#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 0.95 -0.18 1.61 0.15 -1.26 -5.16 113.70 109.81 1x65 s SER 2 Ca 0.00 -0.68 -0.28 0.00 0.70 0.00 0.00 55.95 55.69 1x65 s SER 2 Cb 0.00 0.05 0.09 0.00 -1.71 0.00 0.00 66.02 64.45 1x65 s SER 2 CO 0.00 -0.28 0.82 -0.55 1.20 0.00 0.00 173.24 174.43 1x65 s SER 3 N -2.00 -0.59 -0.39 5.45 0.15 -1.26 -5.10 113.70 109.96 1x65 s SER 3 Ca -0.04 0.90 0.09 0.00 0.70 0.00 0.00 55.95 57.61 1x65 s SER 3 Cb -0.06 0.83 0.28 0.00 -1.71 0.00 0.00 66.02 65.37 1x65 s SER 3 CO -0.01 -0.37 0.62 0.61 1.20 0.00 0.00 173.24 175.29 1x65 n GLY 4 N 1.64 2.92 3.37 9.45 0.00 -1.26 -5.09 105.19 116.22 1x65 n GLY 4 Ca -0.15 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 1x65 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x65 s SER 5 N -1.61 4.97 -0.73 1.61 0.01 -1.26 -5.05 113.70 111.64 1x65 s SER 5 Ca 0.36 -0.51 -0.20 0.00 1.31 0.00 0.00 55.95 56.92 1x65 s SER 5 Cb 0.23 -1.87 0.11 0.00 0.21 0.00 0.00 66.02 64.71 1x65 s SER 5 CO -0.11 -0.11 0.91 -0.44 0.41 0.00 0.00 173.24 173.90 1x65 s SER 6 N 1.53 6.34 0.00 2.44 0.01 -1.26 -4.74 113.70 118.02 1x65 s SER 6 Ca 0.04 -1.55 0.00 0.00 1.31 0.00 0.00 55.95 55.75 1x65 s SER 6 Cb -0.16 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1x65 s SER 6 CO 0.02 -1.17 0.00 0.61 0.41 0.00 0.00 173.24 173.11 1x65 n GLY 7 N 5.27 -1.44 3.33 3.44 0.00 -1.26 -5.14 105.19 109.39 1x65 n GLY 7 Ca 0.03 0.68 -0.34 0.00 0.00 0.00 0.00 46.02 46.40 1x65 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x65 s ARG 8 N 0.00 3.37 0.25 1.61 0.52 -1.26 -3.73 118.95 119.71 1x65 s ARG 8 Ca 0.00 -0.65 0.05 0.00 -0.52 0.00 0.00 55.73 54.61 1x65 s ARG 8 Cb 0.00 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 1x65 s ARG 8 CO 0.00 -0.04 0.37 -1.21 0.02 0.00 0.00 175.30 174.44 1x65 s GLU 9 N 1.04 3.36 -0.01 3.54 0.41 -0.02 -4.92 118.70 122.10 1x65 s GLU 9 Ca -0.00 -0.81 -0.01 0.00 -0.41 0.00 0.00 54.97 53.74 1x65 s GLU 9 Cb -0.15 -2.86 0.01 0.00 -1.78 0.00 0.00 34.13 29.35 1x65 s GLU 9 CO -0.01 0.37 0.02 -1.64 -0.49 0.00 0.00 175.26 173.52 1x65 s MET 10 N -4.00 0.01 0.00 1.61 -1.94 -1.26 -2.07 119.30 111.65 1x65 s MET 10 Ca 0.36 0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.41 1x65 s MET 10 Cb -0.09 -0.05 0.00 0.00 2.01 0.00 0.00 34.83 36.70 1x65 s MET 10 CO 0.29 -0.04 0.00 0.41 -0.01 0.00 0.00 175.02 175.67 1x65 n GLY 11 N 3.35 3.59 3.26 -0.03 0.00 -1.14 -4.39 105.19 109.84 1x65 n GLY 11 Ca -0.16 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.99 1.64 -0.74 1.61 -7.23 -1.19 -2.68 120.40 109.82 1x65 s VAL 12 Ca 0.00 -1.40 -0.23 0.00 -1.81 0.00 0.00 61.98 58.53 1x65 s VAL 12 Cb 0.00 -1.47 0.06 0.00 0.56 0.00 0.00 36.38 35.53 1x65 s VAL 12 CO 0.00 0.01 1.11 -0.63 -0.31 0.00 0.00 175.10 175.29 1x65 s ILE 13 N -1.04 4.16 0.13 -0.62 -1.09 -1.21 -0.62 121.20 120.91 1x65 s ILE 13 