#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 -0.41 -0.23 1.61 1.04 -1.26 -5.15 113.70 109.29 1x3h s SER 2 Ca 0.00 0.23 -0.08 0.00 0.48 0.00 0.00 55.95 56.59 1x3h s SER 2 Cb 0.00 1.34 0.11 0.00 0.10 0.00 0.00 66.02 67.56 1x3h s SER 2 CO 0.00 -0.08 0.50 -0.94 0.98 0.00 0.00 173.24 173.70 1x3h s SER 3 N 2.96 -0.55 -0.04 7.02 1.04 -1.26 -5.16 113.70 117.71 1x3h s SER 3 Ca 0.01 1.15 -0.02 0.00 0.48 0.00 0.00 55.95 57.57 1x3h s SER 3 Cb -0.09 1.67 0.02 0.00 0.10 0.00 0.00 66.02 67.72 1x3h s SER 3 CO -0.12 -0.23 0.09 -0.83 0.98 0.00 0.00 173.24 173.14 1x3h s GLY 4 N 2.71 -0.01 -0.15 7.32 0.00 -1.26 -5.14 107.32 110.79 1x3h s GLY 4 Ca -0.02 0.42 -0.05 0.00 0.00 0.00 0.00 44.72 45.07 1x3h s GLY 4 CO -0.15 0.61 0.29 -0.56 0.00 0.00 0.00 173.10 173.30 1x3h s SER 5 N 0.71 0.27 -0.28 1.64 0.01 -1.26 -5.14 113.70 109.64 1x3h s SER 5 Ca -0.05 0.64 -0.23 0.00 1.31 0.00 0.00 55.95 57.61 1x3h s SER 5 Cb -0.08 0.83 0.10 0.00 0.21 0.00 0.00 66.02 67.08 1x3h s SER 5 CO -0.03 -0.24 0.87 -0.94 0.41 0.00 0.00 173.24 173.31 1x3h s SER 6 N 2.46 -0.63 0.00 2.44 1.04 -1.26 -5.11 113.70 112.64 1x3h s SER 6 Ca 0.01 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1x3h s SER 6 Cb -0.12 1.19 0.00 0.00 0.10 0.00 0.00 66.02 67.19 1x3h s SER 6 CO -0.10 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1x3h n GLY 7 N 2.82 1.79 2.91 7.32 0.00 -1.26 -5.16 105.19 113.61 1x3h n GLY 7 Ca -0.15 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.19 0.08 -0.28 1.61 -2.85 -1.26 -5.04 119.74 111.81 1x3h s LYS 8 Ca 0.00 0.39 0.16 0.00 -1.00 0.00 0.00 55.97 55.52 1x3h s LYS 8 Cb 0.00 -0.19 0.49 0.00 -2.06 0.00 0.00 37.83 36.06 1x3h s LYS 8 CO 0.00 -0.18 1.13 -0.25 0.10 0.00 0.00 175.35 176.15 1x3h n ASP 9 N 4.32 2.84 -0.32 0.03 8.00 -1.26 -4.94 116.55 125.23 1x3h n ASP 9 Ca -0.24 -2.73 -0.11 0.00 0.71 0.00 0.00 54.79 52.41 1x3h n ASP 9 Cb 0.51 -0.43 -0.10 0.00 -0.02 0.00 0.00 41.12 41.08 1x3h n ASP 9 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1x3h h PHE 10 N 2.49 -1.76 -3.97 1.24 -1.00 -2.07 -3.40 116.94 108.47 1x3h h PHE 10 Ca 0.06 0.11 -0.69 0.00 2.81 0.00 0.00 57.97 60.26 1x3h h PHE 10 Cb 1.34 0.87 -0.22 0.00 3.61 0.00 0.00 35.95 41.55 1x3h h PHE 10 CO 0.63 -0.39 -0.79 -0.48 -1.61 0.00 0.00 178.31 175.68 1x3h s LEU 11 N -10.25 2.68 0.15 1.54 2.34 -1.26 -5.03 118.68 108.84 1x3h s LEU 11 Ca -0.12 -0.34 0.00 0.00 0.06 0.00 0.00 54.13 53.73 1x3h s LEU 11 Cb 0.10 -1.56 0.00 0.00 -0.56 0.00 0.00 46.19 44.17 1x3h s LEU 11 CO 0.59 0.28 0.00 0.00 -1.06 0.00 0.00 176.35 176.16 1x3h n ALA 12 N 1.77 3.00 -2.68 1.48 0.00 -1.26 -5.04 120.51 117.78 1x3h n ALA 12 