 85 CO 0.02 -0.81 0.94 -2.16 0.41 0.00 0.00 173.24 171.64 1u21 s PRO 86 N 1.58 2.36 -0.01 12.44 0.04 -1.26 -5.01 135.00 145.14 1u21 s PRO 86 Ca 0.03 -0.37 -0.20 0.00 0.04 0.00 0.00 61.00 60.50 1u21 s PRO 86 Cb -0.29 -2.26 -0.25 0.00 0.04 0.00 0.00 34.50 31.74 1u21 s PRO 86 CO 0.03 -1.04 1.06 0.35 0.04 0.00 0.00 177.00 177.43 1u21 h PHE 87 N -0.38 0.59 -3.40 0.56 3.57 -1.46 -3.47 116.94 112.95 1u21 h PHE 87 Ca -0.44 -0.34 -0.54 0.00 3.53 0.00 0.00 57.97 60.18 1u21 h PHE 87 Cb 1.30 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 1u21 h PHE 87 CO 0.36 1.17 -0.02 -1.01 -2.23 0.00 0.00 178.31 176.58 1u21 s HIS 88 N -3.05 3.61 0.12 0.41 3.76 -1.26 -4.99 115.29 113.89 1u21 s HIS 88 Ca -0.13 1.16 -0.14 0.00 -0.15 0.00 0.00 55.06 55.80 1u21 s HIS 88 Cb 0.03 -2.44 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 1u21 s HIS 88 CO 0.82 0.39 1.50 0.93 -0.85 0.00 0.00 174.74 177.53 1u21 h GLU 89 N 3.48 0.78 -2.58 1.40 4.39 -1.97 -3.36 114.58 116.72 1u21 h GLU 89 Ca -0.48 -0.34 0.13 0.00 0.34 0.00 0.00 59.36 59.01 1u21 h GLU 89 Cb 1.19 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.76 1u21 h GLU 89 CO 0.66 0.96 0.42 -3.38 -1.16 0.00 0.00 179.01 176.50 1u21 s HIS 90 N -4.64 -0.08 -0.11 4.33 -3.43 -1.26 -3.05 115.29 107.04 1u21 s HIS 90 Ca -0.12 -0.31 -0.03 0.00 -0.80 0.00 0.00 55.06 53.80 1u21 s HIS 90 Cb 0.10 0.69 -0.03 0.00 -1.43 0.00 0.00 32.58 31.90 1u21 s HIS 90 CO 0.83 -1.01 0.00 0.00 -2.00 0.00 0.00 174.74 172.56 1u21 s ALA 91 N -3.15 3.25 -0.09 -1.38 0.00 -0.21 -4.89 121.76 115.30 1u21 s ALA 91 Ca 0.14 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1u21 s ALA 91 Cb -0.03 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.55 1u21 s ALA 91 CO 0.05 0.46 -0.17 -1.21 0.00 0.00 0.00 175.76 174.89 1u21 s GLU 92 N -0.47 2.24 -0.17 0.00 2.02 -1.26 -0.25 118.70 120.81 1u21 s GLU 92 Ca 0.08 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.49 1u21 s GLU 92 Cb -0.12 -1.80 0.03 0.00 0.10 0.00 0.00 34.13 32.34 1u21 s GLU 92 CO 0.02 0.05 -0.15 0.08 0.02 0.00 0.00 175.26 175.28 1u21 s VAL 93 N 0.64 1.77 -0.08 2.63 1.01 0.68 -4.94 120.40 122.11 1u21 s VAL 93 Ca -0.14 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1u21 s VAL 93 Cb -0.16 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1u21 s VAL 93 CO 0.04 0.42 -0.21 -0.69 0.00 0.00 0.00 175.10 174.66 1u21 s VAL 94 N 1.39 1.80 -0.01 2.92 1.01 -1.26 0.03 120.40 126.29 1u21 s VAL 94 Ca 0.03 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1u21 s VAL 94 Cb -0.14 -1.56 0.07 0.00 0.00 0.00 0.00 36.38 34.75 1u21 s VAL 94 CO -0.11 0.50 0.65 0.72 0.00 0.00 0.00 175.10 176.87 1u21 s PHE 95 N 0.27 -0.62 0.19 5.22 -0.71 -0.30 -4.99 117.98 117.04 1u21 s PHE 95 Ca -0.14 0.95 -0.29 0.00 -1.04 0.00 0.00 56.93 56.41 1u21 s PHE 95 Cb -0.16 0.43 -0.08 0.00 -1.21 