#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 -0.92 0.36 1.61 0.15 -1.26 -5.18 113.70 108.46 1x3h s SER 2 Ca 0.00 1.29 0.05 0.00 0.70 0.00 0.00 55.95 57.99 1x3h s SER 2 Cb 0.00 1.97 -0.07 0.00 -1.71 0.00 0.00 66.02 66.21 1x3h s SER 2 CO 0.00 -0.18 0.05 -0.94 1.20 0.00 0.00 173.24 173.36 1x3h s SER 3 N 2.57 2.85 0.00 5.45 1.04 -1.26 -5.15 113.70 119.21 1x3h s SER 3 Ca -0.05 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 54.99 1x3h s SER 3 Cb -0.09 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1x3h s SER 3 CO -0.18 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1x3h n GLY 4 N -0.79 3.58 3.57 7.32 0.00 -1.26 -5.16 105.19 112.46 1x3h n GLY 4 Ca -0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.59 0.11 1.61 0.15 -1.26 -5.18 113.70 108.55 1x3h s SER 5 Ca 0.00 0.89 0.03 0.00 0.70 0.00 0.00 55.95 57.57 1x3h s SER 5 Cb 0.00 1.41 -0.04 0.00 -1.71 0.00 0.00 66.02 65.68 1x3h s SER 5 CO 0.00 -0.13 -0.09 -0.44 1.20 0.00 0.00 173.24 173.78 1x3h s SER 6 N 1.76 1.44 0.00 5.45 0.01 -1.26 -5.06 113.70 116.04 1x3h s SER 6 Ca -0.07 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.23 1x3h s SER 6 Cb -0.05 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1x3h s SER 6 CO -0.16 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1x3h n GLY 7 N 0.06 0.28 3.60 3.44 0.00 -1.26 -5.15 105.19 106.16 1x3h n GLY 7 Ca -0.12 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.07 1.94 -0.41 1.61 3.01 -1.26 -5.12 119.74 119.45 1x3h s LYS 8 Ca 0.00 -2.15 -0.05 0.00 -1.01 0.00 0.00 55.97 52.76 1x3h s LYS 8 Cb 0.00 -1.27 0.10 0.00 -1.01 0.00 0.00 37.83 35.65 1x3h s LYS 8 CO 0.00 -0.23 0.22 0.16 0.51 0.00 0.00 175.35 176.01 1x3h s ASP 9 N -3.68 5.36 0.53 2.83 -4.77 -1.26 -5.09 116.67 110.59 1x3h s ASP 9 Ca 0.26 -1.83 0.09 0.00 -3.30 0.00 0.00 52.55 47.77 1x3h s ASP 9 Cb 0.06 -1.88 0.06 0.00 -1.09 0.00 0.00 42.92 40.08 1x3h s ASP 9 CO 0.13 -0.54 0.72 -0.36 0.70 0.00 0.00 175.17 175.82 1x3h s PHE 10 N 1.24 1.83 -0.88 2.11 0.08 -1.26 -4.95 117.98 116.15 1x3h s PHE 10 Ca 0.05 -0.63 -0.27 0.00 0.12 0.00 0.00 56.93 56.20 1x3h s PHE 10 Cb -0.23 -2.26 -0.20 0.00 -0.57 0.00 0.00 43.02 39.76 1x3h s PHE 10 CO -0.02 -0.93 2.57 -0.11 -0.10 0.00 0.00 175.22 176.63 1x3h n LEU 11 N -2.12 0.58 -2.16 -0.37 7.94 -1.26 -4.75 117.00 114.86 1x3h n LEU 11 Ca 0.13 -0.11 -0.27 0.00 -1.11 0.00 0.00 56.01 54.65 1x3h n LEU 11 Cb 0.61 -1.05 0.06 0.00 0.53 0.00 0.00 43.42 43.57 1x3h n LEU 11 CO 0.40 -1.06 1.36 0.00 -1.11 0.00 0.00 177.39 176.98 1x3h n ALA 12 N 11.42 5.81 -3.68 1.96 0.00 -1.26 -4.84 120.51 129.92 1x3h n ALA 12 Ca 0.59 -2.68 -0.10 0.00 0.00 0.00 0.00 