#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3h s SER 2 N 0.00 -0.09 0.09 1.61 1.04 -1.26 -5.18 113.70 109.91 1x3h s SER 2 Ca 0.00 -0.70 -0.26 0.00 0.48 0.00 0.00 55.95 55.47 1x3h s SER 2 Cb 0.00 0.50 0.09 0.00 0.10 0.00 0.00 66.02 66.71 1x3h s SER 2 CO 0.00 -0.97 1.14 -0.55 0.98 0.00 0.00 173.24 173.84 1x3h s SER 3 N -2.93 -0.02 0.00 7.02 0.15 -1.26 -5.18 113.70 111.49 1x3h s SER 3 Ca 0.14 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1x3h s SER 3 Cb 0.01 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1x3h s SER 3 CO -0.01 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1x3h n GLY 4 N -0.71 3.85 3.11 9.45 0.00 -1.26 -5.18 105.19 114.45 1x3h n GLY 4 Ca -0.02 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 1x3h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3h s SER 5 N 0.00 0.92 -0.06 1.61 0.01 -1.26 -5.16 113.70 109.76 1x3h s SER 5 Ca 0.00 -0.81 -0.05 0.00 1.31 0.00 0.00 55.95 56.40 1x3h s SER 5 Cb 0.00 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.33 1x3h s SER 5 CO 0.00 -0.37 0.16 -0.55 0.41 0.00 0.00 173.24 172.89 1x3h s SER 6 N -2.41 -0.16 0.00 2.44 0.15 -1.26 -5.03 113.70 107.43 1x3h s SER 6 Ca 0.02 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1x3h s SER 6 Cb -0.01 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1x3h s SER 6 CO -0.03 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1x3h n GLY 7 N 3.23 -0.22 3.50 9.45 0.00 -1.26 -5.10 105.19 114.79 1x3h n GLY 7 Ca -0.15 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1x3h n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x3h s LYS 8 N 0.00 3.21 -0.12 1.61 1.02 -1.26 -4.97 119.74 119.23 1x3h s LYS 8 Ca 0.00 -0.71 -0.02 0.00 0.02 0.00 0.00 55.97 55.26 1x3h s LYS 8 Cb 0.00 -4.35 0.04 0.00 -0.52 0.00 0.00 37.83 33.00 1x3h s LYS 8 CO 0.00 -1.97 0.01 0.16 -0.92 0.00 0.00 175.35 172.64 1x3h s ASP 9 N 3.80 2.12 -0.19 2.83 -4.77 -1.26 -5.02 116.67 114.19 1x3h s ASP 9 Ca 0.29 -0.38 -0.15 0.00 -3.30 0.00 0.00 52.55 49.01 1x3h s ASP 9 Cb -0.11 -0.51 -0.21 0.00 -1.09 0.00 0.00 42.92 41.00 1x3h s ASP 9 CO 0.09 -0.23 0.19 0.33 0.70 0.00 0.00 175.17 176.24 1x3h n PHE 10 N 5.10 0.96 -3.44 2.11 -0.00 -1.26 -4.92 117.46 116.02 1x3h n PHE 10 Ca -0.08 0.33 -0.11 0.00 -0.00 0.00 0.00 57.45 57.59 1x3h n PHE 10 Cb 0.49 -1.11 -0.10 0.00 -0.00 0.00 0.00 39.48 38.77 1x3h n PHE 10 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1x3h s LEU 11 N -7.53 -0.50 -0.12 -2.13 1.43 -1.26 -5.03 118.68 103.54 1x3h s LEU 11 Ca -0.28 0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1x3h s LEU 11 Cb 0.07 0.96 -0.06 0.00 0.03 0.00 0.00 46.19 47.19 1x3h s LEU 11 CO 0.64 -0.29 -0.14 0.00 0.23 0.00 0.00 176.35 176.78 1x3h n ALA 12 N 5.36 2.12 -2.75 4.21 0.00 -1.26 -5.03 120.51 123.15 1x3h n ALA 