#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 -0.40 0.10 1.61 0.01 -1.26 -5.19 113.70 108.58 1x3h s SER 2 Ca 0.00 0.33 -0.25 0.00 1.31 0.00 0.00 55.95 57.34 1x3h s SER 2 Cb 0.00 0.35 0.09 0.00 0.21 0.00 0.00 66.02 66.66 1x3h s SER 2 CO 0.00 -0.44 1.13 -0.94 0.41 0.00 0.00 173.24 173.40 1x3h s SER 3 N -1.48 -0.01 0.00 2.44 1.04 -1.26 -5.18 113.70 109.25 1x3h s SER 3 Ca -0.01 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1x3h s SER 3 Cb -0.01 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1x3h s SER 3 CO -0.00 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1x3h n GLY 4 N -0.73 3.97 3.99 7.32 0.00 -1.26 -5.17 105.19 113.31 1x3h n GLY 4 Ca -0.02 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 1x3h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3h s SER 5 N 0.00 5.62 -0.20 1.61 0.15 -1.26 -5.07 113.70 114.55 1x3h s SER 5 Ca 0.00 -0.43 -0.15 0.00 0.70 0.00 0.00 55.95 56.06 1x3h s SER 5 Cb 0.00 -0.72 -0.09 0.00 -1.71 0.00 0.00 66.02 63.50 1x3h s SER 5 CO 0.00 -0.70 -0.23 -0.24 1.20 0.00 0.00 173.24 173.27 1x3h n SER 6 N -1.78 1.90 -2.38 5.45 2.88 -1.26 -5.03 113.62 113.39 1x3h n SER 6 Ca 0.06 0.42 -0.11 0.00 -1.33 0.00 0.00 58.87 57.91 1x3h n SER 6 Cb 0.59 -0.82 0.05 0.00 -0.75 0.00 0.00 64.21 63.28 1x3h n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3h n GLY 7 N 1.44 0.01 3.57 0.46 0.00 -1.26 -4.92 105.19 104.49 1x3h n GLY 7 Ca -0.25 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 -5.14 3.35 -0.59 1.61 1.02 -1.26 -4.85 119.74 113.88 1x3h s LYS 8 Ca 0.12 -1.13 0.05 0.00 0.02 0.00 0.00 55.97 55.03 1x3h s LYS 8 Cb -0.05 -5.32 0.18 0.00 -0.52 0.00 0.00 37.83 32.12 1x3h s LYS 8 CO 0.43 -2.64 0.48 -0.40 -0.92 0.00 0.00 175.35 172.30 1x3h n ASP 9 N 10.40 1.89 -0.07 2.83 5.68 -1.26 -4.92 116.55 131.11 1x3h n ASP 9 Ca 0.39 -2.96 -0.07 0.00 -0.50 0.00 0.00 54.79 51.65 1x3h n ASP 9 Cb 0.49 -0.68 -0.02 0.00 -1.14 0.00 0.00 41.12 39.76 1x3h n ASP 9 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1x3h n PHE 10 N 2.06 0.00 -4.09 2.11 -1.74 -1.26 -4.96 117.46 109.58 1x3h n PHE 10 Ca 0.24 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.80 1x3h n PHE 10 Cb 0.41 -0.40 -0.16 0.00 1.52 0.00 0.00 39.48 40.85 1x3h n PHE 10 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1x3h s LEU 11 N -7.42 2.70 0.02 5.98 2.01 -1.26 -4.98 118.68 115.72 1x3h s LEU 11 Ca -0.23 -0.95 -0.01 0.00 0.01 0.00 0.00 54.13 52.95 1x3h s LEU 11 Cb 0.03 -1.52 -0.00 0.00 0.01 0.00 0.00 46.19 44.71 1x3h s LEU 11 CO 0.34 -0.08 -0.02 0.00 1.01 0.00 0.00 176.35 177.61 1x3h n ALA 12 N 4.55 2.67 -3.82 4.21 0.00 -1.26 -5.03 120.51 121.82 1x3h n ALA 12 Ca -0.18 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 