#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 -0.62 0.34 1.61 1.04 -1.26 -5.18 113.70 109.63 1x65 s SER 2 Ca 0.00 1.07 0.09 0.00 0.48 0.00 0.00 55.95 57.59 1x65 s SER 2 Cb 0.00 1.19 -0.05 0.00 0.10 0.00 0.00 66.02 67.26 1x65 s SER 2 CO 0.00 -0.18 0.05 -0.94 0.98 0.00 0.00 173.24 173.15 1x65 s SER 3 N 0.97 4.30 -0.39 7.02 1.04 -1.26 -5.08 113.70 120.30 1x65 s SER 3 Ca -0.05 -0.94 0.06 0.00 0.48 0.00 0.00 55.95 55.51 1x65 s SER 3 Cb -0.05 -0.58 0.31 0.00 0.10 0.00 0.00 66.02 65.81 1x65 s SER 3 CO -0.12 -0.26 1.25 0.61 0.98 0.00 0.00 173.24 175.70 1x65 n GLY 4 N -1.00 0.49 0.27 7.32 0.00 -1.26 -5.01 105.19 106.00 1x65 n GLY 4 Ca -0.04 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1x65 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x65 n SER 5 N -0.21 1.68 -4.50 1.61 2.88 -1.26 -5.01 113.62 108.82 1x65 n SER 5 Ca -0.05 0.29 -0.31 0.00 -1.33 0.00 0.00 58.87 57.47 1x65 n SER 5 Cb 0.76 -0.69 -0.12 0.00 -0.75 0.00 0.00 64.21 63.41 1x65 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x65 s SER 6 N -6.99 4.04 0.02 -3.46 0.01 -1.26 -5.13 113.70 100.93 1x65 s SER 6 Ca -0.32 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 56.62 1x65 s SER 6 Cb 0.12 -0.73 -0.02 0.00 0.21 0.00 0.00 66.02 65.59 1x65 s SER 6 CO 0.41 0.25 -0.13 -0.83 0.41 0.00 0.00 173.24 173.36 1x65 s GLY 7 N -1.50 0.68 0.18 3.44 0.00 -1.26 -5.12 107.32 103.73 1x65 s GLY 7 Ca 0.16 -0.69 -0.31 0.00 0.00 0.00 0.00 44.72 43.87 1x65 s GLY 7 CO 0.06 -0.66 1.44 0.50 0.00 0.00 0.00 173.10 174.45 1x65 s ARG 8 N -0.85 4.29 0.23 2.90 0.52 -1.26 -4.83 118.95 119.95 1x65 s ARG 8 Ca 0.02 2.21 0.08 0.00 -0.52 0.00 0.00 55.73 57.51 1x65 s ARG 8 Cb -0.07 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 1x65 s ARG 8 CO 0.01 -0.45 0.03 -1.21 0.02 0.00 0.00 175.30 173.70 1x65 s GLU 9 N 0.53 2.44 0.26 3.54 0.41 -0.64 -4.92 118.70 120.32 1x65 s GLU 9 Ca 0.63 -1.23 0.12 0.00 -0.41 0.00 0.00 54.97 54.08 1x65 s GLU 9 Cb -0.40 -2.31 -0.05 0.00 -1.78 0.00 0.00 34.13 29.59 1x65 s GLU 9 CO 0.35 0.41 -0.21 -1.64 -0.49 0.00 0.00 175.26 173.68 1x65 s MET 10 N -3.39 1.64 0.25 1.61 -1.94 -1.26 -2.43 119.30 113.77 1x65 s MET 10 Ca 0.30 -1.71 -0.21 0.00 -1.71 0.00 0.00 55.69 52.36 1x65 s MET 10 Cb -0.08 -1.79 0.06 0.00 2.01 0.00 0.00 34.83 35.03 1x65 s MET 10 CO 0.20 0.35 0.90 0.20 -0.01 0.00 0.00 175.02 176.66 1x65 s GLY 11 N -3.29 0.07 -0.18 -0.03 0.00 -1.15 -2.79 107.32 99.95 1x65 s GLY 11 Ca 0.28 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.66 1x65 s GLY 11 CO 0.14 0.67 -0.17 -1.34 0.00 0.00 0.00 173.10 172.40 1x65 s VAL 12 N -2.74 2.36 -0.28 1.40 -7.23 -0.70 -2.55 120.40 110.67 1x65 s VAL 12 Ca 0.16 -0.85 -0.40 0.00 -1.81 0.00 0.00 61.98 59.09 1x65 s VAL 12 Cb -0.03 -2.00 -0.15 0.00 0.56 0.00 0.00 36.38 34.75 1x65 s VAL 12 CO 0.07 0.52 1.79 -0.38 -0.31 0.00 0.00 175.10 176.78 