#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 -0.62 0.03 1.61 0.01 -1.26 -5.18 113.70 108.29 1x3h s SER 2 Ca 0.00 0.68 -0.27 0.00 1.31 0.00 0.00 55.95 57.67 1x3h s SER 2 Cb 0.00 0.52 0.09 0.00 0.21 0.00 0.00 66.02 66.84 1x3h s SER 2 CO 0.00 -0.57 0.80 -0.44 0.41 0.00 0.00 173.24 173.44 1x3h s SER 3 N -1.17 -0.44 -0.20 2.44 0.01 -1.26 -5.19 113.70 107.89 1x3h s SER 3 Ca -0.10 0.07 -0.33 0.00 1.31 0.00 0.00 55.95 56.91 1x3h s SER 3 Cb -0.00 0.45 0.15 0.00 0.21 0.00 0.00 66.02 66.83 1x3h s SER 3 CO 0.09 -0.71 1.20 -0.83 0.41 0.00 0.00 173.24 173.40 1x3h s GLY 4 N -2.39 -0.20 0.19 3.44 0.00 -1.26 -5.19 107.32 101.92 1x3h s GLY 4 Ca 0.02 1.95 -0.22 0.00 0.00 0.00 0.00 44.72 46.48 1x3h s GLY 4 CO -0.08 0.75 0.61 -0.56 0.00 0.00 0.00 173.10 173.82 1x3h s SER 5 N -1.73 -0.44 -0.30 1.64 0.01 -1.26 -5.17 113.70 106.46 1x3h s SER 5 Ca 0.07 -0.23 -0.15 0.00 1.31 0.00 0.00 55.95 56.96 1x3h s SER 5 Cb -0.01 0.63 0.16 0.00 0.21 0.00 0.00 66.02 67.01 1x3h s SER 5 CO -0.05 -1.07 0.98 -0.55 0.41 0.00 0.00 173.24 172.96 1x3h s SER 6 N -2.81 -0.59 0.00 2.44 0.15 -1.26 -5.15 113.70 106.48 1x3h s SER 6 Ca 0.05 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1x3h s SER 6 Cb -0.02 1.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.96 1x3h s SER 6 CO -0.07 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1x3h n GLY 7 N 5.00 0.85 3.79 9.45 0.00 -1.26 -5.19 105.19 117.83 1x3h n GLY 7 Ca -0.09 0.58 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 1.93 0.10 1.61 0.00 -1.26 -5.07 119.74 117.04 1x3h s LYS 8 Ca 0.00 -1.23 -0.31 0.00 0.00 0.00 0.00 55.97 54.43 1x3h s LYS 8 Cb 0.00 0.59 -0.13 0.00 0.00 0.00 0.00 37.83 38.29 1x3h s LYS 8 CO 0.00 -0.88 1.50 -0.44 0.00 0.00 0.00 175.35 175.53 1x3h h ASP 9 N 2.04 -1.47 -4.29 0.03 3.32 -2.03 -3.47 116.42 110.55 1x3h h ASP 9 Ca -0.25 0.16 -0.23 0.00 0.02 0.00 0.00 57.03 56.72 1x3h h ASP 9 Cb 1.25 0.54 0.10 0.00 0.22 0.00 0.00 39.33 41.45 1x3h h ASP 9 CO 0.32 -0.50 -0.48 0.33 -1.72 0.00 0.00 179.24 177.19 1x3h n PHE 10 N -5.19 -1.59 -3.60 4.55 7.35 -1.26 -3.06 117.46 114.66 1x3h n PHE 10 Ca -0.08 0.63 -0.23 0.00 -0.76 0.00 0.00 57.45 57.01 1x3h n PHE 10 Cb 0.37 -3.86 0.08 0.00 0.35 0.00 0.00 39.48 36.42 1x3h n PHE 10 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1x3h n LEU 11 N -3.18 -3.44 -4.20 -2.13 4.77 -1.26 -5.00 117.00 102.56 1x3h n LEU 11 Ca -0.12 -0.56 -0.23 0.00 -0.03 0.00 0.00 56.01 55.07 1x3h n LEU 11 Cb 0.58 -3.02 -0.14 0.00 -2.33 0.00 0.00 43.42 38.51 1x3h n LEU 11 CO 0.41 0.62 -0.50 0.00 -1.33 0.00 0.00 177.39 176.58 1x3h s ALA 12 N -3.33 1.51 -0.09 -1.18 0.00 -1.17 -5.08 121.76 112.42 1x3h s ALA 12 Ca 0.52 