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1x3h n ALA 12 Cb 0.52 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.97 4.33 -0.05 0.00 -1.94 -1.26 -4.91 119.30 113.50 1x3h s MET 13 Ca 0.00 0.98 0.01 0.00 -1.71 0.00 0.00 55.69 54.97 1x3h s MET 13 Cb 0.00 -3.54 -0.04 0.00 2.01 0.00 0.00 34.83 33.26 1x3h s MET 13 CO 0.00 -0.23 -0.04 1.97 -0.01 0.00 0.00 175.02 176.71 1x3h n PHE 14 N 4.85 0.00 -3.61 -0.03 -1.74 -1.26 -5.09 117.46 110.58 1x3h n PHE 14 Ca 0.03 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.78 1x3h n PHE 14 Cb 0.49 -0.21 -0.06 0.00 1.52 0.00 0.00 39.48 41.23 1x3h n PHE 14 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 1x3h s SER 15 N -4.46 -0.38 0.89 5.98 0.01 -1.26 -5.17 113.70 109.31 1x3h s SER 15 Ca -0.07 0.12 -0.11 0.00 1.31 0.00 0.00 55.95 57.19 1x3h s SER 15 Cb 0.02 0.47 0.13 0.00 0.21 0.00 0.00 66.02 66.84 1x3h s SER 15 CO 0.13 -0.70 1.09 -2.16 0.41 0.00 0.00 173.24 172.02 1x3h s PRO 16 N -2.43 1.30 0.17 12.44 0.04 -1.26 -4.96 135.00 140.30 1x3h s PRO 16 Ca -0.05 0.84 0.03 0.00 0.04 0.00 0.00 61.00 61.86 1x3h s PRO 16 Cb -0.01 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 1x3h s PRO 16 CO -0.02 -2.22 -0.06 0.15 0.04 0.00 0.00 177.00 174.90 1x3h s LYS 17 N -4.93 1.11 0.42 4.56 1.02 -1.26 -3.13 119.74 117.53 1x3h s LYS 17 Ca 0.63 -1.51 -0.26 0.00 0.02 0.00 0.00 55.97 54.86 1x3h s LYS 17 Cb -0.18 -0.51 -0.09 0.00 -0.52 0.00 0.00 37.83 36.54 1x3h s LYS 17 CO 0.57 -0.01 1.40 0.00 -0.92 0.00 0.00 175.35 176.39 1x3h n GLY 19 N 0.59 2.87 2.00 0.00 0.00 -0.95 -2.17 105.19 107.54 1x3h n GLY 19 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.35 -0.48 0.07 -0.02 0.00 -1.26 -4.92 105.19 99.93 1x3h n GLY 20 Ca 0.10 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.21 -5.56 -4.61 0.00 3.02 -0.92 -4.98 115.26 101.00 1x3h n ASN 22 Ca 0.04 -0.51 -0.28 0.00 -0.03 0.00 0.00 54.58 53.80 1x3h n ASN 22 Cb 0.31 -4.70 -0.09 0.00 -0.61 0.00 0.00 39.78 34.69 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 -6.10 2.22 -0.35 3.52 1.81 -1.26 -4.80 118.95 113.99 1x3h s ARG 23 Ca 0.48 -1.08 -0.28 0.00 -1.72 0.00 0.00 55.73 53.12 1x3h s ARG 23 Cb -0.21 -2.31 -0.01 0.00 -0.45 0.00 0.00 34.95 31.97 1x3h s ARG 23 CO 0.67 0.48 1.71 -1.25 -0.68 0.00 0.00 175.30 176.23 1x3h s PRO 24 N -2.55 3.38 -0.20 3.54 0.04 -1.26 -0.28 135.00 137.67 1x3h s PRO 24 Ca 0.24 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 62.41 1x3h s PRO 24 Cb -0.10 -4.