1x65 n ILE 13 N 4.51 0.32 0.03 -0.62 2.08 -1.24 -1.49 119.36 122.95 1x65 n ILE 13 Ca -0.20 -0.07 -0.02 0.00 0.56 0.00 0.00 62.75 63.02 1x65 n ILE 13 Cb 0.51 -1.28 -0.09 0.00 -0.75 0.00 0.00 39.64 38.02 1x65 n ILE 13 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x65 h ALA 14 N 7.65 0.67 -2.65 -1.39 0.00 -1.59 -2.79 119.26 119.17 1x65 h ALA 14 Ca -0.45 -0.97 -0.12 0.00 0.00 0.00 0.00 54.91 53.37 1x65 h ALA 14 Cb 1.32 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 19.25 1x65 h ALA 14 CO 0.97 1.08 -0.35 0.00 0.00 0.00 0.00 179.25 180.94 1x65 s ALA 15 N -2.83 0.19 -0.39 0.00 0.00 -1.24 -4.96 121.76 112.52 1x65 s ALA 15 Ca -0.02 -1.05 0.10 0.00 0.00 0.00 0.00 51.96 50.99 1x65 s ALA 15 Cb 0.08 0.97 0.38 0.00 0.00 0.00 0.00 23.12 24.56 1x65 s ALA 15 CO 0.81 -0.66 1.17 -1.33 0.00 0.00 0.00 175.76 175.75 1x65 n MET 16 N -0.24 1.13 -1.63 0.00 0.00 -1.26 -3.30 117.12 111.81 1x65 n MET 16 Ca -0.05 -2.26 -0.32 0.00 0.00 0.00 0.00 57.70 55.07 1x65 n MET 16 Cb 0.63 -0.64 0.05 0.00 0.00 0.00 0.00 33.22 33.27 1x65 n MET 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1x65 s ARG 17 N -0.67 2.82 -0.41 0.03 3.00 -1.03 -4.93 118.95 117.77 1x65 s ARG 17 Ca 0.25 1.15 -0.28 0.00 0.00 0.00 0.00 55.73 56.85 1x65 s ARG 17 Cb 0.38 -1.97 -0.02 0.00 0.00 0.00 0.00 34.95 33.34 1x65 s ARG 17 CO -0.05 -1.21 1.89 0.34 0.00 0.00 0.00 175.30 176.27 1x65 s ASP 18 N -3.22 5.59 0.00 0.23 2.15 -1.26 -2.67 116.67 117.50 1x65 s ASP 18 Ca 0.62 1.08 0.00 0.00 0.43 0.00 0.00 52.55 54.68 1x65 s ASP 18 Cb -0.17 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1x65 s ASP 18 CO 0.48 -1.99 0.00 0.61 -0.17 0.00 0.00 175.17 174.11 1x65 n GLY 19 N 5.56 3.63 1.68 2.66 0.00 -1.26 -5.07 105.19 112.38 1x65 n GLY 19 Ca 0.24 -0.98 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.17 -2.27 1.61 1.16 -1.09 -4.19 117.46 111.50 1x65 n PHE 20 Ca 0.00 -1.05 0.00 0.00 -1.87 0.00 0.00 57.45 54.53 1x65 n PHE 20 Cb 0.00 0.33 0.00 0.00 -1.61 0.00 0.00 39.48 38.20 1x65 n PHE 20 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1x65 n GLY 21 N -0.27 3.15 3.29 4.97 0.00 -1.23 -2.46 105.19 112.64 1x65 n GLY 21 Ca -0.01 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.51 -0.21 -0.08 1.61 0.08 -1.21 -4.07 117.98 110.60 1x65 s PHE 22 Ca 0.00 0.17 -0.01 0.00 0.12 0.00 0.00 56.93 57.21 1x65 s PHE 22 Cb 0.00 0.16 0.03 0.00 -0.57 0.00 0.00 43.02 42.64 1x65 s PHE 22 CO 0.00 -0.52 -0.01 0.42 -0.10 0.00 0.00 175.22 175.00 1x65 s ILE 23 N -2.29 0.51 -0.49 0.64 1.01 -1.21 -1.43 121.20 117.94 1x65 s ILE 23 Ca -0.07 0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.40 1x65 s ILE 23 Cb -0.01 -0.64 0.03 0.00 0.01 0.00 0.00 42.46 41.86 1x65 s ILE 23 CO -0.01 0.28 0.80 -0.75 0.00 0.00 0.00 174.94 175.25 1x65 s LYS 24 N 1.91 3.33 0.60 2.79 2.20 -0.56 -0.78 119.74 129.23 1x65 s LYS 24 Ca 0.05 -0.29 -0.18 0.00 -0.36 0.00 0.00 55.97 55.19 1x65 s LYS 24 Cb -0.12 -4.00 -0.05 0.00 -1.51 0.00 0.00 37.83 32.15 1x65 s LYS 24 CO -0.06 -1.23 0.88 0.00 -0.36 0.00 0.00 175.35 174.58 1x65 h VAL 26 N 0.40 0.00 0.00 0.00 -1.51 -1.90 -3.36 116.25 109.89 1x65 h VAL 26 Ca -0.48 -0.81 -0.18 0.00 -1.23 0.00 0.00 66.70 63.99 1x65 h VAL 26 Cb 1.37 1.81 -0.03 0.00 -2.13 0.00 0.00 31.29 32.31 1x65 h VAL 26 CO 0.50 0.00 -1.68 -0.67 -1.23 0.00 0.00 177.57 174.49 1x65 n ASP 27 N -2.81 2.58 -3.81 4.19 2.03 -1.26 -5.02 116.55 112.45 1x65 n ASP 27 Ca 0.04 -0.01 -0.29 0.00 0.52 0.00 0.00 54.79 55.06 1x65 n ASP 27 Cb 0.49 -0.23 0.20 0.00 -0.72 0.00 0.00 41.12 40.87 1x65 n ASP 27 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1x65 n ARG 28 N -3.01 -1.43 0.00 -0.67 1.74 -1.26 -5.02 116.66 107.01 1x65 n ARG 28 Ca -0.22 -1.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.90 1x65 n ARG 28 Cb 0.71 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 1x65 n ARG 28 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1x65 n ASP 29 N -3.93 1.23 -4.57 0.55 8.00 -1.26 -4.55 116.55 112.02 1x65 n ASP 29 Ca 0.16 -1.45 -0.31 0.00 0.71 0.00 0.00 54.79 53.91 1x65 n ASP 29 Cb 0.56 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.56 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 -0.45 3.41 0.72 2.53 -7.23 -1.26 -4.99 120.40 113.12 1x65 s VAL 30 Ca 0.00 -1.10 -0.11 0.00 -1.81 0.00 0.00 61.98 58.95 1x65 s VAL 30 Cb 0.00 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.42 1x65 s VAL 30 CO 0.00 0.22 1.07 0.00 -0.31 0.00 0.00 175.10 176.09 1x65 s ARG 31 N -1.89 2.75 -0.32 4.82 1.70 -1.26 -3.89 118.95 120.85 1x65 s ARG 31 Ca 0.20 0.72 0.03 0.00 -0.47 0.00 0.00 55.73 56.21 1x65 s ARG 31 Cb -0.11 -1.99 0.09 0.00 -0.57 0.00 0.00 34.95 32.38 1x65 s ARG 31 CO 0.11 -1.17 0.04 1.41 -1.08 0.00 0.00 175.30 174.61 1x65 s MET 32 N -5.16 1.42 0.27 3.89 -2.45 0.04 -4.86 119.30 112.44 1x65 s MET 32 Ca 0.58 -1.63 -0.30 0.00 -1.25 0.00 0.00 55.69 53.09 1x65 s MET 32 Cb -0.13 -2.93 -0.13 0.00 1.25 0.00 0.00 34.83 32.89 1x65 s MET 32 CO 0.54 -0.90 1.33 0.34 1.05 0.00 0.00 175.02 177.38 1x65 n PHE 33 N 4.40 2.06 -3.84 4.11 7.35 -1.26 -3.32 117.46 126.95 1x65 n PHE 33 Ca 0.00 0.50 -0.12 0.00 -0.76 0.00 0.00 57.45 57.08 1x65 n PHE 33 Cb 0.42 -2.42 -0.10 0.00 0.35 0.00 0.00 39.48 37.74 1x65 n PHE 33 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 1x65 s PHE 34 N -0.43 -0.02 0.32 -5.13 -0.12 -1.26 -4.53 117.98 106.82 1x65 s PHE 34 Ca 0.64 -0.01 -0.06 0.00 -0.05 0.00 0.00 56.93 57.46 1x65 s PHE 34 Cb -0.65 -0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 41.68 1x65 s PHE 34 CO 0.54 -0.30 0.60 -1.01 -0.05 0.00 0.00 175.22 175.00 1x65 s HIS 35 N -1.28 3.48 -0.11 3.49 3.76 -1.26 -3.51 115.29 119.86 1x65 s HIS 35 Ca -0.14 0.70 0.00 0.00 -0.15 0.00 0.00 55.06 55.48 1x65 s HIS 