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 1x3h s ALA 12 Cb -0.23 -0.27 0.08 0.00 0.00 0.00 0.00 23.12 22.70 1x3h s ALA 12 CO 0.74 0.32 0.75 -1.64 0.00 0.00 0.00 175.76 175.93 1x3h s MET 13 N -1.16 0.94 0.18 0.00 -1.94 -1.26 -4.90 119.30 111.17 1x3h s MET 13 Ca 0.05 0.29 -0.13 0.00 -1.71 0.00 0.00 55.69 54.19 1x3h s MET 13 Cb -0.08 0.45 0.10 0.00 2.01 0.00 0.00 34.83 37.30 1x3h s MET 13 CO 0.02 -0.28 1.85 0.27 -0.01 0.00 0.00 175.02 176.86 1x3h h PHE 14 N 3.06 0.73 -3.48 -0.03 -5.15 -2.03 -3.44 116.94 106.61 1x3h h PHE 14 Ca -0.25 0.02 -0.56 0.00 -0.20 0.00 0.00 57.97 56.97 1x3h h PHE 14 Cb 1.15 -0.24 0.18 0.00 0.22 0.00 0.00 35.95 37.25 1x3h h PHE 14 CO 0.36 0.45 -0.13 0.43 -2.00 0.00 0.00 178.31 177.42 1x3h n SER 15 N -4.69 -0.29 -4.75 -0.68 7.64 -1.26 -4.96 113.62 104.63 1x3h n SER 15 Ca 0.04 0.65 -0.30 0.00 1.01 0.00 0.00 58.87 60.27 1x3h n SER 15 Cb 0.03 -1.31 0.11 0.00 -1.01 0.00 0.00 64.21 62.03 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 -2.98 1.84 0.04 1.43 0.04 -1.26 -4.96 135.00 129.14 1x3h s PRO 16 Ca 0.70 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.79 1x3h s PRO 16 Cb -0.36 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1x3h s PRO 16 CO 0.53 -1.89 -0.08 0.15 0.04 0.00 0.00 177.00 175.75 1x3h s LYS 17 N -4.92 0.55 0.25 4.56 1.02 -1.26 -3.23 119.74 116.71 1x3h s LYS 17 Ca 0.62 -0.75 -0.29 0.00 0.02 0.00 0.00 55.97 55.57 1x3h s LYS 17 Cb -0.17 -0.34 -0.15 0.00 -0.52 0.00 0.00 37.83 36.65 1x3h s LYS 17 CO 0.56 0.06 0.94 0.00 -0.92 0.00 0.00 175.35 175.99 1x3h n GLY 19 N 1.53 2.44 2.01 0.00 0.00 -1.01 -2.01 105.19 108.15 1x3h n GLY 19 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 1.47 -0.48 0.00 -0.02 0.00 -1.26 -4.92 105.19 99.98 1x3h n GLY 20 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.58 -5.51 -4.76 0.00 3.02 -0.85 -4.98 115.26 100.59 1x3h n ASN 22 Ca 0.03 -0.32 -0.31 0.00 -0.03 0.00 0.00 54.58 53.96 1x3h n ASN 22 Cb 0.35 -4.27 -0.07 0.00 -0.61 0.00 0.00 39.78 35.19 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 -5.72 2.88 -0.53 3.52 1.81 -1.26 -4.80 118.95 114.85 1x3h s ARG 23 Ca 0.34 -0.67 -0.27 0.00 -1.72 0.00 0.00 55.73 53.41 1x3h s ARG 23 Cb -0.15 -2.73 -0.02 0.00 -0.45 0.00 0.00 34.95 31.60 1x3h s ARG 23 CO 0.42 0.58 1.81 -1.25 -0.68 0.00 0.00 175.30 176.18 1x3h s PRO 24 N -2.25 2.86 -0.01 3.54 0.04 -1.26 -0.86 135.00 137.06 1x3h s PRO 24 Ca 0.28 0.82 -0.25 0.00 0.04 0.00 0.00 61.00 61.89 1x3h s PRO 24 Cb -0.12 -4.