#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 -0.85 -0.28 1.61 1.04 -1.26 -5.16 113.70 108.81 1x3h s SER 2 Ca 0.00 1.24 -0.12 0.00 0.48 0.00 0.00 55.95 57.56 1x3h s SER 2 Cb 0.00 1.72 0.11 0.00 0.10 0.00 0.00 66.02 67.94 1x3h s SER 2 CO 0.00 -0.18 0.63 -0.44 0.98 0.00 0.00 173.24 174.23 1x3h s SER 3 N 2.17 -0.98 -0.22 7.02 0.01 -1.26 -5.14 113.70 115.31 1x3h s SER 3 Ca -0.07 1.48 -0.04 0.00 1.31 0.00 0.00 55.95 58.63 1x3h s SER 3 Cb -0.07 1.87 0.08 0.00 0.21 0.00 0.00 66.02 68.11 1x3h s SER 3 CO -0.18 -0.23 0.12 -0.83 0.41 0.00 0.00 173.24 172.54 1x3h s GLY 4 N 2.42 0.36 -0.30 3.44 0.00 -1.26 -5.10 107.32 106.88 1x3h s GLY 4 Ca -0.07 -0.58 -0.17 0.00 0.00 0.00 0.00 44.72 43.90 1x3h s GLY 4 CO -0.18 1.93 1.11 -1.35 0.00 0.00 0.00 173.10 174.60 1x3h s SER 5 N 2.15 -0.36 -0.29 1.64 1.04 -1.26 -5.17 113.70 111.45 1x3h s SER 5 Ca 0.05 0.51 -0.24 0.00 0.48 0.00 0.00 55.95 56.75 1x3h s SER 5 Cb -0.16 1.35 0.14 0.00 0.10 0.00 0.00 66.02 67.45 1x3h s SER 5 CO -0.21 -0.07 1.11 -0.44 0.98 0.00 0.00 173.24 174.60 1x3h s SER 6 N 2.01 -0.38 0.00 7.02 0.01 -1.26 -5.07 113.70 116.04 1x3h s SER 6 Ca -0.03 0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.94 1x3h s SER 6 Cb -0.04 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.96 1x3h s SER 6 CO -0.16 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1x3h n GLY 7 N 2.23 0.76 2.19 3.44 0.00 -1.26 -5.02 105.19 107.53 1x3h n GLY 7 Ca -0.13 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 1x3h n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x3h n LYS 8 N 0.00 2.37 -3.42 1.61 2.85 -1.26 -4.81 118.16 115.51 1x3h n LYS 8 Ca 0.00 -2.83 -0.01 0.00 -1.05 0.00 0.00 58.31 54.42 1x3h n LYS 8 Cb 0.00 -2.11 -0.04 0.00 -0.65 0.00 0.00 35.03 32.23 1x3h n LYS 8 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1x3h s ASP 9 N -1.27 -0.93 0.99 -5.58 -4.77 -1.26 -5.17 116.67 98.68 1x3h s ASP 9 Ca 0.55 1.05 -0.15 0.00 -3.30 0.00 0.00 52.55 50.70 1x3h s ASP 9 Cb 0.44 1.96 0.21 0.00 -1.09 0.00 0.00 42.92 44.45 1x3h s ASP 9 CO 0.02 -0.25 1.26 0.49 0.70 0.00 0.00 175.17 177.40 1x3h n PHE 10 N 5.42 -3.96 -1.35 2.11 3.72 -1.26 -4.85 117.46 117.29 1x3h n PHE 10 Ca -0.06 -1.15 -0.53 0.00 -0.05 0.00 0.00 57.45 55.67 1x3h n PHE 10 Cb 0.50 -0.97 -0.12 0.00 -0.94 0.00 0.00 39.48 37.95 1x3h n PHE 10 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1x3h n LEU 11 N 0.00 0.81 -2.34 4.37 7.99 -1.26 -4.79 117.00 121.78 1x3h n LEU 11 Ca 0.16 0.47 -0.31 0.00 -0.01 0.00 0.00 56.01 56.32 1x3h n LEU 11 Cb 0.55 -0.96 0.04 0.00 -0.11 0.00 0.00 43.42 42.94 1x3h n LEU 11 CO 0.40 -0.77 0.90 0.00 -1.51 0.00 0.00 177.39 176.41 1x3h n ALA 12 N 8.86 5.78 -3.68 -1.18 0.00 -1.26 -4.88 120.51 124.15 1x3h n ALA 12 Ca 0.56 -3.78 -0.30 0.00 0.00 0.00 0.00 53.44 49.92 1x3h n ALA 12 Cb 0.03 -1.18 -0.15 0.00 0.00 0.00 0.00 19.45 18.14 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 -3.76 0.63 0.00 0.00 -1.94 -1.26 -4.95 119.30 108.03 1x3h s MET 13 Ca 0.56 -1.03 0.00 0.00 -1.71 0.00 0.00 55.69 53.51 1x3h s MET 13 Cb 0.45 -1.81 0.00 0.00 2.01 0.00 0.00 34.83 35.48 1x3h s MET 13 CO -0.08 -1.01 0.00 0.34 -0.01 0.00 0.00 175.02 174.26 1x3h n PHE 14 N 4.82 -0.02 -1.83 -0.03 7.35 -1.26 -5.07 117.46 121.42 1x3h n PHE 14 Ca -0.02 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.32 1x3h n PHE 14 Cb 0.41 0.08 0.05 0.00 0.35 0.00 0.00 39.48 40.37 1x3h n PHE 14 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1x3h s SER 15 N -5.03 4.90 1.02 -2.13 0.01 -1.26 -5.01 113.70 106.20 1x3h s SER 15 Ca 0.00 2.36 -0.13 0.00 1.31 0.00 0.00 55.95 59.49 1x3h s SER 15 Cb 0.00 -2.59 0.20 0.00 0.21 0.00 0.00 66.02 63.84 1x3h s SER 15 CO 0.00 -1.79 1.09 -2.16 0.41 0.00 0.00 173.24 170.80 1x3h s PRO 16 N -3.55 0.27 0.01 12.44 0.04 -1.26 -4.99 135.00 137.95 1x3h s PRO 16 Ca 0.76 0.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.21 1x3h s PRO 16 Cb -0.30 -1.72 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 1x3h s PRO 16 CO 0.37 -2.83 0.10 0.15 0.04 0.00 0.00 177.00 174.83 1x3h s LYS 17 N -4.97 0.46 0.19 4.56 1.02 -1.26 -3.71 119.74 116.03 1x3h s LYS 17 Ca 0.66 -0.46 -0.33 0.00 0.02 0.00 0.00 55.97 55.86 1x3h s LYS 17 Cb -0.19 0.19 -0.15 0.00 -0.52 0.00 0.00 37.83 37.16 1x3h s LYS 17 CO 0.58 -0.11 1.31 0.00 -0.92 0.00 0.00 175.35 176.21 1x3h n GLY 19 N 2.23 2.28 1.97 0.00 0.00 -0.94 -1.79 105.19 108.95 1x3h n GLY 19 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.83 -0.46 0.02 -0.02 0.00 -1.26 -4.93 105.19 100.37 1x3h n GLY 20 Ca 0.09 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.37 -5.73 -4.62 0.00 3.02 -0.74 -4.99 115.26 100.84 1x3h n ASN 22 Ca 0.03 -0.51 -0.29 0.00 -0.03 0.00 0.00 54.58 53.78 1x3h n ASN 22 Cb 0.28 -4.77 -0.09 0.00 -0.61 0.00 0.00 39.78 34.59 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 -6.14 2.26 -0.46 3.52 0.52 -1.26 -4.83 118.95 112.56 1x3h s ARG 23 Ca 0.50 -0.99 -0.28 0.00 -0.52 0.00 0.00 55.73 54.44 1x3h s ARG 23 Cb -0.22 -2.37 -0.02 0.00 0.52 0.00 0.00 34.95 32.86 1x3h s ARG 23 CO 0.69 0.51 1.77 -1.25 0.02 0.00 0.00 175.30 177.04 1x3h s PRO 24 N -2.32 3.06 -0.06 3.54 0.04 -1.26 -1.18 135.00 136.82 1x3h s PRO 24 Ca 0.23 1.00 -0.22 0.00 0.04 0.00 0.00 61.00 62.06 1x3h s PRO 24 Cb -0.11 -4.