12 Ca -0.05 -0.48 -0.31 0.00 0.00 0.00 0.00 53.44 52.60 1x3h n ALA 12 Cb 0.50 0.32 -0.07 0.00 0.00 0.00 0.00 19.45 20.20 1x3h n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x3h s MET 13 N -2.22 2.86 -0.06 0.00 0.23 -1.26 -5.03 119.30 113.82 1x3h s MET 13 Ca -0.16 -0.66 -0.01 0.00 -1.03 0.00 0.00 55.69 53.83 1x3h s MET 13 Cb 0.06 -2.72 -0.03 0.00 -1.53 0.00 0.00 34.83 30.61 1x3h s MET 13 CO 0.22 0.59 -0.06 0.34 -2.03 0.00 0.00 175.02 174.08 1x3h n PHE 14 N 0.76 0.00 -1.55 3.16 -0.00 -1.26 -5.04 117.46 113.52 1x3h n PHE 14 Ca -0.11 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.93 1x3h n PHE 14 Cb 0.52 -0.21 0.01 0.00 -0.00 0.00 0.00 39.48 39.80 1x3h n PHE 14 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1x3h n SER 15 N -2.96 0.45 -2.98 -2.13 2.88 -1.26 -4.98 113.62 102.63 1x3h n SER 15 Ca -0.11 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1x3h n SER 15 Cb 0.59 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1x3h n SER 15 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1x3h n PRO 16 N 0.20 -0.09 -3.85 -1.46 -0.04 -1.26 -4.90 135.00 123.61 1x3h n PRO 16 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1x3h n PRO 16 Cb 0.40 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.77 1x3h n PRO 16 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1x3h s LYS 17 N -1.61 0.65 0.38 0.54 1.02 -1.26 -3.31 119.74 116.15 1x3h s LYS 17 Ca 0.00 -0.56 -0.27 0.00 0.02 0.00 0.00 55.97 55.15 1x3h s LYS 17 Cb 0.00 0.27 -0.10 0.00 -0.52 0.00 0.00 37.83 37.48 1x3h s LYS 17 CO 0.00 -0.18 1.34 0.00 -0.92 0.00 0.00 175.35 175.59 1x3h n GLY 19 N 0.67 2.43 2.13 0.00 0.00 -1.07 -2.31 105.19 107.03 1x3h n GLY 19 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1x3h n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x3h n GLY 20 N 1.40 -1.10 0.10 -0.02 0.00 -1.26 -4.92 105.19 99.39 1x3h n GLY 20 Ca 0.00 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1x3h n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3h n ASN 22 N -1.17 -5.58 -4.81 0.00 3.02 -0.98 -4.98 115.26 100.76 1x3h n ASN 22 Ca 0.07 -0.14 -0.26 0.00 -0.03 0.00 0.00 54.58 54.22 1x3h n ASN 22 Cb 0.35 -4.52 -0.05 0.00 -0.61 0.00 0.00 39.78 34.95 1x3h n ASN 22 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x3h s ARG 23 N -5.26 2.96 0.01 3.52 0.52 -1.26 -4.76 118.95 114.68 1x3h s ARG 23 Ca 0.14 -0.83 -0.30 0.00 -0.52 0.00 0.00 55.73 54.22 1x3h s ARG 23 Cb -0.06 -2.69 -0.06 0.00 0.52 0.00 0.00 34.95 32.66 1x3h s ARG 23 CO 0.17 0.49 1.44 -1.25 0.02 0.00 0.00 175.30 176.17 1x3h s PRO 24 N -3.07 4.27 -0.18 3.54 0.04 -1.26 0.10 135.00 138.44 1x3h s PRO 24 Ca 0.31 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 1x3h s PRO 24 Cb -0.10 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 1x3h s PRO 