#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x65 s SER 2 N 0.00 -0.60 0.38 1.61 0.15 -1.26 -5.15 113.70 108.82 1x65 s SER 2 Ca 0.00 -1.42 0.07 0.00 0.70 0.00 0.00 55.95 55.30 1x65 s SER 2 Cb 0.00 1.41 -0.02 0.00 -1.71 0.00 0.00 66.02 65.70 1x65 s SER 2 CO 0.00 -0.16 0.39 -0.55 1.20 0.00 0.00 173.24 174.12 1x65 s SER 3 N 1.34 5.35 -0.49 5.45 0.15 -1.26 -5.10 113.70 119.14 1x65 s SER 3 Ca 0.21 -0.53 0.04 0.00 0.70 0.00 0.00 55.95 56.37 1x65 s SER 3 Cb -0.05 -0.82 0.17 0.00 -1.71 0.00 0.00 66.02 63.60 1x65 s SER 3 CO -0.06 -0.53 0.37 -0.83 1.20 0.00 0.00 173.24 173.39 1x65 s GLY 4 N -4.12 1.71 -0.28 9.45 0.00 -1.26 -5.04 107.32 107.79 1x65 s GLY 4 Ca 0.46 -2.83 -0.02 0.00 0.00 0.00 0.00 44.72 42.33 1x65 s GLY 4 CO 0.29 1.79 0.25 -0.45 0.00 0.00 0.00 173.10 174.97 1x65 s SER 5 N -0.31 2.03 -0.30 1.64 0.15 -1.26 -5.09 113.70 110.56 1x65 s SER 5 Ca 0.29 -0.79 -0.15 0.00 0.70 0.00 0.00 55.95 56.00 1x65 s SER 5 Cb -0.02 0.31 0.18 0.00 -1.71 0.00 0.00 66.02 64.77 1x65 s SER 5 CO -0.17 -0.39 1.13 -0.55 1.20 0.00 0.00 173.24 174.46 1x65 s SER 6 N 2.30 -0.28 -0.21 5.45 0.15 -1.26 -5.14 113.70 114.72 1x65 s SER 6 Ca 0.09 0.16 -0.29 0.00 0.70 0.00 0.00 55.95 56.61 1x65 s SER 6 Cb -0.15 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 1x65 s SER 6 CO -0.31 -0.05 1.14 -0.83 1.20 0.00 0.00 173.24 174.39 1x65 s GLY 7 N 2.97 1.67 -0.19 9.45 0.00 -1.26 -5.02 107.32 114.94 1x65 s GLY 7 Ca -0.02 0.29 -0.09 0.00 0.00 0.00 0.00 44.72 44.91 1x65 s GLY 7 CO -0.10 2.32 0.09 0.50 0.00 0.00 0.00 173.10 175.91 1x65 s ARG 8 N 3.35 4.05 0.14 2.90 0.52 -1.26 -3.60 118.95 125.05 1x65 s ARG 8 Ca 0.49 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 55.43 1x65 s ARG 8 Cb -0.18 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 1x65 s ARG 8 CO 0.10 0.26 0.19 -1.21 0.02 0.00 0.00 175.30 174.66 1x65 s GLU 9 N 0.44 3.14 -0.16 3.54 2.02 -0.33 -4.95 118.70 122.41 1x65 s GLU 9 Ca 0.05 -0.71 -0.13 0.00 0.02 0.00 0.00 54.97 54.20 1x65 s GLU 9 Cb -0.12 -2.81 0.04 0.00 0.10 0.00 0.00 34.13 31.35 1x65 s GLU 9 CO -0.00 0.52 0.40 -1.64 0.02 0.00 0.00 175.26 174.56 1x65 s MET 10 N -3.01 0.45 0.00 1.61 -1.94 -1.26 -2.03 119.30 113.12 1x65 s MET 10 Ca 0.32 0.62 0.00 0.00 -1.71 0.00 0.00 55.69 54.93 1x65 s MET 10 Cb -0.11 0.15 0.00 0.00 2.01 0.00 0.00 34.83 36.88 1x65 s MET 10 CO 0.25 -0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.59 1x65 n GLY 11 N 3.27 3.43 3.33 -0.03 0.00 -1.21 -4.48 105.19 109.49 1x65 n GLY 11 Ca -0.16 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 1x65 n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x65 s VAL 12 N -1.30 2.00 -0.15 1.61 -7.23 -0.30 -3.22 120.40 111.81 1x65 s VAL 12 Ca 0.00 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.36 1x65 s VAL 12 Cb 0.00 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 1x65 s VAL 12 CO 0.00 0.14 1.05 -0.63 -0.31 0.00 0.00 175.10 175.35 1x65 s ILE 13 N -0.98 4.67 -0.11 -0.62 -1.09 -1.26 0.86 121.20 122.67 1x65 s ILE 13 Ca 0.11 1.97 -0.14 0.00 -2.23 0.00 0.00 60.65 60.36 1x65 s ILE 13 Cb -0.10 -4.27 -0.26 0.00 -1.58 0.00 0.00 42.46 36.25 1x65 s ILE 13 CO 0.04 -0.07 0.48 0.00 -1.23 0.00 0.00 174.94 174.16 1x65 h ALA 14 N 7.32 0.25 -2.55 9.38 0.00 -1.15 -2.05 119.26 130.45 1x65 h ALA 14 Ca -0.27 -1.18 -0.11 0.00 0.00 0.00 0.00 54.91 53.35 1x65 h ALA 14 Cb 1.12 0.56 -0.13 0.00 0.00 0.00 0.00 17.79 19.33 1x65 h ALA 14 CO 0.91 0.95 -0.40 0.00 0.00 0.00 0.00 179.25 180.71 1x65 s ALA 15 N -2.49 0.07 -0.24 0.00 0.00 -1.25 -4.95 121.76 112.90 1x65 s ALA 15 Ca -0.21 -0.89 0.23 0.00 0.00 0.00 0.00 51.96 51.09 1x65 s ALA 15 Cb 0.05 0.71 0.50 0.00 0.00 0.00 0.00 23.12 24.38 1x65 s ALA 15 CO 0.76 -0.57 1.12 -1.33 0.00 0.00 0.00 175.76 175.74 1x65 n MET 16 N -0.13 1.61 -1.27 0.00 0.00 -1.26 -1.49 117.12 114.58 1x65 n MET 16 Ca -0.10 -3.39 -0.40 0.00 0.00 0.00 0.00 57.70 53.81 1x65 n MET 16 Cb 0.63 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.37 1x65 n MET 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1x65 n ARG 17 N -0.50 0.00 -1.66 0.03 5.12 0.34 -4.62 116.66 115.36 1x65 n ARG 17 Ca 0.08 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.84 1x65 n ARG 17 Cb 0.84 -0.99 -0.07 0.00 -1.16 0.00 0.00 32.46 31.08 1x65 n ARG 17 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1x65 s ASP 18 N -0.99 4.13 0.00 0.55 2.15 -1.26 -1.24 116.67 120.01 1x65 s ASP 18 Ca 0.58 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 53.47 1x65 s ASP 18 Cb -0.57 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.50 1x65 s ASP 18 CO 0.64 -3.67 0.00 0.61 -0.17 0.00 0.00 175.17 172.58 1x65 n GLY 19 N 6.82 1.18 3.83 2.66 0.00 -1.26 -5.10 105.19 113.31 1x65 n GLY 19 Ca 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.40 1x65 n GLY 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x65 s PHE 20 N -0.42 -0.11 0.00 1.61 -0.71 -0.37 -4.25 117.98 113.74 1x65 s PHE 20 Ca 0.00 -0.35 0.00 0.00 -1.04 0.00 0.00 56.93 55.54 1x65 s PHE 20 Cb 0.00 0.65 0.00 0.00 -1.21 0.00 0.00 43.02 42.46 1x65 s PHE 20 CO 0.00 -1.23 0.00 0.41 -1.34 0.00 0.00 175.22 173.06 1x65 n GLY 21 N -0.46 4.55 3.35 1.99 0.00 -1.19 -0.50 105.19 112.93 1x65 n GLY 21 Ca -0.04 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 1x65 n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x65 s PHE 22 N -1.24 -0.38 -0.22 1.61 0.08 -0.56 -3.84 117.98 113.44 1x65 s PHE 22 Ca 0.00 0.69 -0.02 0.00 0.12 0.00 0.00 56.93 57.72 1x65 s PHE 22 Cb 0.00 0.20 0.07 0.00 -0.57 0.00 0.00 43.02 42.72 1x65 s PHE 22 CO 0.00 -0.43 0.04 0.42 -0.10 0.00 0.00 175.22 175.15 1x65 s ILE 23 N -1.02 0.61 -0.20 0.64 1.01 -1.22 -0.49 121.20 120.52 1x65 s ILE 23 Ca -0.11 -0.72 -0.28 0.00 0.00 0.00 0.00 60.65 59.55 1x65 s ILE 23 Cb -0.03 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.28 1x65 s ILE 23 CO 0.05 -0.28 0.96 -0.75 0.00 0.00 0.00 174.94 174.92 1x65 s LYS 24 N 1.81 4.28 0.04 