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 1x3h s PRO 24 CO 0.16 -2.19 0.64 0.14 0.04 0.00 0.00 177.00 175.78 1x3h s VAL 25 N 7.62 5.02 0.00 -0.36 -7.23 -1.24 -4.92 120.40 119.30 1x3h s VAL 25 Ca 0.72 1.31 0.00 0.00 -1.81 0.00 0.00 61.98 62.20 1x3h s VAL 25 Cb -0.17 -3.98 0.00 0.00 0.56 0.00 0.00 36.38 32.79 1x3h s VAL 25 CO 0.28 0.31 0.00 0.18 -0.31 0.00 0.00 175.10 175.56 1x3h n LEU 26 N 3.46 0.36 -4.69 1.32 4.77 -1.26 -4.88 117.00 116.06 1x3h n LEU 26 Ca -0.04 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.62 1x3h n LEU 26 Cb 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1x3h n LEU 26 CO 0.45 -0.13 -0.32 -1.83 -1.33 0.00 0.00 177.39 174.24 1x3h s GLU 27 N -1.89 2.76 -1.44 3.23 4.04 -1.26 -4.59 118.70 119.55 1x3h s GLU 27 Ca 0.00 -0.65 -0.01 0.00 0.04 0.00 0.00 54.97 54.35 1x3h s GLU 27 Cb 0.00 -2.66 0.01 0.00 0.02 0.00 0.00 34.13 31.50 1x3h s GLU 27 CO 0.00 0.61 0.36 -1.71 -1.84 0.00 0.00 175.26 172.68 1x3h n ASN 28 N 1.17 -0.20 -4.67 0.83 2.85 -1.26 -4.96 115.26 109.02 1x3h n ASN 28 Ca -0.13 -1.05 -0.27 0.00 -0.11 0.00 0.00 54.58 53.01 1x3h n ASN 28 Cb 0.52 -2.81 -0.08 0.00 1.24 0.00 0.00 39.78 38.65 1x3h n ASN 28 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1x3h s TYR 29 N -4.01 2.89 0.40 1.20 1.13 -1.26 -4.10 117.35 113.60 1x3h s TYR 29 Ca 0.03 -0.11 0.08 0.00 -1.41 0.00 0.00 57.07 55.65 1x3h s TYR 29 Cb -0.01 -1.42 -0.02 0.00 -1.10 0.00 0.00 41.96 39.40 1x3h s TYR 29 CO 0.91 0.50 0.34 -0.51 -2.51 0.00 0.00 175.55 174.28 1x3h s LEU 30 N -2.79 3.40 -0.32 -3.49 1.02 -0.93 -4.94 118.68 110.63 1x3h s LEU 30 Ca 0.27 -0.73 -0.01 0.00 0.02 0.00 0.00 54.13 53.68 1x3h s LEU 30 Cb -0.10 -2.02 0.11 0.00 0.02 0.00 0.00 46.19 44.19 1x3h s LEU 30 CO 0.19 -0.58 0.13 -0.44 0.02 0.00 0.00 176.35 175.66 1x3h s SER 31 N -4.08 3.80 0.12 2.29 0.01 -1.26 -1.69 113.70 112.89 1x3h s SER 31 Ca 0.46 -1.70 0.05 0.00 1.31 0.00 0.00 55.95 56.07 1x3h s SER 31 Cb -0.03 -0.72 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1x3h s SER 31 CO 0.27 -0.40 -0.12 0.00 0.41 0.00 0.00 173.24 173.40 1x3h s ALA 32 N 1.57 1.38 -1.52 1.44 0.00 0.19 -4.82 121.76 119.99 1x3h s ALA 32 Ca 0.11 -1.32 -0.08 0.00 0.00 0.00 0.00 51.96 50.67 1x3h s ALA 32 Cb -0.18 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 22.99 1x3h s ALA 32 CO -0.23 0.01 0.61 -1.33 0.00 0.00 0.00 175.76 174.81 1x3h n MET 33 N 0.34 -3.52 -1.99 0.00 2.81 -1.26 0.79 117.12 114.29 1x3h n MET 33 Ca -0.14 0.42 -0.16 0.00 -1.81 0.00 0.00 57.70 56.01 1x3h n MET 33 Cb 0.58 -4.84 -0.03 0.00 -0.71 0.00 0.00 33.22 28.22 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 -2.86 -4.46 -2.80 7.83 2.03 -1.26 -4.90 116.55 110.13 1x3h n ASP 34 Ca -0.14 0.24 -0.15 0.00 0.52 0.00 0.00 54.79 55.26 1x3h n ASP 34 Cb 0.60 -3.89 -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 1.07 -1.92 0.00 0.00 177.20 176.35 1x3h n THR 35 N -2.92 0.00 -3.99 5.18 5.66 0.24 -5.17 114.28 113.29 1x3h n THR 35 Ca -0.17 -1.81 -0.22 0.00 -3.05 0.00 0.00 64.05 58.80 1x3h n THR 35 Cb 0.59 0.98 -0.04 0.00 -1.55 0.00 0.00 70.33 70.31 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 -2.97 4.10 0.36 1.08 -7.23 -1.26 0.54 120.40 115.02 1x3h s VAL 36 Ca 0.30 -1.38 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1x3h s VAL 36 Cb 0.01 -3.32 0.01 0.00 0.56 0.00 0.00 36.38 33.64 1x3h s VAL 36 CO 0.21 -0.28 0.53 0.26 -0.31 0.00 0.00 175.10 175.51 1x3h s TRP 37 N -2.20 1.01 -0.04 2.82 0.52 -0.68 -2.20 118.94 118.17 1x3h s TRP 37 Ca 0.36 -1.29 0.02 0.00 0.02 0.00 0.00 56.10 55.21 1x3h s TRP 37 Cb -0.07 0.03 -0.03 0.00 -1.15 0.00 0.00 33.47 32.24 1x3h s TRP 37 CO 0.26 -1.23 -0.07 -1.01 0.02 0.00 0.00 176.95 174.92 1x3h s HIS 38 N -2.81 2.92 -2.00 -1.98 3.76 -1.26 -2.19 115.29 111.73 1x3h s HIS 38 Ca 0.29 -0.00 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 1x3h s HIS 38 Cb -0.01 -1.67 0.06 0.00 1.11 0.00 0.00 32.58 32.07 1x3h s HIS 38 CO 0.21 0.35 0.54 -0.35 -0.85 0.00 0.00 174.74 174.64 1x3h n PRO 39 N 1.95 0.48 0.00 8.40 -0.04 -1.26 -1.33 135.00 143.21 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 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.53 2.71 -0.10 0.54 0.28 -1.26 -4.85 120.64 117.42 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 -0.85 -0.11 0.00 1.43 0.00 0.00 31.44 31.91 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 -4.44 0.52 -3.50 0.00 7.35 -0.44 -4.81 117.46 112.13 1x3h n PHE 42 Ca -0.31 0.23 -0.12 0.00 -0.76 0.00 0.00 57.45 56.50 1x3h n PHE 42 Cb 0.66 -1.90 -0.03 0.00 0.35 0.00 0.00 39.48 38.56 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 7.10 0.03 1.06 -2.13 -7.23 -1.26 -4.36 120.40 113.60 1x3h s VAL 43 Ca 1.29 -0.21 -0.21 0.00 -1.81 0.00 0.00 61.98 61.05 1x3h s VAL 43 Cb -0.99 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 1x3h s VAL 43 CO 0.47 -0.12 -0.50 0.00 -0.31 0.00 0.00 175.10 174.65 1x3h n GLY 45 N 2.53 -0.78 0.03 0.00 0.00 -1.09 -3.54 105.19 102.35 1x3h n GLY 45 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 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 1.82 1.61 5.19 -1.92 -3.40 116.42 119.72 1x3h h ASP 46 Ca -0.56 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.81 1x3h h ASP 46 Cb 2.13 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.63 1x3h h ASP 46 CO -0.01 0.35 -0.17 0.00 -3.12 0.00 0.00 179.24 176.29 1x3h n PHE 48 N -3.14 -2.13 -3.71 0.00 3.72 -1.23 -4.95 117.46 106.01 1x3h n PHE 48 Ca 0.03 0.89 -0.27 0.00 -0.05 0.00 0.00 57.45 58.05 1x3h