#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 5.43 -0.25 1.61 0.15 -1.26 -5.10 113.70 114.29 1x65 s SER 2 Ca 0.00 0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.72 1x65 s SER 2 Cb 0.00 -1.52 0.13 0.00 -1.71 0.00 0.00 66.02 62.92 1x65 s SER 2 CO 0.00 0.31 0.45 -0.44 1.20 0.00 0.00 173.24 174.75 1x65 s SER 3 N -1.44 -0.28 -0.22 5.45 0.01 -1.26 -5.14 113.70 110.83 1x65 s SER 3 Ca 0.19 0.63 -0.21 0.00 1.31 0.00 0.00 55.95 57.87 1x65 s SER 3 Cb -0.12 1.45 -0.02 0.00 0.21 0.00 0.00 66.02 67.54 1x65 s SER 3 CO 0.09 -0.27 0.63 -0.83 0.41 0.00 0.00 173.24 173.28 1x65 s GLY 4 N 2.64 1.97 -0.27 3.44 0.00 -1.26 -5.04 107.32 108.80 1x65 s GLY 4 Ca 0.09 -0.32 -0.15 0.00 0.00 0.00 0.00 44.72 44.35 1x65 s GLY 4 CO -0.16 1.36 0.36 -0.56 0.00 0.00 0.00 173.10 174.09 1x65 s SER 5 N 1.28 6.23 -0.29 1.64 0.01 -1.26 -5.04 113.70 116.28 1x65 s SER 5 Ca 0.28 0.26 -0.17 0.00 1.31 0.00 0.00 55.95 57.63 1x65 s SER 5 Cb -0.16 -2.20 0.12 0.00 0.21 0.00 0.00 66.02 63.99 1x65 s SER 5 CO 0.10 -0.17 0.88 -0.55 0.41 0.00 0.00 173.24 173.90 1x65 s SER 6 N 1.65 -0.65 -0.11 2.44 0.15 -1.26 -5.06 113.70 110.85 1x65 s SER 6 Ca 0.14 1.06 -0.03 0.00 0.70 0.00 0.00 55.95 57.83 1x65 s SER 6 Cb -0.16 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1x65 s SER 6 CO 0.10 -0.17 0.11 0.61 1.20 0.00 0.00 173.24 175.09 1x65 n GLY 7 N 3.77 -1.86 3.24 9.45 0.00 -1.26 -4.79 105.19 113.74 1x65 n GLY 7 Ca -0.18 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1x65 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x65 s ARG 8 N -1.08 3.19 0.05 1.61 1.70 -1.26 -3.34 118.95 119.82 1x65 s ARG 8 Ca 0.04 -0.75 -0.00 0.00 -0.47 0.00 0.00 55.73 54.55 1x65 s ARG 8 Cb -0.01 -2.65 -0.04 0.00 -0.57 0.00 0.00 34.95 31.68 1x65 s ARG 8 CO 0.23 -0.04 0.19 -1.21 -1.08 0.00 0.00 175.30 173.40 1x65 s GLU 9 N 0.95 3.40 -0.03 3.89 2.02 -0.39 -4.90 118.70 123.64 1x65 s GLU 9 Ca -0.03 -0.44 0.06 0.00 0.02 0.00 0.00 54.97 54.58 1x65 s GLU 9 Cb -0.15 -3.03 -0.01 0.00 0.10 0.00 0.00 34.13 31.04 1x65 s GLU 9 CO -0.02 0.62 -0.19 -1.64 0.02 0.00 0.00 175.26 174.04 1x65 s MET 10 N -2.39 1.73 0.36 1.61 -1.94 -1.26 -2.39 119.30 115.02 1x65 s MET 10 Ca 0.33 -0.69 -0.17 0.00 -1.71 0.00 0.00 55.69 53.45 1x65 s MET 10 Cb -0.13 -1.59 0.06 0.00 2.01 0.00 0.00 34.83 35.17 1x65 s MET 10 CO 0.26 0.36 0.81 0.20 -0.01 0.00 0.00 175.02 176.64 1x65 s GLY 11 N -0.28 0.31 0.14 -0.03 0.00 -1.20 -4.30 107.32 101.96 1x65 s GLY 11 Ca 0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 44.72 44.07 1x65 s GLY 11 CO 0.00 -0.04 0.32 -1.34 0.00 0.00 0.00 173.10 172.05 1x65 s VAL 12 N -2.40 5.27 -0.20 1.40 -7.23 -0.75 -2.23 120.40 114.26 1x65 s VAL 12 Ca 0.16 -0.37 -0.28 0.00 -1.81 0.00 0.00 61.98 59.68 1x65 s VAL 12 Cb -0.05 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.21 1x65 s VAL 12 CO 0.10 -0.03 1.00 -0.63 -0.31 0.00 0.00 175.10 175.23 1x65 s ILE 13 N -1.71 4.73 -0.30 -0.62 -1.09 -1.23 0.89 