#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 2.95 -0.29 1.61 0.01 -1.26 -5.10 113.70 111.62 1x3h s SER 2 Ca 0.00 -0.58 -0.20 0.00 1.31 0.00 0.00 55.95 56.48 1x3h s SER 2 Cb 0.00 -1.36 0.15 0.00 0.21 0.00 0.00 66.02 65.02 1x3h s SER 2 CO 0.00 0.00 1.07 -0.44 0.41 0.00 0.00 173.24 174.28 1x3h s SER 3 N 1.21 -0.40 -0.41 2.44 0.01 -1.26 -5.12 113.70 110.17 1x3h s SER 3 Ca 0.01 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1x3h s SER 3 Cb -0.14 0.96 0.22 0.00 0.21 0.00 0.00 66.02 67.27 1x3h s SER 3 CO -0.09 -0.11 0.99 0.61 0.41 0.00 0.00 173.24 175.04 1x3h n GLY 4 N 2.90 -1.09 3.28 3.44 0.00 -1.26 -5.15 105.19 107.31 1x3h n GLY 4 Ca -0.15 0.80 -0.32 0.00 0.00 0.00 0.00 46.02 46.35 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 0.21 3.21 -0.28 1.61 0.15 -1.26 -5.11 113.70 112.22 1x3h s SER 5 Ca 0.27 -0.49 -0.25 0.00 0.70 0.00 0.00 55.95 56.18 1x3h s SER 5 Cb 0.13 -1.06 0.14 0.00 -1.71 0.00 0.00 66.02 63.51 1x3h s SER 5 CO -0.11 0.22 1.11 -0.55 1.20 0.00 0.00 173.24 175.11 1x3h s SER 6 N -0.02 -0.37 0.00 5.45 0.15 -1.26 -5.10 113.70 112.55 1x3h s SER 6 Ca -0.08 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1x3h s SER 6 Cb -0.15 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1x3h s SER 6 CO 0.05 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1x3h n GLY 7 N 2.07 1.16 3.48 9.45 0.00 -1.26 -4.99 105.19 115.10 1x3h n GLY 7 Ca -0.12 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 1x3h n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x3h n LYS 8 N 0.00 -7.31 -4.06 1.61 4.01 -1.26 -4.99 118.16 106.17 1x3h n LYS 8 Ca 0.00 0.82 -0.35 0.00 -0.51 0.00 0.00 58.31 58.27 1x3h n LYS 8 Cb 0.00 -5.79 -0.11 0.00 -0.51 0.00 0.00 35.03 28.62 1x3h n LYS 8 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1x3h s ASP 9 N -3.68 5.31 1.06 4.39 2.15 -1.26 -5.11 116.67 119.53 1x3h s ASP 9 Ca 0.36 -0.04 -0.18 0.00 0.43 0.00 0.00 52.55 53.13 1x3h s ASP 9 Cb -0.16 -1.91 0.24 0.00 -0.30 0.00 0.00 42.92 40.79 1x3h s ASP 9 CO 0.71 0.13 1.25 -0.36 -0.17 0.00 0.00 175.17 176.73 1x3h s PHE 10 N 0.64 1.07 0.15 -5.34 0.40 -1.26 -4.92 117.98 108.72 1x3h s PHE 10 Ca 0.02 0.35 -0.25 0.00 -0.60 0.00 0.00 56.93 56.45 1x3h s PHE 10 Cb -0.13 -3.91 -0.01 0.00 0.51 0.00 0.00 43.02 39.47 1x3h s PHE 10 CO 0.02 -3.18 1.33 1.28 0.70 0.00 0.00 175.22 175.38 1x3h n LEU 11 N -4.17 -0.86 -4.22 -0.37 4.77 -1.26 -4.76 117.00 106.13 1x3h n LEU 11 Ca 0.15 1.53 -0.33 0.00 -0.03 0.00 0.00 56.01 57.33 1x3h n LEU 11 Cb 0.59 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1x3h n LEU 11 CO 0.45 -1.27 -0.19 0.00 -1.33 0.00 0.00 177.39 175.04 1x3h n ALA 12 N -3.38 -1.61 -3.63 -1.18 0.00 -1.26 -4.92 120.51 104.53 1x3h n ALA 12 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1x3h n ALA 12 Cb 0.25 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.39 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 -6.97 0.56 0.00 0.00 0.23 -1.26 -5.05 119.30 106.81 1x3h s MET 13 Ca 0.41 1.37 0.00 0.00 -1.03 0.00 0.00 55.69 56.44 1x3h s MET 13 Cb -0.23 0.78 0.00 0.00 -1.53 0.00 0.00 34.83 33.85 1x3h s MET 13 CO 0.95 -0.19 0.00 0.34 -2.03 0.00 0.00 175.02 174.09 1x3h n PHE 14 N 5.30 0.00 -1.55 3.16 -0.00 -1.26 -5.07 117.46 118.04 1x3h n PHE 14 Ca -0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 56.98 1x3h n PHE 14 Cb 0.50 0.09 0.08 0.00 -0.00 0.00 0.00 39.48 40.15 1x3h n PHE 14 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1x3h s SER 15 N -4.74 4.48 0.90 -2.13 0.01 -1.26 -5.00 113.70 105.95 1x3h s SER 15 Ca 0.00 2.28 -0.12 0.00 1.31 0.00 0.00 55.95 59.42 1x3h s SER 15 Cb 0.00 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.78 1x3h s SER 15 CO 0.00 -2.07 1.09 -2.16 0.41 0.00 0.00 173.24 170.51 1x3h s PRO 16 N -3.90 1.25 0.04 12.44 0.04 -1.26 -4.96 135.00 138.65 1x3h s PRO 16 Ca 0.73 0.82 0.02 0.00 0.04 0.00 0.00 61.00 62.61 1x3h s PRO 16 Cb -0.27 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1x3h s PRO 16 CO 0.43 -2.24 -0.07 0.15 0.04 0.00 0.00 177.00 175.31 1x3h s LYS 17 N -4.94 0.50 0.21 4.56 1.02 -1.26 -3.30 119.74 116.53 1x3h s LYS 17 Ca 0.63 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 55.60 1x3h s LYS 17 Cb -0.18 -0.25 -0.16 0.00 -0.52 0.00 0.00 37.83 36.72 1x3h s LYS 17 CO 0.57 0.04 0.91 0.00 -0.92 0.00 0.00 175.35 175.95 1x3h n GLY 19 N 1.71 2.39 2.10 0.00 0.00 -1.08 -2.28 105.19 108.03 1x3h n GLY 19 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 1.41 -0.93 0.06 -0.02 0.00 -1.26 -4.92 105.19 99.52 1x3h n GLY 20 Ca 0.00 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.17 -2.55 -4.45 0.00 4.13 -0.97 -5.01 115.26 104.24 1x3h n ASN 22 Ca 0.02 -0.38 -0.29 0.00 1.68 0.00 0.00 54.58 55.61 1x3h n ASN 22 Cb 0.46 -3.41 -0.12 0.00 -1.54 0.00 0.00 39.78 35.18 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 -5.04 1.64 -0.55 3.52 0.52 -1.26 -4.85 118.95 112.93 1x3h s ARG 23 Ca 0.07 -1.26 -0.27 0.00 -0.52 0.00 0.00 55.73 53.75 1x3h s ARG 23 Cb -0.03 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 1x3h s ARG 23 CO 0.46 0.46 1.83 -1.25 0.02 0.00 0.00 175.30 176.82 1x3h s PRO 24 N -2.17 2.80 0.09 3.54 0.04 -1.26 -0.98 135.00 137.06 1x3h s PRO 24 Ca 0.17 0.78 -0.27 0.00 0.04 0.00 0.00 61.00 61.71 1x3h s PRO 24 Cb -0.10 -4.34 -0.06 0.00 0.04 0.00 0.00 34.50 30.04 1x3h s PRO 24 CO 0.09 -2.52 0.85 0.14 0.04 0.00 0.00 