1x3h n ALA 12 Cb 0.47 0.08 -0.16 0.00 0.00 0.00 0.00 19.45 19.84 1x3h n ALA 12 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1x3h s MET 13 N -1.39 1.06 -0.35 0.00 -1.94 -1.26 -5.00 119.30 110.42 1x3h s MET 13 Ca -0.01 -0.94 -0.01 0.00 -1.71 0.00 0.00 55.69 53.02 1x3h s MET 13 Cb 0.00 -2.32 0.26 0.00 2.01 0.00 0.00 34.83 34.78 1x3h s MET 13 CO 0.02 -0.77 1.95 0.34 -0.01 0.00 0.00 175.02 176.55 1x3h n PHE 14 N 4.79 1.74 -4.26 -0.03 7.35 -1.26 -4.90 117.46 120.89 1x3h n PHE 14 Ca -0.07 -1.98 -0.30 0.00 -0.76 0.00 0.00 57.45 54.35 1x3h n PHE 14 Cb 0.44 -0.97 -0.10 0.00 0.35 0.00 0.00 39.48 39.20 1x3h n PHE 14 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1x3h s SER 15 N -0.09 4.17 1.16 -2.13 0.01 -1.26 -5.13 113.70 110.42 1x3h s SER 15 Ca 0.35 -0.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.96 1x3h s SER 15 Cb 0.27 -0.71 0.26 0.00 0.21 0.00 0.00 66.02 66.06 1x3h s SER 15 CO 0.00 0.18 1.11 -2.16 0.41 0.00 0.00 173.24 172.78 1x3h s PRO 16 N -2.19 -0.85 0.07 12.44 0.04 -1.26 -4.99 135.00 138.24 1x3h s PRO 16 Ca 0.20 0.07 -0.13 0.00 0.04 0.00 0.00 61.00 61.18 1x3h s PRO 16 Cb -0.11 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 32.82 1x3h s PRO 16 CO 0.12 -3.49 0.29 0.15 0.04 0.00 0.00 177.00 174.11 1x3h s LYS 17 N -5.30 0.85 0.34 4.56 1.02 -1.26 -3.74 119.74 116.22 1x3h s LYS 17 Ca 0.70 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 1x3h s LYS 17 Cb -0.12 0.36 -0.12 0.00 -0.52 0.00 0.00 37.83 37.44 1x3h s LYS 17 CO 0.56 -0.28 1.41 0.00 -0.92 0.00 0.00 175.35 176.12 1x3h n GLY 19 N 0.94 2.34 1.78 0.00 0.00 -0.92 -1.82 105.19 107.50 1x3h n GLY 19 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.32 -0.25 0.00 -0.02 0.00 -1.26 -4.92 105.19 100.06 1x3h n GLY 20 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.49 -5.74 -4.71 0.00 4.13 -0.76 -4.98 115.26 101.72 1x3h n ASN 22 Ca 0.02 -0.47 -0.26 0.00 1.68 0.00 0.00 54.58 55.55 1x3h n ASN 22 Cb 0.28 -4.46 -0.07 0.00 -1.54 0.00 0.00 39.78 33.99 1x3h n ASN 22 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1x3h s ARG 23 N -6.12 2.57 -0.52 3.52 0.52 -1.26 -4.80 118.95 112.85 1x3h s ARG 23 Ca 0.50 -1.03 -0.27 0.00 -0.52 0.00 0.00 55.73 54.41 1x3h s ARG 23 Cb -0.22 -2.45 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 1x3h s ARG 23 CO 0.64 0.46 1.81 -1.25 0.02 0.00 0.00 175.30 176.98 1x3h s PRO 24 N -2.99 2.90 -0.18 3.54 0.04 -1.26 -1.18 135.00 135.87 1x3h s PRO 24 Ca 0.29 0.86 -0.19 0.00 0.04 0.00 0.00 61.00 62.00 1x3h s PRO 24 Cb -0.10 -4.31 -0.03 0.00 0.04 0.00 0.00 34.50 30.11 1x3h s PRO 24 CO 0.20 -2.40 0.54 0.14 0.04 0.00 0.00 177.00 175.52 1x3h s VAL 25 N 8.17 5.10 0.00 -0.36 -7.23 -1.25 -4.89 120.40 119.95 1x3h s VAL 25 Ca 0.70 1.01 0.00 0.00 -1.81 0.00 0.00 61.98 61.88 1x3h s VAL 25 Cb -0.15 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 32.92 1x3h s VAL 25 CO 0.25 0.20 0.00 0.18 -0.31 0.00 0.00 175.10 175.42 1x3h n LEU 26 N 4.58 0.80 -4.86 1.32 4.77 -1.26 -4.87 117.00 117.49 1x3h n LEU 26 Ca -0.04 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.60 1x3h n LEU 26 Cb 0.51 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1x3h n LEU 26 CO 0.43 0.02 -0.19 -1.83 -1.33 0.00 0.00 177.39 174.49 1x3h s GLU 27 N -1.76 3.31 -1.43 3.23 -1.05 -1.26 -4.52 118.70 115.22 1x3h s GLU 27 Ca 0.00 -0.36 -0.11 0.00 -0.15 0.00 0.00 54.97 54.35 1x3h s GLU 27 Cb 0.00 -3.02 0.01 0.00 -0.44 0.00 0.00 34.13 30.68 1x3h s GLU 27 CO 0.00 0.67 0.26 -1.71 0.95 0.00 0.00 175.26 175.43 1x3h n ASN 28 N 1.10 -0.78 -4.63 0.83 2.85 -1.26 -4.94 115.26 108.43 1x3h n ASN 28 Ca -0.12 -1.25 -0.29 0.00 -0.11 0.00 0.00 54.58 52.81 1x3h n ASN 28 Cb 0.53 -1.82 -0.09 0.00 1.24 0.00 0.00 39.78 39.64 1x3h n ASN 28 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1x3h s TYR 29 N -4.08 2.82 0.35 1.20 1.13 -1.26 -4.12 117.35 113.40 1x3h s TYR 29 Ca 0.15 -0.12 0.07 0.00 -1.41 0.00 0.00 57.07 55.77 1x3h s TYR 29 Cb -0.08 -1.44 -0.02 0.00 -1.10 0.00 0.00 41.96 39.31 1x3h s TYR 29 CO 0.98 0.47 0.32 -0.51 -2.51 0.00 0.00 175.55 174.30 1x3h s LEU 30 N -2.43 3.57 -0.34 -3.49 1.02 -1.01 -4.94 118.68 111.06 1x3h s LEU 30 Ca 0.24 -0.53 -0.00 0.00 0.02 0.00 0.00 54.13 53.86 1x3h s LEU 30 Cb -0.11 -2.21 0.11 0.00 0.02 0.00 0.00 46.19 44.00 1x3h s LEU 30 CO 0.16 -0.43 0.13 -0.44 0.02 0.00 0.00 176.35 175.80 1x3h s SER 31 N -4.04 3.87 0.15 2.29 0.01 -1.26 -1.36 113.70 113.36 1x3h s SER 31 Ca 0.43 -1.87 0.04 0.00 1.31 0.00 0.00 55.95 55.86 1x3h s SER 31 Cb -0.05 -0.85 -0.05 0.00 0.21 0.00 0.00 66.02 65.28 1x3h s SER 31 CO 0.27 -0.38 -0.08 0.00 0.41 0.00 0.00 173.24 173.46 1x3h s ALA 32 N 1.34 1.45 -1.52 1.44 0.00 0.18 -4.81 121.76 119.85 1x3h s ALA 32 Ca 0.12 -1.52 -0.14 0.00 0.00 0.00 0.00 51.96 50.42 1x3h s ALA 32 Cb -0.19 0.13 0.11 0.00 0.00 0.00 0.00 23.12 23.17 1x3h s ALA 32 CO -0.19 -0.13 0.75 -1.33 0.00 0.00 0.00 175.76 174.86 1x3h n MET 33 N -0.21 -3.93 -2.00 0.00 2.81 -1.26 0.85 117.12 113.38 1x3h n MET 33 Ca -0.10 0.47 -0.21 0.00 -1.81 0.00 0.00 57.70 56.06 1x3h n MET 33 Cb 0.61 -5.25 -0.05 0.00 -0.71 0.00 0.00 33.22 27.82 1x3h n MET 33 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1x3h n ASP 34 N -2.58 -5.68 -2.75 7.83 -0.08 -1.26 -4.93 116.55 107.10 1x3h n ASP 34 Ca 0.04 0.24 -0.13 0.00 -1.51 0.00 0.00 54.79 53.43 1x3h n ASP 34 Cb 0.52 -4.84 -0.04 0.00 2.34 0.00 0.00 41.12 39.10 1x3h n ASP 