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.06 1x3h s PRO 24 CO 0.20 -2.44 0.77 0.14 0.04 0.00 0.00 177.00 175.71 1x3h s VAL 25 N 8.30 4.89 0.00 -0.36 -7.23 -1.20 -4.90 120.40 119.90 1x3h s VAL 25 Ca 0.70 1.63 0.00 0.00 -1.81 0.00 0.00 61.98 62.49 1x3h s VAL 25 Cb -0.15 -4.12 0.00 0.00 0.56 0.00 0.00 36.38 32.67 1x3h s VAL 25 CO 0.25 0.28 0.00 0.18 -0.31 0.00 0.00 175.10 175.50 1x3h n LEU 26 N 3.40 1.00 -4.52 1.32 4.77 -1.26 -4.84 117.00 116.86 1x3h n LEU 26 Ca -0.01 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.66 1x3h n LEU 26 Cb 0.51 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1x3h n LEU 26 CO 0.48 0.16 -0.44 -1.83 -1.33 0.00 0.00 177.39 174.42 1x3h s GLU 27 N -1.36 2.32 -1.34 3.23 4.04 -1.26 -4.69 118.70 119.64 1x3h s GLU 27 Ca 0.00 -0.84 -0.10 0.00 0.04 0.00 0.00 54.97 54.06 1x3h s GLU 27 Cb 0.00 -2.34 0.00 0.00 0.02 0.00 0.00 34.13 31.81 1x3h s GLU 27 CO 0.00 0.57 0.48 -1.71 -1.84 0.00 0.00 175.26 172.77 1x3h n ASN 28 N 1.61 -1.87 -4.55 0.83 4.05 -1.26 -4.96 115.26 109.10 1x3h n ASN 28 Ca -0.16 -1.10 -0.27 0.00 0.45 0.00 0.00 54.58 53.51 1x3h n ASN 28 Cb 0.52 -2.70 -0.10 0.00 1.23 0.00 0.00 39.78 38.74 1x3h n ASN 28 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1x3h s TYR 29 N -3.84 2.58 0.39 1.20 1.13 -1.26 -4.13 117.35 113.41 1x3h s TYR 29 Ca 0.19 -0.24 0.08 0.00 -1.41 0.00 0.00 57.07 55.68 1x3h s TYR 29 Cb -0.08 -1.25 -0.02 0.00 -1.10 0.00 0.00 41.96 39.50 1x3h s TYR 29 CO 0.91 0.52 0.36 -0.51 -2.51 0.00 0.00 175.55 174.32 1x3h s LEU 30 N -2.86 3.47 -0.33 -3.49 1.02 -0.90 -4.94 118.68 110.65 1x3h s LEU 30 Ca 0.25 -0.66 -0.01 0.00 0.02 0.00 0.00 54.13 53.73 1x3h s LEU 30 Cb -0.08 -2.13 0.11 0.00 0.02 0.00 0.00 46.19 44.11 1x3h s LEU 30 CO 0.15 -0.56 0.13 -0.44 0.02 0.00 0.00 176.35 175.64 1x3h s SER 31 N -4.10 3.83 0.13 2.29 0.01 -1.26 -1.69 113.70 112.92 1x3h s SER 31 Ca 0.46 -1.79 0.05 0.00 1.31 0.00 0.00 55.95 55.98 1x3h s SER 31 Cb -0.04 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.35 1x3h s SER 31 CO 0.28 -0.39 -0.11 0.00 0.41 0.00 0.00 173.24 173.43 1x3h s ALA 32 N 1.44 1.42 -1.43 1.44 0.00 0.21 -4.84 121.76 120.01 1x3h s ALA 32 Ca 0.12 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 1x3h s ALA 32 Cb -0.19 0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1x3h s ALA 32 CO -0.21 -0.03 0.34 -1.33 0.00 0.00 0.00 175.76 174.53 1x3h n MET 33 N 0.10 -2.81 -1.90 0.00 2.81 -1.26 0.95 117.12 115.01 1x3h n MET 33 Ca -0.12 0.34 -0.12 0.00 -1.81 0.00 0.00 57.70 56.00 1x3h n MET 33 Cb 0.59 -4.33 -0.03 0.00 -0.71 0.00 0.00 33.22 28.74 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 -2.96 -3.40 -2.45 7.83 8.00 -1.26 -4.87 116.55 117.43 1x3h n ASP 34 Ca -0.31 0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.32 1x3h n ASP 34 Cb 0.69 -3.06 -0.04 0.00 -0.02 0.00 0.00 41.12 