2.79 2.20 0.25 -1.74 119.74 129.37 1x65 s LYS 24 Ca 0.00 1.23 -0.13 0.00 -0.36 0.00 0.00 55.97 56.71 1x65 s LYS 24 Cb -0.17 -3.61 -0.06 0.00 -1.51 0.00 0.00 37.83 32.48 1x65 s LYS 24 CO -0.11 -0.50 0.43 0.00 -0.36 0.00 0.00 175.35 174.80 1x65 h VAL 26 N 3.33 1.29 0.10 0.00 2.07 -1.94 -3.27 116.25 117.83 1x65 h VAL 26 Ca -0.50 -1.29 -0.22 0.00 0.82 0.00 0.00 66.70 65.50 1x65 h VAL 26 Cb 1.21 1.38 0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1x65 h VAL 26 CO 0.63 0.42 -0.92 -0.78 0.02 0.00 0.00 177.57 176.95 1x65 h ASP 27 N 0.52 0.64 -3.60 0.57 1.82 -1.94 -3.44 116.42 110.99 1x65 h ASP 27 Ca 0.08 -0.85 -0.62 0.00 -0.39 0.00 0.00 57.03 55.25 1x65 h ASP 27 Cb 0.72 -0.20 -0.14 0.00 0.68 0.00 0.00 39.33 40.39 1x65 h ASP 27 CO 0.05 1.43 -0.39 -0.13 -1.61 0.00 0.00 179.24 178.58 1x65 s ARG 28 N -2.85 4.08 -0.10 0.28 0.52 -1.23 -4.97 118.95 114.69 1x65 s ARG 28 Ca -0.12 -0.11 -0.02 0.00 -0.52 0.00 0.00 55.73 54.96 1x65 s ARG 28 Cb 0.03 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 1x65 s ARG 28 CO 0.87 -0.02 2.43 -0.25 0.02 0.00 0.00 175.30 178.34 1x65 n ASP 29 N 4.51 5.64 -3.86 0.23 8.00 -1.26 -3.40 116.55 126.40 1x65 n ASP 29 Ca -0.12 -2.62 -0.12 0.00 0.71 0.00 0.00 54.79 52.64 1x65 n ASP 29 Cb 0.52 -1.19 -0.13 0.00 -0.02 0.00 0.00 41.12 40.30 1x65 n ASP 29 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1x65 s VAL 30 N -0.42 0.01 0.50 2.53 -7.23 -1.26 -5.04 120.40 109.50 1x65 s VAL 30 Ca 0.26 -0.12 -0.18 0.00 -1.81 0.00 0.00 61.98 60.14 1x65 s VAL 30 Cb 0.15 -0.13 -0.08 0.00 0.56 0.00 0.00 36.38 36.88 1x65 s VAL 30 CO -0.02 -0.06 0.99 -0.13 -0.31 0.00 0.00 175.10 175.56 1x65 s ARG 31 N -0.17 3.95 -0.53 4.82 0.52 -1.26 -3.91 118.95 122.36 1x65 s ARG 31 Ca -0.02 1.03 0.02 0.00 -0.52 0.00 0.00 55.73 56.23 1x65 s ARG 31 Cb -0.02 -2.13 0.13 0.00 0.52 0.00 0.00 34.95 33.45 1x65 s ARG 31 CO 0.00 -0.27 0.29 1.41 0.02 0.00 0.00 175.30 176.74 1x65 s MET 32 N -3.86 2.09 -0.00 3.54 -2.45 -0.71 -4.83 119.30 113.08 1x65 s MET 32 Ca 0.60 -2.49 -0.31 0.00 -1.25 0.00 0.00 55.69 52.24 1x65 s MET 32 Cb -0.10 -3.43 -0.10 0.00 1.25 0.00 0.00 34.83 32.44 1x65 s MET 32 CO 0.28 -1.11 1.95 1.97 1.05 0.00 0.00 175.02 179.15 1x65 n PHE 33 N 3.40 2.46 -4.24 4.11 -1.74 -1.26 -3.40 117.46 116.79 1x65 n PHE 33 Ca 0.05 -0.26 -0.25 0.00 -0.56 0.00 0.00 57.45 56.43 1x65 n PHE 33 Cb 0.35 -2.76 -0.08 0.00 1.52 0.00 0.00 39.48 38.51 1x65 n PHE 33 CO 0.00 0.00 0.00 -0.59 -0.56 0.00 0.00 176.76 175.61 1x65 s PHE 34 N 4.32 2.58 0.17 2.97 -0.71 -1.25 -4.71 117.98 121.35 1x65 s PHE 34 Ca 0.90 -0.61 0.08 0.00 -1.04 0.00 0.00 56.93 56.27 1x65 s PHE 34 Cb -0.52 -1.92 -0.04 0.00 -1.21 0.00 0.00 43.02 39.33 1x65 s PHE 34 CO 0.45 0.24 -0.07 -1.01 -1.34 0.00 0.00 175.22 173.49 1x65 s HIS 35 N -2.63 2.70 -0.06 3.49 3.76 -1.26 -3.18 115.29 118.11 1x65 s HIS 35 Ca 0.40 -0.19 -0.01 0.00 -0.15 0.00 0.00 55.06 55.10 1x65 s HIS 35 Cb 0.05 -1.33 -0.00 0.00 1.11 0.00 0.00 