n PHE 48 Cb 0.60 -4.73 -0.03 0.00 -0.94 0.00 0.00 39.48 34.38 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 -3.46 5.21 0.20 4.37 -1.32 -1.26 -4.62 115.64 114.76 1x3h s THR 49 Ca 0.06 -0.37 -0.21 0.00 -1.21 0.00 0.00 61.69 59.97 1x3h s THR 49 Cb -0.01 -3.73 -0.08 0.00 -1.51 0.00 0.00 72.50 67.17 1x3h s THR 49 CO 0.76 -0.16 0.73 -0.55 -2.21 0.00 0.00 174.62 173.19 1x3h s SER 50 N -3.13 7.14 -0.93 8.08 0.15 -1.26 -1.74 113.70 122.01 1x3h s SER 50 Ca 0.38 1.47 -0.02 0.00 0.70 0.00 0.00 55.95 58.49 1x3h s SER 50 Cb -0.11 -2.44 0.26 0.00 -1.71 0.00 0.00 66.02 62.02 1x3h s SER 50 CO 0.29 0.09 1.05 0.49 1.20 0.00 0.00 173.24 176.36 1x3h n PHE 51 N 0.99 3.58 -0.04 3.44 3.72 -1.26 -4.79 117.46 123.09 1x3h n PHE 51 Ca -0.04 -3.60 -0.22 0.00 -0.05 0.00 0.00 57.45 53.55 1x3h n PHE 51 Cb 0.50 -1.12 -0.13 0.00 -0.94 0.00 0.00 39.48 37.80 1x3h n PHE 51 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x3h n SER 52 N 1.70 2.02 -4.26 4.37 2.88 -1.26 -4.86 113.62 114.21 1x3h n SER 52 Ca 0.25 0.28 -0.34 0.00 -1.33 0.00 0.00 58.87 57.73 1x3h n SER 52 Cb 0.37 -0.89 -0.15 0.00 -0.75 0.00 0.00 64.21 62.79 1x3h n SER 52 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1x3h s THR 53 N -2.49 2.90 0.00 2.46 -4.23 -1.26 -4.95 115.64 108.07 1x3h s THR 53 Ca -0.26 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1x3h s THR 53 Cb 0.07 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.63 1x3h s THR 53 CO 0.69 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.86 1x3h n GLY 54 N 4.51 0.73 3.58 3.99 0.00 -1.26 -5.06 105.19 111.68 1x3h n GLY 54 Ca -0.19 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.67 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 -4.00 -0.26 0.32 1.61 1.04 -1.26 -5.18 113.70 105.97 1x3h s SER 55 Ca 0.00 -0.10 0.07 0.00 0.48 0.00 0.00 55.95 56.40 1x3h s SER 55 Cb 0.00 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.45 1x3h s SER 55 CO 0.00 -0.60 0.33 0.72 0.98 0.00 0.00 173.24 174.68 1x3h s PHE 56 N -2.99 3.03 -0.08 5.02 -0.71 -1.26 -4.88 117.98 116.11 1x3h s PHE 56 Ca 0.08 -0.23 -0.00 0.00 -1.04 0.00 0.00 56.93 55.74 1x3h s PHE 56 Cb -0.01 -1.78 0.02 0.00 -1.21 0.00 0.00 43.02 40.05 1x3h s PHE 56 CO -0.05 0.19 -0.04 -0.06 -1.34 0.00 0.00 175.22 173.92 1x3h s PHE 57 N -2.22 0.96 -0.51 3.49 0.08 -1.25 -5.06 117.98 113.45 1x3h s PHE 57 Ca 0.40 -0.35 -0.25 0.00 0.12 0.00 0.00 56.93 56.85 1x3h s PHE 57 Cb -0.07 -0.90 0.03 0.00 -0.57 0.00 0.00 43.02 41.51 1x3h s PHE 57 CO 0.28 -0.34 0.94 -2.00 -0.10 0.00 0.00 175.22 174.00 1x3h s GLU 58 N 1.56 3.42 -0.30 0.44 2.12 -1.26 -2.97 118.70 121.71 1x3h s GLU 58 Ca -0.00 -0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.27 