#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 -0.32 0.26 1.61 0.15 -1.26 -5.19 113.70 108.95 1x3h s SER 2 Ca 0.00 0.56 -0.21 0.00 0.70 0.00 0.00 55.95 57.01 1x3h s SER 2 Cb 0.00 0.84 0.06 0.00 -1.71 0.00 0.00 66.02 65.21 1x3h s SER 2 CO 0.00 -0.09 0.90 -0.44 1.20 0.00 0.00 173.24 174.80 1x3h s SER 3 N 0.67 -0.08 0.00 5.45 0.01 -1.26 -5.18 113.70 113.32 1x3h s SER 3 Ca -0.02 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1x3h s SER 3 Cb -0.04 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1x3h s SER 3 CO -0.12 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 172.90 1x3h n GLY 4 N -0.56 2.68 3.33 3.44 0.00 -1.26 -5.16 105.19 107.66 1x3h n GLY 4 Ca -0.06 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.18 1x3h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x3h s SER 5 N 0.00 -1.22 0.19 1.61 1.04 -1.26 -5.17 113.70 108.89 1x3h s SER 5 Ca 0.00 1.08 0.01 0.00 0.48 0.00 0.00 55.95 57.52 1x3h s SER 5 Cb 0.00 2.15 -0.05 0.00 0.10 0.00 0.00 66.02 68.22 1x3h s SER 5 CO 0.00 -0.23 0.04 -0.55 0.98 0.00 0.00 173.24 173.48 1x3h s SER 6 N 2.86 1.02 0.00 7.02 0.15 -1.26 -5.12 113.70 118.37 1x3h s SER 6 Ca 0.10 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.51 1x3h s SER 6 Cb -0.13 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1x3h s SER 6 CO -0.20 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.21 1x3h n GLY 7 N -0.27 2.44 3.62 9.45 0.00 -1.26 -5.16 105.19 114.01 1x3h n GLY 7 Ca -0.04 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 1x3h n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x3h s LYS 8 N -5.21 0.46 -0.60 1.61 0.00 -1.26 -5.10 119.74 109.64 1x3h s LYS 8 Ca 0.00 0.35 -0.26 0.00 0.00 0.00 0.00 55.97 56.06 1x3h s LYS 8 Cb 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 37.83 38.00 1x3h s LYS 8 CO 0.00 -0.10 2.11 -0.51 0.00 0.00 0.00 175.35 176.86 1x3h s ASP 9 N -0.34 4.84 -0.17 0.03 1.01 -1.26 -4.79 116.67 116.00 1x3h s ASP 9 Ca 0.02 0.51 -0.17 0.00 0.71 0.00 0.00 52.55 53.62 1x3h s ASP 9 Cb -0.03 -2.52 -0.13 0.00 1.01 0.00 0.00 42.92 41.25 1x3h s ASP 9 CO -0.05 -2.71 0.12 0.15 0.21 0.00 0.00 175.17 172.90 1x3h h PHE 10 N 16.25 0.00 -0.85 4.23 3.04 -2.06 -3.48 116.94 134.07 1x3h h PHE 10 Ca -0.20 0.00 0.11 0.00 3.98 0.00 0.00 57.97 61.86 1x3h h PHE 10 Cb 1.18 0.00 -0.21 0.00 2.56 0.00 0.00 35.95 39.48 1x3h h PHE 10 CO 1.04 0.84 -0.20 -1.17 -2.02 0.00 0.00 178.31 176.79 1x3h s LEU 11 N -8.07 -1.22 -0.43 0.59 2.96 -1.26 -5.04 118.68 106.20 1x3h s LEU 11 Ca -0.21 0.66 0.04 0.00 -0.22 0.00 0.00 54.13 54.40 1x3h s LEU 11 Cb 0.03 1.98 0.45 0.00 0.50 0.00 0.00 46.19 49.15 1x3h s LEU 11 CO 0.43 -0.23 1.44 0.00 -1.32 0.00 0.00 176.35 176.68 1x3h n ALA 12 N 5.43 5.44 -3.43 5.97 0.00 -1.26 -4.98 120.51 127.69 1x3h n ALA 12 Ca -0.01 -3.79 -0.13 0.00 0.00 0.00 0.00 53.44 49.51 1x3h n ALA 12 Cb 0.52 -0.80 -0.12 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.68 0.24 0.21 0.00 0.23 -1.26 -5.17 119.30 109.87 1x3h s MET 13 Ca 0.54 0.43 0.08 0.00 -1.03 0.00 0.00 55.69 55.71 1x3h s MET 13 Cb 0.44 0.01 -0.04 0.00 -1.53 0.00 0.00 34.83 33.70 1x3h s MET 13 CO -0.02 -0.10 0.03 -0.59 -2.03 0.00 0.00 175.02 172.30 1x3h s PHE 14 N 0.70 2.85 -0.05 3.16 -0.12 -1.26 -5.13 117.98 118.12 1x3h s PHE 14 Ca -0.05 -0.15 -0.29 0.00 -0.05 0.00 0.00 56.93 56.39 1x3h s PHE 14 Cb -0.06 -1.34 0.09 0.00 -0.63 0.00 0.00 43.02 41.08 1x3h s PHE 14 CO -0.04 0.54 0.80 -1.12 -0.05 0.00 0.00 175.22 175.35 1x3h s SER 15 N -3.24 -0.52 0.84 1.98 0.01 -1.26 -5.17 113.70 106.35 1x3h s SER 15 Ca 0.29 0.42 -0.11 0.00 1.31 0.00 0.00 55.95 57.86 1x3h s SER 15 Cb -0.08 0.45 0.10 0.00 0.21 0.00 0.00 66.02 66.69 1x3h s SER 15 CO 0.20 -0.58 1.09 -2.16 0.41 0.00 0.00 173.24 172.20 1x3h s PRO 16 N -1.78 1.69 0.04 12.44 0.04 -1.26 -4.98 135.00 141.18 1x3h s PRO 16 Ca -0.04 0.97 0.01 0.00 0.04 0.00 0.00 61.00 61.98 1x3h s PRO 16 Cb -0.00 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1x3h s PRO 16 CO 0.02 -1.98 -0.06 0.15 0.04 0.00 0.00 177.00 175.17 1x3h s LYS 17 N -4.92 0.47 0.26 4.56 1.02 -1.26 -3.50 119.74 116.38 1x3h s LYS 17 Ca 0.62 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 55.54 1x3h s LYS 17 Cb -0.18 -0.10 -0.14 0.00 -0.52 0.00 0.00 37.83 36.89 1x3h s LYS 17 CO 0.57 -0.00 1.13 0.00 -0.92 0.00 0.00 175.35 176.12 1x3h n GLY 19 N 1.52 2.41 1.93 0.00 0.00 -0.92 -1.99 105.19 108.14 1x3h n GLY 19 Ca 0.11 0.00 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 1.33 -0.24 0.02 -0.02 0.00 -1.26 -4.93 105.19 100.09 1x3h n GLY 20 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.23 -3.13 -4.57 0.00 5.15 -0.84 -5.01 115.26 104.62 1x3h n ASN 22 Ca -0.06 -0.19 -0.26 0.00 -0.60 0.00 0.00 54.58 53.47 1x3h n ASN 22 Cb 0.57 -2.04 -0.09 0.00 -0.53 0.00 0.00 39.78 37.68 1x3h n ASN 22 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1x3h s ARG 23 N -5.21 2.06 -0.52 1.20 0.52 -1.26 -4.83 118.95 110.91 1x3h s ARG 23 Ca 0.15 -1.30 -0.27 0.00 -0.52 0.00 0.00 55.73 53.79 1x3h s ARG 23 Cb -0.07 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.24 1x3h s ARG 23 CO 0.25 0.43 1.81 -1.25 0.02 0.00 0.00 175.30 176.55 1x3h s PRO 24 N -2.91 2.88 -0.19 3.54 0.04 -1.26 -1.24 135.00 135.86 1x3h s PRO 24 Ca 0.25 0.84 -0.20 0.00 0.04 0.00 0.00 61.00 61.94 1x3h s PRO 24 Cb -0.08 -4.31 -0.03 0.00 0.04 0.00 0.00 34.50 