35 Cb -0.07 -2.16 0.10 0.00 1.11 0.00 0.00 32.58 31.57 1x65 s HIS 35 CO 0.02 0.10 1.64 1.19 -0.85 0.00 0.00 174.74 176.85 1x65 n PHE 36 N -1.10 0.61 0.00 1.40 3.72 -1.26 -3.33 117.46 117.49 1x65 n PHE 36 Ca -0.01 -1.11 0.00 0.00 -0.05 0.00 0.00 57.45 56.28 1x65 n PHE 36 Cb 0.54 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.66 4.38 -0.01 4.37 7.64 -1.26 -4.62 113.62 124.78 1x65 n SER 37 Ca 0.12 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.15 1x65 n SER 37 Cb 0.62 0.82 0.82 0.00 -1.01 0.00 0.00 64.21 65.45 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 -1.38 0.66 0.00 1.43 4.71 -1.21 -3.27 120.64 121.58 1x65 n GLU 38 Ca 0.00 -0.02 0.13 0.00 -0.01 0.00 0.00 57.16 57.26 1x65 n GLU 38 Cb 0.06 -1.50 0.78 0.00 -1.01 0.00 0.00 31.44 29.77 1x65 n GLU 38 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1x65 n ILE 39 N -1.15 0.00 0.31 -3.67 5.41 -1.26 0.20 119.36 119.20 1x65 n ILE 39 Ca 0.18 0.00 0.14 0.00 1.00 0.00 0.00 62.75 64.07 1x65 n ILE 39 Cb 0.20 -0.56 0.73 0.00 -0.71 0.00 0.00 39.64 39.30 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 -1.67 1.39 8.10 -1.82 -0.86 115.31 120.44 1x65 h LEU 40 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1x65 h LEU 40 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1x65 h LEU 40 CO 0.00 0.00 0.43 -0.78 -4.11 0.00 0.00 178.44 173.98 1x65 h ASP 41 N 0.00 0.00 -0.92 0.17 1.82 -1.70 -3.45 116.42 112.34 1x65 h ASP 41 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1x65 h ASP 41 Cb 0.69 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1x65 h ASP 41 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1x65 n GLY 42 N -1.26 0.15 0.00 -0.78 0.00 -0.33 -4.96 105.19 98.01 1x65 n GLY 42 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.14 0.00 -4.55 1.61 3.02 -1.25 -4.81 115.26 109.14 1x65 n ASN 43 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 1x65 n ASN 43 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 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 2.57 0.92 3.52 0.74 -1.26 -4.83 119.66 121.33 1x65 s GLN 44 Ca 0.00 0.21 -0.16 0.00 0.05 0.00 0.00 55.36 55.46 1x65 s GLN 44 Cb 0.00 -4.70 -0.08 0.00 1.10 0.00 0.00 33.01 29.33 1x65 s GLN 44 CO 0.00 -3.06 -0.24 1.28 -0.55 0.00 0.00 175.29 172.73 1x65 n LEU 45 N 13.43 -3.34 -3.73 3.68 4.77 -1.26 -5.02 117.00 125.53 1x65 n LEU 45 Ca 0.30 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.47 1x65 n LEU 45 Cb 0.50 -0.95 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 1x65 n LEU 45 CO 0.66 -4.90 0.05 -1.00 -1.33 0.00 0.00 177.39 170.87 1x65 s HIS 46 N -2.12 -0.10 -0.10 -1.77 3.76 -1.26 -5.11 115.29 108.59 1x65 s HIS 46 Ca 0.49 -0.13 -0.37 0.00 -0.15 0.00 0.00 55.06 54.90 1x65 s HIS 46 Cb -0.23 0.12 -0.15 0.00 1.11 0.00 0.00 32.58 33.43 1x65 s HIS 46 CO 0.74 -0.57 1.65 -0.89 -0.85 0.00 0.00 174.74 