24 CO 0.24 -0.60 -0.02 0.14 0.04 0.00 0.00 177.00 176.80 1x3h s VAL 25 N 2.44 3.91 0.05 -0.36 -7.23 -1.21 -4.90 120.40 113.09 1x3h s VAL 25 Ca 0.65 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 1x3h s VAL 25 Cb -0.33 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 33.88 1x3h s VAL 25 CO 0.27 0.46 0.00 0.18 -0.31 0.00 0.00 175.10 175.71 1x3h n LEU 26 N 3.89 0.14 -4.73 1.32 4.77 -1.26 -4.60 117.00 116.53 1x3h n LEU 26 Ca -0.17 0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.53 1x3h n LEU 26 Cb 0.52 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 1x3h n LEU 26 CO 0.32 -0.35 -0.27 -1.83 -1.33 0.00 0.00 177.39 173.94 1x3h s GLU 27 N -2.00 3.22 -1.21 3.23 4.04 -1.26 -4.55 118.70 120.16 1x3h s GLU 27 Ca 0.00 -0.33 -0.03 0.00 0.04 0.00 0.00 54.97 54.65 1x3h s GLU 27 Cb 0.00 -2.94 -0.01 0.00 0.02 0.00 0.00 34.13 31.19 1x3h s GLU 27 CO 0.00 0.68 0.83 0.09 -1.84 0.00 0.00 175.26 175.02 1x3h n ASN 28 N 2.25 -2.90 -4.44 0.83 4.13 -1.26 -5.00 115.26 108.87 1x3h n ASN 28 Ca -0.19 -0.77 -0.30 0.00 1.68 0.00 0.00 54.58 55.01 1x3h n ASN 28 Cb 0.54 -4.49 -0.12 0.00 -1.54 0.00 0.00 39.78 34.16 1x3h n ASN 28 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1x3h s TYR 29 N -3.51 2.47 0.41 3.10 1.13 -1.26 -4.10 117.35 115.59 1x3h s TYR 29 Ca 0.14 -0.30 0.08 0.00 -1.41 0.00 0.00 57.07 55.58 1x3h s TYR 29 Cb -0.03 -1.36 0.00 0.00 -1.10 0.00 0.00 41.96 39.47 1x3h s TYR 29 CO 0.78 0.31 0.52 -0.51 -2.51 0.00 0.00 175.55 174.15 1x3h s LEU 30 N -1.84 3.66 -0.32 -3.49 1.02 -0.94 -4.93 118.68 111.84 1x3h s LEU 30 Ca 0.16 -0.44 -0.01 0.00 0.02 0.00 0.00 54.13 53.86 1x3h s LEU 30 Cb -0.10 -2.58 0.11 0.00 0.02 0.00 0.00 46.19 43.64 1x3h s LEU 30 CO 0.07 -0.69 0.13 -0.44 0.02 0.00 0.00 176.35 175.44 1x3h s SER 31 N -4.29 3.77 0.14 2.29 0.01 -1.26 -1.86 113.70 112.51 1x3h s SER 31 Ca 0.52 -1.70 0.05 0.00 1.31 0.00 0.00 55.95 56.13 1x3h s SER 31 Cb -0.09 -0.71 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 1x3h s SER 31 CO 0.32 -0.40 -0.11 0.00 0.41 0.00 0.00 173.24 173.46 1x3h s ALA 32 N 1.56 1.44 -1.57 1.44 0.00 0.14 -4.82 121.76 119.95 1x3h s ALA 32 Ca 0.11 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 1x3h s ALA 32 Cb -0.18 0.01 0.09 0.00 0.00 0.00 0.00 23.12 23.03 1x3h s ALA 32 CO -0.23 -0.04 0.65 -1.33 0.00 0.00 0.00 175.76 174.81 1x3h n MET 33 N 0.06 -3.43 -2.07 0.00 2.81 -1.26 0.90 117.12 114.13 1x3h n MET 33 Ca -0.12 0.40 -0.16 0.00 -1.81 0.00 0.00 57.70 56.01 1x3h n MET 33 Cb 0.59 -4.89 -0.03 0.00 -0.71 0.00 0.00 33.22 28.18 1x3h n MET 33 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1x3h n ASP 34 N -2.81 -4.67 -2.47 7.83 8.00 -1.26 -4.91 116.55 116.26 1x3h n ASP 34 Ca -0.09 0.21 -0.12 0.00 0.71 0.00 0.00 54.79 55.50 1x3h n ASP 34 Cb 0.57 -4.03 -0.04 0.00 -0.02 0.00 0.00 41.12 37.61 1x3h n ASP 34 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1x3h n THR 35 N -3.10 0.00 -4.23 -3.53 5.66 0.26 -5.17 114.28 104.17 1x3h n THR 35 Ca -0.18 -1.46 -0.25 0.00 -3.05 0.00 0.00 64.05 59.10 1x3h n THR 35 Cb 0.61 0.80 -0.07 0.00 -1.55 0.00 0.00 70.33 70.12 1x3h n THR 35 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1x3h s VAL 36 N -2.82 3.71 0.33 1.08 -7.23 -1.26 0.25 120.40 114.46 1x3h s VAL 36 Ca 0.24 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1x3h s VAL 36 Cb 0.00 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1x3h s VAL 36 CO 0.17 -0.22 0.39 0.26 -0.31 0.00 0.00 175.10 175.39 1x3h s TRP 37 N -1.96 1.34 -0.05 2.82 0.52 -0.78 -2.61 118.94 118.22 1x3h s TRP 37 Ca 0.29 -1.44 -0.01 0.00 0.02 0.00 0.00 56.10 54.96 1x3h s TRP 37 Cb -0.08 -0.34 -0.04 0.00 -1.15 0.00 0.00 33.47 31.86 1x3h s TRP 37 CO 0.20 -1.02 0.04 -1.01 0.02 0.00 0.00 176.95 175.18 1x3h s HIS 38 N -3.23 3.23 -2.00 -1.98 3.76 -1.26 -2.22 115.29 111.59 1x3h s HIS 38 Ca 0.35 0.22 0.02 0.00 -0.15 0.00 0.00 55.06 55.49 1x3h s HIS 38 Cb 0.01 -1.77 0.13 0.00 1.11 0.00 0.00 32.58 32.06 1x3h s HIS 38 CO 0.23 0.52 0.60 -0.35 -0.85 0.00 0.00 174.74 174.90 1x3h n PRO 39 N 1.71 0.49 0.00 8.40 -0.04 -1.26 -1.29 135.00 143.01 1x3h n PRO 39 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1x3h n PRO 39 Cb 0.53 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1x3h n PRO 39 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x3h n GLU 40 N -0.57 2.56 -0.04 0.54 0.28 -1.26 -4.84 120.64 117.31 1x3h n GLU 40 Ca 0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.80 1x3h n GLU 40 Cb 0.01 -0.82 -0.13 0.00 1.43 0.00 0.00 31.44 31.92 1x3h n GLU 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x3h n PHE 42 N -4.03 0.54 -4.21 0.00 7.35 -0.41 -4.79 117.46 111.91 1x3h n PHE 42 Ca -0.29 -0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.22 1x3h n PHE 42 Cb 0.84 -1.49 -0.07 0.00 0.35 0.00 0.00 39.48 39.11 1x3h n PHE 42 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x3h s VAL 43 N 6.91 0.00 0.94 -2.13 -7.23 -1.26 -4.02 120.40 113.61 1x3h s VAL 43 Ca 1.14 -1.85 -0.11 0.00 -1.81 0.00 0.00 61.98 59.35 1x3h s VAL 43 Cb -0.52 -2.56 0.15 0.00 0.56 0.00 0.00 36.38 34.00 1x3h s VAL 43 CO 0.35 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 176.23 1x3h n GLY 45 N -0.59 -1.13 0.05 0.00 0.00 -1.22 -3.31 105.19 98.99 1x3h n GLY 45 Ca 0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 1x3h n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x3h n ASP 46 N -2.38 1.16 0.19 1.61 9.92 -1.26 -4.64 116.55 121.14 1x3h n ASP 46 Ca -0.03 0.20 0.12 0.00 -0.53 0.00 0.00 54.79 54.55 1x3h n ASP 46 Cb 0.57 -0.64 0.13 0.00 -0.64 0.00 0.00 41.12 40.54 1x3h