30.12 1x3h s PRO 24 CO 0.15 -2.42 0.59 0.14 0.04 0.00 0.00 177.00 175.51 1x3h s VAL 25 N 8.24 5.06 0.00 -0.36 -7.23 -1.23 -4.89 120.40 119.99 1x3h s VAL 25 Ca 0.70 1.11 0.00 0.00 -1.81 0.00 0.00 61.98 61.98 1x3h s VAL 25 Cb -0.15 -3.91 0.00 0.00 0.56 0.00 0.00 36.38 32.88 1x3h s VAL 25 CO 0.25 0.15 0.00 0.18 -0.31 0.00 0.00 175.10 175.37 1x3h n LEU 26 N 4.85 0.93 -4.83 1.32 4.77 -1.26 -4.88 117.00 117.90 1x3h n LEU 26 Ca -0.03 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 1x3h n LEU 26 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1x3h n LEU 26 CO 0.43 0.06 -0.22 -1.83 -1.33 0.00 0.00 177.39 174.51 1x3h s GLU 27 N -1.80 3.21 -1.47 3.23 -1.05 -1.26 -4.53 118.70 115.03 1x3h s GLU 27 Ca 0.00 -0.41 -0.04 0.00 -0.15 0.00 0.00 54.97 54.37 1x3h s GLU 27 Cb 0.00 -2.95 0.00 0.00 -0.44 0.00 0.00 34.13 30.74 1x3h s GLU 27 CO 0.00 0.66 0.21 0.09 0.95 0.00 0.00 175.26 177.17 1x3h n ASN 28 N 1.16 -0.06 -4.68 0.83 3.02 -1.26 -4.94 115.26 109.34 1x3h n ASN 28 Ca -0.13 -1.20 -0.28 0.00 -0.03 0.00 0.00 54.58 52.95 1x3h n ASN 28 Cb 0.53 -2.06 -0.08 0.00 -0.61 0.00 0.00 39.78 37.56 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 -4.16 2.92 0.40 3.10 1.13 -1.26 -4.09 117.35 115.38 1x3h s TYR 29 Ca 0.06 -0.09 0.08 0.00 -1.41 0.00 0.00 57.07 55.71 1x3h s TYR 29 Cb -0.03 -1.45 -0.02 0.00 -1.10 0.00 0.00 41.96 39.36 1x3h s TYR 29 CO 0.96 0.50 0.36 -0.51 -2.51 0.00 0.00 175.55 174.35 1x3h s LEU 30 N -2.70 3.46 -0.32 -3.49 1.02 -0.95 -4.94 118.68 110.75 1x3h s LEU 30 Ca 0.27 -0.67 -0.01 0.00 0.02 0.00 0.00 54.13 53.74 1x3h s LEU 30 Cb -0.10 -2.12 0.11 0.00 0.02 0.00 0.00 46.19 44.09 1x3h s LEU 30 CO 0.19 -0.58 0.13 -0.44 0.02 0.00 0.00 176.35 175.67 1x3h s SER 31 N -4.10 3.79 0.14 2.29 0.01 -1.26 -1.74 113.70 112.83 1x3h s SER 31 Ca 0.47 -1.71 0.05 0.00 1.31 0.00 0.00 55.95 56.06 1x3h s SER 31 Cb -0.04 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 1x3h s SER 31 CO 0.28 -0.40 -0.12 0.00 0.41 0.00 0.00 173.24 173.42 1x3h s ALA 32 N 1.55 1.47 -1.52 1.44 0.00 0.17 -4.82 121.76 120.04 1x3h s ALA 32 Ca 0.11 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.60 1x3h s ALA 32 Cb -0.18 0.00 0.05 0.00 0.00 0.00 0.00 23.12 22.99 1x3h s ALA 32 CO -0.23 -0.02 0.46 -1.33 0.00 0.00 0.00 175.76 174.63 1x3h n MET 33 N 0.08 -2.83 -2.26 0.00 2.81 -1.26 0.10 117.12 113.77 1x3h n MET 33 Ca -0.12 0.34 -0.14 0.00 -1.81 0.00 0.00 57.70 55.97 1x3h n MET 33 Cb 0.59 -4.54 -0.02 0.00 -0.71 0.00 0.00 33.22 28.55 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 -4.11 -2.90 7.83 9.92 -1.26 -4.90 116.55 118.25 1x3h n ASP 34 Ca -0.20 0.19 -0.15 0.00 -0.53 0.00 0.00 54.79 54.11 1x3h n