121.20 121.87 1x65 s ILE 13 Ca 0.37 1.97 0.22 0.00 -2.23 0.00 0.00 60.65 60.98 1x65 s ILE 13 Cb -0.12 -4.28 0.11 0.00 -1.58 0.00 0.00 42.46 36.59 1x65 s ILE 13 CO 0.28 -0.12 1.25 0.00 -1.23 0.00 0.00 174.94 175.11 1x65 h ALA 14 N 7.39 0.69 -1.79 9.38 0.00 -1.80 -2.94 119.26 130.18 1x65 h ALA 14 Ca -0.22 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1x65 h ALA 14 Cb 1.08 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.68 1x65 h ALA 14 CO 0.94 0.07 0.46 0.00 0.00 0.00 0.00 179.25 180.73 1x65 s ALA 15 N -3.27 -1.88 -0.28 0.00 0.00 -1.25 -4.90 121.76 110.18 1x65 s ALA 15 Ca 0.02 1.42 0.19 0.00 0.00 0.00 0.00 51.96 53.59 1x65 s ALA 15 Cb 0.08 -0.35 0.49 0.00 0.00 0.00 0.00 23.12 23.34 1x65 s ALA 15 CO 0.75 -0.39 1.11 -1.33 0.00 0.00 0.00 175.76 175.90 1x65 n MET 16 N 0.57 2.14 -1.41 0.00 2.81 -1.26 -0.81 117.12 119.16 1x65 n MET 16 Ca -0.12 -3.66 -0.40 0.00 -1.81 0.00 0.00 57.70 51.72 1x65 n MET 16 Cb 0.59 -1.74 0.02 0.00 -0.71 0.00 0.00 33.22 31.37 1x65 n MET 16 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1x65 n ARG 17 N -0.58 0.39 -1.55 0.03 5.12 0.86 -4.69 116.66 116.24 1x65 n ARG 17 Ca 0.16 0.15 -0.31 0.00 -1.93 0.00 0.00 57.85 55.92 1x65 n ARG 17 Cb 0.84 -1.44 -0.04 0.00 -1.16 0.00 0.00 32.46 30.66 1x65 n ARG 17 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1x65 n ASP 18 N 1.32 2.19 0.00 0.55 8.00 -1.26 -1.18 116.55 126.17 1x65 n ASP 18 Ca 0.11 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.87 1x65 n ASP 18 Cb 0.44 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 1x65 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x65 n GLY 19 N 6.19 1.32 3.62 0.44 0.00 -1.26 -5.07 105.19 110.43 1x65 n GLY 19 Ca 0.39 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.64 0.12 0.00 1.61 -0.12 -0.33 -3.34 117.98 115.28 1x65 s PHE 20 Ca 0.00 -0.49 0.00 0.00 -0.05 0.00 0.00 56.93 56.39 1x65 s PHE 20 Cb 0.00 0.34 0.00 0.00 -0.63 0.00 0.00 43.02 42.73 1x65 s PHE 20 CO 0.00 -1.01 0.00 0.41 -0.05 0.00 0.00 175.22 174.57 1x65 n GLY 21 N -0.38 4.01 3.65 1.99 0.00 -1.20 -0.10 105.19 113.16 1x65 n GLY 21 Ca -0.05 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.25 -0.07 -0.25 1.61 0.08 0.01 -4.23 117.98 114.88 1x65 s PHE 22 Ca 0.00 -0.31 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 1x65 s PHE 22 Cb 0.00 0.47 0.12 0.00 -0.57 0.00 0.00 43.02 43.04 1x65 s PHE 22 CO 0.00 -1.04 0.29 0.42 -0.10 0.00 0.00 175.22 174.78 1x65 s ILE 23 N -3.91 -0.41 -0.46 0.64 1.01 -1.25 -2.30 121.20 114.51 1x65 s ILE 23 Ca 0.12 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.25 1x65 s ILE 23 Cb -0.03 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.62 1x65 s ILE 23 CO 0.03 -0.32 0.80 -0.75 0.00 0.00 0.00 174.94 174.70 1x65 s LYS 24 N 2.38 3.40 1.12 2.79 2.20 0.26 -1.71 119.74 130.17 1x65 s LYS 24 Ca 0.09 -0.13 -0.15 0.00 -0.36 0.00 0.00 55.97 55.42 1x65 s LYS 24 Cb -0.15 -3.95 0.25 0.00 -1.51 0.00 0.00 37.83 