32.58 32.41 1x65 s HIS 35 CO 0.21 0.51 2.26 1.19 -0.85 0.00 0.00 174.74 178.06 1x65 n PHE 36 N 0.06 0.29 0.00 1.40 3.72 -1.26 -3.34 117.46 118.32 1x65 n PHE 36 Ca -0.11 -1.25 0.00 0.00 -0.05 0.00 0.00 57.45 56.04 1x65 n PHE 36 Cb 0.55 -0.75 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 1x65 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1x65 n SER 37 N 1.45 3.70 -0.00 4.37 7.64 -1.26 -4.68 113.62 124.83 1x65 n SER 37 Ca 0.12 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.14 1x65 n SER 37 Cb 0.57 0.48 0.52 0.00 -1.01 0.00 0.00 64.21 64.77 1x65 n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x65 n GLU 38 N -1.46 0.02 0.00 1.43 -0.58 -1.21 -3.45 120.64 115.38 1x65 n GLU 38 Ca 0.00 -0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.83 1x65 n GLU 38 Cb 0.26 -1.50 0.54 0.00 -0.57 0.00 0.00 31.44 30.17 1x65 n GLU 38 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1x65 n ILE 39 N -1.49 0.00 0.10 -3.67 5.41 -1.26 -0.82 119.36 117.62 1x65 n ILE 39 Ca 0.07 0.00 0.20 0.00 1.00 0.00 0.00 62.75 64.02 1x65 n ILE 39 Cb 0.34 -0.69 0.75 0.00 -0.71 0.00 0.00 39.64 39.32 1x65 n ILE 39 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1x65 h LEU 40 N 0.00 0.00 -1.79 1.39 8.10 -1.85 -0.29 115.31 120.87 1x65 h LEU 40 Ca 0.00 0.00 0.28 0.00 0.11 0.00 0.00 57.88 58.27 1x65 h LEU 40 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.16 1x65 h LEU 40 CO 0.00 0.00 0.70 0.44 -4.11 0.00 0.00 178.44 175.47 1x65 h ASP 41 N 0.00 0.15 0.00 0.17 5.19 -1.73 -3.46 116.42 116.74 1x65 h ASP 41 Ca 0.19 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1x65 h ASP 41 Cb 1.07 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1x65 h ASP 41 CO -0.00 0.04 0.00 0.61 -3.12 0.00 0.00 179.24 176.77 1x65 n GLY 42 N -1.65 0.36 0.00 2.75 0.00 -0.12 -5.03 105.19 101.51 1x65 n GLY 42 Ca 0.22 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1x65 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x65 n ASN 43 N 0.00 0.00 -4.57 1.61 3.02 -1.26 -4.77 115.26 109.29 1x65 n ASN 43 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.37 1x65 n ASN 43 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 1x65 n ASN 43 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1x65 s GLN 44 N 0.00 1.74 0.98 3.52 0.74 -1.26 -4.86 119.66 120.52 1x65 s GLN 44 Ca 0.00 -0.10 -0.15 0.00 0.05 0.00 0.00 55.36 55.16 1x65 s GLN 44 Cb 0.00 -4.94 0.00 0.00 1.10 0.00 0.00 33.01 29.17 1x65 s GLN 44 CO 0.00 -4.52 0.08 1.28 -0.55 0.00 0.00 175.29 171.57 1x65 n LEU 45 N 17.68 -1.64 -3.53 3.68 4.77 -1.26 -5.03 117.00 131.68 1x65 n LEU 45 Ca 0.44 0.24 -0.12 0.00 -0.03 0.00 0.00 56.01 56.55 1x65 n LEU 45 Cb 0.45 -1.08 -0.04 0.00 -2.33 0.00 0.00 43.42 40.43 1x65 n LEU 45 CO 0.58 -4.02 0.64 -1.00 -1.33 0.00 0.00 177.39 172.27 1x65 s HIS 46 N -2.29 -0.44 -0.51 -1.77 3.76 -1.26 -5.09 115.29 107.69 1x65 s HIS 46 Ca 0.53 0.58 -0.32 0.00 -0.15 0.00 0.00 55.06 55.70 1x65 s HIS 