ASP 34 Cb 0.63 -3.53 -0.04 0.00 -0.64 0.00 0.00 41.12 37.53 1x3h n ASP 34 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1x3h n THR 35 N -3.21 0.00 -4.14 -3.53 5.66 0.28 -5.18 114.28 104.17 1x3h n THR 35 Ca -0.16 -1.82 -0.22 0.00 -3.05 0.00 0.00 64.05 58.80 1x3h n THR 35 Cb 0.59 1.04 -0.05 0.00 -1.55 0.00 0.00 70.33 70.37 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 -2.92 4.31 0.35 1.08 -7.23 -1.26 0.42 120.40 115.15 1x3h s VAL 36 Ca 0.30 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 59.01 1x3h s VAL 36 Cb -0.00 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.63 1x3h s VAL 36 CO 0.21 -0.33 0.46 0.79 -0.31 0.00 0.00 175.10 175.92 1x3h n TRP 37 N -1.07 -1.37 -4.50 2.82 7.02 -0.71 -2.15 117.44 117.48 1x3h n TRP 37 Ca -0.08 -2.41 -0.33 0.00 -1.02 0.00 0.00 57.50 53.66 1x3h n TRP 37 Cb 0.58 0.52 -0.11 0.00 -2.42 0.00 0.00 31.31 29.88 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 -2.97 2.92 -2.00 -5.99 3.76 -1.26 -2.23 115.29 107.52 1x3h s HIS 38 Ca 0.30 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.21 1x3h s HIS 38 Cb -0.01 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 32.03 1x3h s HIS 38 CO 0.22 0.37 0.49 -0.35 -0.85 0.00 0.00 174.74 174.61 1x3h n PRO 39 N 1.78 0.49 0.00 8.40 -0.04 -1.26 -1.35 135.00 143.02 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 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.50 1.84 -0.01 0.54 0.28 -1.26 -4.84 120.64 116.69 1x3h n GLU 40 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.79 1x3h n GLU 40 Cb 0.00 -0.78 -0.14 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 -4.01 0.58 -4.24 0.00 7.35 -0.45 -4.79 117.46 111.90 1x3h n PHE 42 Ca -0.25 -0.04 -0.16 0.00 -0.76 0.00 0.00 57.45 56.24 1x3h n PHE 42 Cb 0.85 -1.66 -0.09 0.00 0.35 0.00 0.00 39.48 38.94 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 8.66 0.00 0.96 -2.13 -7.23 -1.26 -4.69 120.40 114.71 1x3h s VAL 43 Ca 0.87 -1.98 -0.12 0.00 -1.81 0.00 0.00 61.98 58.95 1x3h s VAL 43 Cb -0.30 -2.50 0.17 0.00 0.56 0.00 0.00 36.38 34.30 1x3h s VAL 43 CO 0.23 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 176.11 1x3h n GLY 45 N -0.59 -1.15 0.05 0.00 0.00 -1.23 -3.34 105.19 98.94 1x3h n GLY 45 Ca 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 0.94 0.17 1.61 8.00 -1.26 -4.63 116.55 118.88 1x3h n ASP 46 Ca -0.07 0.16 0.12 0.00 0.71 0.00 0.00 54.79 55.71 1x3h n ASP 46 Cb 0.67 -0.61 0.25 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.76 -1.98 -3.48 0.00 3.72 -1.21 -4.93 117.46 106.81 1x3h n PHE 48 Ca 0.04 0.81 -0.32 0.00 -0.05 0.00 0.00 57.45 57.93 1x3h n PHE 48 Cb 0.49 -4.32 -0.05 0.00 -0.94 0.00 0.00 