34 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1x3h n THR 35 N -3.22 0.00 -4.06 5.18 5.66 0.25 -5.17 114.28 112.92 1x3h n THR 35 Ca -0.23 -1.65 -0.24 0.00 -3.05 0.00 0.00 64.05 58.88 1x3h n THR 35 Cb 0.68 0.96 -0.04 0.00 -1.55 0.00 0.00 70.33 70.38 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 -2.86 4.68 0.35 1.08 -7.23 -1.26 0.51 120.40 115.67 1x3h s VAL 36 Ca 0.27 -1.11 0.04 0.00 -1.81 0.00 0.00 61.98 59.37 1x3h s VAL 36 Cb -0.00 -3.45 -0.01 0.00 0.56 0.00 0.00 36.38 33.48 1x3h s VAL 36 CO 0.19 -0.20 0.38 0.79 -0.31 0.00 0.00 175.10 175.95 1x3h n TRP 37 N -0.72 -1.09 -4.53 2.82 7.02 -0.47 -2.16 117.44 118.31 1x3h n TRP 37 Ca -0.08 -2.70 -0.33 0.00 -1.02 0.00 0.00 57.50 53.37 1x3h n TRP 37 Cb 0.56 0.41 -0.11 0.00 -2.42 0.00 0.00 31.31 29.75 1x3h n TRP 37 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1x3h s HIS 38 N -3.17 2.93 -2.00 -5.99 3.76 -1.26 -2.41 115.29 107.15 1x3h s HIS 38 Ca 0.37 0.01 0.05 0.00 -0.15 0.00 0.00 55.06 55.33 1x3h s HIS 38 Cb 0.01 -1.67 0.30 0.00 1.11 0.00 0.00 32.58 32.33 1x3h s HIS 38 CO 0.26 0.36 0.76 -0.35 -0.85 0.00 0.00 174.74 174.92 1x3h n PRO 39 N 1.89 0.49 0.00 8.40 -0.04 -1.26 -0.93 135.00 143.54 1x3h n PRO 39 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1x3h n PRO 39 Cb 0.53 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.66 2.59 -0.06 0.54 0.28 -1.26 -4.82 120.64 117.24 1x3h n GLU 40 Ca 0.04 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.82 1x3h n GLU 40 Cb 0.02 -0.87 -0.12 0.00 1.43 0.00 0.00 31.44 31.89 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 -3.83 0.68 -3.96 0.00 7.35 -0.11 -4.82 117.46 112.76 1x3h n PHE 42 Ca -0.36 0.06 -0.09 0.00 -0.76 0.00 0.00 57.45 56.29 1x3h n PHE 42 Cb 0.91 -1.79 -0.08 0.00 0.35 0.00 0.00 39.48 38.87 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 8.19 0.12 1.01 -2.13 -7.23 -1.26 -4.10 120.40 115.00 1x3h s VAL 43 Ca 1.14 -1.43 -0.19 0.00 -1.81 0.00 0.00 61.98 59.69 1x3h s VAL 43 Cb -0.55 -1.65 -0.07 0.00 0.56 0.00 0.00 36.38 34.67 1x3h s VAL 43 CO 0.34 -0.53 -0.59 0.00 -0.31 0.00 0.00 175.10 174.02 1x3h n GLY 45 N 2.78 -1.18 0.21 0.00 0.00 0.82 -3.28 105.19 104.55 1x3h n GLY 45 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.24 0.96 0.16 1.61 8.00 -1.26 -4.68 116.55 119.10 1x3h n ASP 46 Ca -0.01 0.16 0.12 0.00 0.71 0.00 0.00 54.79 55.77 1x3h n ASP 46 Cb 0.51 -0.55 0.21 0.00 -0.02 0.00 0.00 41.12 41.27 1x3h n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x3h n PHE 48 N -2.71 -2.08 -3.99 0.00 3.72 -1.20 -4.93 117.46 106.27 1x3h n PHE 48 Ca 0.04 0.76 -0.24 0.00 -0.05 0.00 0.00 57.45 57.96 1x3h n PHE 48 Cb 0.50 -4.17 -0.03 0.00 -0.94 0.00 0.00 39.48 34.84 