174.82 1x65 n ILE 47 N 0.24 0.25 -3.19 0.60 2.08 -1.26 -2.37 119.36 115.72 1x65 n ILE 47 Ca -0.17 -0.04 -0.10 0.00 0.56 0.00 0.00 62.75 63.00 1x65 n ILE 47 Cb 0.61 -1.27 0.04 0.00 -0.75 0.00 0.00 39.64 38.27 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 4.66 -2.49 -3.68 -1.39 0.00 -1.05 -4.98 120.51 111.57 1x65 n ALA 48 Ca 0.23 0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.51 1x65 n ALA 48 Cb 0.19 -4.25 -0.17 0.00 0.00 0.00 0.00 19.45 15.22 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 -3.25 1.72 0.42 0.00 1.11 -1.00 -4.88 116.67 110.79 1x65 s ASP 49 Ca 0.29 -0.24 -0.25 0.00 0.18 0.00 0.00 52.55 52.53 1x65 s ASP 49 Cb -0.04 -0.71 -0.10 0.00 1.07 0.00 0.00 42.92 43.14 1x65 s ASP 49 CO 0.74 -0.06 1.22 -0.62 1.18 0.00 0.00 175.17 177.64 1x65 n GLU 50 N 4.40 1.81 -3.79 8.23 1.02 -1.26 -3.71 120.64 127.34 1x65 n GLU 50 Ca -0.18 0.65 -0.13 0.00 -0.02 0.00 0.00 57.16 57.48 1x65 n GLU 50 Cb 0.51 -2.32 -0.10 0.00 -0.02 0.00 0.00 31.44 29.51 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 -1.21 0.03 -0.13 2.62 -7.23 -1.06 -1.53 120.40 111.89 1x65 s VAL 51 Ca 0.62 -0.25 0.01 0.00 -1.81 0.00 0.00 61.98 60.54 1x65 s VAL 51 Cb -0.52 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 1x65 s VAL 51 CO 0.58 -0.14 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.37 1x65 s GLU 52 N -0.52 3.29 0.02 4.82 2.12 -0.19 -2.93 118.70 125.30 1x65 s GLU 52 Ca -0.06 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.52 1x65 s GLU 52 Cb -0.04 -2.57 -0.02 0.00 0.26 0.00 0.00 34.13 31.76 1x65 s GLU 52 CO 0.02 0.16 0.00 -0.59 -0.54 0.00 0.00 175.26 174.31 1x65 s PHE 53 N 0.45 0.21 0.03 5.30 -0.12 -1.02 -3.18 117.98 119.65 1x65 s PHE 53 Ca -0.11 -0.43 -0.23 0.00 -0.05 0.00 0.00 56.93 56.11 1x65 s PHE 53 Cb -0.16 -0.16 -0.16 0.00 -0.63 0.00 0.00 43.02 41.92 1x65 s PHE 53 CO 0.05 -0.20 1.40 1.15 -0.05 0.00 0.00 175.22 177.57 1x65 h THR 54 N 4.61 1.30 -5.17 -4.49 2.02 -1.87 -1.69 112.91 107.62 1x65 h THR 54 Ca -0.31 -0.98 0.01 0.00 0.77 0.00 0.00 66.41 65.89 1x65 h THR 54 Cb 1.21 1.78 -0.07 0.00 -1.74 0.00 0.00 68.15 69.32 1x65 h THR 54 CO 0.41 0.28 -1.03 0.52 0.37 0.00 0.00 175.52 176.07 1x65 n VAL 55 N -4.77 -9.37 -4.29 3.16 0.31 -1.25 -4.20 118.33 97.92 1x65 n VAL 55 Ca -0.07 2.02 -0.19 0.00 -0.01 0.00 0.00 64.34 66.10 1x65 n VAL 55 Cb 0.24 -5.20 -0.11 0.00 -0.91 0.00 0.00 33.84 27.87 1x65 n VAL 55 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1x65 s VAL 56 N -0.45 1.55 -2.00 2.52 -7.23 -1.25 -4.78 120.40 108.75 1x65 s VAL 56 Ca -0.16 -1.91 0.13 0.00 -1.81 0.00 0.00 61.98 58.23 1x65 s VAL 56 Cb 0.01 -1.76 0.38 0.00 0.56 0.00 0.00 36.38 35.57 1x65 s VAL 56 CO 0.43 -0.45 1.22 -0.81 -0.31 0.00 0.00 175.10 175.18 1x65 n PRO 57 N 0.20 0.49 -1.19 4.82 -0.04 -1.26 -3.84 135.00 134.18 1x65 n PRO 57 Ca -0.13 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.48 