177.00 175.60 1x3h s VAL 25 N 8.52 4.57 0.22 -0.36 -7.23 -1.21 -4.92 120.40 119.99 1x3h s VAL 25 Ca 0.69 1.83 0.00 0.00 -1.81 0.00 0.00 61.98 62.69 1x3h s VAL 25 Cb -0.14 -4.21 0.00 0.00 0.56 0.00 0.00 36.38 32.59 1x3h s VAL 25 CO 0.24 0.37 0.00 0.18 -0.31 0.00 0.00 175.10 175.57 1x3h n LEU 26 N 2.62 0.24 -4.73 1.32 4.32 -1.26 -4.85 117.00 114.66 1x3h n LEU 26 Ca -0.01 0.37 -0.35 0.00 -0.02 0.00 0.00 56.01 55.99 1x3h n LEU 26 Cb 0.49 0.16 -0.09 0.00 -1.62 0.00 0.00 43.42 42.37 1x3h n LEU 26 CO 0.49 -0.77 -0.26 -1.83 -1.22 0.00 0.00 177.39 173.80 1x3h s GLU 27 N -2.00 3.29 -1.15 3.23 -1.05 -1.26 -4.54 118.70 115.22 1x3h s GLU 27 Ca 0.00 -0.32 -0.01 0.00 -0.15 0.00 0.00 54.97 54.49 1x3h s GLU 27 Cb 0.00 -2.98 -0.02 0.00 -0.44 0.00 0.00 34.13 30.69 1x3h s GLU 27 CO 0.00 0.65 0.97 0.09 0.95 0.00 0.00 175.26 177.91 1x3h n ASN 28 N 2.35 -3.17 -4.48 0.83 3.02 -1.26 -5.02 115.26 107.52 1x3h n ASN 28 Ca -0.19 -0.63 -0.27 0.00 -0.03 0.00 0.00 54.58 53.46 1x3h n ASN 28 Cb 0.54 -5.09 -0.11 0.00 -0.61 0.00 0.00 39.78 34.51 1x3h n ASN 28 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1x3h s TYR 29 N -3.36 2.43 0.40 3.10 1.13 -1.26 -4.13 117.35 115.66 1x3h s TYR 29 Ca 0.11 -0.30 0.08 0.00 -1.41 0.00 0.00 57.07 55.55 1x3h s TYR 29 Cb -0.01 -1.19 -0.02 0.00 -1.10 0.00 0.00 41.96 39.64 1x3h s TYR 29 CO 0.72 0.52 0.39 -0.51 -2.51 0.00 0.00 175.55 174.16 1x3h s LEU 30 N -2.79 3.46 -0.32 -3.49 1.02 -0.85 -4.93 118.68 110.77 1x3h s LEU 30 Ca 0.23 -0.67 -0.01 0.00 0.02 0.00 0.00 54.13 53.70 1x3h s LEU 30 Cb -0.08 -2.15 0.11 0.00 0.02 0.00 0.00 46.19 44.09 1x3h s LEU 30 CO 0.12 -0.62 0.13 -0.44 0.02 0.00 0.00 176.35 175.57 1x3h s SER 31 N -4.13 3.74 0.13 2.29 0.01 -1.26 -1.72 113.70 112.75 1x3h s SER 31 Ca 0.48 -1.68 0.05 0.00 1.31 0.00 0.00 55.95 56.11 1x3h s SER 31 Cb -0.04 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.47 1x3h s SER 31 CO 0.28 -0.40 -0.11 0.00 0.41 0.00 0.00 173.24 173.42 1x3h s ALA 32 N 1.60 1.39 -1.52 1.44 0.00 0.21 -4.83 121.76 120.05 1x3h s ALA 32 Ca 0.11 -1.37 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 1x3h s ALA 32 Cb -0.18 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.00 1x3h s ALA 32 CO -0.24 -0.03 0.50 -1.33 0.00 0.00 0.00 175.76 174.67 1x3h n MET 33 N 0.18 -3.02 -2.11 0.00 2.81 -1.26 0.99 117.12 114.70 1x3h n MET 33 Ca -0.13 0.36 -0.15 0.00 -1.81 0.00 0.00 57.70 55.98 1x3h n MET 33 Cb 0.59 -4.63 -0.02 0.00 -0.71 0.00 0.00 33.22 28.45 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 -2.87 -4.27 -3.18 7.83 8.00 -1.26 -4.90 116.55 115.90 1x3h n ASP 34 Ca -0.18 0.21 -0.17 0.00 0.71 0.00 0.00 54.79 55.35 1x3h n ASP 34 Cb 0.62 -3.70 -0.05 