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 -3.52 5.09 0.47 4.37 -1.32 -1.26 -4.62 115.64 114.85 1x3h s THR 49 Ca 0.23 -0.92 -0.22 0.00 -1.21 0.00 0.00 61.69 59.57 1x3h s THR 49 Cb -0.06 -3.69 -0.08 0.00 -1.51 0.00 0.00 72.50 67.17 1x3h s THR 49 CO 0.80 -0.20 1.10 -0.55 -2.21 0.00 0.00 174.62 173.56 1x3h s SER 50 N -3.54 6.25 -0.71 8.08 0.15 -1.26 -1.97 113.70 120.69 1x3h s SER 50 Ca 0.34 2.14 -0.01 0.00 0.70 0.00 0.00 55.95 59.11 1x3h s SER 50 Cb -0.10 -2.58 0.41 0.00 -1.71 0.00 0.00 66.02 62.04 1x3h s SER 50 CO 0.28 -0.86 1.97 0.49 1.20 0.00 0.00 173.24 176.32 1x3h n PHE 51 N -0.67 3.13 -1.69 3.44 3.72 -1.26 -4.94 117.46 119.20 1x3h n PHE 51 Ca 0.08 -2.75 -0.44 0.00 -0.05 0.00 0.00 57.45 54.30 1x3h n PHE 51 Cb 0.50 -1.27 -0.03 0.00 -0.94 0.00 0.00 39.48 37.74 1x3h n PHE 51 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x3h n SER 52 N -0.76 3.82 -3.65 4.37 2.88 -1.26 -2.06 113.62 116.96 1x3h n SER 52 Ca 0.58 1.00 -0.25 0.00 -1.33 0.00 0.00 58.87 58.87 1x3h n SER 52 Cb 0.52 -1.51 -0.05 0.00 -0.75 0.00 0.00 64.21 62.43 1x3h n SER 52 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1x3h n THR 53 N 4.54 0.00 -3.70 2.46 5.66 -1.26 -4.87 114.28 117.10 1x3h n THR 53 Ca 0.18 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.92 1x3h n THR 53 Cb 0.35 -0.29 -0.17 0.00 -1.55 0.00 0.00 70.33 68.67 1x3h n THR 53 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1x3h s GLY 54 N -2.68 0.55 -0.36 1.09 0.00 -0.87 -5.09 107.32 99.96 1x3h s GLY 54 Ca 0.49 -0.46 -0.27 0.00 0.00 0.00 0.00 44.72 44.48 1x3h s GLY 54 CO 0.61 1.46 2.33 1.44 0.00 0.00 0.00 173.10 178.93 1x3h n SER 55 N 5.14 2.75 -3.59 1.64 7.64 -1.26 -4.79 113.62 121.15 1x3h n SER 55 Ca -0.08 -0.17 -0.25 0.00 1.01 0.00 0.00 58.87 59.38 1x3h n SER 55 Cb 0.48 -1.57 0.22 0.00 -1.01 0.00 0.00 64.21 62.33 1x3h n SER 55 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1x3h n PHE 56 N 13.92 -2.75 -3.92 1.43 -1.74 -1.26 -4.95 117.46 118.18 1x3h n PHE 56 Ca 0.34 -0.32 -0.25 0.00 -0.56 0.00 0.00 57.45 56.66 1x3h n PHE 56 Cb 0.50 -1.41 -0.17 0.00 1.52 0.00 0.00 39.48 39.92 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 -2.13 1.26 -0.14 2.97 0.08 -1.20 -5.02 117.98 113.81 1x3h s PHE 57 Ca 0.52 -0.57 -0.29 0.00 0.12 0.00 0.00 56.93 56.71 1x3h s PHE 57 Cb -0.10 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.23 1x3h s PHE 57 CO 0.47 -0.44 1.30 -2.00 -0.10 0.00 0.00 175.22 174.44 1x3h s GLU 58 N 1.68 4.24 -0.20 0.44 2.12 -1.26 -2.87 118.70 122.85 1x3h s GLU 58 Ca 0.03 1.72 -0.04 0.00 0.36 0.00 0.00 54.97 57.04 1x3h s GLU 58 Cb -0.13 -3.75 0.08 0.00 0.26 0.00 0.00 34.13 30.59 1x3h s GLU 58 CO -0.06 -0.68 0.14 -1.17 -0.54 0.00 