n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x3h n PHE 48 N -2.98 -2.16 -3.80 0.00 3.72 -1.21 -4.94 117.46 106.09 1x3h n PHE 48 Ca 0.03 0.91 -0.32 0.00 -0.05 0.00 0.00 57.45 58.02 1x3h n PHE 48 Cb 0.53 -4.75 -0.05 0.00 -0.94 0.00 0.00 39.48 34.27 1x3h n PHE 48 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1x3h s THR 49 N -3.47 5.31 0.40 4.37 -1.32 -1.26 -4.62 115.64 115.04 1x3h s THR 49 Ca 0.10 -0.10 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 1x3h s THR 49 Cb -0.05 -3.60 -0.09 0.00 -1.51 0.00 0.00 72.50 67.26 1x3h s THR 49 CO 0.77 0.19 1.13 -0.55 -2.21 0.00 0.00 174.62 173.94 1x3h s SER 50 N -2.22 6.60 -0.66 8.08 0.15 -1.26 -2.20 113.70 122.19 1x3h s SER 50 Ca 0.34 2.25 -0.02 0.00 0.70 0.00 0.00 55.95 59.22 1x3h s SER 50 Cb -0.13 -2.61 0.45 0.00 -1.71 0.00 0.00 66.02 62.03 1x3h s SER 50 CO 0.23 -0.62 2.02 0.49 1.20 0.00 0.00 173.24 176.56 1x3h n PHE 51 N 0.04 3.23 0.10 3.44 3.72 -1.26 -4.67 117.46 122.06 1x3h n PHE 51 Ca 0.04 -3.00 -0.13 0.00 -0.05 0.00 0.00 57.45 54.32 1x3h n PHE 51 Cb 0.47 -1.43 -0.07 0.00 -0.94 0.00 0.00 39.48 37.52 1x3h n PHE 51 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1x3h h SER 52 N 1.99 -0.22 -3.50 4.37 0.02 -1.92 -3.38 113.55 110.90 1x3h h SER 52 Ca 0.61 0.02 -0.70 0.00 -0.84 0.00 0.00 61.79 60.88 1x3h h SER 52 Cb 0.86 0.07 -0.33 0.00 0.14 0.00 0.00 62.40 63.15 1x3h h SER 52 CO 1.57 -0.14 -0.54 0.42 -1.14 0.00 0.00 176.83 177.00 1x3h s THR 53 N -6.16 3.48 0.00 -2.27 -4.23 -1.26 -5.00 115.64 100.20 1x3h s THR 53 Ca -0.14 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1x3h s THR 53 Cb 0.06 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.62 1x3h s THR 53 CO 0.66 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1x3h n GLY 54 N 4.68 4.07 3.59 3.99 0.00 -1.26 -5.05 105.19 115.21 1x3h n GLY 54 Ca -0.06 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 1x3h n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3h s SER 55 N 0.00 6.60 1.07 1.61 0.01 -1.26 -4.92 113.70 116.81 1x3h s SER 55 Ca 0.00 0.38 -0.17 0.00 1.31 0.00 0.00 55.95 57.47 1x3h s SER 55 Cb 0.00 -2.47 0.07 0.00 0.21 0.00 0.00 66.02 63.83 1x3h s SER 55 CO 0.00 -1.00 0.05 2.22 0.41 0.00 0.00 173.24 174.92 1x3h n PHE 56 N 7.11 -1.51 -4.11 2.43 -1.74 -1.26 -4.88 117.46 113.49 1x3h n PHE 56 Ca 0.08 0.18 -0.24 0.00 -0.56 0.00 0.00 57.45 56.90 1x3h n PHE 56 Cb 0.48 -1.62 -0.17 0.00 1.52 0.00 0.00 39.48 39.70 1x3h n PHE 56 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 1x3h s PHE 57 N -2.27 1.19 -0.06 2.97 0.08 -1.10 -5.02 117.98 113.78 1x3h s PHE 57 Ca 0.55 -0.49 -0.26 0.00 0.12 0.00 0.00 56.93 56.86 1x3h s PHE 57 Cb -0.14 -1.00 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 1x3h s PHE 57 CO 0.67 -0.36 0.82 -2.00 -0.10 0.00 0.00 175.22 174.25 1x3h s GLU 58 N 1.32 