0.00 -0.02 0.00 0.00 41.12 37.97 1x3h n ASP 34 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1x3h s THR 35 N -2.58 0.00 0.24 -3.53 -1.32 0.28 -5.17 115.64 103.55 1x3h s THR 35 Ca 0.00 -1.76 0.07 0.00 -1.21 0.00 0.00 61.69 58.80 1x3h s THR 35 Cb 0.00 -2.62 -0.04 0.00 -1.51 0.00 0.00 72.50 68.33 1x3h s THR 35 CO 0.00 0.00 0.13 0.68 -2.21 0.00 0.00 174.62 173.22 1x3h s VAL 36 N -3.08 4.18 0.35 5.08 -7.23 -1.26 0.66 120.40 119.10 1x3h s VAL 36 Ca 0.35 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 1x3h s VAL 36 Cb 0.00 -3.22 -0.00 0.00 0.56 0.00 0.00 36.38 33.71 1x3h s VAL 36 CO 0.25 -0.30 0.44 0.26 -0.31 0.00 0.00 175.10 175.43 1x3h s TRP 37 N -2.09 1.24 -0.05 2.82 0.52 -0.70 -2.63 118.94 118.04 1x3h s TRP 37 Ca 0.32 -1.40 -0.01 0.00 0.02 0.00 0.00 56.10 55.03 1x3h s TRP 37 Cb -0.08 -0.23 -0.03 0.00 -1.15 0.00 0.00 33.47 31.98 1x3h s TRP 37 CO 0.23 -1.09 0.02 -1.01 0.02 0.00 0.00 176.95 175.12 1x3h s HIS 38 N -3.09 3.18 -2.00 -1.98 3.76 -1.26 -2.01 115.29 111.90 1x3h s HIS 38 Ca 0.33 0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.44 1x3h s HIS 38 Cb 0.00 -1.76 0.07 0.00 1.11 0.00 0.00 32.58 32.00 1x3h s HIS 38 CO 0.22 0.50 0.55 -0.35 -0.85 0.00 0.00 174.74 174.81 1x3h n PRO 39 N 1.81 0.49 0.00 8.40 -0.04 -1.26 -1.41 135.00 142.98 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 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.54 2.62 -0.09 0.54 0.28 -1.26 -4.85 120.64 117.35 1x3h n GLU 40 Ca 0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.80 1x3h n GLU 40 Cb 0.00 -0.83 -0.12 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 -4.40 0.41 -3.95 0.00 7.35 -0.50 -4.78 117.46 111.59 1x3h n PHE 42 Ca -0.29 0.16 -0.11 0.00 -0.76 0.00 0.00 57.45 56.46 1x3h n PHE 42 Cb 0.68 -1.56 -0.02 0.00 0.35 0.00 0.00 39.48 38.93 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 5.57 0.00 1.00 -2.13 -7.23 -1.26 -4.28 120.40 112.07 1x3h s VAL 43 Ca 1.29 -1.29 -0.12 0.00 -1.81 0.00 0.00 61.98 60.05 1x3h s VAL 43 Cb -0.92 -2.61 0.19 0.00 0.56 0.00 0.00 36.38 33.60 1x3h s VAL 43 CO 0.48 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.35 1x3h n GLY 45 N -0.08 -1.04 0.07 0.00 0.00 -1.13 -3.37 105.19 99.64 1x3h n GLY 45 Ca 0.07 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.50 1.63 0.14 1.61 9.92 -1.26 -4.60 116.55 121.49 1x3h n ASP 46 Ca -0.14 0.35 0.12 0.00 -0.53 0.00 0.00 54.79 54.59 1x3h n ASP 46 Cb 0.79 -0.73 0.15 0.00 -0.64 0.00 0.00 41.12 40.69 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 -2.70 -2.25 -3.62 0.00 3.01 -1.22 -4.93 117.46 105.75 1x3h n PHE 48 Ca 0.03 0.91 -0.33 0.00 1.01 0.00 0.00 57.45 59.06 1x3h n PHE 48 Cb 0.51 -4.45 -0.05 0.00 -0.01 0.00 0.00 39.48 35.48 1x3h n PHE 48 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1x3h s THR 49 N -3.45 5.13 0.73 4.37 -1.32 -1.26 -4.59 115.64 115.26 1x3h s THR 49 Ca 0.33 0.26 -0.13 0.00 -1.21 0.00 0.00 61.69 60.94 1x3h s THR 49 Cb -0.16 -3.63 0.04 0.00 -1.51 0.00 0.00 72.50 67.24 1x3h s THR 49 CO 0.79 0.17 1.12 -0.55 -2.21 0.00 0.00 174.62 173.95 1x3h s SER 50 N -2.06 4.59 -0.43 8.08 0.15 -1.26 -2.18 113.70 120.59 1x3h s SER 50 Ca 0.37 1.99 0.04 0.00 0.70 0.00 0.00 55.95 59.05 1x3h s SER 50 Cb -0.13 -2.55 0.44 0.00 -1.71 0.00 0.00 66.02 62.08 1x3h s SER 50 CO 0.21 -1.98 1.39 0.49 1.20 0.00 0.00 173.24 174.54 1x3h n PHE 51 N -3.03 2.98 -2.96 3.44 3.72 -1.26 -4.93 117.46 115.43 1x3h n PHE 51 Ca 0.10 -2.55 -0.24 0.00 -0.05 0.00 0.00 57.45 54.72 1x3h n PHE 51 Cb 0.52 -0.56 0.01 0.00 -0.94 0.00 0.00 39.48 38.51 1x3h n PHE 51 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1x3h s SER 52 N -3.09 5.91 -1.07 4.37 1.04 -1.26 -4.24 113.70 115.35 1x3h s SER 52 Ca 0.53 0.40 -0.12 0.00 0.48 0.00 0.00 55.95 57.25 1x3h s SER 52 Cb 0.43 -1.68 0.11 0.00 0.10 0.00 0.00 66.02 64.98 1x3h s SER 52 CO -0.04 -0.67 0.36 1.07 0.98 0.00 0.00 173.24 174.94 1x3h n THR 53 N -2.10 -0.26 0.00 2.02 5.66 -1.26 -4.63 114.28 113.72 1x3h n THR 53 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1x3h n THR 53 Cb 0.57 -0.67 0.00 0.00 -1.55 0.00 0.00 70.33 68.68 1x3h n THR 53 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x3h n GLY 54 N -0.89 1.95 3.64 1.09 0.00 -1.26 -5.19 105.19 104.53 1x3h n GLY 54 Ca 0.04 0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 2.00 0.06 0.05 1.61 0.15 -1.26 -5.11 113.70 111.20 1x3h s SER 55 Ca 0.00 -1.00 0.04 0.00 0.70 0.00 0.00 55.95 55.68 1x3h s SER 55 Cb 0.00 0.65 -0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1x3h s SER 55 CO 0.00 -1.27 -0.11 0.72 1.20 0.00 0.00 173.24 173.78 1x3h s PHE 56 N -3.62 0.97 -0.15 3.44 -0.71 -1.26 -4.83 117.98 111.81 1x3h s PHE 56 Ca 0.21 -0.45 -0.02 0.00 -1.04 0.00 0.00 56.93 55.63 1x3h s PHE 56 Cb -0.02 -0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 41.21 1x3h s PHE 56 CO 0.11 -0.00 -0.08 -0.06 -1.34 0.00 0.00 175.22 173.85 1x3h s PHE 57 N -1.24 2.93 -0.18 3.49 0.40 -0.54 -4.99 117.98 117.84 1x3h s PHE 57 Ca -0.05 -0.52 -0.14 0.00 -0.60 0.00 0.00 56.93 55.62 1x3h s PHE 57 Cb -0.10 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 1x3h s PHE 57 CO 0.01 -0.17 0.31 -2.00 0.70 0.00 0.00 175.22 174.07 1x3h s GLU 58 N 0.50 4.21 -0.26 0.44 -6.30 -1.26 -0.95 118.70 115.08 1x3h s GLU 58 Ca -0.06 0.09 -0.02 0.00 -2.50 0.00 0.00 54.97 52.48 1x3h s GLU 58 Cb -0.15 -3.48 0.08 0.00 0.00 0.00 