Ca 0.06 -0.30 0.18 0.00 -2.23 0.00 0.00 60.65 58.36 1x65 s ILE 13 Cb -0.10 -4.79 0.12 0.00 -1.58 0.00 0.00 42.46 36.12 1x65 s ILE 13 CO 0.03 -1.62 1.70 0.00 -1.23 0.00 0.00 174.94 173.82 1x65 h ALA 14 N 9.64 0.95 -2.34 9.38 0.00 -1.83 -0.59 119.26 134.47 1x65 h ALA 14 Ca -0.20 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1x65 h ALA 14 Cb 1.05 -0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.58 1x65 h ALA 14 CO 1.22 0.49 -0.07 0.00 0.00 0.00 0.00 179.25 180.89 1x65 s ALA 15 N -3.53 -1.26 -0.50 0.00 0.00 -1.24 -4.87 121.76 110.36 1x65 s ALA 15 Ca 0.01 1.01 0.07 0.00 0.00 0.00 0.00 51.96 53.04 1x65 s ALA 15 Cb 0.11 -0.25 0.19 0.00 0.00 0.00 0.00 23.12 23.17 1x65 s ALA 15 CO 0.69 -0.29 0.68 0.00 0.00 0.00 0.00 175.76 176.85 1x65 n MET 16 N 1.65 0.51 -0.23 0.00 3.85 -1.26 0.14 117.12 121.78 1x65 n MET 16 Ca -0.18 -2.20 -0.07 0.00 -1.00 0.00 0.00 57.70 54.25 1x65 n MET 16 Cb 0.56 -1.50 0.06 0.00 -1.05 0.00 0.00 33.22 31.30 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 2.81 -1.54 -2.50 3.17 5.12 0.99 -4.87 116.66 119.84 1x65 n ARG 17 Ca 0.19 -0.40 -0.39 0.00 -1.93 0.00 0.00 57.85 55.32 1x65 n ARG 17 Cb 0.55 -0.38 -0.03 0.00 -1.16 0.00 0.00 32.46 31.45 1x65 n ARG 17 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1x65 s ASP 18 N -2.19 6.35 0.00 0.55 -4.77 -1.26 -3.59 116.67 111.77 1x65 s ASP 18 Ca 0.16 -1.44 0.00 0.00 -3.30 0.00 0.00 52.55 47.97 1x65 s ASP 18 Cb -0.02 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 1x65 s ASP 18 CO 0.12 -1.65 0.00 0.61 0.70 0.00 0.00 175.17 174.96 1x65 n GLY 19 N 6.75 3.89 2.06 2.12 0.00 -1.26 -5.09 105.19 113.65 1x65 n GLY 19 Ca 0.35 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1x65 n GLY 19 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1x65 n PHE 20 N 0.00 -0.34 -0.85 1.61 -1.74 -1.24 -2.42 117.46 112.49 1x65 n PHE 20 Ca 0.00 -1.75 0.00 0.00 -0.56 0.00 0.00 57.45 55.14 1x65 n PHE 20 Cb 0.00 0.13 0.00 0.00 1.52 0.00 0.00 39.48 41.13 1x65 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1x65 n GLY 21 N -0.20 3.02 3.49 4.97 0.00 -1.23 -0.00 105.19 115.24 1x65 n GLY 21 Ca 0.03 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.66 -0.62 -0.16 1.61 0.08 0.38 -4.32 117.98 114.28 1x65 s PHE 22 Ca 0.00 0.94 -0.02 0.00 0.12 0.00 0.00 56.93 57.96 1x65 s PHE 22 Cb 0.00 0.43 0.05 0.00 -0.57 0.00 0.00 43.02 42.94 1x65 s PHE 22 CO 0.00 -0.66 0.02 0.42 -0.10 0.00 0.00 175.22 174.90 1x65 s ILE 23 N -1.75 0.56 -0.27 0.64 1.01 -0.95 -2.67 121.20 117.77 1x65 s ILE 23 Ca -0.08 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 1x65 s ILE 23 Cb -0.00 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 1x65 s ILE 23 CO 0.05 -0.07 1.39 -0.75 0.00 0.00 0.00 174.94 175.55 1x65 s LYS 24 N 1.86 3.90 -0.03 2.79 2.20 0.21 -1.43 119.74 129.23 1x65 s LYS 24 Ca 0.00 1.38 -0.30 0.00 -0.36 0.00 0.00 55.97 56.69 1x65 s LYS 24 Cb -0.16 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.21 1x65 s LYS 24 CO -0.07 -1.15 1.18 0.00 -0.36 0.00 0.00 175.35 174.94 1x65 h VAL 26 N 4.88 1.14 0.03 0.00 -1.51 -1.94 -3.21 116.25 115.64 1x65 h VAL 26 Ca -0.36 -0.52 -0.38 0.00 -1.23 0.00 0.00 66.70 64.20 1x65 h VAL 26 Cb 1.18 0.97 -0.05 0.00 -2.13 0.00 0.00 31.29 31.25 1x65 h VAL 26 CO 0.85 0.18 -2.21 0.47 -1.23 0.00 0.00 177.57 175.63 1x65 n ASP 27 N -4.36 1.99 -4.86 4.19 8.00 -1.26 -4.96 116.55 115.29 1x65 n ASP 27 Ca 0.00 0.15 -0.32 0.00 0.71 0.00 0.00 54.79 55.33 1x65 n ASP 27 Cb 0.19 -0.70 -0.05 0.00 -0.02 0.00 0.00 41.12 40.54 1x65 n ASP 27 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1x65 s ARG 28 N -2.50 3.92 -0.46 -1.24 0.52 -1.21 -4.99 118.95 112.99 1x65 s ARG 28 Ca -0.32 0.60 0.04 0.00 -0.52 0.00 0.00 55.73 55.53 1x65 s ARG 28 Cb 0.10 -2.41 0.61 0.00 0.52 0.00 0.00 34.95 33.77 1x65 s ARG 28 CO 0.61 0.07 1.87 -3.47 0.02 0.00 0.00 175.30 174.40 1x65 n ASP 29 N -0.75 4.22 -3.70 0.23 2.03 -1.26 -3.96 116.55 113.35 1x65 n ASP 29 Ca 0.03 -3.67 -0.18 0.00 0.52 0.00 0.00 54.79 51.50 1x65 n ASP 29 Cb 0.53 -0.83 -0.17 0.00 -0.72 0.00 0.00 41.12 39.94 1x65 n ASP 29 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1x65 s VAL 30 N -3.55 -0.11 0.88 5.18 -7.23 -1.26 -5.04 120.40 109.26 1x65 s VAL 30 Ca 0.57 0.34 -0.10 0.00 -1.81 0.00 0.00 61.98 60.97 1x65 s VAL 30 Cb 0.47 -0.16 0.12 0.00 0.56 0.00 0.00 36.38 37.38 1x65 s VAL 30 CO 0.08 0.14 1.14 -0.13 -0.31 0.00 0.00 175.10 176.01 1x65 s ARG 31 N 1.81 1.34 -0.11 4.82 0.52 -1.26 -4.28 118.95 121.78 1x65 s ARG 31 Ca -0.00 1.47 -0.01 0.00 -0.52 0.00 0.00 55.73 56.67 1x65 s ARG 31 Cb -0.12 -1.77 -0.02 0.00 0.52 0.00 0.00 34.95 33.55 1x65 s ARG 31 CO -0.04 -2.38 -0.08 1.41 0.02 0.00 0.00 175.30 174.23 1x65 s MET 32 N -4.68 3.24 -0.54 3.54 -2.45 -0.51 -4.82 119.30 113.07 1x65 s MET 32 Ca 0.66 -0.59 -0.23 0.00 -1.25 0.00 0.00 55.69 54.28 1x65 s MET 32 Cb -0.22 -2.70 0.04 0.00 1.25 0.00 0.00 34.83 33.21 1x65 s MET 32 CO 0.57 0.38 0.89 0.12 1.05 0.00 0.00 175.02 178.03 1x65 s PHE 33 N -0.06 2.83 0.25 4.11 2.19 -1.26 -2.24 117.98 123.80 1x65 s PHE 33 Ca -0.00 -0.11 0.07 0.00 0.33 0.00 0.00 56.93 57.22 1x65 s PHE 33 Cb -0.13 -3.99 -0.04 0.00 -1.31 0.00 0.00 43.02 37.55 1x65 s PHE 33 CO 0.03 -1.30 0.17 -0.59 1.83 0.00 0.00 175.22 175.36 1x65 s PHE 34 N 3.73 3.07 0.17 10.12 -0.12 -1.26 -4.55 117.98 129.14 1x65 s PHE 34 Ca 0.28 -0.12 0.07 0.00 -0.05 0.00 0.00 56.93 57.10 1x65 s PHE 34 Cb -0.14 -1.38 -0.04 0.00 -0.63 0.00 0.00 43.02 40.83 1x65 s PHE 34 CO 0.18 0.53 0.04 -1.01 -0.05 0.00 0.00 175.22 174.91 1x65 s HIS 35 N -2.14 2.93 -0.10 3.49 3.76 -1.26 -3.48 115.29 118.51 1x65 s HIS 35 Ca 0.33 -0.10 -0.00 0.00 -0.15 0.00 0.00 55.06 55.13 1x65 s HIS 35 Cb -0.08 -1.42 0.07 0.00 1.11 0.00 