46 Cb -0.19 0.48 -0.16 0.00 1.11 0.00 0.00 32.58 33.82 1x65 s HIS 46 CO 0.70 -0.51 1.83 -0.89 -0.85 0.00 0.00 174.74 175.02 1x65 n ILE 47 N 0.37 0.00 -2.70 0.60 2.08 -1.26 -2.36 119.36 116.08 1x65 n ILE 47 Ca -0.12 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.15 1x65 n ILE 47 Cb 0.60 -0.40 0.00 0.00 -0.75 0.00 0.00 39.64 39.09 1x65 n ILE 47 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x65 n ALA 48 N 6.63 -3.23 -0.75 -1.39 0.00 -0.77 -4.87 120.51 116.13 1x65 n ALA 48 Ca 0.46 0.80 0.00 0.00 0.00 0.00 0.00 53.44 54.70 1x65 n ALA 48 Cb -0.02 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1x65 n ALA 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x65 n ASP 49 N 0.15 0.32 -2.07 0.00 9.92 -0.99 -4.88 116.55 119.00 1x65 n ASP 49 Ca 0.06 -1.07 0.00 0.00 -0.53 0.00 0.00 54.79 53.25 1x65 n ASP 49 Cb 0.22 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 1x65 n ASP 49 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1x65 n GLU 50 N -0.03 -5.11 -4.10 -1.24 1.02 -1.24 -4.23 120.64 105.72 1x65 n GLU 50 Ca 0.00 3.68 -0.12 0.00 -0.02 0.00 0.00 57.16 60.70 1x65 n GLU 50 Cb 0.25 -4.16 -0.11 0.00 -0.02 0.00 0.00 31.44 27.41 1x65 n GLU 50 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1x65 s VAL 51 N -0.51 0.59 -0.12 2.62 -7.23 -1.20 -0.43 120.40 114.13 1x65 s VAL 51 Ca 0.00 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1x65 s VAL 51 Cb 0.00 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 35.99 1x65 s VAL 51 CO 0.00 -0.54 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.36 1x65 s GLU 52 N -2.31 2.61 0.08 4.82 2.12 -1.04 -3.35 118.70 121.63 1x65 s GLU 52 Ca -0.03 -0.71 -0.04 0.00 0.36 0.00 0.00 54.97 54.55 1x65 s GLU 52 Cb -0.05 -2.12 -0.02 0.00 0.26 0.00 0.00 34.13 32.19 1x65 s GLU 52 CO -0.01 0.00 0.07 -0.59 -0.54 0.00 0.00 175.26 174.19 1x65 s PHE 53 N 0.79 0.40 -0.18 5.30 -0.12 -0.86 -3.17 117.98 120.14 1x65 s PHE 53 Ca -0.09 -0.88 -0.12 0.00 -0.05 0.00 0.00 56.93 55.78 1x65 s PHE 53 Cb -0.16 -0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 41.93 1x65 s PHE 53 CO 0.00 -0.47 0.23 0.99 -0.05 0.00 0.00 175.22 175.93 1x65 s THR 54 N -3.91 5.34 -0.38 -4.49 2.01 -1.25 -1.18 115.64 111.78 1x65 s THR 54 Ca 0.08 0.41 -0.01 0.00 0.31 0.00 0.00 61.69 62.47 1x65 s THR 54 Cb 0.07 -3.57 0.10 0.00 0.01 0.00 0.00 72.50 69.10 1x65 s THR 54 CO -0.09 0.40 0.15 -0.69 -0.69 0.00 0.00 174.62 173.70 1x65 s VAL 55 N 0.48 3.05 0.03 3.82 1.01 -1.24 -3.64 120.40 123.91 1x65 s VAL 55 Ca 0.13 -2.04 0.04 0.00 0.00 0.00 0.00 61.98 60.12 1x65 s VAL 55 Cb -0.12 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1x65 s VAL 55 CO 0.02 -0.60 -0.12 0.68 0.00 0.00 0.00 175.10 175.07 1x65 s VAL 56 N 1.11 0.94 -0.18 2.92 -7.23 -1.26 -4.85 120.40 111.84 1x65 s VAL 56 Ca 0.07 -0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 59.11 1x65 s VAL 56 Cb -0.22 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 1x65 s VAL 