4.46 -0.18 0.44 2.12 -1.26 -1.63 118.70 123.96 1x3h s GLU 58 Ca -0.03 1.09 -0.05 0.00 0.36 0.00 0.00 54.97 56.34 1x3h s GLU 58 Cb -0.14 -3.47 0.07 0.00 0.26 0.00 0.00 34.13 30.85 1x3h s GLU 58 CO -0.03 -0.04 0.14 -1.17 -0.54 0.00 0.00 175.26 173.62 1x3h s LEU 59 N 1.09 0.18 -0.96 2.70 2.96 -0.22 -4.83 118.68 119.60 1x3h s LEU 59 Ca 0.43 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 1x3h s LEU 59 Cb -0.19 -0.02 0.00 0.00 0.50 0.00 0.00 46.19 46.49 1x3h s LEU 59 CO 0.20 -0.34 0.00 -0.67 -1.32 0.00 0.00 176.35 174.22 1x3h n ASP 60 N 5.29 -3.69 0.00 3.68 2.03 -1.26 -2.27 116.55 120.33 1x3h n ASP 60 Ca -0.06 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1x3h n ASP 60 Cb 0.49 -2.75 0.00 0.00 -0.72 0.00 0.00 41.12 38.14 1x3h n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x3h n GLY 61 N -1.16 2.47 3.58 0.27 0.00 -1.26 -5.01 105.19 104.09 1x3h n GLY 61 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1x3h n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x3h s ARG 62 N -0.20 2.73 0.54 1.61 3.00 -0.96 -5.06 118.95 120.61 1x3h s ARG 62 Ca 0.00 -0.56 -0.20 0.00 0.00 0.00 0.00 55.73 54.98 1x3h s ARG 62 Cb 0.00 -2.59 -0.06 0.00 0.00 0.00 0.00 34.95 32.31 1x3h s ARG 62 CO 0.00 0.66 1.13 -1.25 0.00 0.00 0.00 175.30 175.84 1x3h s PRO 63 N -0.86 3.37 0.19 3.54 0.04 -1.26 -1.06 135.00 138.96 1x3h s PRO 63 Ca 0.13 1.61 -0.20 0.00 0.04 0.00 0.00 61.00 62.58 1x3h s PRO 63 Cb -0.11 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1x3h s PRO 63 CO 0.02 -0.84 0.56 -0.06 0.04 0.00 0.00 177.00 176.72 1x3h s PHE 64 N -1.77 -0.29 -0.11 0.56 0.08 -0.65 -3.45 117.98 112.36 1x3h s PHE 64 Ca 0.73 -0.02 -0.18 0.00 0.12 0.00 0.00 56.93 57.58 1x3h s PHE 64 Cb -0.24 0.48 -0.04 0.00 -0.57 0.00 0.00 43.02 42.64 1x3h s PHE 64 CO 0.27 -0.91 0.46 0.00 -0.10 0.00 0.00 175.22 174.94 1x3h n GLU 66 N 3.51 -0.14 -0.19 0.00 2.13 -1.26 0.31 120.64 125.00 1x3h n GLU 66 Ca -0.08 0.61 -0.05 0.00 0.66 0.00 0.00 57.16 58.31 1x3h n GLU 66 Cb 0.52 -0.91 -0.05 0.00 0.27 0.00 0.00 31.44 31.27 1x3h n GLU 66 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1x3h n LEU 67 N -4.55 -0.48 -0.05 4.31 7.94 -1.26 -1.44 117.00 121.47 1x3h n LEU 67 Ca 0.02 1.25 -0.13 0.00 -1.11 0.00 0.00 56.01 56.04 1x3h n LEU 67 Cb 0.13 -0.32 -0.07 0.00 0.53 0.00 0.00 43.42 43.69 1x3h n LEU 67 CO -0.06 -0.88 0.63 0.45 -1.11 0.00 0.00 177.39 176.42 1x3h h HIS 68 N 0.00 0.35 -0.19 1.96 3.86 -0.54 -3.20 115.15 117.39 1x3h h HIS 68 Ca 0.07 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1x3h h HIS 68 Cb 0.19 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1x3h h HIS 68 CO -0.88 0.67 -0.11 0.98 0.86 0.00 0.00 177.93 179.45 1x3h n TYR 69 N -4.63 -0.08 0.22 2.45 9.36 0.10 -0.23 117.16 124.36 1x3h n TYR 69 Ca -0.06 0.23 -0.17 0.00 