0.00 32.58 32.26 1x65 s HIS 35 CO 0.24 0.52 1.97 1.19 -0.85 0.00 0.00 174.74 177.81 1x65 n PHE 36 N -0.15 0.46 0.00 1.40 3.01 -1.02 -3.45 117.46 117.71 1x65 n PHE 36 Ca -0.09 -1.27 0.00 0.00 1.01 0.00 0.00 57.45 57.10 1x65 n PHE 36 Cb 0.55 -0.63 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 1x65 n PHE 36 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1x65 n SER 37 N 1.12 4.13 0.02 4.37 2.88 -1.26 -4.67 113.62 120.21 1x65 n SER 37 Ca 0.09 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.77 1x65 n SER 37 Cb 0.53 0.35 0.54 0.00 -0.75 0.00 0.00 64.21 64.88 1x65 n SER 37 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x65 n GLU 38 N -1.89 0.06 0.00 -1.46 -0.58 -1.22 -3.33 120.64 112.22 1x65 n GLU 38 Ca 0.00 0.05 0.08 0.00 -0.42 0.00 0.00 57.16 56.87 1x65 n GLU 38 Cb 0.43 -1.57 0.49 0.00 -0.57 0.00 0.00 31.44 30.22 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 -1.68 0.00 0.13 -3.67 5.41 -1.26 0.22 119.36 118.52 1x65 n ILE 39 Ca 0.07 0.00 0.19 0.00 1.00 0.00 0.00 62.75 64.01 1x65 n ILE 39 Cb 0.36 -0.72 0.75 0.00 -0.71 0.00 0.00 39.64 39.33 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 -1.43 1.39 8.10 -1.79 -1.14 115.31 120.44 1x65 h LEU 40 Ca 0.00 0.00 0.22 0.00 0.11 0.00 0.00 57.88 58.21 1x65 h LEU 40 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1x65 h LEU 40 CO 0.00 0.00 0.89 0.44 -4.11 0.00 0.00 178.44 175.66 1x65 h ASP 41 N 0.00 0.00 0.00 0.17 5.19 -1.71 -3.45 116.42 116.63 1x65 h ASP 41 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1x65 h ASP 41 Cb 1.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1x65 h ASP 41 CO -0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1x65 n GLY 42 N -1.61 -0.06 0.00 2.75 0.00 -0.43 -4.98 105.19 100.86 1x65 n GLY 42 Ca 0.16 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.56 1.61 3.02 -1.26 -4.71 115.26 109.36 1x65 n ASN 43 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 1x65 n ASN 43 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1x65 n ASN 43 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x65 s GLN 44 N 0.00 3.31 1.10 3.52 -0.21 -1.26 -4.80 119.66 121.33 1x65 s GLN 44 Ca 0.00 -0.94 -0.16 0.00 0.02 0.00 0.00 55.36 54.29 1x65 s GLN 44 Cb 0.00 -5.29 0.15 0.00 1.00 0.00 0.00 33.01 28.87 1x65 s GLN 44 CO 0.00 -2.55 0.41 1.28 -2.12 0.00 0.00 175.29 172.31 1x65 n LEU 45 N 10.31 -1.44 0.00 2.90 4.77 -1.26 -5.03 117.00 127.25 1x65 n LEU 45 Ca 0.36 -0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 56.29 1x65 n LEU 45 Cb 0.50 -1.11 0.01 0.00 -2.33 0.00 0.00 43.42 40.48 1x65 n LEU 45 CO 0.65 -3.18 0.21 1.41 -1.33 0.00 0.00 177.39 175.14 1x65 n HIS 46 N -4.45 -0.86 -1.87 -1.77 8.25 -1.26 -5.08 115.22 108.18 1x65 n HIS 46 Ca 0.03 -0.36 -0.43 0.00 -0.26 0.00 0.00 57.72 56.70 1x65 n HIS 46 Cb 0.58 0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.84 