1x3h s GLU 58 Cb -0.13 -4.00 0.08 0.00 0.26 0.00 0.00 34.13 30.35 1x3h s GLU 58 CO -0.04 -1.38 0.02 -1.17 -0.54 0.00 0.00 175.26 172.14 1x3h s LEU 59 N 3.90 3.45 -0.82 2.70 0.20 -1.05 -4.74 118.68 122.32 1x3h s LEU 59 Ca 0.33 -1.69 -0.05 0.00 0.69 0.00 0.00 54.13 53.42 1x3h s LEU 59 Cb -0.11 -1.32 0.01 0.00 -0.43 0.00 0.00 46.19 44.33 1x3h s LEU 59 CO 0.22 -0.33 0.64 -0.67 -0.29 0.00 0.00 176.35 175.92 1x3h n ASP 60 N 4.52 -4.53 -2.65 3.68 2.03 -1.26 -2.82 116.55 115.52 1x3h n ASP 60 Ca -0.04 -0.29 -0.21 0.00 0.52 0.00 0.00 54.79 54.78 1x3h n ASP 60 Cb 0.43 -3.16 0.02 0.00 -0.72 0.00 0.00 41.12 37.68 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 -1.36 -0.45 2.98 0.27 0.00 -1.26 -4.99 105.19 100.38 1x3h n GLY 61 Ca -0.01 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -5.42 0.14 -0.12 1.61 0.52 -1.13 -5.13 118.95 109.42 1x3h s ARG 62 Ca 0.19 0.48 -0.29 0.00 -0.52 0.00 0.00 55.73 55.60 1x3h s ARG 62 Cb -0.09 -0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.19 1x3h s ARG 62 CO 0.24 -0.19 1.54 -1.25 0.02 0.00 0.00 175.30 175.67 1x3h s PRO 63 N 1.40 4.10 0.42 3.54 0.04 -1.26 -2.53 135.00 140.71 1x3h s PRO 63 Ca -0.07 1.92 0.03 0.00 0.04 0.00 0.00 61.00 62.92 1x3h s PRO 63 Cb -0.11 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 1x3h s PRO 63 CO -0.07 -0.92 0.07 -0.06 0.04 0.00 0.00 177.00 176.06 1x3h s PHE 64 N 4.17 1.90 -0.05 0.56 0.08 -1.16 -2.67 117.98 120.81 1x3h s PHE 64 Ca 0.68 -1.08 0.02 0.00 0.12 0.00 0.00 56.93 56.67 1x3h s PHE 64 Cb -0.28 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.78 1x3h s PHE 64 CO 0.25 -0.03 -0.10 0.00 -0.10 0.00 0.00 175.22 175.25 1x3h n GLU 66 N 2.16 -0.10 -0.17 0.00 2.13 -1.26 0.63 120.64 124.03 1x3h n GLU 66 Ca -0.17 0.60 -0.06 0.00 0.66 0.00 0.00 57.16 58.19 1x3h n GLU 66 Cb 0.53 -0.89 -0.05 0.00 0.27 0.00 0.00 31.44 31.30 1x3h n GLU 66 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1x3h h LEU 67 N 0.00 -1.00 0.04 4.31 5.85 -2.01 -0.90 115.31 121.61 1x3h h LEU 67 Ca 0.13 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1x3h h LEU 67 Cb 0.23 0.44 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1x3h h LEU 67 CO -0.39 -0.13 -0.02 0.45 -0.34 0.00 0.00 178.44 178.02 1x3h h HIS 68 N -0.04 -0.04 -0.61 1.25 3.86 -0.40 -3.17 115.15 115.99 1x3h h HIS 68 Ca 0.07 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.38 1x3h h HIS 68 Cb 0.21 0.01 -0.11 0.00 1.06 0.00 0.00 27.41 28.59 1x3h h HIS 68 CO -0.91 0.59 -0.20 0.98 0.86 0.00 0.00 177.93 179.24 1x3h n TYR 69 N -4.79 0.10 0.11 2.45 9.36 0.20 1.00 117.16 125.59 1x3h n TYR 69 Ca -0.09 0.75 -0.13 0.00 3.32 0.00 0.00 57.90 61.75 1x3h n TYR 69 Cb 