#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 0.51 0.16 1.61 0.01 -1.26 -5.15 113.70 109.58 1x3h s SER 2 Ca 0.00 0.18 -0.21 0.00 1.31 0.00 0.00 55.95 57.24 1x3h s SER 2 Cb 0.00 0.91 0.06 0.00 0.21 0.00 0.00 66.02 67.20 1x3h s SER 2 CO 0.00 -0.30 0.55 -0.55 0.41 0.00 0.00 173.24 173.35 1x3h s SER 3 N 2.48 -0.44 0.00 2.44 0.15 -1.26 -5.15 113.70 111.92 1x3h s SER 3 Ca 0.10 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1x3h s SER 3 Cb -0.15 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1x3h s SER 3 CO -0.14 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 173.94 1x3h n GLY 4 N -0.34 -0.87 3.33 9.45 0.00 -1.26 -5.13 105.19 110.37 1x3h n GLY 4 Ca -0.16 0.90 -0.40 0.00 0.00 0.00 0.00 46.02 46.37 1x3h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3h s SER 5 N 0.00 5.60 -0.23 1.61 0.01 -1.26 -5.05 113.70 114.38 1x3h s SER 5 Ca 0.00 -1.11 -0.14 0.00 1.31 0.00 0.00 55.95 56.02 1x3h s SER 5 Cb 0.00 -1.97 0.07 0.00 0.21 0.00 0.00 66.02 64.33 1x3h s SER 5 CO 0.00 -0.39 0.57 -0.44 0.41 0.00 0.00 173.24 173.39 1x3h s SER 6 N 1.57 -0.75 0.00 2.44 0.01 -1.26 -5.16 113.70 110.55 1x3h s SER 6 Ca 0.01 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.51 1x3h s SER 6 Cb -0.20 1.13 0.00 0.00 0.21 0.00 0.00 66.02 67.16 1x3h s SER 6 CO 0.05 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1x3h n GLY 7 N 4.15 -0.91 3.37 3.44 0.00 -1.26 -5.05 105.19 108.94 1x3h n GLY 7 Ca -0.21 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.29 -6.94 -1.48 1.61 5.02 -1.26 -4.92 118.16 109.90 1x3h n LYS 8 Ca 0.00 0.77 -0.22 0.00 -2.02 0.00 0.00 58.31 56.85 1x3h n LYS 8 Cb 0.00 -5.62 0.09 0.00 -0.02 0.00 0.00 35.03 29.48 1x3h n LYS 8 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1x3h n ASP 9 N -2.77 4.98 0.13 4.39 5.68 -1.26 -4.74 116.55 122.96 1x3h n ASP 9 Ca -0.09 -3.77 -0.13 0.00 -0.50 0.00 0.00 54.79 50.30 1x3h n ASP 9 Cb 0.59 -0.61 -0.08 0.00 -1.14 0.00 0.00 41.12 39.88 1x3h n ASP 9 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1x3h h PHE 10 N 1.78 -0.33 -2.51 2.11 3.57 -2.05 -3.39 116.94 116.11 1x3h h PHE 10 Ca 0.40 -0.01 -0.61 0.00 3.53 0.00 0.00 57.97 61.28 1x3h h PHE 10 Cb 1.40 0.11 -0.13 0.00 2.79 0.00 0.00 35.95 40.12 1x3h h PHE 10 CO 1.09 0.01 0.71 -1.17 -2.23 0.00 0.00 178.31 176.72 1x3h s LEU 11 N -9.45 4.15 -0.17 0.59 0.20 -1.26 -4.83 118.68 107.90 1x3h s LEU 11 Ca -0.14 -0.98 -0.16 0.00 0.69 0.00 0.00 54.13 53.54 1x3h s LEU 11 Cb 0.02 -2.45 -0.05 0.00 -0.43 0.00 0.00 46.19 43.28 1x3h s LEU 11 CO 0.55 -1.50 -0.31 0.00 -0.29 0.00 0.00 176.35 174.80 1x3h n ALA 12 N 8.01 0.78 -2.42 5.97 0.00 -1.26 -4.95 120.51 126.63 1x3h n ALA 12 Ca 0.01 -0.73 -0.41 0.00 0.00 0.00 0.00 53.44 52.31 1x3h n ALA 12 Cb 0.47 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.73 4.64 0.00 0.00 0.00 -1.26 -4.92 119.30 115.02 1x3h s MET 13 Ca -0.26 1.41 0.00 0.00 0.00 0.00 0.00 55.69 56.84 1x3h s MET 13 Cb 0.04 -3.40 0.00 0.00 0.00 0.00 0.00 34.83 31.46 1x3h s MET 13 CO 0.38 0.13 0.00 1.97 0.00 0.00 0.00 175.02 177.50 1x3h n PHE 14 N 3.16 0.00 -3.73 3.16 -1.74 -1.26 -5.10 117.46 111.95 1x3h n PHE 14 Ca 0.03 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.80 1x3h n PHE 14 Cb 0.50 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.42 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 -3.82 -0.20 0.98 5.98 0.01 -1.26 -5.17 113.70 110.23 1x3h s SER 15 Ca 0.00 -0.03 -0.12 0.00 1.31 0.00 0.00 55.95 57.11 1x3h s SER 15 Cb 0.00 0.36 0.18 0.00 0.21 0.00 0.00 66.02 66.77 1x3h s SER 15 CO 0.00 -0.56 1.09 -2.16 0.41 0.00 0.00 173.24 172.02 1x3h s PRO 16 N -2.05 0.57 0.01 12.44 0.04 -1.26 -4.97 135.00 139.77 1x3h s PRO 16 Ca -0.08 0.58 -0.08 0.00 0.04 0.00 0.00 61.00 61.45 1x3h s PRO 16 Cb -0.02 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1x3h s PRO 16 CO 0.00 -2.65 0.16 0.15 0.04 0.00 0.00 177.00 174.69 1x3h s LYS 17 N -4.96 0.54 0.24 4.56 1.02 -1.26 -3.36 119.74 116.53 1x3h s LYS 17 Ca 0.65 -0.45 -0.31 0.00 0.02 0.00 0.00 55.97 55.88 1x3h s LYS 17 Cb -0.18 0.23 -0.14 0.00 -0.52 0.00 0.00 37.83 37.21 1x3h s LYS 17 CO 0.57 -0.14 1.23 0.00 -0.92 0.00 0.00 175.35 176.10 1x3h n GLY 19 N 1.76 2.29 2.01 0.00 0.00 -0.84 -1.94 105.19 108.47 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 1.35 -0.27 0.01 -0.02 0.00 -1.26 -4.92 105.19 100.08 1x3h n GLY 20 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.92 -3.60 -4.70 0.00 3.02 -0.82 -5.01 115.26 102.24 1x3h n ASN 22 Ca -0.01 -0.14 -0.30 0.00 -0.03 0.00 0.00 54.58 54.10 1x3h n ASN 22 Cb 0.45 -2.46 -0.08 0.00 -0.61 0.00 0.00 39.78 37.08 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 -5.10 2.59 -0.38 3.52 1.81 -1.26 -4.81 118.95 115.32 1x3h s ARG 23 Ca 0.15 -0.82 -0.28 0.00 -1.72 0.00 0.00 55.73 53.05 1x3h s ARG 23 Cb -0.07 -2.56 -0.01 0.00 -0.45 0.00 0.00 34.95 31.86 1x3h s ARG 23 CO 0.18 0.54 1.71 -1.25 -0.68 0.00 0.00 175.30 175.81 1x3h s PRO 24 N -2.32 3.32 -0.14 3.54 0.04 -1.26 -0.25 135.00 137.94 1x3h s PRO 24 Ca 0.26 1.23 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 1x3h s PRO 24 Cb -0.12 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 1x3h s PRO 24 CO 0.19 -1.87 0.54 0.14 0.04 0.00 0.00 177.00 176.04 1x3h s VAL 25 N 6.75 5.13 0.00 -0.36 -7.23 -1.21 -4.91 120.40 118.56 1x3h s VAL 25 Ca 0.74 1.07 0.00 0.00 -1.81 0.00 0.00 61.98 61.98 1x3h