1x65 n HIS 46 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1x65 s ILE 47 N -2.48 3.35 -0.52 1.59 -1.09 -1.26 -3.01 121.20 117.77 1x65 s ILE 47 Ca 0.06 0.39 -0.02 0.00 -2.23 0.00 0.00 60.65 58.85 1x65 s ILE 47 Cb -0.01 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 1x65 s ILE 47 CO 0.02 -0.14 0.45 0.00 -1.23 0.00 0.00 174.94 174.04 1x65 n ALA 48 N 8.99 -1.37 -4.05 9.38 0.00 -0.23 -4.98 120.51 128.25 1x65 n ALA 48 Ca 0.22 0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 1x65 n ALA 48 Cb 0.44 -2.77 -0.16 0.00 0.00 0.00 0.00 19.45 16.95 1x65 n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x65 s ASP 49 N -3.27 2.87 0.51 0.00 1.11 -1.17 -4.84 116.67 111.89 1x65 s ASP 49 Ca 0.18 -0.57 -0.22 0.00 0.18 0.00 0.00 52.55 52.13 1x65 s ASP 49 Cb -0.02 -1.28 -0.07 0.00 1.07 0.00 0.00 42.92 42.62 1x65 s ASP 49 CO 0.35 -0.04 1.17 -0.62 1.18 0.00 0.00 175.17 177.21 1x65 n GLU 50 N 4.72 1.48 -3.68 8.23 1.02 -1.26 -3.29 120.64 127.86 1x65 n GLU 50 Ca -0.18 0.54 -0.13 0.00 -0.02 0.00 0.00 57.16 57.37 1x65 n GLU 50 Cb 0.50 -2.32 -0.07 0.00 -0.02 0.00 0.00 31.44 29.53 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 -1.32 0.06 -0.11 2.62 -7.23 -1.09 -1.03 120.40 112.29 1x65 s VAL 51 Ca 0.69 -0.47 -0.00 0.00 -1.81 0.00 0.00 61.98 60.38 1x65 s VAL 51 Cb -0.46 -0.93 0.02 0.00 0.56 0.00 0.00 36.38 35.57 1x65 s VAL 51 CO 0.52 -0.26 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.28 1x65 s GLU 52 N -2.39 1.52 0.10 4.82 2.12 -1.17 -2.87 118.70 120.83 1x65 s GLU 52 Ca -0.06 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1x65 s GLU 52 Cb -0.01 -1.59 -0.04 0.00 0.26 0.00 0.00 34.13 32.75 1x65 s GLU 52 CO -0.02 -0.27 -0.02 -0.59 -0.54 0.00 0.00 175.26 173.82 1x65 s PHE 53 N 1.71 0.78 -0.67 5.30 -0.71 -0.88 -3.64 117.98 119.88 1x65 s PHE 53 Ca 0.05 -1.05 -0.16 0.00 -1.04 0.00 0.00 56.93 54.73 1x65 s PHE 53 Cb -0.13 -0.48 0.15 0.00 -1.21 0.00 0.00 43.02 41.36 1x65 s PHE 53 CO -0.08 -0.32 0.66 0.99 -1.34 0.00 0.00 175.22 175.13 1x65 s THR 54 N -3.83 5.24 0.01 -4.49 2.01 -1.26 -0.84 115.64 112.49 1x65 s THR 54 Ca 0.14 -1.73 -0.30 0.00 0.31 0.00 0.00 61.69 60.10 1x65 s THR 54 Cb 0.07 -4.44 -0.06 0.00 0.01 0.00 0.00 72.50 68.08 1x65 s THR 54 CO -0.04 -1.01 1.54 -0.69 -0.69 0.00 0.00 174.62 173.73 1x65 s VAL 55 N 1.39 3.47 -0.12 3.82 1.01 -1.24 -4.27 120.40 124.45 1x65 s VAL 55 Ca 0.11 0.81 -0.20 0.00 0.00 0.00 0.00 61.98 62.70 1x65 s VAL 55 Cb -0.21 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.70 1x65 s VAL 55 CO -0.01 -0.02 0.51 0.68 0.00 0.00 0.00 175.10 176.26 1x65 s VAL 56 N 2.87 0.01 0.82 2.92 -7.23 -1.23 -4.98 120.40 113.58 1x65 s VAL 56 Ca 0.69 -0.11 -0.11 0.00 -1.81 0.00 0.00 61.98 60.64 1x65 s VAL 56 Cb -0.34 -0.76 0.09 0.00 0.56 0.00 0.00 36.38 35.93 1x65 s VAL 56 CO 0.29 -0.06 1.09 -2.16 -0.31 