0.00 34.13 30.59 1x3h s GLU 58 CO 0.03 0.13 0.06 -1.17 0.02 0.00 0.00 175.26 174.33 1x3h s LEU 59 N 0.82 1.71 -1.01 2.70 2.96 -0.74 -4.81 118.68 120.31 1x3h s LEU 59 Ca 0.16 -1.25 -0.06 0.00 -0.22 0.00 0.00 54.13 52.77 1x3h s LEU 59 Cb -0.14 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.82 1x3h s LEU 59 CO 0.05 -0.36 0.77 -0.67 -1.32 0.00 0.00 176.35 174.82 1x3h n ASP 60 N 4.94 -5.11 -2.37 3.68 2.03 -1.26 -2.92 116.55 115.54 1x3h n ASP 60 Ca -0.06 -0.35 -0.14 0.00 0.52 0.00 0.00 54.79 54.76 1x3h n ASP 60 Cb 0.44 -3.76 0.05 0.00 -0.72 0.00 0.00 41.12 37.13 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 -1.54 0.05 2.98 0.27 0.00 -1.26 -5.03 105.19 100.65 1x3h n GLY 61 Ca -0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.75 0.14 -0.24 1.61 0.52 -1.15 -5.12 118.95 108.96 1x3h s ARG 62 Ca 0.34 0.47 -0.29 0.00 -0.52 0.00 0.00 55.73 55.73 1x3h s ARG 62 Cb -0.15 -0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.14 1x3h s ARG 62 CO 0.44 -0.18 1.62 -1.25 0.02 0.00 0.00 175.30 175.95 1x3h s PRO 63 N 1.35 3.74 0.21 3.54 0.04 -1.26 -1.79 135.00 140.83 1x3h s PRO 63 Ca -0.08 1.60 0.05 0.00 0.04 0.00 0.00 61.00 62.61 1x3h s PRO 63 Cb -0.11 -4.05 -0.05 0.00 0.04 0.00 0.00 34.50 30.33 1x3h s PRO 63 CO -0.07 -1.36 -0.06 -0.06 0.04 0.00 0.00 177.00 175.48 1x3h s PHE 64 N 5.38 1.53 -0.13 0.56 0.08 -0.13 -2.85 117.98 122.42 1x3h s PHE 64 Ca 0.72 -0.80 -0.09 0.00 0.12 0.00 0.00 56.93 56.88 1x3h s PHE 64 Cb -0.24 -0.83 -0.04 0.00 -0.57 0.00 0.00 43.02 41.34 1x3h s PHE 64 CO 0.30 0.09 0.16 0.00 -0.10 0.00 0.00 175.22 175.67 1x3h n GLU 66 N 2.42 -0.15 -0.11 0.00 2.13 -1.26 0.40 120.64 124.06 1x3h n GLU 66 Ca -0.18 0.60 -0.03 0.00 0.66 0.00 0.00 57.16 58.21 1x3h n GLU 66 Cb 0.54 -0.89 -0.03 0.00 0.27 0.00 0.00 31.44 31.33 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 -4.16 -0.28 0.09 4.31 7.94 -1.26 -0.39 117.00 123.24 1x3h n LEU 67 Ca 0.01 0.91 -0.12 0.00 -1.11 0.00 0.00 56.01 55.70 1x3h n LEU 67 Cb 0.09 -0.28 -0.08 0.00 0.53 0.00 0.00 43.42 43.68 1x3h n LEU 67 CO -0.06 -0.61 0.45 0.45 -1.11 0.00 0.00 177.39 176.52 1x3h h HIS 68 N 0.00 -0.27 -0.66 1.96 3.86 -0.88 -2.71 115.15 116.46 1x3h h HIS 68 Ca 0.04 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.32 1x3h h HIS 68 Cb 0.11 0.09 -0.09 0.00 1.06 0.00 0.00 27.41 28.58 1x3h h HIS 68 CO -0.69 0.12 -0.34 0.98 0.86 0.00 0.00 177.93 178.86 1x3h n TYR 69 N -5.00 -0.19 0.09 2.45 9.36 0.16 0.28 117.16 124.32 1x3h n TYR 69 Ca -0.08 0.82 -0.13 0.00 3.32 0.00 0.00 57.90 61.82 1x3h n TYR 69 Cb 0.26 -0.62 -0.08 0.00 -0.63 0.00 0.00 39.34 38.27 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 -0.19 -0.96 2.98 3.86 -0.81 -2.79 115.15 117.24 1x3h h HIS 70 Ca 0.15 -0.00 0.29 0.00 -1.16 0.00 0.00 60.37 59.64 1x3h h HIS 70 Cb 0.31 0.06 -0.15 0.00 1.06 0.00 0.00 27.41 28.70 1x3h h HIS 70 CO -0.64 0.04 0.45 1.25 0.86 0.00 0.00 177.93 179.89 1x3h h HIS 71 N -0.40 0.72 -0.18 2.45 -0.00 0.18 0.22 115.15 118.14 1x3h h HIS 71 Ca -0.02 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 1x3h h HIS 71 Cb 0.32 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1x3h h HIS 71 CO -0.01 -0.19 0.04 0.00 -0.00 0.00 0.00 177.93 177.78 1x3h h ARG 72 N 0.29 0.29 -0.41 5.26 3.08 -0.41 -3.11 114.38 119.36 1x3h h ARG 72 Ca 0.67 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.73 1x3h h ARG 72 Cb 1.47 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 31.41 1x3h h ARG 72 CO -0.62 0.42 -0.06 0.00 -1.07 0.00 0.00 179.97 178.64 1x3h h ARG 73 N 0.10 0.04 -3.75 0.04 3.08 -0.33 -3.29 114.38 110.27 1x3h h ARG 73 Ca 0.06 -0.00 -0.76 0.00 0.07 0.00 0.00 59.98 59.35 1x3h h ARG 73 Cb 0.27 -0.01 -0.29 0.00 0.08 0.00 0.00 29.97 30.02 1x3h h ARG 73 CO 0.00 0.03 -0.08 0.20 -1.07 0.00 0.00 179.97 179.05 1x3h s GLY 74 N -3.02 2.59 -0.22 0.04 0.00 -0.73 -5.03 107.32 100.96 1x3h s GLY 74 Ca -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 44.72 41.26 1x3h s GLY 74 CO 0.71 1.20 -0.02 -0.45 0.00 0.00 0.00 173.10 174.54 1x3h s SER 75 N 1.66 4.50 0.00 1.64 0.15 -1.24 -4.79 113.70 115.62 1x3h s SER 75 Ca 0.17 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1x3h s SER 75 Cb -0.14 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 1x3h s SER 75 CO -0.07 0.00 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1x3h n GLY 76 N 4.65 3.51 0.18 9.45 0.00 -1.26 -5.01 105.19 116.70 1x3h n GLY 76 Ca -0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.53 1x3h n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3h h PRO 77 N 0.00 0.13 -5.54 1.61 0.13 -2.04 -3.41 132.00 122.88 1x3h h PRO 77 Ca 0.00 -0.07 -0.25 0.00 -0.87 0.00 0.00 66.00 64.81 1x3h h PRO 77 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x3h h PRO 77 CO 0.00 0.58 0.84 0.45 -0.23 0.00 0.00 178.00 179.64 1x3h s SER 78 N -6.89 4.31 1.01 1.44 0.15 -1.26 -4.93 113.70 107.54 1x3h s SER 78 Ca -0.03 0.43 -0.12 0.00 0.70 0.00 0.00 55.95 56.93 1x3h s SER 78 Cb 0.13 -2.53 0.20 0.00 -1.71 0.00 0.00 66.02 62.11 1x3h s SER 78 CO 0.76 -3.27 1.08 -0.55 1.20 0.00 0.00 173.24 172.46 1x3h s SER 79 N 10.99 2.43 0.00 5.45 0.15 -1.26 -5.04 113.70 126.43 1x3h s SER 79 Ca 0.91 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.95 1x3h s SER 79 Cb -0.14 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1x3h s SER 79 CO 0.16 -3.28 0.00 0.61 1.20 0.00 0.00 173.24 171.93