32.46 1x65 s LYS 24 CO -0.23 -1.16 1.08 0.00 -0.36 0.00 0.00 175.35 174.67 1x65 n VAL 26 N -4.57 1.70 -0.06 0.00 0.24 -1.26 -3.08 118.33 111.30 1x65 n VAL 26 Ca 0.07 -0.66 -0.15 0.00 -2.04 0.00 0.00 64.34 61.57 1x65 n VAL 26 Cb 0.58 -1.57 -0.14 0.00 -1.47 0.00 0.00 33.84 31.24 1x65 n VAL 26 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1x65 n ASP 27 N -3.37 1.30 0.08 -1.34 8.00 -1.26 -4.43 116.55 115.52 1x65 n ASP 27 Ca -0.33 0.12 -0.21 0.00 0.71 0.00 0.00 54.79 55.07 1x65 n ASP 27 Cb 1.04 -0.12 -0.14 0.00 -0.02 0.00 0.00 41.12 41.88 1x65 n ASP 27 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1x65 h ARG 28 N 0.02 0.48 -5.24 -1.24 2.47 -1.97 -3.48 114.38 105.43 1x65 h ARG 28 Ca -0.46 -0.70 -0.33 0.00 -1.26 0.00 0.00 59.98 57.22 1x65 h ARG 28 Cb 2.05 0.24 0.13 0.00 -1.65 0.00 0.00 29.97 30.74 1x65 h ARG 28 CO 0.03 1.31 -0.62 -0.25 0.56 0.00 0.00 179.97 181.00 1x65 n ASP 29 N -3.94 -4.87 -3.98 7.04 8.00 -1.18 -4.94 116.55 112.68 1x65 n ASP 29 Ca -0.14 -0.49 -0.10 0.00 0.71 0.00 0.00 54.79 54.77 1x65 n ASP 29 Cb 0.91 -4.50 -0.11 0.00 -0.02 0.00 0.00 41.12 37.40 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 -3.29 0.19 -0.13 2.53 -7.23 -1.26 -4.86 120.40 106.35 1x65 s VAL 30 Ca 0.38 -0.84 -0.27 0.00 -1.81 0.00 0.00 61.98 59.44 1x65 s VAL 30 Cb -0.17 -0.30 -0.02 0.00 0.56 0.00 0.00 36.38 36.45 1x65 s VAL 30 CO 0.64 -0.42 0.90 0.00 -0.31 0.00 0.00 175.10 175.92 1x65 s ARG 31 N -1.32 4.37 -0.69 4.82 1.70 -1.25 -3.00 118.95 123.59 1x65 s ARG 31 Ca -0.13 1.18 -0.15 0.00 -0.47 0.00 0.00 55.73 56.16 1x65 s ARG 31 Cb -0.09 -3.55 0.18 0.00 -0.57 0.00 0.00 34.95 30.92 1x65 s ARG 31 CO -0.01 -0.28 0.65 1.41 -1.08 0.00 0.00 175.30 175.99 1x65 s MET 32 N 1.94 3.32 0.19 3.89 -2.45 -0.69 -4.74 119.30 120.75 1x65 s MET 32 Ca 0.43 -2.10 -0.32 0.00 -1.25 0.00 0.00 55.69 52.45 1x65 s MET 32 Cb -0.18 -4.37 -0.15 0.00 1.25 0.00 0.00 34.83 31.38 1x65 s MET 32 CO 0.16 -1.32 1.19 0.34 1.05 0.00 0.00 175.02 176.44 1x65 n PHE 33 N 4.61 1.43 -3.64 4.11 7.35 -1.26 -3.87 117.46 126.19 1x65 n PHE 33 Ca 0.01 0.64 -0.13 0.00 -0.76 0.00 0.00 57.45 57.21 1x65 n PHE 33 Cb 0.44 -2.31 -0.06 0.00 0.35 0.00 0.00 39.48 37.90 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 -0.25 -0.29 0.24 -5.13 -0.12 -1.26 -4.46 117.98 106.71 1x65 s PHE 34 Ca 0.71 0.25 -0.02 0.00 -0.05 0.00 0.00 56.93 57.82 1x65 s PHE 34 Cb -0.80 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 41.79 1x65 s PHE 34 CO 0.52 -0.60 0.45 -1.01 -0.05 0.00 0.00 175.22 174.54 1x65 s HIS 35 N -2.59 3.48 -0.05 3.49 3.76 -1.26 -3.24 115.29 118.89 1x65 s HIS 35 Ca -0.05 0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 55.27 1x65 s HIS 35 Cb -0.01 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.74 1x65 s HIS 35 CO -0.03 0.30 2.29 1.19 -0.85 0.00 0.00 174.74 177.64 1x65 n PHE 36 N -0.86 0.21 0.00 1.40 3.01 -1.21 -3.38 117.46 116.63 1x65 n PHE 36 Ca -0.04 -1.21 0.00 0.00 