0.00 0.00 175.10 173.95 1x65 s PRO 57 N -0.39 1.85 1.13 4.82 0.04 -1.26 -2.96 135.00 138.23 1x65 s PRO 57 Ca -0.05 1.03 -0.18 0.00 0.04 0.00 0.00 61.00 61.84 1x65 s PRO 57 Cb -0.03 -1.86 0.14 0.00 0.04 0.00 0.00 34.50 32.78 1x65 s PRO 57 CO 0.03 -1.89 0.17 -3.47 0.04 0.00 0.00 177.00 171.88 1x65 n ASP 58 N -3.67 -2.28 0.01 6.66 2.03 -1.14 -4.87 116.55 113.28 1x65 n ASP 58 Ca 0.08 -0.13 -0.18 0.00 0.52 0.00 0.00 54.79 55.08 1x65 n ASP 58 Cb 0.54 -1.00 -0.08 0.00 -0.72 0.00 0.00 41.12 39.85 1x65 n ASP 58 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1x65 h MET 59 N -2.17 0.75 -0.96 -0.67 2.86 -1.94 -3.14 114.93 109.64 1x65 h MET 59 Ca -0.55 -0.69 -0.13 0.00 -2.06 0.00 0.00 59.70 56.26 1x65 h MET 59 Cb 1.36 0.17 -0.08 0.00 0.06 0.00 0.00 31.60 33.11 1x65 h MET 59 CO 0.40 1.28 0.17 1.28 1.06 0.00 0.00 176.91 181.10 1x65 n LEU 60 N -3.90 3.88 -4.36 1.22 4.77 -1.26 -4.85 117.00 112.51 1x65 n LEU 60 Ca -0.09 -2.01 -0.36 0.00 -0.03 0.00 0.00 56.01 53.53 1x65 n LEU 60 Cb 0.81 -0.60 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1x65 n LEU 60 CO 0.54 0.61 -0.28 -1.54 -1.33 0.00 0.00 177.39 175.39 1x65 n SER 61 N 0.00 -0.73 -2.07 -1.43 3.41 -1.19 -4.80 113.62 106.82 1x65 n SER 61 Ca 0.18 -1.21 -0.18 0.00 -0.26 0.00 0.00 58.87 57.41 1x65 n SER 61 Cb 0.83 -1.88 0.20 0.00 -0.26 0.00 0.00 64.21 63.09 1x65 n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x65 n ALA 62 N -4.35 5.10 -3.28 7.33 0.00 -1.26 -4.96 120.51 119.09 1x65 n ALA 62 Ca -0.11 -2.52 -0.28 0.00 0.00 0.00 0.00 53.44 50.53 1x65 n ALA 62 Cb 0.58 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.76 -2.07 -3.12 0.00 7.27 -1.26 -4.91 117.38 112.53 1x65 n GLN 63 Ca 0.50 1.66 -0.19 0.00 0.07 0.00 0.00 57.00 59.04 1x65 n GLN 63 Cb 1.51 -3.24 -0.05 0.00 2.41 0.00 0.00 30.24 30.87 1x65 n GLN 63 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1x65 n ARG 64 N -0.19 0.49 -2.08 3.69 3.00 -1.26 -4.89 116.66 115.43 1x65 n ARG 64 Ca -0.02 -2.77 -0.42 0.00 -0.00 0.00 0.00 57.85 54.64 1x65 n ARG 64 Cb 0.60 -1.47 -0.03 0.00 0.00 0.00 0.00 32.46 31.57 1x65 n ARG 64 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1x65 s ASN 65 N -0.43 6.73 0.27 6.15 0.01 -1.26 -2.90 114.94 123.51 1x65 s ASN 65 Ca 0.33 2.30 0.01 0.00 -0.71 0.00 0.00 52.86 54.80 1x65 s ASN 65 Cb 0.10 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.15 1x65 s ASN 65 CO -0.15 -0.80 0.10 -1.38 -1.51 0.00 0.00 177.10 173.36 1x65 s HIS 66 N 2.47 1.55 -0.18 2.20 -3.43 -1.15 -4.75 115.29 111.99 1x65 s HIS 66 Ca 0.69 -1.20 -0.00 0.00 -0.80 0.00 0.00 55.06 53.74 1x65 s HIS 66 Cb -0.36 -0.90 0.01 0.00 -1.43 0.00 0.00 32.58 29.91 1x65 s HIS 66 CO 0.29 -0.36 -0.16 0.00 -2.00 0.00 0.00 174.74 172.52 1x65 s ALA 67 N -3.73 2.46 0.21 -1.38 0.00 -1.26 -3.56 121.76 114.49 1x65 s ALA 67 Ca 0.37 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1x65 