0.00 175.26 172.94 1x3h s LEU 59 N 3.35 0.21 -1.45 2.70 2.96 -1.04 -4.86 118.68 120.55 1x3h s LEU 59 Ca 0.57 -0.58 -0.08 0.00 -0.22 0.00 0.00 54.13 53.82 1x3h s LEU 59 Cb -0.23 -0.05 0.02 0.00 0.50 0.00 0.00 46.19 46.42 1x3h s LEU 59 CO 0.17 -0.35 0.94 -0.67 -1.32 0.00 0.00 176.35 175.12 1x3h n ASP 60 N 5.29 -6.11 -2.56 3.68 2.03 -1.26 -1.75 116.55 115.87 1x3h n ASP 60 Ca -0.06 -0.46 -0.19 0.00 0.52 0.00 0.00 54.79 54.60 1x3h n ASP 60 Cb 0.48 -4.86 0.03 0.00 -0.72 0.00 0.00 41.12 36.05 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 -1.79 -0.33 2.98 0.27 0.00 -1.26 -5.00 105.19 100.06 1x3h n GLY 61 Ca -0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -5.50 0.14 -0.02 1.61 0.52 -0.72 -5.13 118.95 109.86 1x3h s ARG 62 Ca 0.25 0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 55.59 1x3h s ARG 62 Cb -0.11 -0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.16 1x3h s ARG 62 CO 0.31 -0.16 1.46 -1.25 0.02 0.00 0.00 175.30 175.68 1x3h s PRO 63 N 1.16 4.25 0.41 3.54 0.04 -1.26 -2.50 135.00 140.64 1x3h s PRO 63 Ca -0.09 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.01 1x3h s PRO 63 Cb -0.11 -3.66 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 1x3h s PRO 63 CO -0.07 -0.65 0.13 -0.06 0.04 0.00 0.00 177.00 176.39 1x3h s PHE 64 N 2.81 1.79 0.36 0.56 0.08 -1.14 -0.13 117.98 122.32 1x3h s PHE 64 Ca 0.66 -1.29 0.08 0.00 0.12 0.00 0.00 56.93 56.50 1x3h s PHE 64 Cb -0.32 -1.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.96 1x3h s PHE 64 CO 0.27 -0.31 0.32 0.00 -0.10 0.00 0.00 175.22 175.40 1x3h h GLU 66 N 1.17 0.54 -0.00 0.00 4.81 -1.97 0.73 114.58 119.86 1x3h h GLU 66 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1x3h h GLU 66 Cb 1.26 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1x3h h GLU 66 CO 0.58 0.35 -0.01 1.25 -0.73 0.00 0.00 179.01 180.45 1x3h h LEU 67 N 0.55 -0.04 0.16 1.64 7.12 -2.01 -2.05 115.31 120.69 1x3h h LEU 67 Ca 0.25 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.26 1x3h h LEU 67 Cb 0.16 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 1x3h h LEU 67 CO -0.17 -0.01 -0.08 0.45 -0.13 0.00 0.00 178.44 178.50 1x3h h HIS 68 N -0.02 -0.20 -0.65 1.25 3.86 -1.96 -2.85 115.15 114.59 1x3h h HIS 68 Ca 0.00 -0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.38 1x3h h HIS 68 Cb 0.02 0.06 -0.12 0.00 1.06 0.00 0.00 27.41 28.43 1x3h h HIS 68 CO -0.40 0.04 -0.01 0.98 0.86 0.00 0.00 177.93 179.40 1x3h n TYR 69 N -5.09 0.39 -0.03 2.45 9.36 0.25 0.13 117.16 124.62 1x3h n TYR 69 Ca -0.09 0.79 -0.13 0.00 3.32 0.00 0.00 57.90 61.79 1x3h n TYR 69 Cb 0.18 -0.97 -0.10 0.00 -0.63 0.00 0.00 39.34 37.81 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 