39.48 34.66 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 -3.60 4.99 -1.61 4.37 -1.32 -1.26 -4.61 115.64 112.59 1x3h s THR 49 Ca 0.09 0.37 0.01 0.00 -1.21 0.00 0.00 61.69 60.95 1x3h s THR 49 Cb -0.02 -3.62 0.05 0.00 -1.51 0.00 0.00 72.50 67.40 1x3h s THR 49 CO 0.80 -0.03 0.87 -0.24 -2.21 0.00 0.00 174.62 173.82 1x3h n SER 50 N -0.04 0.67 -3.77 8.08 2.88 -1.26 -2.20 113.62 117.98 1x3h n SER 50 Ca -0.01 -2.02 -0.29 0.00 -1.33 0.00 0.00 58.87 55.22 1x3h n SER 50 Cb 0.52 -0.21 -0.02 0.00 -0.75 0.00 0.00 64.21 63.75 1x3h n SER 50 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1x3h n PHE 51 N -0.20 -1.76 -1.34 0.66 3.72 -1.26 -4.68 117.46 112.60 1x3h n PHE 51 Ca 0.02 0.61 -0.60 0.00 -0.05 0.00 0.00 57.45 57.43 1x3h n PHE 51 Cb 0.14 -2.80 -0.11 0.00 -0.94 0.00 0.00 39.48 35.77 1x3h n PHE 51 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1x3h n SER 52 N -2.42 0.84 -3.95 4.37 3.41 -1.26 0.21 113.62 114.82 1x3h n SER 52 Ca 0.04 0.78 -0.32 0.00 -0.26 0.00 0.00 58.87 59.12 1x3h n SER 52 Cb 0.51 -0.87 -0.07 0.00 -0.26 0.00 0.00 64.21 63.52 1x3h n SER 52 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x3h n THR 53 N 5.72 -0.24 -3.68 6.66 -2.24 -1.26 -4.87 114.28 114.37 1x3h n THR 53 Ca 0.48 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.85 1x3h n THR 53 Cb -0.04 -0.52 -0.16 0.00 -2.10 0.00 0.00 70.33 67.51 1x3h n THR 53 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x3h s GLY 54 N -3.20 0.77 -0.04 3.38 0.00 0.13 -5.10 107.32 103.26 1x3h s GLY 54 Ca 0.47 -1.14 -0.34 0.00 0.00 0.00 0.00 44.72 43.70 1x3h s GLY 54 CO 0.82 1.68 0.95 -1.26 0.00 0.00 0.00 173.10 175.29 1x3h n SER 55 N 5.04 0.08 -4.97 1.64 2.88 -1.26 -4.78 113.62 112.25 1x3h n SER 55 Ca -0.05 0.99 -0.22 0.00 -1.33 0.00 0.00 58.87 58.26 1x3h n SER 55 Cb 0.44 -0.78 0.02 0.00 -0.75 0.00 0.00 64.21 63.14 1x3h n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1x3h s PHE 56 N 0.22 3.08 -0.03 0.66 -0.71 -1.26 -4.65 117.98 115.30 1x3h s PHE 56 Ca 0.78 0.08 0.06 0.00 -1.04 0.00 0.00 56.93 56.82 1x3h s PHE 56 Cb -1.10 -2.41 -0.01 0.00 -1.21 0.00 0.00 43.02 38.29 1x3h s PHE 56 CO 0.50 -0.47 -0.21 -0.06 -1.34 0.00 0.00 175.22 173.63 1x3h s PHE 57 N -2.56 1.97 -0.26 3.49 0.40 -1.03 -4.97 117.98 115.01 1x3h s PHE 57 Ca 0.51 -0.43 -0.15 0.00 -0.60 0.00 0.00 56.93 56.26 1x3h s PHE 57 Cb -0.10 -1.28 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 1x3h s PHE 57 CO 0.37 -0.08 0.37 -2.00 0.70 0.00 0.00 175.22 174.58 1x3h s GLU 58 N -0.38 4.04 -0.29 0.44 2.12 -1.26 -2.46 118.70 120.91 1x3h s GLU 58 Ca 0.05 0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.45 1x3h s GLU 58 Cb -0.09 -3.64 