1x65 n PRO 57 Cb 0.58 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 1x65 n PRO 57 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x65 n ASP 58 N -0.93 -6.75 -1.93 3.54 8.00 -1.19 -4.11 116.55 113.18 1x65 n ASP 58 Ca 0.10 0.63 -0.23 0.00 0.71 0.00 0.00 54.79 56.00 1x65 n ASP 58 Cb 0.05 -3.77 0.08 0.00 -0.02 0.00 0.00 41.12 37.45 1x65 n ASP 58 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1x65 n MET 59 N -3.61 2.93 -0.04 -1.24 2.81 -1.26 -4.52 117.12 112.20 1x65 n MET 59 Ca -0.01 -3.68 0.01 0.00 -1.81 0.00 0.00 57.70 52.20 1x65 n MET 59 Cb 0.64 -2.18 -0.12 0.00 -0.71 0.00 0.00 33.22 30.85 1x65 n MET 59 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1x65 n LEU 60 N -0.87 0.00 -0.23 4.03 7.94 -1.26 -5.12 117.00 121.49 1x65 n LEU 60 Ca 0.47 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 55.40 1x65 n LEU 60 Cb 0.90 0.16 -0.01 0.00 0.53 0.00 0.00 43.42 45.00 1x65 n LEU 60 CO 0.47 0.16 -0.08 -1.20 -1.11 0.00 0.00 177.39 175.63 1x65 n SER 61 N -2.25 -1.38 -1.38 1.96 7.64 -1.26 -4.97 113.62 111.97 1x65 n SER 61 Ca -0.12 0.18 -0.08 0.00 1.01 0.00 0.00 58.87 59.85 1x65 n SER 61 Cb 0.65 -0.76 0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1x65 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x65 n ALA 62 N -2.59 -0.39 -2.77 -0.43 0.00 -1.26 -4.44 120.51 108.62 1x65 n ALA 62 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 1x65 n ALA 62 Cb 0.11 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 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 -2.01 -3.46 -3.33 0.00 -0.06 -1.26 -5.04 117.38 102.22 1x65 n GLN 63 Ca -0.03 2.72 -0.11 0.00 -2.00 0.00 0.00 57.00 57.58 1x65 n GLN 63 Cb 0.54 -3.90 -0.07 0.00 -4.06 0.00 0.00 30.24 22.75 1x65 n GLN 63 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 1x65 s ARG 64 N -0.67 0.38 0.01 3.69 6.06 -1.26 -5.15 118.95 122.03 1x65 s ARG 64 Ca -0.17 0.12 0.04 0.00 -2.50 0.00 0.00 55.73 53.22 1x65 s ARG 64 Cb 0.01 -0.41 -0.01 0.00 0.06 0.00 0.00 34.95 34.60 1x65 s ARG 64 CO 0.57 -0.98 -0.12 0.54 -2.50 0.00 0.00 175.30 172.81 1x65 s ASN 65 N 2.50 1.35 0.25 -2.12 4.22 -1.26 -3.15 114.94 116.74 1x65 s ASN 65 Ca 0.10 -0.32 0.01 0.00 -2.14 0.00 0.00 52.86 50.51 1x65 s ASN 65 Cb -0.13 -0.11 -0.03 0.00 1.28 0.00 0.00 41.25 42.26 1x65 s ASN 65 CO -0.29 0.07 0.21 -1.38 -2.04 0.00 0.00 177.10 173.67 1x65 s HIS 66 N -0.56 1.30 -0.32 1.54 -3.43 -1.25 -4.98 115.29 107.59 1x65 s HIS 66 Ca 0.02 -1.43 -0.08 0.00 -0.80 0.00 0.00 55.06 52.77 1x65 s HIS 66 Cb -0.06 -0.55 0.01 0.00 -1.43 0.00 0.00 32.58 30.56 1x65 s HIS 66 CO 0.00 -0.76 0.13 0.00 -2.00 0.00 0.00 174.74 172.11 1x65 s ALA 67 N -3.87 3.16 0.40 -1.38 0.00 -1.26 -3.80 121.76 115.01 1x65 s ALA 67 Ca 0.38 -1.53 0.08 0.00 0.00 0.00 0.00 51.96 50.89 1x65 s ALA 67 Cb 0.05 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 