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 1x3h s PRO 24 CO 0.16 -1.80 0.43 0.14 0.04 0.00 0.00 177.00 175.97 1x3h s VAL 25 N 6.56 5.17 0.05 -0.36 -7.23 -1.18 -4.91 120.40 118.49 1x3h s VAL 25 Ca 0.75 0.76 0.00 0.00 -1.81 0.00 0.00 61.98 61.68 1x3h s VAL 25 Cb -0.20 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 32.98 1x3h s VAL 25 CO 0.33 0.23 0.00 0.18 -0.31 0.00 0.00 175.10 175.53 1x3h n LEU 26 N 4.59 0.23 -4.72 1.32 4.77 -1.26 -4.83 117.00 117.10 1x3h n LEU 26 Ca -0.07 0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 1x3h n LEU 26 Cb 0.51 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1x3h n LEU 26 CO 0.40 -0.33 -0.25 -1.83 -1.33 0.00 0.00 177.39 174.05 1x3h s GLU 27 N -2.00 3.50 -1.16 3.23 -1.05 -1.26 -4.55 118.70 115.42 1x3h s GLU 27 Ca 0.00 -0.30 -0.05 0.00 -0.15 0.00 0.00 54.97 54.47 1x3h s GLU 27 Cb 0.00 -3.07 -0.03 0.00 -0.44 0.00 0.00 34.13 30.59 1x3h s GLU 27 CO 0.00 0.56 0.89 0.09 0.95 0.00 0.00 175.26 177.75 1x3h n ASN 28 N 2.64 -3.99 -4.46 0.83 3.02 -1.26 -5.01 115.26 107.02 1x3h n ASN 28 Ca -0.18 -0.73 -0.28 0.00 -0.03 0.00 0.00 54.58 53.35 1x3h n ASN 28 Cb 0.53 -4.78 -0.11 0.00 -0.61 0.00 0.00 39.78 34.81 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 -3.44 2.44 0.41 3.10 1.13 -1.26 -4.11 117.35 115.62 1x3h s TYR 29 Ca 0.23 -0.31 0.08 0.00 -1.41 0.00 0.00 57.07 55.65 1x3h s TYR 29 Cb -0.04 -1.25 -0.02 0.00 -1.10 0.00 0.00 41.96 39.55 1x3h s TYR 29 CO 0.76 0.43 0.39 -0.51 -2.51 0.00 0.00 175.55 174.11 1x3h s LEU 30 N -2.40 3.43 -0.32 -3.49 1.02 -0.92 -4.94 118.68 111.06 1x3h s LEU 30 Ca 0.19 -0.70 -0.01 0.00 0.02 0.00 0.00 54.13 53.63 1x3h s LEU 30 Cb -0.09 -2.12 0.11 0.00 0.02 0.00 0.00 46.19 44.11 1x3h s LEU 30 CO 0.10 -0.64 0.14 -0.44 0.02 0.00 0.00 176.35 175.52 1x3h s SER 31 N -4.14 3.71 0.15 2.29 0.01 -1.26 -1.67 113.70 112.80 1x3h s SER 31 Ca 0.48 -1.72 0.05 0.00 1.31 0.00 0.00 55.95 56.07 1x3h s SER 31 Cb -0.04 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.47 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 1.54 1.51 -1.64 1.44 0.00 0.17 -4.81 121.76 119.98 1x3h s ALA 32 Ca 0.12 -1.48 -0.15 0.00 0.00 0.00 0.00 51.96 50.45 1x3h s ALA 32 Cb -0.18 0.01 0.12 0.00 0.00 0.00 0.00 23.12 23.08 1x3h s ALA 32 CO -0.22 -0.05 0.75 -1.33 0.00 0.00 0.00 175.76 174.91 1x3h n MET 33 N -0.10 -3.48 -2.22 0.00 2.81 -1.26 0.96 117.12 113.82 1x3h n MET 33 Ca -0.11 0.40 -0.18 0.00 -1.81 0.00 0.00 57.70 56.00 1x3h n MET 33 Cb 0.60 -5.05 -0.02 0.00 -0.71 0.00 0.00 33.22 28.03 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 -2.73 -5.20 -3.22 7.83 8.00 -1.26 -4.93 116.55 115.04 1x3h n ASP 34 Ca 0.01 0.13 -0.16 0.00 0.71 0.00 0.00 54.79 55.49 1x3h n ASP 34 Cb 0.53 -4.41 -0.05 0.00 -0.02 0.00 0.00 41.12 37.17 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 -2.83 0.00 0.13 -3.53 -1.32 0.27 -5.17 115.64 103.19 1x3h s THR 35 Ca 0.00 -1.67 0.04 0.00 -1.21 0.00 0.00 61.69 58.85 1x3h s THR 35 Cb 0.00 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 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 -3.07 4.61 0.34 5.08 -7.23 -1.26 0.45 120.40 119.31 1x3h s VAL 36 Ca 0.33 -0.93 0.06 0.00 -1.81 0.00 0.00 61.98 59.63 1x3h s VAL 36 Cb 0.00 -3.31 -0.02 0.00 0.56 0.00 0.00 36.38 33.60 1x3h s VAL 36 CO 0.22 -0.03 0.32 0.26 -0.31 0.00 0.00 175.10 175.57 1x3h s TRP 37 N -1.63 1.67 -0.03 2.82 0.52 -0.67 -2.23 118.94 119.39 1x3h s TRP 37 Ca 0.31 -1.62 0.01 0.00 0.02 0.00 0.00 56.10 54.82 1x3h s TRP 37 Cb -0.11 -0.61 -0.03 0.00 -1.15 0.00 0.00 33.47 31.57 1x3h s TRP 37 CO 0.24 -0.93 -0.01 -1.01 0.02 0.00 0.00 176.95 175.25 1x3h s HIS 38 N -3.33 3.07 -2.00 -1.98 3.76 -1.26 -2.16 115.29 111.40 1x3h s HIS 38 Ca 0.39 0.10 0.04 0.00 -0.15 0.00 0.00 55.06 55.44 1x3h s HIS 38 Cb 0.02 -1.70 0.26 0.00 1.11 0.00 0.00 32.58 32.26 1x3h s HIS 38 CO 0.27 0.45 0.73 -0.35 -0.85 0.00 0.00 174.74 174.98 1x3h n PRO 39 N 1.68 0.49 0.00 8.40 -0.04 -1.26 -1.46 135.00 142.81 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 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.64 2.61 -0.10 0.54 0.28 -1.26 -4.85 120.64 117.23 1x3h n GLU 40 Ca 0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.85 1x3h n GLU 40 Cb 0.01 -0.86 -0.10 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 -4.48 0.40 -3.98 0.00 7.35 -0.53 -4.77 117.46 111.45 1x3h n PHE 42 Ca -0.27 0.07 -0.11 0.00 -0.76 0.00 0.00 57.45 56.38 1x3h n PHE 42 Cb 0.60 -1.36 -0.03 0.00 0.35 0.00 0.00 39.48 39.05 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 5.12 0.00 1.04 -2.13 -7.23 -1.26 -4.73 120.40 111.21 1x3h s VAL 43 Ca 1.23 -1.36 -0.12 0.00 -1.81 0.00 0.00 61.98 59.93 1x3h s VAL 43 Cb -0.75 -2.56 0.21 0.00 0.56 0.00 0.00 36.38 33.85 1x3h s VAL 43 CO 0.45 0.00 1.07 0.00 -0.31 0.00 0.00 175.10 176.31 1x3h n GLY 45 N 0.21 -1.09 0.19 0.00 0.00 -1.25 -3.30 105.19 99.94 1x3h n GLY 45 Ca 0.06 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.23 1.53 0.09 1.61 9.92 -1.26 -4.65 116.55 121.56 1x3h n ASP 46 Ca -0.02 0.26 0.12 0.00 -0.53 0.00 0.00 54.79 54.62 1x3h n ASP 46 Cb 0.53 -0.65 0.22 0.00 -0.64 0.00 0.00 41.12 40.58 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 -2.28 -2.15 -3.17 0.00 3.72 -1.21 -4.92 117.46 107.44 1x3h n PHE 48 Ca 0.04 0.88 -0.30 0.00 -0.05 0.00 0.00 57.45 58.02 1x3h n PHE 48 Cb 0.45 -4.29 -0.04 0.00 -0.94 0.00 0.00 39.48 34.67 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 4.92 -2.00 4.37 -1.32 -1.26 -4.57 