s VAL 25 Cb -0.19 -3.88 0.00 0.00 0.56 0.00 0.00 36.38 32.87 1x3h s VAL 25 CO 0.32 0.25 0.00 0.18 -0.31 0.00 0.00 175.10 175.55 1x3h n LEU 26 N 4.10 0.68 -4.74 1.32 4.77 -1.26 -4.85 117.00 117.02 1x3h n LEU 26 Ca -0.05 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.63 1x3h n LEU 26 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1x3h n LEU 26 CO 0.44 0.02 -0.29 -1.83 -1.33 0.00 0.00 177.39 174.39 1x3h s GLU 27 N -1.91 2.74 -1.55 3.23 -1.05 -1.26 -4.58 118.70 114.32 1x3h s GLU 27 Ca 0.00 -0.75 -0.03 0.00 -0.15 0.00 0.00 54.97 54.04 1x3h s GLU 27 Cb 0.00 -2.65 0.03 0.00 -0.44 0.00 0.00 34.13 31.07 1x3h s GLU 27 CO 0.00 0.56 0.21 0.27 0.95 0.00 0.00 175.26 177.24 1x3h n ASN 28 N 0.51 0.15 -4.74 0.83 6.94 -1.26 -4.93 115.26 112.76 1x3h n ASN 28 Ca -0.10 -1.19 -0.31 0.00 -0.02 0.00 0.00 54.58 52.97 1x3h n ASN 28 Cb 0.52 -2.05 -0.07 0.00 -2.36 0.00 0.00 39.78 35.82 1x3h n ASN 28 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1x3h s TYR 29 N -4.12 3.13 0.39 -2.53 1.13 -1.26 -4.05 117.35 110.04 1x3h s TYR 29 Ca 0.11 0.06 0.08 0.00 -1.41 0.00 0.00 57.07 55.91 1x3h s TYR 29 Cb -0.06 -1.61 -0.01 0.00 -1.10 0.00 0.00 41.96 39.17 1x3h s TYR 29 CO 0.97 0.51 0.43 -0.51 -2.51 0.00 0.00 175.55 174.43 1x3h s LEU 30 N -2.22 3.60 -0.32 -3.49 1.02 -0.95 -4.94 118.68 111.39 1x3h s LEU 30 Ca 0.27 -0.52 -0.02 0.00 0.02 0.00 0.00 54.13 53.88 1x3h s LEU 30 Cb -0.12 -2.37 0.11 0.00 0.02 0.00 0.00 46.19 43.83 1x3h s LEU 30 CO 0.19 -0.59 0.13 -0.44 0.02 0.00 0.00 176.35 175.66 1x3h s SER 31 N -4.17 3.76 0.13 2.29 0.01 -1.26 -1.68 113.70 112.79 1x3h s SER 31 Ca 0.48 -1.65 0.05 0.00 1.31 0.00 0.00 55.95 56.14 1x3h s SER 31 Cb -0.07 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1x3h s SER 31 CO 0.30 -0.40 -0.12 0.00 0.41 0.00 0.00 173.24 173.43 1x3h s ALA 32 N 1.63 1.44 -1.56 1.44 0.00 0.19 -4.82 121.76 120.08 1x3h s ALA 32 Ca 0.11 -1.39 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 1x3h s ALA 32 Cb -0.18 -0.00 0.08 0.00 0.00 0.00 0.00 23.12 23.02 1x3h s ALA 32 CO -0.25 -0.02 0.56 -1.33 0.00 0.00 0.00 175.76 174.73 1x3h n MET 33 N 0.14 -3.05 -2.25 0.00 2.81 -1.26 0.99 117.12 114.49 1x3h n MET 33 Ca -0.13 0.36 -0.15 0.00 -1.81 0.00 0.00 57.70 55.97 1x3h n MET 33 Cb 0.59 -4.73 -0.02 0.00 -0.71 0.00 0.00 33.22 28.36 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 -2.82 -4.54 -3.21 7.83 2.03 -1.26 -4.91 116.55 109.66 1x3h n ASP 34 Ca -0.13 0.16 -0.16 0.00 0.52 0.00 0.00 54.79 55.18 1x3h n ASP 34 Cb 0.59 -3.88 -0.05 0.00 -0.72 0.00 0.00 41.12 37.07 1x3h n ASP 34 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1x3h s THR 35 N -2.69 0.00 0.22 5.18 -1.32 0.28 -5.17 115.64 112.13 1x3h s THR 35 Ca 0.00 -1.70 0.06 0.00 -1.21 0.00 0.00 61.69 58.84 1x3h s THR 35 Cb 0.00 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.33 1x3h s THR 35 CO 0.00 0.00 0.19 0.68 -2.21 0.00 0.00 174.62 173.28 1x3h s VAL 36 N -3.08 4.56 0.36 5.08 -7.23 -1.26 0.53 120.40 119.36 1x3h s VAL 36 Ca 0.33 -1.24 0.01 0.00 -1.81 0.00 0.00 61.98 59.27 1x3h s VAL 36 Cb 0.00 -3.42 -0.00 0.00 0.56 0.00 0.00 36.38 33.52 1x3h s VAL 36 CO 0.23 -0.26 0.45 0.26 -0.31 0.00 0.00 175.10 175.46 1x3h s TRP 37 N -1.99 1.29 -0.03 2.82 0.52 -0.68 -1.99 118.94 118.89 1x3h s TRP 37 Ca 0.32 -1.43 0.01 0.00 0.02 0.00 0.00 56.10 55.02 1x3h s TRP 37 Cb -0.09 -0.24 -0.03 0.00 -1.15 0.00 0.00 33.47 31.96 1x3h s TRP 37 CO 0.25 -1.11 -0.03 -1.01 0.02 0.00 0.00 176.95 175.07 1x3h s HIS 38 N -3.00 3.02 -1.88 -1.98 3.76 -1.26 -2.23 115.29 111.72 1x3h s HIS 38 Ca 0.33 0.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.31 1x3h s HIS 38 Cb -0.00 -1.69 0.00 0.00 1.11 0.00 0.00 32.58 32.00 1x3h s HIS 38 CO 0.24 0.41 0.46 -0.35 -0.85 0.00 0.00 174.74 174.65 1x3h n PRO 39 N 1.76 0.49 0.00 8.40 -0.04 -1.26 -1.49 135.00 142.86 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 -1.03 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 -0.41 1.75 -0.07 0.54 0.28 -1.26 -4.86 120.64 116.61 1x3h n GLU 40 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 1x3h n GLU 40 Cb 0.01 -0.77 -0.12 0.00 1.43 0.00 0.00 31.44 31.99 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 -4.35 0.40 -3.99 0.00 7.35 -0.56 -4.80 117.46 111.52 1x3h n PHE 42 Ca -0.25 0.04 -0.10 0.00 -0.76 0.00 0.00 57.45 56.39 1x3h n PHE 42 Cb 0.68 -1.31 -0.07 0.00 0.35 0.00 0.00 39.48 39.14 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 5.08 0.03 1.03 -2.13 -7.23 -1.26 -4.34 120.40 111.59 1x3h s VAL 43 Ca 1.22 -1.44 -0.16 0.00 -1.81 0.00 0.00 61.98 59.79 1x3h s VAL 43 Cb -0.70 -2.02 0.05 0.00 0.56 0.00 0.00 36.38 34.28 1x3h s VAL 43 CO 0.43 -0.16 0.14 0.00 -0.31 0.00 0.00 175.10 175.20 1x3h n GLY 45 N 1.85 -0.98 0.02 0.00 0.00 -0.60 -3.36 105.19 102.12 1x3h n GLY 45 Ca 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 1x3h n GLY 45 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x3h h ASP 46 N 0.00 0.00 0.92 1.61 3.32 -1.92 -3.40 116.42 116.94 1x3h h ASP 46 Ca -0.46 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 1x3h h ASP 46 Cb 2.