1x65 s ALA 67 CO 0.17 -1.07 0.40 0.96 0.00 0.00 0.00 175.76 176.23 1x65 s ILE 68 N 1.53 2.88 -0.98 0.00 -4.36 -1.26 -4.68 121.20 114.32 1x65 s ILE 68 Ca 0.02 -1.28 -0.28 0.00 -0.26 0.00 0.00 60.65 58.85 1x65 s ILE 68 Cb -0.18 -3.04 0.04 0.00 1.25 0.00 0.00 42.46 40.53 1x65 s ILE 68 CO 0.04 -0.03 0.55 0.54 0.24 0.00 0.00 174.94 176.28 1x65 n ARG 69 N -1.57 -0.38 -2.00 0.37 5.12 -1.23 -4.38 116.66 112.59 1x65 n ARG 69 Ca 0.03 -0.03 -0.43 0.00 -1.93 0.00 0.00 57.85 55.50 1x65 n ARG 69 Cb 0.61 -1.80 -0.03 0.00 -1.16 0.00 0.00 32.46 30.08 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 -3.76 3.55 -0.08 0.55 1.01 0.13 -4.78 121.20 117.82 1x65 s ILE 70 Ca 0.39 0.64 0.03 0.00 0.00 0.00 0.00 60.65 61.71 1x65 s ILE 70 Cb -0.22 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.78 1x65 s ILE 70 CO 0.80 -0.13 -0.15 -0.75 0.00 0.00 0.00 174.94 174.70 1x65 s LYS 71 N 4.44 2.03 0.49 2.79 2.36 -1.19 -4.03 119.74 126.63 1x65 s LYS 71 Ca 0.75 -0.52 -0.23 0.00 -2.55 0.00 0.00 55.97 53.42 1x65 s LYS 71 Cb -0.31 -1.64 -0.07 0.00 -1.05 0.00 0.00 37.83 34.77 1x65 s LYS 71 CO 0.30 0.05 1.23 0.21 1.55 0.00 0.00 175.35 178.70 1x65 s LYS 72 N 0.62 3.55 0.03 4.03 2.20 -1.26 -1.03 119.74 127.89 1x65 s LYS 72 Ca -0.15 1.93 0.02 0.00 -0.36 0.00 0.00 55.97 57.41 1x65 s LYS 72 Cb -0.16 -2.36 -0.04 0.00 -1.51 0.00 0.00 37.83 33.76 1x65 s LYS 72 CO 0.04 -0.77 0.04 -0.51 -0.36 0.00 0.00 175.35 173.80 1x65 s LEU 73 N -3.19 3.68 0.77 5.43 1.43 -0.58 -4.82 118.68 121.40 1x65 s LEU 73 Ca 0.66 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.66 1x65 s LEU 73 Cb -0.32 -2.24 0.06 0.00 0.03 0.00 0.00 46.19 43.71 1x65 s LEU 73 CO 0.39 0.23 1.09 -2.16 0.23 0.00 0.00 176.35 176.14 1x65 s PRO 74 N -1.94 2.26 0.16 1.29 0.04 -1.26 -4.60 135.00 130.95 1x65 s PRO 74 Ca 0.24 1.18 -0.31 0.00 0.04 0.00 0.00 61.00 62.15 1x65 s PRO 74 Cb -0.12 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1x65 s PRO 74 CO 0.16 -1.64 1.35 0.15 0.04 0.00 0.00 177.00 177.05 1x65 s LYS 75 N -4.87 4.35 0.00 4.56 3.01 -1.26 -3.43 119.74 122.10 1x65 s LYS 75 Ca 0.61 2.07 0.00 0.00 -1.01 0.00 0.00 55.97 57.64 1x65 s LYS 75 Cb -0.17 -3.22 0.00 0.00 -1.01 0.00 0.00 37.83 33.43 1x65 s LYS 75 CO 0.56 -0.34 0.00 0.41 0.51 0.00 0.00 175.35 176.48 1x65 n GLY 76 N 2.86 3.30 0.09 -3.33 0.00 -1.26 -4.94 105.19 101.90 1x65 n GLY 76 Ca 0.08 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.15 1x65 n GLY 76 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x65 h THR 77 N 0.00 0.00 -3.78 2.61 2.02 -1.96 -3.41 112.91 108.39 1x65 h THR 77 Ca 0.00 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.69 1x65 h THR 77 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1x65 h THR 77 CO 0.00 0.00 0.15 -0.69 0.37 0.00 0.00 175.52 175.35 1x65 s VAL 78 N -3.54 4.68 -0.29 3.16 1.01 -1.26 -5.08 