115.64 112.29 1x3h s THR 49 Ca 0.32 0.33 0.02 0.00 -1.21 0.00 0.00 61.69 61.15 1x3h s THR 49 Cb -0.16 -3.72 0.06 0.00 -1.51 0.00 0.00 72.50 67.18 1x3h s THR 49 CO 0.81 -0.36 1.05 -0.24 -2.21 0.00 0.00 174.62 173.68 1x3h n SER 50 N -0.95 0.29 -3.77 8.08 2.88 -1.26 -1.93 113.62 116.95 1x3h n SER 50 Ca 0.00 -1.99 -0.25 0.00 -1.33 0.00 0.00 58.87 55.30 1x3h n SER 50 Cb 0.54 -0.04 0.04 0.00 -0.75 0.00 0.00 64.21 64.00 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 -0.35 -2.24 -1.01 0.66 3.72 -1.26 -4.83 117.46 112.16 1x3h n PHE 51 Ca 0.02 0.90 -0.12 0.00 -0.05 0.00 0.00 57.45 58.20 1x3h n PHE 51 Cb 0.05 -4.34 -0.17 0.00 -0.94 0.00 0.00 39.48 34.08 1x3h n PHE 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1x3h n SER 52 N -2.96 5.27 0.06 4.37 7.64 -1.26 -3.82 113.62 122.92 1x3h n SER 52 Ca -0.10 -2.50 0.00 0.00 1.01 0.00 0.00 58.87 57.28 1x3h n SER 52 Cb 0.59 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1x3h n SER 52 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1x3h n THR 53 N 2.45 0.44 0.00 0.44 -2.24 -1.26 -5.12 114.28 108.99 1x3h n THR 53 Ca 0.43 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.35 1x3h n THR 53 Cb 0.91 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1x3h n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x3h n GLY 54 N 2.52 -0.92 2.99 3.38 0.00 -1.25 -5.16 105.19 106.75 1x3h n GLY 54 Ca 0.00 0.42 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 1.82 0.66 0.84 1.61 0.15 -1.26 -5.12 113.70 112.40 1x3h s SER 55 Ca 0.00 -0.28 -0.12 0.00 0.70 0.00 0.00 55.95 56.25 1x3h s SER 55 Cb 0.00 -0.02 0.10 0.00 -1.71 0.00 0.00 66.02 64.39 1x3h s SER 55 CO 0.00 -0.05 1.17 0.72 1.20 0.00 0.00 173.24 176.28 1x3h s PHE 56 N -0.64 2.82 -0.06 3.44 -0.71 -1.26 -4.69 117.98 116.88 1x3h s PHE 56 Ca -0.03 0.77 0.01 0.00 -1.04 0.00 0.00 56.93 56.64 1x3h s PHE 56 Cb -0.05 -3.48 0.02 0.00 -1.21 0.00 0.00 43.02 38.30 1x3h s PHE 56 CO 0.00 -1.94 -0.08 -0.06 -1.34 0.00 0.00 175.22 171.80 1x3h s PHE 57 N -3.50 1.12 0.03 3.49 0.40 -0.98 -4.98 117.98 113.56 1x3h s PHE 57 Ca 0.63 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 56.26 1x3h s PHE 57 Cb -0.12 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 1x3h s PHE 57 CO 0.50 -0.25 0.99 -2.00 0.70 0.00 0.00 175.22 175.16 1x3h s GLU 58 N 0.86 4.58 -0.06 0.44 2.12 -1.26 -0.88 118.70 124.50 1x3h s GLU 58 Ca -0.12 1.46 -0.02 0.00 0.36 0.00 0.00 54.97 56.65 1x3h s GLU 58 Cb -0.15 -3.43 0.04 0.00 0.26 0.00 0.00 34.13 30.85 1x3h s GLU 58 CO 0.01 -0.00 0.12 -1.17 -0.54 0.00 0.00 175.26 173.68 1x3h s LEU 59 N 0.75 0.51 -1.19 2.70 2.96 0.89 -4.85 118.68 120.46 