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.69 1x3h h ASP 46 CO 0.05 0.19 -0.55 0.00 -1.72 0.00 0.00 179.24 177.20 1x3h n PHE 48 N -3.52 -2.18 -3.95 0.00 3.72 -1.21 -4.97 117.46 105.34 1x3h n PHE 48 Ca -0.00 0.84 -0.31 0.00 -0.05 0.00 0.00 57.45 57.92 1x3h n PHE 48 Cb 0.64 -4.54 -0.05 0.00 -0.94 0.00 0.00 39.48 34.59 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 -3.29 5.22 0.27 4.37 -1.32 -1.26 -4.68 115.64 114.96 1x3h s THR 49 Ca 0.26 -0.42 -0.29 0.00 -1.21 0.00 0.00 61.69 60.02 1x3h s THR 49 Cb -0.12 -3.52 -0.09 0.00 -1.51 0.00 0.00 72.50 67.26 1x3h s THR 49 CO 0.62 0.17 1.08 -0.55 -2.21 0.00 0.00 174.62 173.74 1x3h s SER 50 N -2.38 7.31 -1.23 8.08 0.15 -1.26 -2.20 113.70 122.17 1x3h s SER 50 Ca 0.32 2.23 -0.13 0.00 0.70 0.00 0.00 55.95 59.08 1x3h s SER 50 Cb -0.13 -2.62 0.17 0.00 -1.71 0.00 0.00 66.02 61.73 1x3h s SER 50 CO 0.25 -0.11 1.52 0.49 1.20 0.00 0.00 173.24 176.59 1x3h n PHE 51 N 1.23 4.63 -0.05 3.44 3.72 -1.26 -4.86 117.46 124.31 1x3h n PHE 51 Ca -0.01 -3.26 -0.13 0.00 -0.05 0.00 0.00 57.45 54.00 1x3h n PHE 51 Cb 0.45 -2.16 -0.09 0.00 -0.94 0.00 0.00 39.48 36.74 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 6.91 -1.62 -4.24 4.37 0.87 -1.94 -3.42 113.55 114.48 1x3h h SER 52 Ca 0.34 0.20 -0.52 0.00 -1.23 0.00 0.00 61.79 60.57 1x3h h SER 52 Cb 0.83 0.64 0.16 0.00 -0.44 0.00 0.00 62.40 63.60 1x3h h SER 52 CO 1.31 -0.41 0.31 0.28 -0.53 0.00 0.00 176.83 177.79 1x3h s THR 53 N -5.43 2.46 -1.46 2.23 -1.32 -1.26 -4.89 115.64 105.97 1x3h s THR 53 Ca -0.14 0.18 -0.09 0.00 -1.21 0.00 0.00 61.69 60.43 1x3h s THR 53 Cb 0.07 -2.52 0.03 0.00 -1.51 0.00 0.00 72.50 68.57 1x3h s THR 53 CO 0.55 -0.17 2.51 0.61 -2.21 0.00 0.00 174.62 175.92 1x3h n GLY 54 N -0.04 4.62 3.65 6.08 0.00 -1.26 -4.79 105.19 113.44 1x3h n GLY 54 Ca 0.12 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.36 1x3h n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x3h s SER 55 N 1.68 -1.10 0.02 1.61 1.04 -1.26 -5.17 113.70 110.52 1x3h s SER 55 Ca 0.57 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.56 1x3h s SER 55 Cb 0.16 2.10 -0.02 0.00 0.10 0.00 0.00 66.02 68.36 1x3h s SER 55 CO -0.07 -0.22 -0.03 0.72 0.98 0.00 0.00 173.24 174.62 1x3h s PHE 56 N 2.61 0.29 -0.16 5.02 -0.71 -1.26 -4.96 117.98 118.81 1x3h s PHE 56 Ca -0.07 -0.53 -0.03 0.00 -1.04 0.00 0.00 56.93 55.26 1x3h s PHE 56 Cb -0.10 -0.20 -0.02 0.00 -1.21 0.00 0.00 43.02 41.48 1x3h s PHE 56 CO -0.19 -0.18 -0.04 -0.06 -1.34 0.00 0.00 175.22 173.40 1x3h s PHE 57 N -1.45 2.99 -0.10 3.49 0.08 -1.22 -5.05 117.98 116.72 1x3h s PHE 57 Ca -0.16 -0.41 -0.18 0.00 0.12 0.00 0.00 56.93 56.31 1x3h s PHE 57 Cb -0.10 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 1x3h s PHE 57 CO -0.01 -0.12 0.46 -2.00 -0.10 0.00 0.00 175.22 173.45 1x3h s GLU 58 N 0.53 4.29 -0.17 0.44 2.12 -1.26 -2.57 118.70 122.07 1x3h s GLU 58 Ca -0.04 0.44 -0.05 0.00 0.36 0.00 0.00 54.97 55.69 1x3h s GLU 58 Cb -0.14 -3.41 0.06 0.00 0.26 0.00 0.00 34.13 30.90 1x3h s GLU 58 CO 0.03 0.24 0.08 -1.17 -0.54 0.00 0.00 175.26 173.90 1x3h s LEU 59 N 0.37 0.41 -1.32 2.70 2.96 -0.87 -4.86 118.68 118.06 1x3h s LEU 59 Ca 0.25 -0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 1x3h s LEU 59 Cb -0.15 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.28 1x3h s LEU 59 CO 0.11 -0.34 1.10 -0.67 -1.32 0.00 0.00 176.35 175.22 1x3h n ASP 60 N 5.26 -4.75 -3.25 3.68 -0.08 -1.26 -2.04 116.55 114.11 1x3h n ASP 60 Ca -0.07 -0.60 -0.23 0.00 -1.51 0.00 0.00 54.79 52.38 1x3h n ASP 60 Cb 0.49 -4.93 0.05 0.00 2.34 0.00 0.00 41.12 39.07 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 -1.71 -0.54 2.93 0.27 0.00 -1.26 -4.99 105.19 99.89 1x3h n GLY 61 Ca -0.09 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.95 0.10 -0.09 1.61 0.52 -0.86 -5.13 118.95 109.15 1x3h s ARG 62 Ca 0.42 0.39 -0.30 0.00 -0.52 0.00 0.00 55.73 55.72 1x3h s ARG 62 Cb -0.18 -0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.06 1x3h s ARG 62 CO 0.52 -0.17 1.52 -1.25 0.02 0.00 0.00 175.30 175.94 1x3h s PRO 63 N 1.21 4.20 0.21 3.54 0.04 -1.26 -2.06 135.00 140.88 1x3h s PRO 63 Ca -0.09 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.00 1x3h s PRO 63 Cb -0.12 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.48 1x3h s PRO 63 CO -0.06 -0.79 -0.01 -0.06 0.04 0.00 0.00 177.00 176.12 1x3h s PHE 64 N 3.79 1.46 0.47 0.56 0.08 -1.06 -1.55 117.98 121.73 1x3h s PHE 64 Ca 0.67 -0.92 -0.01 0.00 0.12 0.00 0.00 56.93 56.78 1x3h s PHE 64 Cb -0.30 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.32 1x3h s PHE 64 CO 0.25 -0.06 0.71 0.00 -0.10 0.00 0.00 175.22 176.02 1x3h h GLU 66 N 0.30 0.43 0.00 0.00 4.81 -1.94 0.67 114.58 118.85 1x3h h GLU 66 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1x3h h GLU 66 Cb 1.25 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1x3h h GLU 66 CO 0.58 0.28 0.00 -0.11 -0.73 0.00 0.00 179.01 179.04 1x3h n LEU 67 N -4.95 0.00 0.12 1.64 -0.00 -1.26 -1.43 117.00 111.11 1x3h n LEU 67 Ca 0.07 0.96 -0.13 0.00 -0.00 0.00 0.00 56.01 56.91 1x3h n LEU 67 Cb 0.21 -0.46 -0.08 0.00 -0.00 0.00 0.00 43.42 43.09 1x3h n LEU 67 CO 0.25 -0.46 0.71 0.45 -0.00 0.00 0.00 177.39 178.34 1x3h h HIS 68 N 0.00 -0.24 -0.72 1.96 3.86 -1.95 -3.09 115.15 114.98 1x3h h HIS 68 Ca 0.00 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.33 1x3h h HIS 68 Cb 0.00 0.08 -0.13 0.00 1.06 0.00 0.00 27.41 28.42 1x3h h HIS 68 CO -0.44 -0.02 -0.22 0.98 0.86 0.00 0.00 177.93 179.09 1x3h n TYR 69 N -5.13 0.16 0.21 2.45 9.36 0.23 0.79 117.16 125.22 1x3h n TYR 69 Ca -0.09 0.88 -0.15 0.00 3.32 0.00 0.00 57.90 61.86 1x3h n TYR 69 Cb 