0.00 0.00 43.02 42.00 1u21 s PHE 95 CO 0.06 -0.65 0.92 0.99 -1.34 0.00 0.00 175.22 175.21 1u21 s THR 96 N -1.68 4.24 0.03 -4.49 2.01 -1.26 -0.48 115.64 114.02 1u21 s THR 96 Ca -0.09 2.03 0.07 0.00 0.31 0.00 0.00 61.69 64.01 1u21 s THR 96 Cb -0.00 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 1u21 s THR 96 CO 0.06 0.45 -0.20 0.00 -0.69 0.00 0.00 174.62 174.23 1u21 s ALA 97 N -0.83 1.72 -1.42 7.40 0.00 -0.39 -4.83 121.76 123.41 1u21 s ALA 97 Ca 0.42 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1u21 s ALA 97 Cb -0.25 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1u21 s ALA 97 CO 0.30 0.39 0.00 0.09 0.00 0.00 0.00 175.76 176.55 1u21 n ASN 98 N 1.99 -4.60 0.14 0.00 3.02 -1.26 -2.47 115.26 112.08 1u21 n ASN 98 Ca -0.17 0.23 0.13 0.00 -0.03 0.00 0.00 54.58 54.74 1u21 n ASN 98 Cb 0.53 -3.50 0.41 0.00 -0.61 0.00 0.00 39.78 36.61 1u21 n ASN 98 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1u21 h ASP 99 N 0.00 0.00 -0.69 6.41 3.58 -1.92 -2.84 116.42 120.96 1u21 h ASP 99 Ca -0.31 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.65 1u21 h ASP 99 Cb 1.04 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.74 1u21 h ASP 99 CO 0.42 0.00 -0.47 -1.20 -2.88 0.00 0.00 179.24 175.11 1u21 n SER 100 N -2.46 4.87 0.00 2.28 7.64 -1.26 -5.08 113.62 119.60 1u21 n SER 100 Ca 0.04 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.15 1u21 n SER 100 Cb 0.40 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1u21 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u21 n GLY 101 N -0.81 1.22 3.74 0.23 0.00 -1.07 -4.98 105.19 103.51 1u21 n GLY 101 Ca 0.44 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1u21 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u21 s PRO 102 N -2.06 4.28 0.27 1.61 0.04 -1.26 -4.21 135.00 133.68 1u21 s PRO 102 Ca 0.00 2.25 0.04 0.00 0.04 0.00 0.00 61.00 63.32 1u21 s PRO 102 Cb 0.00 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 1u21 s PRO 102 CO 0.00 -0.42 0.02 1.03 0.04 0.00 0.00 177.00 177.67 1u21 s ARG 103 N 0.02 1.46 -0.20 4.56 1.81 -1.26 -4.58 118.95 120.76 1u21 s ARG 103 Ca 0.61 -1.77 -0.08 0.00 -1.72 0.00 0.00 55.73 52.77 1u21 s ARG 103 Cb -0.41 -0.70 -0.04 0.00 -0.45 0.00 0.00 34.95 33.36 1u21 s ARG 103 CO 0.39 -0.14 0.08 1.03 -0.68 0.00 0.00 175.30 175.99 1u21 s ARG 104 N -3.88 3.96 -0.13 3.54 0.52 -0.08 -4.82 118.95 118.06 1u21 s ARG 104 Ca 0.32 -0.35 -0.00 0.00 -0.52 0.00 0.00 55.73 55.18 1u21 s ARG 104 Cb 0.07 -3.28 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 1u21 s ARG 104 CO 0.12 0.19 -0.13 0.71 0.02 0.00 0.00 175.30 176.21 1u21 s TYR 105 N 0.63 2.82 -0.20 -0.53 1.51 0.02 -1.30 117.35 120.30 1u21 s TYR 105 Ca 0.04 -0.64 -0.02 0.00 -1.01 0.00 0.00 57.07 55.44 1u21 s TYR 105 Cb -0.13 -1.85 -0.00 0.00 -0.11 0.00 0.00 41.96 39.87 1u21 s TYR 105 