1x3h s LEU 59 Ca 0.51 0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 54.61 1x3h s LEU 59 Cb -0.22 0.19 0.03 0.00 0.50 0.00 0.00 46.19 46.69 1x3h s LEU 59 CO 0.29 -0.18 0.27 -0.90 -1.32 0.00 0.00 176.35 174.50 1x3h n ASP 60 N 4.62 -4.02 0.00 3.68 5.68 -1.26 0.51 116.55 125.76 1x3h n ASP 60 Ca -0.18 -0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.01 1x3h n ASP 60 Cb 0.51 -3.36 0.00 0.00 -1.14 0.00 0.00 41.12 37.13 1x3h n ASP 60 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x3h n GLY 61 N -1.03 3.14 3.69 6.12 0.00 -1.26 -5.00 105.19 110.85 1x3h n GLY 61 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1x3h n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x3h s ARG 62 N -0.28 3.19 0.78 1.61 3.52 0.18 -5.08 118.95 122.87 1x3h s ARG 62 Ca 0.00 -0.38 -0.11 0.00 -0.13 0.00 0.00 55.73 55.12 1x3h s ARG 62 Cb 0.00 -2.89 0.06 0.00 -1.56 0.00 0.00 34.95 30.56 1x3h s ARG 62 CO 0.00 0.63 1.09 -1.25 -0.81 0.00 0.00 175.30 174.97 1x3h s PRO 63 N -0.68 2.22 0.30 5.12 0.04 -1.26 -0.07 135.00 140.66 1x3h s PRO 63 Ca 0.11 1.16 -0.10 0.00 0.04 0.00 0.00 61.00 62.21 1x3h s PRO 63 Cb -0.12 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1x3h s PRO 63 CO 0.02 -1.67 0.57 1.19 0.04 0.00 0.00 177.00 177.16 1x3h n PHE 64 N -3.54 -1.93 -4.39 0.56 3.01 -0.06 -3.97 117.46 107.14 1x3h n PHE 64 Ca 0.09 -1.46 -0.34 0.00 1.01 0.00 0.00 57.45 56.76 1x3h n PHE 64 Cb 0.53 0.67 -0.12 0.00 -0.01 0.00 0.00 39.48 40.55 1x3h n PHE 64 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x3h n GLU 66 N 3.48 -0.15 -0.14 0.00 2.13 -1.26 0.36 120.64 125.06 1x3h n GLU 66 Ca -0.17 0.57 -0.04 0.00 0.66 0.00 0.00 57.16 58.18 1x3h n GLU 66 Cb 0.52 -0.84 -0.03 0.00 0.27 0.00 0.00 31.44 31.36 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 -4.49 -0.36 0.00 4.31 7.94 -1.26 -1.26 117.00 121.88 1x3h n LEU 67 Ca 0.02 1.12 -0.13 0.00 -1.11 0.00 0.00 56.01 55.91 1x3h n LEU 67 Cb 0.11 -0.33 -0.10 0.00 0.53 0.00 0.00 43.42 43.63 1x3h n LEU 67 CO -0.06 -0.75 0.56 0.45 -1.11 0.00 0.00 177.39 176.47 1x3h h HIS 68 N 0.00 -0.06 -0.72 1.96 3.86 -0.64 -3.04 115.15 116.50 1x3h h HIS 68 Ca 0.06 -0.00 0.28 0.00 -1.16 0.00 0.00 60.37 59.54 1x3h h HIS 68 Cb 0.14 0.02 -0.10 0.00 1.06 0.00 0.00 27.41 28.53 1x3h h HIS 68 CO -0.83 0.46 0.42 0.98 0.86 0.00 0.00 177.93 179.83 1x3h n TYR 69 N -4.86 0.61 0.02 2.45 9.36 0.16 0.24 117.16 125.14 1x3h n TYR 69 Ca -0.09 0.61 -0.20 0.00 3.32 0.00 0.00 57.90 61.55 1x3h n TYR 69 Cb 0.28 -1.03 -0.14 0.00 -0.63 0.00 0.00 39.34 37.82 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 0.46 -0.09 2.98 3.86 -1.18 -3.27 115.15 117.90 1x3h