3.32 0.00 0.00 57.90 61.22 1x3h n TYR 69 Cb 0.32 -0.39 -0.09 0.00 -0.63 0.00 0.00 39.34 38.55 1x3h n TYR 69 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1x3h h HIS 70 N 0.00 -1.38 -0.93 2.98 3.86 -1.42 -2.37 115.15 115.88 1x3h h HIS 70 Ca 0.03 0.02 0.20 0.00 -1.16 0.00 0.00 60.37 59.46 1x3h h HIS 70 Cb 0.08 0.56 -0.18 0.00 1.06 0.00 0.00 27.41 28.93 1x3h h HIS 70 CO -0.62 -0.62 -0.17 1.58 0.86 0.00 0.00 177.93 178.97 1x3h n HIS 71 N -5.35 0.40 -0.30 2.45 -0.00 -0.02 0.16 115.22 112.56 1x3h n HIS 71 Ca -0.10 1.13 0.03 0.00 -0.00 0.00 0.00 57.72 58.78 1x3h n HIS 71 Cb 0.42 -1.08 0.18 0.00 -0.00 0.00 0.00 29.99 29.51 1x3h n HIS 71 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1x3h h ARG 72 N 0.00 0.80 -0.87 1.57 3.08 -0.09 -1.84 114.38 117.05 1x3h h ARG 72 Ca 0.47 -0.05 0.23 0.00 0.07 0.00 0.00 59.98 60.70 1x3h h ARG 72 Cb 0.80 -0.18 -0.14 0.00 0.08 0.00 0.00 29.97 30.52 1x3h h ARG 72 CO -0.93 0.53 0.16 0.00 -1.07 0.00 0.00 179.97 178.66 1x3h h ARG 73 N 0.83 0.15 -5.85 0.04 2.47 0.19 -3.32 114.38 108.89 1x3h h ARG 73 Ca 0.41 -0.01 -0.60 0.00 -1.26 0.00 0.00 59.98 58.52 1x3h h ARG 73 Cb 0.37 -0.03 -0.12 0.00 -1.65 0.00 0.00 29.97 28.54 1x3h h ARG 73 CO -0.25 0.10 0.65 0.20 0.56 0.00 0.00 179.97 181.24 1x3h s GLY 74 N -3.94 1.31 -0.72 0.04 0.00 -0.69 -4.97 107.32 98.35 1x3h s GLY 74 Ca -0.12 -1.41 -0.26 0.00 0.00 0.00 0.00 44.72 42.93 1x3h s GLY 74 CO 0.77 2.17 1.85 -0.56 0.00 0.00 0.00 173.10 177.33 1x3h s SER 75 N 3.22 5.30 0.00 1.64 0.01 -1.25 -4.71 113.70 117.90 1x3h s SER 75 Ca 0.29 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1x3h s SER 75 Cb -0.13 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1x3h s SER 75 CO 0.16 -2.45 0.00 0.61 0.41 0.00 0.00 173.24 171.98 1x3h n GLY 76 N 6.06 -0.53 0.00 3.44 0.00 -1.26 -4.57 105.19 108.34 1x3h n GLY 76 Ca 0.26 -2.18 0.07 0.00 0.00 0.00 0.00 46.02 44.17 1x3h n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x3h n PRO 77 N 0.00 0.32 -3.61 1.61 -0.04 -1.26 -4.58 135.00 127.44 1x3h n PRO 77 Ca 0.00 0.09 -0.39 0.00 -0.04 0.00 0.00 63.50 63.16 1x3h n PRO 77 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1x3h n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x3h s SER 78 N -2.34 5.75 0.09 3.54 0.15 -1.26 -4.92 113.70 114.70 1x3h s SER 78 Ca 0.18 -0.47 -0.00 0.00 0.70 0.00 0.00 55.95 56.35 1x3h s SER 78 Cb 0.10 -2.05 -0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1x3h s SER 78 CO 0.21 -0.20 -0.01 -0.24 1.20 0.00 0.00 173.24 174.19 1x3h n SER 79 N 5.03 1.07 0.00 5.45 2.88 -1.26 -3.95 113.62 122.84 1x3h n SER 79 Ca -0.13 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x3h n SER 79 Cb 0.49 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1x3h n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42