53.44 51.26 1x3h n ALA 12 Cb 0.17 -1.62 -0.10 0.00 0.00 0.00 0.00 19.45 17.90 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 -2.88 0.38 -0.16 0.00 0.23 -1.26 -5.05 119.30 110.57 1x3h s MET 13 Ca 0.49 0.86 -0.04 0.00 -1.03 0.00 0.00 55.69 55.97 1x3h s MET 13 Cb 0.39 0.07 -0.24 0.00 -1.53 0.00 0.00 34.83 33.51 1x3h s MET 13 CO -0.03 -0.18 0.20 1.97 -2.03 0.00 0.00 175.02 174.96 1x3h n PHE 14 N 4.55 0.92 -1.01 3.16 -1.74 -1.26 -4.98 117.46 117.10 1x3h n PHE 14 Ca -0.20 0.19 -0.32 0.00 -0.56 0.00 0.00 57.45 56.56 1x3h n PHE 14 Cb 0.54 -1.12 0.02 0.00 1.52 0.00 0.00 39.48 40.43 1x3h n PHE 14 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1x3h n SER 15 N -3.43 -3.65 -3.86 5.98 7.64 -1.26 -4.92 113.62 110.13 1x3h n SER 15 Ca -0.36 0.45 -0.30 0.00 1.01 0.00 0.00 58.87 59.67 1x3h n SER 15 Cb 1.03 -0.70 0.24 0.00 -1.01 0.00 0.00 64.21 63.77 1x3h n SER 15 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x3h s PRO 16 N -1.08 -1.16 -0.06 1.43 0.04 -1.26 -4.98 135.00 127.94 1x3h s PRO 16 Ca 0.45 -0.04 -0.14 0.00 0.04 0.00 0.00 61.00 61.31 1x3h s PRO 16 Cb -0.35 -1.60 0.03 0.00 0.04 0.00 0.00 34.50 32.61 1x3h s PRO 16 CO 0.60 -3.67 0.33 0.15 0.04 0.00 0.00 177.00 174.44 1x3h s LYS 17 N -5.38 0.56 0.22 4.56 1.02 -1.26 -3.69 119.74 115.77 1x3h s LYS 17 Ca 0.71 0.09 -0.29 0.00 0.02 0.00 0.00 55.97 56.49 1x3h s LYS 17 Cb -0.10 0.26 -0.16 0.00 -0.52 0.00 0.00 37.83 37.31 1x3h s LYS 17 CO 0.56 -0.13 0.82 0.00 -0.92 0.00 0.00 175.35 175.68 1x3h n GLY 19 N 1.70 2.43 1.03 0.00 0.00 -1.07 -1.82 105.19 107.45 1x3h n GLY 19 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 1.18 -0.09 0.00 -0.02 0.00 -1.26 -4.92 105.19 100.08 1x3h n GLY 20 Ca 0.01 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.45 -5.64 -4.73 0.00 3.02 -0.76 -4.98 115.26 100.72 1x3h n ASN 22 Ca 0.02 -0.37 -0.31 0.00 -0.03 0.00 0.00 54.58 53.89 1x3h n ASN 22 Cb 0.25 -4.34 -0.07 0.00 -0.61 0.00 0.00 39.78 35.01 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 -5.88 2.75 -0.56 3.52 1.81 -1.26 -4.81 118.95 114.52 1x3h s ARG 23 Ca 0.40 -0.73 -0.27 0.00 -1.72 0.00 0.00 55.73 53.42 1x3h s ARG 23 Cb -0.18 -2.65 -0.02 0.00 -0.45 0.00 0.00 34.95 31.65 1x3h s ARG 23 CO 0.50 0.57 1.83 -1.25 -0.68 0.00 0.00 175.30 176.26 1x3h s PRO 24 N -2.23 2.79 0.12 3.54 0.04 -1.26 -1.21 135.00 136.79 1x3h s PRO 24 Ca 0.26 0.76 -0.27 0.00 0.04 0.00 0.00 61.00 61.80 1x3h s PRO 24 Cb -0.12 -4.34 -0.07 0.00 0.04 0.00 0.00 34.50 30.02 1x3h s PRO 24 CO 0.19 -2.53 0.83 0.14 0.04 0.00 0.00 177.00 175.67 1x3h s VAL 25 N 8.53 4.50 0.18 -0.36 -7.23 -1.24 -4.93 120.40 119.84 1x3h s VAL 25 Ca 0.69 1.80 0.00 0.00 -1.81 0.00 0.00 61.98 62.66 1x3h s VAL 25 Cb -0.14 -4.19 0.00 0.00 0.56 0.00 0.00 36.38 32.61 1x3h s VAL 25 CO 0.23 0.42 0.00 0.18 -0.31 0.00 0.00 175.10 175.62 1x3h n LEU 26 N 2.28 0.26 -4.64 1.32 4.32 -1.26 -4.87 117.00 114.41 1x3h n LEU 26 Ca -0.02 0.30 -0.35 0.00 -0.02 0.00 0.00 56.01 55.92 1x3h n LEU 26 Cb 0.49 0.10 -0.10 0.00 -1.62 0.00 0.00 43.42 42.30 1x3h n LEU 26 CO 0.48 -0.69 -0.32 -1.83 -1.22 0.00 0.00 177.39 173.80 1x3h s GLU 27 N -2.00 3.03 -1.08 3.23 4.04 -1.26 -4.56 118.70 120.09 1x3h s GLU 27 Ca 0.00 -0.44 -0.02 0.00 0.04 0.00 0.00 54.97 54.55 1x3h s GLU 27 Cb 0.00 -2.78 0.00 0.00 0.02 0.00 0.00 34.13 31.38 1x3h s GLU 27 CO 0.00 0.64 0.91 -1.71 -1.84 0.00 0.00 175.26 173.27 1x3h n ASN 28 N 2.32 -3.01 -4.57 0.83 2.85 -1.26 -5.02 115.26 107.41 1x3h n ASN 28 Ca -0.18 -0.52 -0.26 0.00 -0.11 0.00 0.00 54.58 53.50 1x3h n ASN 28 Cb 0.53 -4.52 -0.09 0.00 1.24 0.00 0.00 39.78 36.94 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 -3.31 2.60 0.41 1.20 1.13 -1.26 -4.13 117.35 113.99 1x3h s TYR 29 Ca 0.13 -0.24 0.08 0.00 -1.41 0.00 0.00 57.07 55.63 1x3h s TYR 29 Cb -0.06 -1.24 -0.02 0.00 -1.10 0.00 0.00 41.96 39.54 1x3h s TYR 29 CO 0.64 0.54 0.36 -0.51 -2.51 0.00 0.00 175.55 174.07 1x3h s LEU 30 N -3.01 3.37 -0.32 -3.49 1.02 -0.85 -4.94 118.68 110.47 1x3h s LEU 30 Ca 0.26 -0.77 -0.01 0.00 0.02 0.00 0.00 54.13 53.63 1x3h s LEU 30 Cb -0.08 -2.01 0.11 0.00 0.02 0.00 0.00 46.19 44.23 1x3h s LEU 30 CO 0.16 -0.63 0.13 -0.44 0.02 0.00 0.00 176.35 175.59 1x3h s SER 31 N -4.10 3.76 0.13 2.29 0.01 -1.26 -1.76 113.70 112.77 1x3h s SER 31 Ca 0.47 -1.70 0.05 0.00 1.31 0.00 0.00 55.95 56.08 1x3h s SER 31 Cb -0.03 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 1x3h s SER 31 CO 0.27 -0.40 -0.11 0.00 0.41 0.00 0.00 173.24 173.41 1x3h s ALA 32 N 1.56 1.38 -1.49 1.44 0.00 0.21 -4.83 121.76 120.04 1x3h s ALA 32 Ca 0.11 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.68 1x3h s ALA 32 Cb -0.18 -0.00 0.04 0.00 0.00 0.00 0.00 23.12 22.98 1x3h s ALA 32 CO -0.23 -0.01 0.49 -1.33 0.00 0.00 0.00 175.76 174.68 1x3h n MET 33 N 0.26 -3.15 -2.02 0.00 2.81 -1.26 0.89 117.12 114.64 1x3h n MET 33 Ca -0.14 0.38 -0.14 0.00 -1.81 0.00 0.00 57.70 55.99 1x3h n MET 33 Cb 0.59 -4.63 -0.03 0.00 -0.71 0.00 0.00 33.22 28.44 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 -2.89 -4.11 -2.95 7.83 2.03 -1.26 -4.90 116.55 110.30 1x3h n ASP 34 Ca -0.21 0.23 -0.16 0.00 0.52 0.00 0.00 54.79 55.17 1x3h n ASP 34 Cb 0.64 -3.59 -0.05 0.00 -0.72 0.00 0.00 41.12 37.39 1x3h n ASP 34 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1x3h n THR 35 N -2.89 0.00 -4.15 5.18 