h HIS 70 Ca 0.54 -0.34 0.01 0.00 -1.16 0.00 0.00 60.37 59.42 1x3h h HIS 70 Cb 1.55 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.99 1x3h h HIS 70 CO -0.01 1.37 0.01 1.25 0.86 0.00 0.00 177.93 181.41 1x3h h HIS 71 N -0.42 0.01 -0.50 2.45 -0.00 0.32 -2.79 115.15 114.22 1x3h h HIS 71 Ca -0.19 0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.29 1x3h h HIS 71 Cb 1.62 0.01 -0.09 0.00 -0.00 0.00 0.00 27.41 28.95 1x3h h HIS 71 CO 0.18 -0.00 -0.12 0.00 -0.00 0.00 0.00 177.93 177.98 1x3h h ARG 72 N 0.04 0.00 -0.85 5.26 3.08 -0.54 -0.52 114.38 120.85 1x3h h ARG 72 Ca 0.04 -0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.31 1x3h h ARG 72 Cb 0.04 -0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.96 1x3h h ARG 72 CO -0.07 0.00 0.19 0.00 -1.07 0.00 0.00 179.97 179.02 1x3h h ARG 73 N 0.00 0.19 0.00 0.04 3.08 -1.54 -3.43 114.38 112.71 1x3h h ARG 73 Ca 0.24 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1x3h h ARG 73 Cb 0.36 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1x3h h ARG 73 CO -0.51 0.12 0.00 0.41 -1.07 0.00 0.00 179.97 178.92 1x3h n GLY 74 N -1.39 0.33 3.03 0.04 0.00 -0.23 -5.14 105.19 101.83 1x3h n GLY 74 Ca 0.20 0.45 -0.26 0.00 0.00 0.00 0.00 46.02 46.40 1x3h n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3h s SER 75 N 0.00 2.07 0.15 1.61 0.01 -1.04 -4.92 113.70 111.58 1x3h s SER 75 Ca 0.00 -0.35 0.10 0.00 1.31 0.00 0.00 55.95 57.01 1x3h s SER 75 Cb 0.00 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.25 1x3h s SER 75 CO 0.00 0.02 -0.22 -0.83 0.41 0.00 0.00 173.24 172.62 1x3h s GLY 76 N 0.83 1.66 0.50 3.44 0.00 -1.26 -5.05 107.32 107.43 1x3h s GLY 76 Ca -0.11 -1.48 -0.21 0.00 0.00 0.00 0.00 44.72 42.92 1x3h s GLY 76 CO 0.02 -1.48 1.15 2.56 0.00 0.00 0.00 173.10 175.34 1x3h s PRO 77 N -2.32 3.56 0.01 2.90 0.04 -1.26 -5.00 135.00 132.93 1x3h s PRO 77 Ca 0.18 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.86 1x3h s PRO 77 Cb -0.09 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 1x3h s PRO 77 CO 0.09 -0.70 -0.09 0.43 0.04 0.00 0.00 177.00 176.77 1x3h n SER 78 N -0.89 1.10 -0.21 6.66 7.64 -1.26 -4.75 113.62 121.90 1x3h n SER 78 Ca 0.09 0.16 0.01 0.00 1.01 0.00 0.00 58.87 60.15 1x3h n SER 78 Cb 0.50 -0.41 0.13 0.00 -1.01 0.00 0.00 64.21 63.41 1x3h n SER 78 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x3h h SER 79 N -0.26 0.14 0.00 6.43 0.87 -2.09 -3.58 113.55 115.06 1x3h h SER 79 Ca 0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1x3h h SER 79 Cb 0.26 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1x3h h SER 79 CO 0.00 0.07 0.00 0.61 -0.53 0.00 0.00 176.83 176.98