0.32 -0.78 -0.08 0.00 -0.63 0.00 0.00 39.34 38.17 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 -0.23 -0.81 2.98 3.86 -1.26 0.96 115.15 120.65 1x3h h HIS 70 Ca 0.25 -0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.64 1x3h h HIS 70 Cb 0.40 0.08 -0.14 0.00 1.06 0.00 0.00 27.41 28.80 1x3h h HIS 70 CO -0.51 0.05 -0.01 1.25 0.86 0.00 0.00 177.93 179.56 1x3h h HIS 71 N -0.51 -0.09 -0.07 2.45 -0.00 0.67 -0.19 115.15 117.40 1x3h h HIS 71 Ca -0.03 0.06 -0.09 0.00 -0.00 0.00 0.00 60.37 60.31 1x3h h HIS 71 Cb 0.38 0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.97 1x3h h HIS 71 CO 0.01 -0.29 -0.32 0.00 -0.00 0.00 0.00 177.93 177.33 1x3h h ARG 72 N 0.08 0.34 -0.67 5.26 3.08 -0.93 -2.80 114.38 118.74 1x3h h ARG 72 Ca 0.44 -0.27 0.13 0.00 0.07 0.00 0.00 59.98 60.35 1x3h h ARG 72 Cb 0.80 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 30.78 1x3h h ARG 72 CO -0.73 0.91 -0.25 0.00 -1.07 0.00 0.00 179.97 178.83 1x3h h ARG 73 N -0.14 -0.07 -0.79 0.04 3.08 0.86 -3.39 114.38 113.97 1x3h h ARG 73 Ca -0.02 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1x3h h ARG 73 Cb 0.96 0.02 -0.20 0.00 0.08 0.00 0.00 29.97 30.83 1x3h h ARG 73 CO 0.07 -0.04 -0.31 0.20 -1.07 0.00 0.00 179.97 178.81 1x3h s GLY 74 N -3.44 -1.25 -0.28 0.04 0.00 -0.34 -5.04 107.32 97.02 1x3h s GLY 74 Ca -0.14 0.97 -0.13 0.00 0.00 0.00 0.00 44.72 45.42 1x3h s GLY 74 CO 0.72 3.82 -0.33 -1.26 0.00 0.00 0.00 173.10 176.05 1x3h n SER 75 N 4.84 1.96 0.00 1.64 2.88 -1.06 -4.77 113.62 119.11 1x3h n SER 75 Ca 0.08 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1x3h n SER 75 Cb 0.57 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1x3h n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3h n GLY 76 N 1.33 0.43 0.00 0.46 0.00 -1.26 -4.85 105.19 101.29 1x3h n GLY 76 Ca -0.54 -0.43 0.03 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 0.49 -1.60 1.61 -0.04 -1.26 -4.78 135.00 129.41 1x3h n PRO 77 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1x3h n PRO 77 Cb 0.00 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 1x3h n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x3h n SER 78 N -0.69 3.33 -4.09 3.54 2.88 -1.26 -4.91 113.62 112.42 1x3h n SER 78 Ca 0.04 0.27 -0.36 0.00 -1.33 0.00 0.00 58.87 57.50 1x3h n SER 78 Cb 0.02 -1.55 -0.08 0.00 -0.75 0.00 0.00 64.21 61.85 1x3h n SER 78 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x3h s SER 79 N 7.93 5.56 0.00 -3.46 0.15 -1.26 -5.03 113.70 117.59 1x3h s SER 79 Ca 1.00 -3.29 0.10 0.00 0.70 0.00 0.00 55.95 54.46 1x3h s SER 79 Cb -0.36 -1.87 0.08 0.00 -1.71 0.00 0.00 66.02 62.16 1x3h s SER 79 CO 0.36 -0.28 0.80 0.61 1.20 0.00 0.00 173.24 175.94