5.66 0.26 -5.17 114.28 113.16 1x3h n THR 35 Ca -0.16 -1.94 -0.22 0.00 -3.05 0.00 0.00 64.05 58.68 1x3h n THR 35 Cb 0.56 1.07 -0.05 0.00 -1.55 0.00 0.00 70.33 70.36 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 -3.01 4.10 0.35 1.08 -7.23 -1.26 0.68 120.40 115.11 1x3h s VAL 36 Ca 0.32 -1.55 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1x3h s VAL 36 Cb 0.00 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.72 1x3h s VAL 36 CO 0.23 -0.35 0.48 0.26 -0.31 0.00 0.00 175.10 175.41 1x3h s TRP 37 N -2.20 1.14 -0.05 2.82 0.52 -0.72 -2.59 118.94 117.85 1x3h s TRP 37 Ca 0.33 -1.35 0.00 0.00 0.02 0.00 0.00 56.10 55.10 1x3h s TRP 37 Cb -0.07 -0.11 -0.03 0.00 -1.15 0.00 0.00 33.47 32.10 1x3h s TRP 37 CO 0.24 -1.15 -0.03 -1.01 0.02 0.00 0.00 176.95 175.02 1x3h s HIS 38 N -2.97 3.05 -1.92 -1.98 3.76 -1.26 -2.00 115.29 111.97 1x3h s HIS 38 Ca 0.31 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.32 1x3h s HIS 38 Cb -0.01 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.96 1x3h s HIS 38 CO 0.22 0.42 0.47 -0.35 -0.85 0.00 0.00 174.74 174.64 1x3h n PRO 39 N 1.96 0.49 0.00 8.40 -0.04 -1.26 -1.19 135.00 143.36 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 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.44 2.44 -0.08 0.54 0.28 -1.26 -4.85 120.64 117.26 1x3h n GLU 40 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 1x3h n GLU 40 Cb 0.01 -0.81 -0.12 0.00 1.43 0.00 0.00 31.44 31.95 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 -4.17 0.46 -4.11 0.00 7.35 -0.33 -4.79 117.46 111.87 1x3h n PHE 42 Ca -0.34 0.01 -0.12 0.00 -0.76 0.00 0.00 57.45 56.23 1x3h n PHE 42 Cb 0.79 -1.36 -0.07 0.00 0.35 0.00 0.00 39.48 39.19 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 5.85 0.00 1.07 -2.13 -7.23 -1.26 -4.22 120.40 112.48 1x3h s VAL 43 Ca 1.18 -1.69 -0.13 0.00 -1.81 0.00 0.00 61.98 59.53 1x3h s VAL 43 Cb -0.60 -2.44 0.18 0.00 0.56 0.00 0.00 36.38 34.09 1x3h s VAL 43 CO 0.39 0.00 0.77 0.00 -0.31 0.00 0.00 175.10 175.95 1x3h n GLY 45 N 1.08 -1.02 0.03 0.00 0.00 -1.10 -3.43 105.19 100.75 1x3h n GLY 45 Ca 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.75 0.82 0.22 1.61 9.92 -1.26 -4.54 116.55 120.58 1x3h n ASP 46 Ca -0.25 0.34 0.12 0.00 -0.53 0.00 0.00 54.79 54.47 1x3h n ASP 46 Cb 1.04 -0.65 0.25 0.00 -0.64 0.00 0.00 41.12 41.12 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 -3.12 -2.19 -3.88 0.00 3.72 -1.22 -4.95 117.46 105.82 1x3h n PHE 48 Ca 0.03 0.90 -0.30 0.00 -0.05 0.00 0.00 57.45 58.04 1x3h n PHE 48 Cb 0.51 -4.60 -0.04 0.00 -0.94 0.00 0.00 39.48 34.41 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 -3.48 5.34 0.48 4.37 -1.32 -1.26 -4.64 115.64 115.14 1x3h s THR 49 Ca 0.19 -0.40 -0.22 0.00 -1.21 0.00 0.00 61.69 60.05 1x3h s THR 49 Cb -0.09 -3.66 -0.07 0.00 -1.51 0.00 0.00 72.50 67.17 1x3h s THR 49 CO 0.78 0.06 1.13 -0.55 -2.21 0.00 0.00 174.62 173.83 1x3h s SER 50 N -2.70 6.10 -0.57 8.08 0.15 -1.26 -1.93 113.70 121.56 1x3h s SER 50 Ca 0.36 2.20 -0.02 0.00 0.70 0.00 0.00 55.95 59.19 1x3h s SER 50 Cb -0.12 -2.59 0.36 0.00 -1.71 0.00 0.00 66.02 61.96 1x3h s SER 50 CO 0.28 -0.96 2.06 0.49 1.20 0.00 0.00 173.24 176.30 1x3h n PHE 51 N -0.76 2.68 0.00 3.44 3.72 -1.26 -4.44 117.46 120.85 1x3h n PHE 51 Ca 0.09 -2.65 -0.21 0.00 -0.05 0.00 0.00 57.45 54.62 1x3h n PHE 51 Cb 0.50 -1.30 -0.14 0.00 -0.94 0.00 0.00 39.48 37.60 1x3h n PHE 51 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1x3h h SER 52 N 1.94 0.35 -0.46 4.37 0.87 -1.94 -3.38 113.55 115.30 1x3h h SER 52 Ca 0.51 -0.85 0.06 0.00 -1.23 0.00 0.00 61.79 60.28 1x3h h SER 52 Cb 0.79 -0.12 -0.09 0.00 -0.44 0.00 0.00 62.40 62.55 1x3h h SER 52 CO 1.33 1.58 -0.55 0.71 -0.53 0.00 0.00 176.83 179.37 1x3h h THR 53 N -0.36 0.01 0.00 2.23 1.35 -2.02 -3.46 112.91 110.67 1x3h h THR 53 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1x3h h THR 53 Cb 1.71 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1x3h h THR 53 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1x3h n GLY 54 N -1.37 5.64 3.96 5.82 0.00 -1.26 -5.16 105.19 112.82 1x3h n GLY 54 Ca -0.03 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 1x3h n GLY 54 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3h s SER 55 N 1.00 6.33 0.58 1.61 0.15 -1.26 -4.89 113.70 117.21 1x3h s SER 55 Ca 0.00 0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.85 1x3h s SER 55 Cb 0.00 -1.89 0.08 0.00 -1.71 0.00 0.00 66.02 62.50 1x3h s SER 55 CO 0.00 -0.06 0.80 0.72 1.20 0.00 0.00 173.24 175.90 1x3h s PHE 56 N -1.94 1.73 0.01 3.44 -0.71 -1.26 -4.76 117.98 114.47 1x3h s PHE 56 Ca 0.35 -0.55 0.04 0.00 -1.04 0.00 0.00 56.93 55.72 1x3h s PHE 56 Cb -0.10 -2.42 -0.01 0.00 -1.21 0.00 0.00 43.02 39.28 1x3h s PHE 56 CO 0.29 -1.14 -0.12 -0.06 -1.34 0.00 0.00 175.22 172.85 1x3h s PHE 57 N -2.72 1.05 -0.35 3.49 0.40 -1.08 -5.01 117.98 113.77 1x3h s PHE 57 Ca 0.61 -0.25 -0.13 0.00 -0.60 0.00 0.00 56.93 56.57 1x3h s PHE 57 Cb -0.06 -0.66 -0.01 0.00 0.51 0.00 0.00 43.02 42.80 1x3h s PHE 57 CO 0.39 -0.01 0.24 -2.00 0.70 0.00 0.00 175.22 174.54 1x3h s GLU 58 N -0.56 3.40 -0.38 0.44 2.12 -1.26 -2.61 118.70 119.85 1x3h s GLU 58 Ca 0.03 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 54.68 1x3h s GLU 58 Cb -0.05 -3.80 0.11 0.00 0.26 0.00 0.00 34.13 30.65 