38.69 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 -2.57 0.00 -4.09 -3.53 5.66 0.27 -5.18 114.28 104.84 1x3h n THR 35 Ca -0.13 -1.45 -0.23 0.00 -3.05 0.00 0.00 64.05 59.19 1x3h n THR 35 Cb 0.50 0.79 -0.06 0.00 -1.55 0.00 0.00 70.33 70.01 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 -2.81 3.43 0.37 1.08 -7.23 -1.26 0.67 120.40 114.64 1x3h s VAL 36 Ca 0.24 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1x3h s VAL 36 Cb 0.00 -3.05 0.01 0.00 0.56 0.00 0.00 36.38 33.90 1x3h s VAL 36 CO 0.17 -0.25 0.54 0.26 -0.31 0.00 0.00 175.10 175.51 1x3h s TRP 37 N -2.34 1.00 -0.04 2.82 0.52 -0.68 -2.40 118.94 117.81 1x3h s TRP 37 Ca 0.36 -1.28 0.01 0.00 0.02 0.00 0.00 56.10 55.21 1x3h s TRP 37 Cb -0.05 0.05 -0.03 0.00 -1.15 0.00 0.00 33.47 32.29 1x3h s TRP 37 CO 0.23 -1.24 -0.03 -1.01 0.02 0.00 0.00 176.95 174.92 1x3h s HIS 38 N -2.78 3.03 -1.92 -1.98 3.76 -1.26 -2.11 115.29 112.03 1x3h s HIS 38 Ca 0.29 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.27 1x3h s HIS 38 Cb -0.01 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 31.97 1x3h s HIS 38 CO 0.20 0.41 0.47 -0.35 -0.85 0.00 0.00 174.74 174.63 1x3h n PRO 39 N 1.86 0.49 0.00 8.40 -0.04 -1.26 -1.28 135.00 143.17 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 0.39 -0.04 0.00 0.00 175.50 175.85 1x3h n GLU 40 N -0.44 1.82 -0.03 0.54 -0.58 -1.26 -4.85 120.64 115.85 1x3h n GLU 40 Ca 0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 1x3h n GLU 40 Cb 0.01 -0.81 -0.13 0.00 -0.57 0.00 0.00 31.44 29.94 1x3h n GLU 40 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x3h n PHE 42 N -4.06 0.81 -3.99 0.00 7.35 -0.41 -4.82 117.46 112.35 1x3h n PHE 42 Ca -0.27 0.18 -0.11 0.00 -0.76 0.00 0.00 57.45 56.49 1x3h n PHE 42 Cb 0.83 -2.17 -0.04 0.00 0.35 0.00 0.00 39.48 38.45 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 9.25 0.00 1.08 -2.13 -7.23 -1.26 -4.18 120.40 115.93 1x3h s VAL 43 Ca 1.18 -1.39 -0.14 0.00 -1.81 0.00 0.00 61.98 59.82 1x3h s VAL 43 Cb -0.70 -2.41 0.18 0.00 0.56 0.00 0.00 36.38 34.01 1x3h s VAL 43 CO 0.38 0.00 0.72 0.00 -0.31 0.00 0.00 175.10 175.89 1x3h n GLY 45 N 1.17 -1.08 0.07 0.00 0.00 -0.99 -3.41 105.19 100.95 1x3h n GLY 45 Ca 0.05 -0.40 -0.06 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 -2.49 1.28 0.09 1.61 8.00 -1.26 -4.62 116.55 119.16 1x3h n ASP 46 Ca -0.10 0.22 0.13 0.00 0.71 0.00 0.00 54.79 55.74 1x3h n ASP 46 Cb 0.73 -0.65 0.30 0.00 -0.02 0.00 0.00 41.12 41.47 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 -2.23 -1.88 -3.76 0.00 3.72 -1.22 -4.92 117.46 107.17 1x3h n PHE 48 Ca 0.05 0.73 -0.34 0.00 -0.05 0.00 0.00 57.45 57.84 1x3h n PHE 48 Cb 0.44 -4.00 -0.05 0.00 -0.94 0.00 0.00 39.48 34.92 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 -3.67 5.28 0.50 4.37 -1.32 -1.26 -4.59 115.64 114.95 1x3h s THR 49 Ca 0.14 0.10 -0.21 0.00 -1.21 0.00 0.00 61.69 60.51 1x3h s THR 49 Cb -0.04 -3.58 -0.07 0.00 -1.51 0.00 0.00 72.50 67.29 1x3h s THR 49 CO 0.84 0.29 1.10 -0.55 -2.21 0.00 0.00 174.62 174.08 1x3h s SER 50 N -1.90 6.09 -0.82 8.08 0.15 -1.26 -2.00 113.70 122.04 1x3h s SER 50 Ca 0.31 2.09 -0.02 0.00 0.70 0.00 0.00 55.95 59.03 1x3h s SER 50 Cb -0.13 -2.58 0.20 0.00 -1.71 0.00 0.00 66.02 61.81 1x3h s SER 50 CO 0.19 -0.96 0.68 -0.36 1.20 0.00 0.00 173.24 173.99 1x3h s PHE 51 N -1.80 3.75 0.05 3.44 0.08 -1.26 -4.78 117.98 117.45 1x3h s PHE 51 Ca 0.68 -2.96 0.00 0.00 0.12 0.00 0.00 56.93 54.77 1x3h s PHE 51 Cb -0.22 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 1x3h s PHE 51 CO 0.25 -0.75 0.00 0.45 -0.10 0.00 0.00 175.22 175.07 1x3h n SER 52 N 2.61 0.45 -0.30 1.36 2.88 -1.26 -4.77 113.62 114.60 1x3h n SER 52 Ca 0.18 0.06 0.13 0.00 -1.33 0.00 0.00 58.87 57.91 1x3h n SER 52 Cb 0.37 -0.13 0.29 0.00 -0.75 0.00 0.00 64.21 63.99 1x3h n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x3h h THR 53 N 0.00 0.34 -0.45 2.46 1.03 -2.04 -3.44 112.91 110.80 1x3h h THR 53 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.32 1x3h h THR 53 Cb 0.56 0.09 0.00 0.00 -1.07 0.00 0.00 68.15 67.73 1x3h h THR 53 CO 0.00 0.04 0.00 0.61 -0.01 0.00 0.00 175.52 176.16 1x3h n GLY 54 N -1.37 5.42 3.99 2.99 0.00 -1.26 -5.17 105.19 109.79 1x3h n GLY 54 Ca 0.21 -1.30 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 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 1.00 4.41 0.18 1.61 0.01 -1.26 -4.91 113.70 114.74 1x3h s SER 55 Ca 0.00 -0.39 0.11 0.00 1.31 0.00 0.00 55.95 56.97 1x3h s SER 55 Cb 0.00 -0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.18 1x3h s SER 55 CO 0.00 -1.82 -0.22 0.72 0.41 0.00 0.00 173.24 172.33 1x3h s PHE 56 N -3.10 2.37 -0.20 2.43 -0.12 -1.26 -4.92 117.98 113.18 1x3h s PHE 56 Ca 0.66 -0.33 -0.02 0.00 -0.05 0.00 0.00 56.93 57.19 1x3h s PHE 56 Cb -0.05 -1.19 0.00 0.00 -0.63 0.00 0.00 43.02 41.15 1x3h s PHE 56 CO 0.44 0.48 -0.11 -0.06 -0.05 0.00 0.00 175.22 175.92 1x3h s PHE 57 N -1.57 2.88 -0.36 3.49 0.08 -1.22 -5.03 117.98 116.25 1x3h s PHE 57 Ca 0.20 -1.21 -0.29 0.00 0.12 0.00 0.00 56.93 55.76 1x3h s PHE 57 Cb -0.08 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.36 1x3h s PHE 57 CO 0.10 -0.64 1.07 -2.00 -0.10 0.00 0.00 175.22 173.65 1x3h s GLU 58 N 1.38 3.97 -0.11 0.44 2.12 -1.26 -2.54 118.70 122.70 1x3h s GLU 58 Ca 0.05 0.91 0.03 0.00 0.36 0.00 0.00 54.97 56.32 1x3h s GLU 58 Cb -0.14 -3.78 0.01 0.00 0.26 0.00 0.00 34.13 30.48 1x3h s GLU 58 CO -0.07 -1.00 -0.20 -1.17 -0.54 0.00 0.00 175.26 172.28 1x3h s LEU 59 N 3.79 1.95 -1.69 2.70 1.98 -0.17 -4.68 118.68 122.56 1x3h s LEU 59 Ca 0.45 -0.51 -0.02 0.00 -2.89 0.00 0.00 54.13 51.17 1x3h s LEU 59 Cb -0.11 -1.27 0.00 0.00 0.66 0.00 0.00 46.19 45.47 1x3h s LEU 59 CO 0.19 0.09 0.21 -0.67 -1.89 0.00 0.00 176.35 174.27 1x3h n ASP 60 N 3.87 -5.93 -1.35 3.68 -0.08 -1.26 -1.41 116.55 114.06 1x3h n ASP 60 Ca -0.20 -0.11 -0.12 0.00 -1.51 0.00 0.00 54.79 52.86 1x3h n ASP 60 Cb 0.52 -4.89 -0.01 0.00 2.34 0.00 0.00 41.12 39.08 1x3h n ASP 60 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x3h n GLY 61 N -1.18 -0.11 3.12 0.27 0.00 -1.26 -5.01 105.19 101.01 1x3h n GLY 61 Ca -0.20 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.58 0.41 -0.16 1.61 0.52 -0.50 -5.13 118.95 111.12 1x3h s ARG 62 Ca 0.00 -0.07 -0.29 0.00 -0.52 0.00 0.00 55.73 54.84 1x3h s ARG 62 Cb 0.00 0.18 -0.03 0.00 0.52 0.00 0.00 34.95 35.61 1x3h s ARG 62 CO 0.00 -0.09 1.57 -1.25 0.02 0.00 0.00 175.30 175.55 1x3h s PRO 63 N -0.73 4.00 0.42 3.54 0.04 -1.26 -1.00 135.00 140.01 1x3h s PRO 63 Ca -0.08 1.84 0.04 0.00 0.04 0.00 0.00 61.00 62.84 1x3h s PRO 63 Cb -0.05 -3.97 -0.02 0.00 0.04 0.00 0.00 34.50 30.50 1x3h s PRO 63 CO 0.01 -1.04 0.15 -0.06 0.04 0.00 0.00 177.00 176.10 1x3h s PHE 64 N 4.51 1.78 -0.08 0.56 0.08 -1.05 -2.34 117.98 121.44 1x3h s PHE 64 Ca 0.69 -1.36 0.01 0.00 0.12 0.00 0.00 56.93 56.40 1x3h s PHE 64 Cb -0.27 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 1x3h s PHE 64 CO 0.27 -0.38 -0.11 0.00 -0.10 0.00 0.00 175.22 174.90 1x3h n GLU 66 N 2.60 -0.16 -0.05 0.00 2.13 -1.26 0.27 120.64 124.17 1x3h n GLU 66 Ca -0.18 0.62 -0.01 0.00 0.66 0.00 0.00 57.16 58.26 1x3h n GLU 66 Cb 0.53 -0.92 -0.01 0.00 0.27 0.00 0.00 31.44 31.30 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 -4.25 -0.12 0.15 4.31 7.94 -1.26 -1.16 117.00 122.61 1x3h n LEU 67 Ca 0.01 0.93 -0.14 0.00 -1.11 0.00 0.00 56.01 55.70 1x3h n LEU 67 Cb 0.10 -0.39 -0.08 0.00 0.53 0.00 0.00 43.42 43.58 1x3h n LEU 67 CO -0.06 -0.53 0.71 0.45 -1.11 0.00 0.00 177.39 176.85 1x3h h HIS 68 N 0.00 -0.31 -0.61 1.96 3.86 -1.06 -3.12 115.15 115.88 1x3h h HIS 68 Ca 0.02 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.32 1x3h h HIS 68 Cb 0.05 0.10 -0.10 0.00 1.06 0.00 0.00 27.41 28.52 1x3h h HIS 68 CO -0.80 -0.09 -0.23 0.98 0.86 0.00 0.00 177.93 178.65 1x3h n TYR 69 N -5.17 0.04 -0.13 2.45 4.19 0.14 0.23 117.16 118.91 1x3h n TYR 69 Ca -0.09 0.75 -0.08 0.00 3.31 0.00 0.00 57.90 61.78 1x3h n TYR 69 Cb 0.20 -0.74 0.01 0.00 0.49 0.00 0.00 39.34 39.30 1x3h n TYR 69 