120.40 119.07 1x65 s VAL 78 Ca -0.03 0.91 -0.22 0.00 0.00 0.00 0.00 61.98 62.64 1x65 s VAL 78 Cb 0.02 -3.66 0.16 0.00 0.00 0.00 0.00 36.38 32.90 1x65 s VAL 78 CO 0.12 -0.35 1.15 -0.44 0.00 0.00 0.00 175.10 175.59 1x65 s SER 79 N -2.62 -0.31 0.00 3.32 0.01 -1.26 -5.03 113.70 107.80 1x65 s SER 79 Ca 0.54 0.56 0.00 0.00 1.31 0.00 0.00 55.95 58.36 1x65 s SER 79 Cb -0.10 0.78 0.00 0.00 0.21 0.00 0.00 66.02 66.91 1x65 s SER 79 CO 0.23 -0.09 0.00 2.22 0.41 0.00 0.00 173.24 176.00 1x65 n PHE 80 N 2.53 0.00 -0.07 2.43 -1.74 -1.26 -5.01 117.46 114.34 1x65 n PHE 80 Ca -0.14 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.61 1x65 n PHE 80 Cb 0.57 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.47 1x65 n PHE 80 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1x65 h HIS 81 N 0.00 -1.61 0.00 2.97 3.86 -1.96 -3.44 115.15 114.97 1x65 h HIS 81 Ca 0.00 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1x65 h HIS 81 Cb 0.00 0.74 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1x65 h HIS 81 CO 0.00 -0.52 0.00 0.45 0.86 0.00 0.00 177.93 178.72 1x65 n SER 82 N -5.41 0.00 -4.90 2.45 2.88 -1.26 -4.87 113.62 102.50 1x65 n SER 82 Ca -0.05 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.28 1x65 n SER 82 Cb 0.36 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.80 1x65 n SER 82 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1x65 s HIS 83 N 0.00 3.15 0.29 0.66 0.00 -1.26 -5.01 115.29 113.13 1x65 s HIS 83 Ca 0.00 -0.15 0.00 0.00 -3.00 0.00 0.00 55.06 51.91 1x65 s HIS 83 Cb 0.00 -1.65 0.00 0.00 -4.00 0.00 0.00 32.58 26.93 1x65 s HIS 83 CO 0.00 0.32 0.00 0.45 -1.00 0.00 0.00 174.74 174.51 1x65 n SER 84 N -1.37 -5.59 0.00 7.38 2.88 -1.26 -5.05 113.62 110.60 1x65 n SER 84 Ca -0.05 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1x65 n SER 84 Cb 0.58 -3.45 0.00 0.00 -0.75 0.00 0.00 64.21 60.59 1x65 n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x65 n GLY 85 N -3.37 2.57 3.68 0.46 0.00 -1.26 -5.04 105.19 102.23 1x65 n GLY 85 Ca -0.02 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 4.25 -0.03 1.61 0.04 -1.26 -5.01 135.00 132.60 1x65 s PRO 86 Ca 0.00 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 1x65 s PRO 86 Cb 0.00 -3.69 0.03 0.00 0.04 0.00 0.00 34.50 30.89 1x65 s PRO 86 CO 0.00 -0.67 0.04 -1.12 0.04 0.00 0.00 177.00 175.30 1x65 s SER 87 N 2.26 0.27 0.00 6.66 0.01 -1.26 -5.02 113.70 116.63 1x65 s SER 87 Ca 0.66 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.99 1x65 s SER 87 Cb -0.32 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1x65 s SER 87 CO 0.26 -0.16 0.00 -0.24 0.41 0.00 0.00 173.24 173.52 1x65 n SER 88 N 4.42 0.07 0.00 2.44 2.88 -1.26 -5.32 113.62 116.84 1x65 n SER 88 Ca -0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 1x65 n SER 88 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42