0.08 0.00 0.26 0.00 0.00 34.13 30.74 1x3h s GLU 58 CO 0.00 -0.24 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.30 1x3h s LEU 59 N 1.95 3.44 -1.37 2.70 2.96 -0.67 -4.75 118.68 122.94 1x3h s LEU 59 Ca 0.15 -1.61 -0.09 0.00 -0.22 0.00 0.00 54.13 52.35 1x3h s LEU 59 Cb -0.16 -1.37 0.02 0.00 0.50 0.00 0.00 46.19 45.18 1x3h s LEU 59 CO 0.09 -0.30 1.17 0.47 -1.32 0.00 0.00 176.35 176.47 1x3h n ASP 60 N 4.50 -6.29 -2.33 3.68 9.92 -1.26 -2.24 116.55 122.54 1x3h n ASP 60 Ca -0.06 -0.56 -0.14 0.00 -0.53 0.00 0.00 54.79 53.50 1x3h n ASP 60 Cb 0.43 -4.95 0.05 0.00 -0.64 0.00 0.00 41.12 36.00 1x3h n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x3h n GLY 61 N -1.99 0.05 3.00 0.44 0.00 -1.26 -5.03 105.19 100.40 1x3h n GLY 61 Ca 0.01 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.76 0.16 0.17 1.61 0.52 -0.95 -5.14 118.95 109.57 1x3h s ARG 62 Ca 0.34 0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 55.67 1x3h s ARG 62 Cb -0.15 -0.11 -0.08 0.00 0.52 0.00 0.00 34.95 35.13 1x3h s ARG 62 CO 0.42 -0.14 1.32 -1.25 0.02 0.00 0.00 175.30 175.67 1x3h s PRO 63 N 1.04 4.38 0.24 3.54 0.04 -1.26 -1.67 135.00 141.31 1x3h s PRO 63 Ca -0.08 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.87 1x3h s PRO 63 Cb -0.09 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.23 1x3h s PRO 63 CO -0.06 -0.29 0.47 -0.06 0.04 0.00 0.00 177.00 177.10 1x3h s PHE 64 N 0.37 0.31 -0.18 0.56 0.08 -1.03 -3.49 117.98 114.60 1x3h s PHE 64 Ca 0.58 -0.67 -0.08 0.00 0.12 0.00 0.00 56.93 56.88 1x3h s PHE 64 Cb -0.36 0.20 -0.04 0.00 -0.57 0.00 0.00 43.02 42.24 1x3h s PHE 64 CO 0.36 -0.97 0.08 0.00 -0.10 0.00 0.00 175.22 174.59 1x3h n GLU 66 N 3.49 -0.14 -0.28 0.00 2.13 -1.26 0.63 120.64 125.21 1x3h n GLU 66 Ca -0.16 0.59 -0.07 0.00 0.66 0.00 0.00 57.16 58.17 1x3h n GLU 66 Cb 0.52 -0.87 -0.07 0.00 0.27 0.00 0.00 31.44 31.29 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 -4.52 -0.71 -0.06 4.31 7.94 -1.26 -1.01 117.00 121.69 1x3h n LEU 67 Ca 0.02 1.40 -0.14 0.00 -1.11 0.00 0.00 56.01 56.18 1x3h n LEU 67 Cb 0.12 -0.26 -0.07 0.00 0.53 0.00 0.00 43.42 43.75 1x3h n LEU 67 CO -0.06 -1.07 0.54 0.45 -1.11 0.00 0.00 177.39 176.14 1x3h h HIS 68 N 0.00 0.61 -0.35 1.96 3.86 -0.21 -3.22 115.15 117.80 1x3h h HIS 68 Ca 0.11 -0.20 0.03 0.00 -1.16 0.00 0.00 60.37 59.15 1x3h h HIS 68 Cb 0.27 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 1x3h h HIS 68 CO -0.89 0.90 -0.21 0.98 0.86 0.00 0.00 177.93 179.57 1x3h n TYR 69 N -4.40 -0.16 -0.03 2.45 9.36 0.91 0.52 117.16 125.82 1x3h n TYR 69 Ca -0.06 0.44 -0.09 0.00 3.32 0.00 0.00 57.90 61.52 1x3h n TYR 69 Cb 0.45 -0.45 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 