CO 0.01 -0.21 -0.10 0.99 -1.11 0.00 0.00 175.55 175.14 1u21 s THR 106 N 0.36 2.97 -0.38 -0.71 2.01 -0.16 -0.97 115.64 118.76 1u21 s THR 106 Ca -0.11 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 1u21 s THR 106 Cb -0.16 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.07 1u21 s THR 106 CO 0.06 0.47 0.22 -0.63 -0.69 0.00 0.00 174.62 174.04 1u21 s ILE 107 N 1.27 4.52 -0.07 1.82 -1.09 0.38 -1.19 121.20 126.85 1u21 s ILE 107 Ca 0.03 -0.96 -0.04 0.00 -2.23 0.00 0.00 60.65 57.46 1u21 s ILE 107 Cb -0.14 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1u21 s ILE 107 CO -0.05 -0.29 0.11 0.00 -1.23 0.00 0.00 174.94 173.48 1u21 s ALA 108 N 1.53 3.71 -0.03 9.38 0.00 -0.30 -0.67 121.76 135.38 1u21 s ALA 108 Ca 0.02 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1u21 s ALA 108 Cb -0.20 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.16 1u21 s ALA 108 CO 0.06 0.65 -0.05 0.00 0.00 0.00 0.00 175.76 176.42 1u21 s ALA 109 N -1.08 0.61 -0.24 0.00 0.00 0.33 -1.42 121.76 119.95 1u21 s ALA 109 Ca 0.18 -0.08 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 1u21 s ALA 109 Cb -0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1u21 s ALA 109 CO 0.08 0.03 0.05 -1.17 0.00 0.00 0.00 175.76 174.75 1u21 s LEU 110 N 0.65 3.35 -0.11 0.00 2.96 0.03 -0.76 118.68 124.80 1u21 s LEU 110 Ca -0.08 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1u21 s LEU 110 Cb -0.12 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1u21 s LEU 110 CO 0.00 -0.02 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.19 1u21 s LEU 111 N 1.51 3.17 0.11 -0.68 1.43 0.65 -1.75 118.68 123.13 1u21 s LEU 111 Ca 0.06 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1u21 s LEU 111 Cb -0.15 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1u21 s LEU 111 CO 0.02 0.27 -0.09 -0.44 0.23 0.00 0.00 176.35 176.34 1u21 s SER 112 N -0.24 1.48 0.31 2.29 0.01 0.80 -0.50 113.70 117.85 1u21 s SER 112 Ca 0.03 -0.94 0.07 0.00 1.31 0.00 0.00 55.95 56.43 1u21 s SER 112 Cb -0.13 0.03 0.79 0.00 0.21 0.00 0.00 66.02 66.92 1u21 s SER 112 CO 0.03 -0.34 1.76 -0.65 0.41 0.00 0.00 173.24 174.44 1u21 h PRO 113 N 3.12 0.68 -0.14 12.44 0.11 -1.99 -2.71 132.00 143.52 1u21 h PRO 113 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1u21 h PRO 113 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1u21 h PRO 113 CO 0.60 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 179.50 1u21 n TYR 114 N -4.79 0.29 -3.71 0.65 4.02 -1.26 -1.07 117.16 111.28 1u21 n TYR 114 Ca 0.24 -0.68 -0.14 0.00 -0.01 0.00 0.00 57.90 57.32 1u21 n TYR 114 Cb 0.63 -0.11 -0.09 0.00 -0.02 0.00 0.00 39.34 39.75 1u21 n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1u21 s SER 115 N -1.59 -0.39 0.08 7.72 0.15 -1.02 -4.94 113.70 113.71 1u21 s SER 115 Ca 0.21 0.57 -0.07 0.00 0.70 0.00 