s ALA 67 Cb 0.07 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 1x65 s ALA 67 CO 0.14 -0.32 0.30 0.96 0.00 0.00 0.00 175.76 176.84 1x65 s ILE 68 N 1.26 5.11 -0.12 0.00 -4.36 -1.26 -4.73 121.20 117.10 1x65 s ILE 68 Ca 0.04 -0.96 -0.10 0.00 -0.26 0.00 0.00 60.65 59.36 1x65 s ILE 68 Cb -0.14 -3.72 0.02 0.00 1.25 0.00 0.00 42.46 39.87 1x65 s ILE 68 CO -0.09 -0.24 0.17 0.54 0.24 0.00 0.00 174.94 175.56 1x65 n ARG 69 N -1.03 -0.62 -3.10 0.37 5.12 -1.25 -4.08 116.66 112.07 1x65 n ARG 69 Ca -0.08 0.73 -0.42 0.00 -1.93 0.00 0.00 57.85 56.15 1x65 n ARG 69 Cb 0.56 -0.98 -0.07 0.00 -1.16 0.00 0.00 32.46 30.82 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 -0.85 4.85 -0.27 0.55 1.01 0.13 -4.63 121.20 121.99 1x65 s ILE 70 Ca 0.10 0.43 0.02 0.00 0.00 0.00 0.00 60.65 61.20 1x65 s ILE 70 Cb -0.01 -4.13 0.07 0.00 0.01 0.00 0.00 42.46 38.40 1x65 s ILE 70 CO 0.23 -0.43 -0.02 -0.75 0.00 0.00 0.00 174.94 173.97 1x65 s LYS 71 N 2.79 1.57 0.50 2.79 2.20 -1.24 -4.14 119.74 124.21 1x65 s LYS 71 Ca 0.24 -1.27 -0.19 0.00 -0.36 0.00 0.00 55.97 54.39 1x65 s LYS 71 Cb -0.14 -2.71 -0.12 0.00 -1.51 0.00 0.00 37.83 33.35 1x65 s LYS 71 CO 0.17 -0.73 0.25 1.17 -0.36 0.00 0.00 175.35 175.84 1x65 n LYS 72 N 4.55 0.28 -3.94 4.03 4.81 -1.26 -3.06 118.16 123.58 1x65 n LYS 72 Ca -0.07 0.11 -0.33 0.00 -0.87 0.00 0.00 58.31 57.14 1x65 n LYS 72 Cb 0.43 -1.34 -0.05 0.00 0.02 0.00 0.00 35.03 34.09 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 2.85 4.28 0.56 3.14 1.43 -0.20 -4.82 118.68 125.93 1x65 s LEU 73 Ca 0.63 0.31 -0.19 0.00 -1.03 0.00 0.00 54.13 53.85 1x65 s LEU 73 Cb -0.51 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.10 1x65 s LEU 73 CO 0.60 0.26 1.13 -2.16 0.23 0.00 0.00 176.35 176.41 1x65 s PRO 74 N -1.91 3.26 0.28 1.29 0.04 -1.26 -4.57 135.00 132.12 1x65 s PRO 74 Ca 0.27 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1x65 s PRO 74 Cb -0.13 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 1x65 s PRO 74 CO 0.18 -0.92 1.23 1.17 0.04 0.00 0.00 177.00 178.70 1x65 n LYS 75 N -1.49 1.76 -1.33 4.56 4.81 -1.26 -3.78 118.16 121.43 1x65 n LYS 75 Ca 0.11 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1x65 n LYS 75 Cb 0.51 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.41 1x65 n LYS 75 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x65 n GLY 76 N 1.44 0.88 1.55 3.14 0.00 -1.26 -5.01 105.19 105.93 1x65 n GLY 76 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.26 0.00 -4.09 2.61 -1.04 -1.25 -5.12 114.28 104.13 1x65 n THR 77 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1x65 n THR 77 Cb 0.43 -0.32 -0.06 0.00 -1.82 0.00 0.00 70.33 68.56 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 -1.78 4.39 -0.30 12.58 1.01 -1.26 -5.11 120.40 129.93 1x65 s VAL 78 Ca 0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.84 