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 0.00 -0.57 2.98 3.86 -1.49 -2.04 115.15 117.89 1x3h h HIS 70 Ca 0.06 0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.39 1x3h h HIS 70 Cb 0.15 0.03 -0.11 0.00 1.06 0.00 0.00 27.41 28.53 1x3h h HIS 70 CO -0.63 -0.02 -0.29 1.25 0.86 0.00 0.00 177.93 179.11 1x3h h HIS 71 N 0.07 -0.77 -0.31 2.45 -0.00 0.07 -0.47 115.15 116.20 1x3h h HIS 71 Ca 0.08 0.07 0.02 0.00 -0.00 0.00 0.00 60.37 60.54 1x3h h HIS 71 Cb 0.10 0.42 -0.03 0.00 -0.00 0.00 0.00 27.41 27.91 1x3h h HIS 71 CO -0.16 -0.36 0.15 0.00 -0.00 0.00 0.00 177.93 177.56 1x3h h ARG 72 N -0.14 0.31 -0.85 5.26 3.08 -0.35 -2.51 114.38 119.18 1x3h h ARG 72 Ca 0.24 -0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.49 1x3h h ARG 72 Cb 0.53 -0.07 -0.14 0.00 0.08 0.00 0.00 29.97 30.37 1x3h h ARG 72 CO -0.65 0.20 0.13 0.00 -1.07 0.00 0.00 179.97 178.58 1x3h h ARG 73 N 0.32 0.14 0.00 0.04 3.08 -0.38 0.23 114.38 117.81 1x3h h ARG 73 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1x3h h ARG 73 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1x3h h ARG 73 CO -0.09 0.10 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1x3h n GLY 74 N -1.41 -1.94 0.39 0.04 0.00 -0.89 -4.25 105.19 97.13 1x3h n GLY 74 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1x3h n GLY 74 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x3h h SER 75 N 0.00 -1.74 -5.00 1.61 0.87 -1.58 -3.48 113.55 104.23 1x3h h SER 75 Ca 0.00 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1x3h h SER 75 Cb 0.00 0.73 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1x3h h SER 75 CO 0.00 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 176.60 1x3h n GLY 76 N -1.30 2.65 0.08 5.77 0.00 0.81 -4.69 105.19 108.50 1x3h n GLY 76 Ca -0.02 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 0.80 0.49 -3.30 1.61 -0.04 -1.26 -4.78 135.00 128.51 1x3h n PRO 77 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1x3h n PRO 77 Cb 0.00 -1.04 0.07 0.00 -0.04 0.00 0.00 33.50 32.49 1x3h n PRO 77 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x3h n SER 78 N -0.38 -4.29 -4.72 3.54 7.64 -1.26 -4.95 113.62 109.20 1x3h n SER 78 Ca 0.00 -0.46 -0.42 0.00 1.01 0.00 0.00 58.87 59.00 1x3h n SER 78 Cb 0.02 -4.19 -0.03 0.00 -1.01 0.00 0.00 64.21 59.00 1x3h n SER 78 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x3h s SER 79 N -3.56 6.89 0.00 6.43 1.04 -1.26 -5.31 113.70 117.93 1x3h s SER 79 Ca 0.31 2.28 0.10 0.00 0.48 0.00 0.00 55.95 59.12 1x3h s SER 79 Cb -0.13 -2.59 0.60 0.00 0.10 0.00 0.00 66.02 64.00 1x3h s SER 79 CO 0.59 -0.59 1.04 0.61 0.98 0.00 0.00 173.24 175.87