0.18 -0.85 -0.08 0.00 -0.63 0.00 0.00 39.34 37.96 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 -0.42 0.66 2.98 3.86 -1.18 -1.69 115.15 119.35 1x3h h HIS 70 Ca 0.30 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.48 1x3h h HIS 70 Cb 0.48 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1x3h h HIS 70 CO -0.58 -0.25 -0.48 1.25 0.86 0.00 0.00 177.93 178.73 1x3h h HIS 71 N -0.47 -1.30 -0.82 2.45 -0.00 0.45 -2.77 115.15 112.69 1x3h h HIS 71 Ca -0.05 -0.00 0.19 0.00 -0.00 0.00 0.00 60.37 60.51 1x3h h HIS 71 Cb 0.36 0.48 -0.15 0.00 -0.00 0.00 0.00 27.41 28.10 1x3h h HIS 71 CO -0.05 -0.68 -0.06 0.00 -0.00 0.00 0.00 177.93 177.14 1x3h h ARG 72 N -1.09 0.05 -0.82 5.26 3.08 -0.24 0.30 114.38 120.93 1x3h h ARG 72 Ca -0.09 -0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.16 1x3h h ARG 72 Cb 0.90 -0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.81 1x3h h ARG 72 CO 0.04 0.03 0.21 0.00 -1.07 0.00 0.00 179.97 179.19 1x3h h ARG 73 N 0.05 0.25 -3.08 0.04 3.08 -1.02 -2.82 114.38 110.88 1x3h h ARG 73 Ca 0.44 -0.01 -0.80 0.00 0.07 0.00 0.00 59.98 59.68 1x3h h ARG 73 Cb 0.78 -0.06 -0.28 0.00 0.08 0.00 0.00 29.97 30.49 1x3h h ARG 73 CO -0.77 0.16 0.65 0.41 -1.07 0.00 0.00 179.97 179.35 1x3h n GLY 74 N -1.37 4.90 2.98 0.04 0.00 0.10 -4.94 105.19 106.91 1x3h n GLY 74 Ca 0.18 -2.65 -0.31 0.00 0.00 0.00 0.00 46.02 43.24 1x3h n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x3h s SER 75 N -0.96 4.57 0.99 1.61 1.04 -1.07 -4.94 113.70 114.95 1x3h s SER 75 Ca 0.31 -2.47 -0.15 0.00 0.48 0.00 0.00 55.95 54.12 1x3h s SER 75 Cb 0.01 -1.61 0.01 0.00 0.10 0.00 0.00 66.02 64.53 1x3h s SER 75 CO 0.05 -0.32 0.06 0.61 0.98 0.00 0.00 173.24 174.61 1x3h n GLY 76 N 3.83 -2.57 3.61 7.32 0.00 -1.26 -4.97 105.19 111.16 1x3h n GLY 76 Ca 0.04 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.27 -0.82 0.14 1.61 0.04 -1.26 -5.09 135.00 126.34 1x3h s PRO 77 Ca 0.53 0.08 -0.06 0.00 0.04 0.00 0.00 61.00 61.59 1x3h s PRO 77 Cb -0.18 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 1x3h s PRO 77 CO 0.70 -3.47 0.18 -1.54 0.04 0.00 0.00 177.00 172.91 1x3h s SER 78 N -3.77 0.16 0.32 6.66 1.04 -1.26 -5.15 113.70 111.70 1x3h s SER 78 Ca 0.69 -0.96 -0.28 0.00 0.48 0.00 0.00 55.95 55.89 1x3h s SER 78 Cb -0.12 0.37 -0.09 0.00 0.10 0.00 0.00 66.02 66.27 1x3h s SER 78 CO 0.56 -0.81 1.10 -0.94 0.98 0.00 0.00 173.24 174.14 1x3h s SER 79 N -2.98 7.07 0.00 7.02 1.04 -1.26 -5.35 113.70 119.24 1x3h s SER 79 Ca 0.17 2.24 0.00 0.00 0.48 0.00 0.00 55.95 58.84 1x3h s SER 79 Cb 0.05 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1x3h s SER 79 CO -0.01 -0.28 0.12 0.61 0.98 0.00 0.00 173.24 174.65