56 CO -0.05 0.02 1.59 -2.16 -0.31 0.00 0.00 175.10 174.19 1x65 s PRO 57 N -0.93 3.92 0.06 4.82 0.04 -1.26 -4.54 135.00 137.11 1x65 s PRO 57 Ca 0.01 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.78 1x65 s PRO 57 Cb -0.07 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 1x65 s PRO 57 CO 0.01 -1.15 0.26 -0.51 0.04 0.00 0.00 177.00 175.65 1x65 s ASP 58 N 3.82 6.41 -0.12 6.66 1.11 -1.26 -4.99 116.67 128.30 1x65 s ASP 58 Ca 0.70 0.40 0.00 0.00 0.18 0.00 0.00 52.55 53.83 1x65 s ASP 58 Cb -0.26 -2.02 0.11 0.00 1.07 0.00 0.00 42.92 41.82 1x65 s ASP 58 CO 0.28 0.17 1.69 0.23 1.18 0.00 0.00 175.17 178.71 1x65 n MET 59 N 0.46 1.32 -0.08 8.23 2.81 -1.26 -3.73 117.12 124.87 1x65 n MET 59 Ca -0.06 -0.67 -0.09 0.00 -1.81 0.00 0.00 57.70 55.08 1x65 n MET 59 Cb 0.52 -1.26 -0.13 0.00 -0.71 0.00 0.00 33.22 31.64 1x65 n MET 59 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1x65 n LEU 60 N 0.67 0.22 -4.25 4.03 -0.00 -1.26 -5.05 117.00 111.37 1x65 n LEU 60 Ca 0.13 -0.01 -0.17 0.00 -0.00 0.00 0.00 56.01 55.96 1x65 n LEU 60 Cb 0.62 0.32 -0.08 0.00 -0.00 0.00 0.00 43.42 44.28 1x65 n LEU 60 CO 0.15 0.45 -0.13 -0.44 -0.00 0.00 0.00 177.39 177.42 1x65 s SER 61 N -5.13 1.19 -1.19 1.45 0.01 -1.24 -5.04 113.70 103.74 1x65 s SER 61 Ca -0.10 -1.63 -0.12 0.00 1.31 0.00 0.00 55.95 55.41 1x65 s SER 61 Cb 0.05 0.51 -0.06 0.00 0.21 0.00 0.00 66.02 66.73 1x65 s SER 61 CO 0.67 -1.02 2.32 0.00 0.41 0.00 0.00 173.24 175.62 1x65 n ALA 62 N -0.52 5.34 -2.08 1.44 0.00 -1.26 -4.42 120.51 119.01 1x65 n ALA 62 Ca 0.06 -3.08 -0.03 0.00 0.00 0.00 0.00 53.44 50.39 1x65 n ALA 62 Cb 0.63 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.74 1x65 n ALA 62 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1x65 n GLN 63 N 5.05 -1.11 -3.68 0.00 7.27 -1.26 -5.04 117.38 118.60 1x65 n GLN 63 Ca 0.56 1.25 -0.28 0.00 0.07 0.00 0.00 57.00 58.60 1x65 n GLN 63 Cb 0.27 -3.26 -0.12 0.00 2.41 0.00 0.00 30.24 29.54 1x65 n GLN 63 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1x65 s ARG 64 N -1.56 1.55 0.24 3.69 6.06 -1.26 -5.08 118.95 122.60 1x65 s ARG 64 Ca 0.09 -2.45 -0.31 0.00 -2.50 0.00 0.00 55.73 50.56 1x65 s ARG 64 Cb -0.03 -2.43 -0.12 0.00 0.06 0.00 0.00 34.95 32.44 1x65 s ARG 64 CO 0.34 -1.26 1.68 0.27 -2.50 0.00 0.00 175.30 173.82 1x65 n ASN 65 N 2.86 3.97 -4.08 -2.12 6.94 -1.26 -4.72 115.26 116.85 1x65 n ASN 65 Ca 0.18 1.09 -0.18 0.00 -0.02 0.00 0.00 54.58 55.65 1x65 n ASN 65 Cb 0.38 -1.59 -0.13 0.00 -2.36 0.00 0.00 39.78 36.08 1x65 n ASN 65 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1x65 s HIS 66 N 0.71 0.96 -0.37 -2.53 -3.43 -1.26 -4.97 115.29 104.40 1x65 s HIS 66 Ca 0.71 -0.31 -0.24 0.00 -0.80 0.00 0.00 55.06 54.42 1x65 s HIS 66 Cb -0.50 -0.58 0.01 0.00 -1.43 0.00 0.00 32.58 30.08 1x65 s HIS 66 CO 0.39 -0.00 0.83 0.00 -2.00 0.00 0.00 174.74 173.96 1x65 s ALA 67 N -0.74 3.41 0.25 -1.38 0.00 -1.26 -4.45 121.76 117.60 1x65 s ALA 67 Ca -0.00 