0.00 55.95 57.36 1u21 s SER 115 Cb 0.15 0.64 -0.01 0.00 -1.71 0.00 0.00 66.02 65.09 1u21 s SER 115 CO 0.06 -0.32 0.14 -0.72 1.20 0.00 0.00 173.24 173.60 1u21 s TYR 116 N -0.54 0.22 0.14 3.44 -0.85 -1.26 -0.14 117.35 118.35 1u21 s TYR 116 Ca -0.07 -0.65 0.09 0.00 -0.52 0.00 0.00 57.07 55.92 1u21 s TYR 116 Cb -0.03 -0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.14 1u21 s TYR 116 CO 0.03 -0.50 -0.20 -1.54 -1.52 0.00 0.00 175.55 171.82 1u21 s SER 117 N -2.80 2.71 -0.00 -0.18 1.04 -0.72 -4.98 113.70 108.77 1u21 s SER 117 Ca 0.04 -0.78 -0.00 0.00 0.48 0.00 0.00 55.95 55.69 1u21 s SER 117 Cb 0.05 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1u21 s SER 117 CO -0.10 0.03 0.01 0.28 0.98 0.00 0.00 173.24 174.43 1u21 s THR 118 N -1.57 -0.00 0.04 2.02 -1.32 -1.26 -0.79 115.64 112.76 1u21 s THR 118 Ca 0.12 0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.63 1u21 s THR 118 Cb -0.08 -0.02 -0.03 0.00 -1.51 0.00 0.00 72.50 70.87 1u21 s THR 118 CO 0.06 0.01 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.52 1u21 s THR 119 N 0.07 0.44 -0.06 5.08 2.01 -0.51 -5.00 115.64 117.67 1u21 s THR 119 Ca -0.01 -1.13 0.06 0.00 0.31 0.00 0.00 61.69 60.92 1u21 s THR 119 Cb -0.01 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 1u21 s THR 119 CO -0.00 -0.47 -0.25 0.00 -0.69 0.00 0.00 174.62 173.21 1u21 s ALA 120 N -1.66 2.18 -0.23 7.40 0.00 -1.26 -1.15 121.76 127.03 1u21 s ALA 120 Ca -0.09 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 1u21 s ALA 120 Cb -0.08 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.36 1u21 s ALA 120 CO -0.01 0.41 -0.06 0.08 0.00 0.00 0.00 175.76 176.18 1u21 s VAL 121 N -0.15 3.04 -0.16 0.00 1.01 -0.33 -4.97 120.40 118.84 1u21 s VAL 121 Ca -0.04 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1u21 s VAL 121 Cb -0.14 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1u21 s VAL 121 CO 0.04 0.32 -0.18 -0.69 0.00 0.00 0.00 175.10 174.59 1u21 s VAL 122 N 1.39 2.41 0.13 2.92 1.01 -1.26 -0.99 120.40 126.02 1u21 s VAL 122 Ca 0.03 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.23 1u21 s VAL 122 Cb -0.15 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1u21 s VAL 122 CO -0.05 0.53 -0.16 0.42 0.00 0.00 0.00 175.10 175.84 1u21 s THR 123 N 0.90 1.47 -0.36 3.92 -4.23 -0.42 -4.97 115.64 111.96 1u21 s THR 123 Ca -0.04 -1.74 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 1u21 s THR 123 Cb -0.15 -1.59 0.01 0.00 1.34 0.00 0.00 72.50 72.10 1u21 s THR 123 CO -0.02 -0.36 0.23 0.21 -0.54 0.00 0.00 174.62 174.14 1u21 s ASN 124 N -2.44 5.89 0.00 3.99 3.84 -1.26 -0.90 114.94 124.07 1u21 s ASN 124 Ca 0.10 -0.71 0.00 0.00 0.21 0.00 0.00 52.86 52.46 1u21 s ASN 124 Cb -0.06 -2.09 0.00 0.00 -0.55 0.00 0.00 41.25 38.55 1u21 s ASN 124 CO 0.04 -0.32 0.36 -0.81 -2.79 0.00 0.00 177.10 173.58