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1x3h h HIS 70 N 0.00 0.50 -0.95 2.98 3.86 -1.08 -1.37 115.15 119.09 1x3h h HIS 70 Ca 0.22 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.50 1x3h h HIS 70 Cb 0.37 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.61 1x3h h HIS 70 CO -0.52 0.31 0.62 1.25 0.86 0.00 0.00 177.93 180.44 1x3h h HIS 71 N 0.54 1.12 -0.37 2.45 2.76 0.28 -2.17 115.15 119.76 1x3h h HIS 71 Ca 0.15 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.27 1x3h h HIS 71 Cb -0.05 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.53 1x3h h HIS 71 CO -0.05 0.59 -0.11 0.00 -1.30 0.00 0.00 177.93 177.06 1x3h h ARG 72 N 1.10 0.73 -0.88 5.26 3.08 -0.30 -2.99 114.38 120.39 1x3h h ARG 72 Ca 0.40 -0.29 0.23 0.00 0.07 0.00 0.00 59.98 60.40 1x3h h ARG 72 Cb 0.17 -0.04 -0.14 0.00 0.08 0.00 0.00 29.97 30.04 1x3h h ARG 72 CO -0.15 0.89 0.29 0.00 -1.07 0.00 0.00 179.97 179.93 1x3h h ARG 73 N 0.53 0.26 -2.47 0.04 3.08 -0.59 -3.30 114.38 111.92 1x3h h ARG 73 Ca 0.09 -0.02 -0.55 0.00 0.07 0.00 0.00 59.98 59.58 1x3h h ARG 73 Cb 0.63 -0.06 -0.38 0.00 0.08 0.00 0.00 29.97 30.24 1x3h h ARG 73 CO 0.04 0.17 -0.84 0.20 -1.07 0.00 0.00 179.97 178.48 1x3h s GLY 74 N -3.90 0.74 0.30 0.04 0.00 -1.16 -5.13 107.32 98.22 1x3h s GLY 74 Ca -0.12 -1.77 -0.28 0.00 0.00 0.00 0.00 44.72 42.55 1x3h s GLY 74 CO 0.77 2.19 1.02 -0.45 0.00 0.00 0.00 173.10 176.64 1x3h s SER 75 N 1.05 7.27 0.00 1.64 0.15 -1.14 -4.85 113.70 117.83 1x3h s SER 75 Ca 0.19 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.90 1x3h s SER 75 Cb -0.20 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 1x3h s SER 75 CO -0.01 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1x3h n GLY 76 N 0.98 5.56 3.66 9.45 0.00 -1.26 -5.11 105.19 118.46 1x3h n GLY 76 Ca 0.00 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 3.28 4.19 0.07 1.61 0.04 -1.26 -5.01 135.00 137.92 1x3h s PRO 77 Ca 0.00 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.06 1x3h s PRO 77 Cb 0.00 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 1x3h s PRO 77 CO 0.00 -0.81 -0.06 0.45 0.04 0.00 0.00 177.00 176.62 1x3h s SER 78 N 2.91 0.88 -0.62 6.66 0.15 -1.26 -5.05 113.70 117.36 1x3h s SER 78 Ca 0.67 -0.85 -0.02 0.00 0.70 0.00 0.00 55.95 56.45 1x3h s SER 78 Cb -0.29 0.10 0.37 0.00 -1.71 0.00 0.00 66.02 64.49 1x3h s SER 78 CO 0.25 -0.41 2.08 -1.54 1.20 0.00 0.00 173.24 174.81 1x3h n SER 79 N 0.50 7.40 -0.06 5.45 3.41 -1.26 -5.33 113.62 123.72 1x3h n SER 79 Ca -0.16 -3.64 0.16 0.00 -0.26 0.00 0.00 58.87 54.97 1x3h n SER 79 Cb 0.59 -1.02 0.90 0.00 -0.26 0.00 0.00 64.21 64.41 1x3h n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49