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.42 1x65 s ALA 67 Cb -0.07 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1x65 s ALA 67 CO 0.01 -1.55 0.36 0.96 0.00 0.00 0.00 175.76 175.54 1x65 s ILE 68 N 3.24 5.03 0.00 0.00 -4.36 -1.24 -4.78 121.20 119.09 1x65 s ILE 68 Ca 0.34 -1.03 0.00 0.00 -0.26 0.00 0.00 60.65 59.70 1x65 s ILE 68 Cb -0.13 -3.76 0.00 0.00 1.25 0.00 0.00 42.46 39.82 1x65 s ILE 68 CO 0.18 -0.31 0.00 0.54 0.24 0.00 0.00 174.94 175.59 1x65 n ARG 69 N -1.42 -0.21 -2.96 0.37 5.12 -1.26 -3.91 116.66 112.39 1x65 n ARG 69 Ca -0.08 0.58 -0.42 0.00 -1.93 0.00 0.00 57.85 56.01 1x65 n ARG 69 Cb 0.57 -0.73 -0.05 0.00 -1.16 0.00 0.00 32.46 31.09 1x65 n ARG 69 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1x65 s ILE 70 N -0.73 4.74 -0.26 0.55 1.01 -0.00 -4.58 121.20 121.93 1x65 s ILE 70 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 60.65 61.59 1x65 s ILE 70 Cb 0.00 -4.20 0.07 0.00 0.01 0.00 0.00 42.46 38.34 1x65 s ILE 70 CO 0.00 -0.40 -0.01 -0.75 0.00 0.00 0.00 174.94 173.78 1x65 s LYS 71 N 3.07 1.38 0.40 2.79 2.20 -1.19 -4.26 119.74 124.13 1x65 s LYS 71 Ca 0.31 -1.08 -0.24 0.00 -0.36 0.00 0.00 55.97 54.60 1x65 s LYS 71 Cb -0.13 -2.54 -0.12 0.00 -1.51 0.00 0.00 37.83 33.53 1x65 s LYS 71 CO 0.16 -0.71 0.81 1.17 -0.36 0.00 0.00 175.35 176.42 1x65 n LYS 72 N 4.67 0.98 -3.97 4.03 4.81 -1.26 -2.49 118.16 124.93 1x65 n LYS 72 Ca -0.08 0.35 -0.32 0.00 -0.87 0.00 0.00 58.31 57.39 1x65 n LYS 72 Cb 0.44 -1.78 -0.05 0.00 0.02 0.00 0.00 35.03 33.66 1x65 n LYS 72 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1x65 s LEU 73 N 0.54 4.19 1.00 3.14 1.43 0.43 -4.84 118.68 124.56 1x65 s LEU 73 Ca 0.63 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.84 1x65 s LEU 73 Cb -0.60 -2.62 0.19 0.00 0.03 0.00 0.00 46.19 43.19 1x65 s LEU 73 CO 0.57 0.23 1.09 -2.16 0.23 0.00 0.00 176.35 176.31 1x65 s PRO 74 N -2.12 0.46 0.32 1.29 0.04 -1.26 -4.76 135.00 128.98 1x65 s PRO 74 Ca 0.29 0.53 -0.28 0.00 0.04 0.00 0.00 61.00 61.58 1x65 s PRO 74 Cb -0.13 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 1x65 s PRO 74 CO 0.21 -2.72 1.22 0.21 0.04 0.00 0.00 177.00 175.96 1x65 s LYS 75 N -4.96 4.41 0.00 4.56 2.20 -1.26 -4.38 119.74 120.31 1x65 s LYS 75 Ca 0.65 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 1x65 s LYS 75 Cb -0.19 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1x65 s LYS 75 CO 0.58 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.90 1x65 n GLY 76 N 0.91 0.77 2.25 5.54 0.00 -1.26 -5.03 105.19 108.36 1x65 n GLY 76 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1x65 n GLY 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x65 n THR 77 N -0.44 0.00 -3.96 2.61 -1.04 -1.26 -5.14 114.28 105.05 1x65 n THR 77 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1x65 n THR 77 Cb 0.16 -0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.63 1x65 n THR 77 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1x65 