0.05 -0.19 2.98 3.86 -1.28 -2.70 115.15 117.87 1x3h h HIS 70 Ca 0.38 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.62 1x3h h HIS 70 Cb 0.76 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 29.16 1x3h h HIS 70 CO -0.36 0.63 -0.42 1.25 0.86 0.00 0.00 177.93 179.89 1x3h h HIS 71 N -0.54 -1.19 -0.39 2.45 -0.00 0.13 -1.34 115.15 114.26 1x3h h HIS 71 Ca -0.00 0.05 0.06 0.00 -0.00 0.00 0.00 60.37 60.49 1x3h h HIS 71 Cb 0.62 0.55 -0.06 0.00 -0.00 0.00 0.00 27.41 28.53 1x3h h HIS 71 CO 0.13 -0.46 0.05 0.00 -0.00 0.00 0.00 177.93 177.64 1x3h h ARG 72 N -0.45 0.16 -0.46 5.26 3.08 -0.91 -2.41 114.38 118.64 1x3h h ARG 72 Ca 0.09 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.22 1x3h h ARG 72 Cb 0.61 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.53 1x3h h ARG 72 CO -0.43 0.10 -0.23 0.00 -1.07 0.00 0.00 179.97 178.35 1x3h h ARG 73 N 0.16 -0.12 -6.81 0.04 3.08 -0.99 -3.39 114.38 106.35 1x3h h ARG 73 Ca 0.19 0.01 -0.40 0.00 0.07 0.00 0.00 59.98 59.84 1x3h h ARG 73 Cb 0.24 0.03 0.21 0.00 0.08 0.00 0.00 29.97 30.53 1x3h h ARG 73 CO -0.27 -0.08 -0.46 0.41 -1.07 0.00 0.00 179.97 178.49 1x3h n GLY 74 N -1.40 -2.62 2.69 0.04 0.00 -0.59 -4.61 105.19 98.70 1x3h n GLY 74 Ca 0.03 -1.10 -0.46 0.00 0.00 0.00 0.00 46.02 44.49 1x3h n GLY 74 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x3h n SER 75 N -3.58 0.53 -4.25 1.61 2.88 -1.26 -4.88 113.62 104.68 1x3h n SER 75 Ca 0.04 0.47 -0.29 0.00 -1.33 0.00 0.00 58.87 57.76 1x3h n SER 75 Cb 0.56 -0.74 -0.07 0.00 -0.75 0.00 0.00 64.21 63.22 1x3h n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3h n GLY 76 N 5.93 3.42 3.58 0.46 0.00 -1.26 -5.01 105.19 112.31 1x3h n GLY 76 Ca 0.47 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1x3h n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3h s PRO 77 N -3.67 3.17 -0.14 1.61 0.04 -1.26 -4.98 135.00 129.77 1x3h s PRO 77 Ca 0.10 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.25 1x3h s PRO 77 Cb 0.00 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1x3h s PRO 77 CO 0.07 -2.06 -0.20 -1.54 0.04 0.00 0.00 177.00 173.31 1x3h s SER 78 N 6.29 3.31 -0.47 6.66 1.04 -1.26 -5.09 113.70 124.18 1x3h s SER 78 Ca 0.73 -0.55 -0.27 0.00 0.48 0.00 0.00 55.95 56.33 1x3h s SER 78 Cb -0.18 -1.49 0.03 0.00 0.10 0.00 0.00 66.02 64.48 1x3h s SER 78 CO 0.30 0.09 1.03 -0.55 0.98 0.00 0.00 173.24 175.09 1x3h s SER 79 N 0.76 6.56 0.00 7.02 0.15 -1.26 -5.32 113.70 121.62 1x3h s SER 79 Ca -0.08 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1x3h s SER 79 Cb -0.16 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1x3h s SER 79 CO -0.00 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 173.89