1x65 s VAL 78 Cb 0.00 -3.21 0.16 0.00 0.00 0.00 0.00 36.38 33.33 1x65 s VAL 78 CO 0.00 -0.05 0.76 -0.44 0.00 0.00 0.00 175.10 175.37 1x65 s SER 79 N -2.90 -1.00 0.00 3.32 0.01 -1.26 -5.04 113.70 106.83 1x65 s SER 79 Ca 0.30 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.65 1x65 s SER 79 Cb -0.10 2.03 0.00 0.00 0.21 0.00 0.00 66.02 68.15 1x65 s SER 79 CO 0.22 -0.19 0.00 2.22 0.41 0.00 0.00 173.24 175.90 1x65 n PHE 80 N 5.33 -0.97 -3.12 2.43 -1.74 -1.26 -5.06 117.46 113.08 1x65 n PHE 80 Ca -0.08 0.00 -0.44 0.00 -0.56 0.00 0.00 57.45 56.37 1x65 n PHE 80 Cb 0.51 0.34 -0.06 0.00 1.52 0.00 0.00 39.48 41.79 1x65 n PHE 80 CO 0.00 0.00 0.00 -1.58 -0.56 0.00 0.00 176.76 174.62 1x65 s HIS 81 N -1.68 3.01 -0.35 2.97 2.46 -1.26 -4.90 115.29 115.53 1x65 s HIS 81 Ca 0.00 -0.56 0.06 0.00 0.47 0.00 0.00 55.06 55.03 1x65 s HIS 81 Cb 0.00 -3.67 0.45 0.00 -0.13 0.00 0.00 32.58 29.23 1x65 s HIS 81 CO 0.00 -1.11 1.25 -1.13 -2.47 0.00 0.00 174.74 171.28 1x65 n SER 82 N 6.33 5.13 -4.64 9.88 3.41 -1.26 -5.02 113.62 127.47 1x65 n SER 82 Ca -0.06 -3.75 -0.37 0.00 -0.26 0.00 0.00 58.87 54.43 1x65 n SER 82 Cb 0.45 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 1x65 n SER 82 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1x65 s HIS 83 N -3.61 3.28 0.53 7.33 3.76 -1.26 -4.94 115.29 120.38 1x65 s HIS 83 Ca 0.51 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.59 1x65 s HIS 83 Cb 0.42 -2.28 0.00 0.00 1.11 0.00 0.00 32.58 31.83 1x65 s HIS 83 CO -0.01 0.01 0.00 0.43 -0.85 0.00 0.00 174.74 174.32 1x65 n SER 84 N 4.41 -7.90 -4.70 1.40 7.64 -1.26 -4.89 113.62 108.31 1x65 n SER 84 Ca -0.15 1.56 -0.31 0.00 1.01 0.00 0.00 58.87 60.99 1x65 n SER 84 Cb 0.52 -4.56 0.14 0.00 -1.01 0.00 0.00 64.21 59.30 1x65 n SER 84 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x65 s GLY 85 N -4.66 1.68 -0.22 0.23 0.00 -1.26 -4.91 107.32 98.18 1x65 s GLY 85 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 44.72 44.90 1x65 s GLY 85 CO 0.00 0.87 1.61 2.56 0.00 0.00 0.00 173.10 178.14 1x65 s PRO 86 N -4.73 3.80 -0.16 2.90 0.04 -1.26 -5.00 135.00 130.59 1x65 s PRO 86 Ca 0.65 1.66 -0.08 0.00 0.04 0.00 0.00 61.00 63.27 1x65 s PRO 86 Cb -0.21 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 1x65 s PRO 86 CO 0.57 -1.28 0.10 -1.54 0.04 0.00 0.00 177.00 174.89 1x65 s SER 87 N 4.18 6.01 0.00 6.66 1.04 -1.26 -5.06 113.70 125.27 1x65 s SER 87 Ca 0.71 0.25 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1x65 s SER 87 Cb -0.25 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 63.88 1x65 s SER 87 CO 0.29 0.26 0.00 -0.24 0.98 0.00 0.00 173.24 174.53 1x65 n SER 88 N 2.97 0.00 0.00 7.02 2.88 -1.26 -5.23 113.62 119.99 1x65 n SER 88 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1x65 n SER 88 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42