s VAL 78 N -1.99 5.17 -0.05 12.58 1.01 -1.26 -5.10 120.40 130.76 1x65 s VAL 78 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 1x65 s VAL 78 Cb 0.00 -3.54 0.13 0.00 0.00 0.00 0.00 36.38 32.97 1x65 s VAL 78 CO 0.00 0.09 1.35 -0.44 0.00 0.00 0.00 175.10 176.11 1x65 s SER 79 N -2.61 -0.02 -0.05 3.32 0.01 -1.26 -5.08 113.70 108.01 1x65 s SER 79 Ca 0.34 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.50 1x65 s SER 79 Cb -0.12 0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 1x65 s SER 79 CO 0.27 -0.17 -0.05 0.49 0.41 0.00 0.00 173.24 174.18 1x65 n PHE 80 N -0.59 0.00 -3.29 2.43 3.01 -1.26 -4.97 117.46 112.78 1x65 n PHE 80 Ca -0.06 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.42 1x65 n PHE 80 Cb 0.62 -0.18 -0.04 0.00 -0.01 0.00 0.00 39.48 39.87 1x65 n PHE 80 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1x65 s HIS 81 N -2.09 -0.28 -0.21 1.38 2.46 -1.26 -5.07 115.29 110.21 1x65 s HIS 81 Ca -0.07 0.50 -0.00 0.00 0.47 0.00 0.00 55.06 55.96 1x65 s HIS 81 Cb 0.02 0.17 0.00 0.00 -0.13 0.00 0.00 32.58 32.64 1x65 s HIS 81 CO 0.10 -0.14 0.01 0.45 -2.47 0.00 0.00 174.74 172.68 1x65 n SER 82 N 4.57 -7.42 -4.49 9.88 2.88 -1.26 -4.93 113.62 112.86 1x65 n SER 82 Ca -0.08 1.13 -0.30 0.00 -1.33 0.00 0.00 58.87 58.28 1x65 n SER 82 Cb 0.55 -4.20 0.20 0.00 -0.75 0.00 0.00 64.21 60.01 1x65 n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x65 n HIS 83 N 0.93 -0.72 -3.27 0.66 1.44 -1.26 -5.03 115.22 107.97 1x65 n HIS 83 Ca -0.01 0.10 -0.06 0.00 -2.01 0.00 0.00 57.72 55.74 1x65 n HIS 83 Cb 0.17 -1.77 -0.04 0.00 0.12 0.00 0.00 29.99 28.46 1x65 n HIS 83 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1x65 s SER 84 N -2.32 -0.29 0.07 4.39 0.01 -1.26 -5.06 113.70 109.25 1x65 s SER 84 Ca 0.64 -0.78 -0.14 0.00 1.31 0.00 0.00 55.95 56.98 1x65 s SER 84 Cb -0.22 1.36 -0.03 0.00 0.21 0.00 0.00 66.02 67.34 1x65 s SER 84 CO 0.64 -0.26 1.12 0.61 0.41 0.00 0.00 173.24 175.75 1x65 n GLY 85 N 4.74 -2.47 3.77 3.44 0.00 -1.26 -4.50 105.19 108.91 1x65 n GLY 85 Ca 0.08 0.79 -0.32 0.00 0.00 0.00 0.00 46.02 46.57 1x65 n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x65 s PRO 86 N -4.30 2.46 -0.34 1.61 0.04 -1.26 -5.05 135.00 128.16 1x65 s PRO 86 Ca -0.06 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1x65 s PRO 86 Cb 0.05 -1.92 0.19 0.00 0.04 0.00 0.00 34.50 32.86 1x65 s PRO 86 CO 0.29 -1.49 0.79 -1.54 0.04 0.00 0.00 177.00 175.08 1x65 s SER 87 N -3.08 -1.08 0.37 6.66 1.04 -1.26 -5.15 113.70 111.21 1x65 s SER 87 Ca 0.63 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1x65 s SER 87 Cb -0.18 1.49 0.00 0.00 0.10 0.00 0.00 66.02 67.42 1x65 s SER 87 CO 0.50 -0.15 0.00 -1.20 0.98 0.00 0.00 173.24 173.37 1x65 n SER 88 N 4.58 -6.24 0.00 7.02 7.64 -1.26 -5.28 113.62 120.09 1x65 n SER 88 Ca 0.08 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1x65 n SER 88 Cb 0.58 -3.88 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64