1x3h s GLU 58 CO 0.00 -0.48 0.13 -1.17 -0.54 0.00 0.00 175.26 173.20 1x3h s LEU 59 N 1.70 3.75 -1.01 2.70 2.96 -1.05 -4.75 118.68 122.99 1x3h s LEU 59 Ca 0.06 -2.26 -0.02 0.00 -0.22 0.00 0.00 54.13 51.69 1x3h s LEU 59 Cb -0.18 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.16 1x3h s LEU 59 CO 0.10 -0.34 0.25 -0.67 -1.32 0.00 0.00 176.35 174.36 1x3h n ASP 60 N 4.08 -4.27 -1.70 3.68 2.03 -1.26 -3.02 116.55 116.09 1x3h n ASP 60 Ca 0.03 -0.12 -0.09 0.00 0.52 0.00 0.00 54.79 55.13 1x3h n ASP 60 Cb 0.39 -3.25 0.03 0.00 -0.72 0.00 0.00 41.12 37.57 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 -1.15 0.37 2.98 0.27 0.00 -1.26 -5.05 105.19 101.35 1x3h n GLY 61 Ca -0.10 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.46 0.14 -0.05 1.61 1.81 -1.17 -5.13 118.95 110.71 1x3h s ARG 62 Ca 0.22 0.45 -0.30 0.00 -1.72 0.00 0.00 55.73 54.38 1x3h s ARG 62 Cb -0.10 -0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.20 1x3h s ARG 62 CO 0.28 -0.17 1.48 -1.25 -0.68 0.00 0.00 175.30 174.97 1x3h s PRO 63 N 1.24 4.23 0.10 3.54 0.04 -1.26 -2.52 135.00 140.37 1x3h s PRO 63 Ca -0.09 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 1x3h s PRO 63 Cb -0.11 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 1x3h s PRO 63 CO -0.07 -0.71 0.01 -0.06 0.04 0.00 0.00 177.00 176.21 1x3h s PHE 64 N 3.23 0.74 -0.10 0.56 0.08 -1.07 -2.71 117.98 118.70 1x3h s PHE 64 Ca 0.66 -1.13 -0.08 0.00 0.12 0.00 0.00 56.93 56.50 1x3h s PHE 64 Cb -0.31 -0.46 -0.04 0.00 -0.57 0.00 0.00 43.02 41.64 1x3h s PHE 64 CO 0.26 -0.42 0.18 0.00 -0.10 0.00 0.00 175.22 175.13 1x3h n GLU 66 N 1.88 -0.21 -0.09 0.00 2.13 -1.26 0.61 120.64 123.70 1x3h n GLU 66 Ca -0.19 0.88 -0.02 0.00 0.66 0.00 0.00 57.16 58.50 1x3h n GLU 66 Cb 0.55 -1.30 -0.02 0.00 0.27 0.00 0.00 31.44 30.93 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 -4.77 -0.22 0.17 4.31 7.94 -1.26 -0.25 117.00 122.91 1x3h n LEU 67 Ca 0.03 1.03 -0.12 0.00 -1.11 0.00 0.00 56.01 55.85 1x3h n LEU 67 Cb 0.18 -0.38 -0.07 0.00 0.53 0.00 0.00 43.42 43.68 1x3h n LEU 67 CO -0.09 -0.63 0.40 0.45 -1.11 0.00 0.00 177.39 176.41 1x3h h HIS 68 N 0.00 -0.44 -0.66 1.96 3.86 -1.19 -2.64 115.15 116.05 1x3h h HIS 68 Ca 0.03 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.41 1x3h h HIS 68 Cb 0.08 0.15 -0.12 0.00 1.06 0.00 0.00 27.41 28.58 1x3h h HIS 68 CO -0.84 -0.11 -0.01 0.98 0.86 0.00 0.00 177.93 178.81 1x3h n TYR 69 N -5.12 0.40 -0.01 2.45 9.36 0.20 0.11 117.16 124.55 1x3h n TYR 69 Ca -0.09 0.79 -0.13 0.00 3.32 0.00 0.00 57.90 61.80 1x3h n TYR 69 Cb 0.27 -0.98 -0.10 0.00 -0.63 0.00 0.00 39.34 37.90 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 -0.04 -0.69 2.98 3.86 -0.65 -2.89 115.15 117.72 1x3h h HIS 70 Ca 0.39 -0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.75 1x3h h HIS 70 Cb 0.78 0.01 -0.11 0.00 1.06 0.00 0.00 27.41 29.15 1x3h h HIS 70 CO -0.35 0.52 0.09 1.25 0.86 0.00 0.00 177.93 180.29 1x3h h HIS 71 N -0.64 0.11 -0.04 2.45 -0.00 0.12 -0.97 115.15 116.18 1x3h h HIS 71 Ca -0.00 0.05 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1x3h h HIS 71 Cb 0.58 0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.04 1x3h h HIS 71 CO 0.12 -0.14 -0.00 0.00 -0.00 0.00 0.00 177.93 177.92 1x3h h ARG 72 N 0.19 0.01 -0.55 5.26 3.08 -0.73 -2.81 114.38 118.83 1x3h h ARG 72 Ca 0.38 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.54 1x3h h ARG 72 Cb 0.63 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.58 1x3h h ARG 72 CO -0.53 0.01 -0.14 0.00 -1.07 0.00 0.00 179.97 178.23 1x3h h ARG 73 N 0.01 -0.01 0.00 0.04 3.08 -0.98 -3.33 114.38 113.20 1x3h h ARG 73 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1x3h h ARG 73 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1x3h h ARG 73 CO -0.03 -0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.28 1x3h n GLY 74 N -1.39 1.38 3.55 0.04 0.00 -0.80 -4.68 105.19 103.30 1x3h n GLY 74 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1x3h n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x3h n SER 75 N 0.00 1.85 0.00 1.61 3.41 -1.11 -4.70 113.62 114.69 1x3h n SER 75 Ca 0.00 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1x3h n SER 75 Cb 0.00 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.35 1x3h n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3h n GLY 76 N 6.52 2.82 3.70 5.00 0.00 -1.25 -4.56 105.19 117.42 1x3h n GLY 76 Ca 0.45 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.10 4.28 -0.01 1.61 0.04 -1.26 -4.86 135.00 132.70 1x3h s PRO 77 Ca 0.00 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.98 1x3h s PRO 77 Cb 0.00 -3.49 0.01 0.00 0.04 0.00 0.00 34.50 31.06 1x3h s PRO 77 CO 0.00 -0.55 0.19 -1.12 0.04 0.00 0.00 177.00 175.56 1x3h s SER 78 N 1.74 -0.06 0.25 6.66 0.01 -1.26 -4.88 113.70 116.16 1x3h s SER 78 Ca 0.65 -0.05 0.11 0.00 1.31 0.00 0.00 55.95 57.97 1x3h s SER 78 Cb -0.34 0.26 -0.05 0.00 0.21 0.00 0.00 66.02 66.11 1x3h s SER 78 CO 0.28 -0.35 -0.19 -0.44 0.41 0.00 0.00 173.24 172.95 1x3h s SER 79 N -1.16 3.31 0.00 2.44 0.01 -1.26 -5.17 113.70 111.87 1x3h s SER 79 Ca -0.12 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.13 1x3h s SER 79 Cb -0.06 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1x3h s SER 79 CO 0.02 -0.01 0.29 0.61 0.41 0.00 0.00 173.24 174.56