1.01 0.00 0.00 57.45 57.21 1x65 n PHE 36 Cb 0.54 -0.75 -0.00 0.00 -0.01 0.00 0.00 39.48 39.26 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 1.52 3.82 -0.02 4.37 2.88 -1.26 -4.59 113.62 120.34 1x65 n SER 37 Ca 0.12 -0.12 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1x65 n SER 37 Cb 0.58 1.01 0.41 0.00 -0.75 0.00 0.00 64.21 65.46 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 -1.39 0.08 0.00 -1.46 -0.58 -1.22 -3.60 120.64 112.47 1x65 n GLU 38 Ca -0.00 -0.03 0.11 0.00 -0.42 0.00 0.00 57.16 56.82 1x65 n GLU 38 Cb 0.00 -1.50 0.65 0.00 -0.57 0.00 0.00 31.44 30.03 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 -1.43 0.00 0.20 -3.67 5.41 -1.26 -0.66 119.36 117.95 1x65 n ILE 39 Ca 0.07 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.91 1x65 n ILE 39 Cb 0.33 -0.62 0.47 0.00 -0.71 0.00 0.00 39.64 39.11 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 -1.15 1.39 8.10 -1.85 -0.59 115.31 121.21 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 0.14 -0.67 -4.11 0.00 0.00 178.44 173.80 1x65 n ASP 41 N -2.24 0.45 -2.24 0.17 -0.08 -1.23 -4.86 116.55 106.51 1x65 n ASP 41 Ca -0.01 0.66 -0.03 0.00 -1.51 0.00 0.00 54.79 53.90 1x65 n ASP 41 Cb 0.31 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 43.10 1x65 n ASP 41 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x65 n GLY 42 N -1.29 -0.95 0.00 0.27 0.00 -0.23 -5.01 105.19 97.98 1x65 n GLY 42 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1x65 n GLY 42 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x65 n ASN 43 N -0.69 0.00 -2.72 1.61 2.85 -1.26 -5.00 115.26 110.05 1x65 n ASN 43 Ca 0.04 -1.00 -0.22 0.00 -0.11 0.00 0.00 54.58 53.29 1x65 n ASN 43 Cb 0.32 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.36 1x65 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x65 n GLN 44 N 0.00 -1.10 -0.49 1.20 6.02 -1.26 -4.85 117.38 116.90 1x65 n GLN 44 Ca 0.00 0.91 -0.29 0.00 -0.01 0.00 0.00 57.00 57.61 1x65 n GLN 44 Cb 0.49 -1.26 0.27 0.00 1.02 0.00 0.00 30.24 30.77 1x65 n GLN 44 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1x65 s LEU 45 N -1.52 -0.08 -0.14 1.08 1.02 -1.26 -5.07 118.68 112.72 1x65 s LEU 45 Ca 0.21 1.18 -0.32 0.00 0.02 0.00 0.00 54.13 55.23 1x65 s LEU 45 Cb -0.02 -2.86 0.13 0.00 0.02 0.00 0.00 46.19 43.45 1x65 s LEU 45 CO 0.48 -4.74 1.09 -2.28 0.02 0.00 0.00 176.35 170.92 1x65 s HIS 46 N -2.40 -0.23 0.15 0.29 2.46 -1.26 -5.10 115.29 109.20 1x65 s HIS 46 Ca 0.69 0.22 -0.32 0.00 0.47 0.00 0.00 55.06 56.11 1x65 s HIS 46 Cb -0.20 0.51 -0.17 0.00 -0.13 0.00 0.00 32.58 32.59 1x65 s HIS 46 CO 0.62 -0.31 0.91 -0.89 -2.47 0.00 0.00 174.74 172.59 1x65 n ILE 47 N 0.08 1.15 -3.59 0.89 2.08 -1.26 -2.09 119.36 116.61 1x65 n ILE 47 Ca -0.04 -0.29 -0.28 0.00 0.56 0.00 0.00 62.75 62.70 1x65 n ILE 47 Cb 0.59 -0.37 0.05 0.00 -0.75 0.00 0.00 39.64 39.17 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 0.88 -2.51 -3.98 -1.39 0.00 -1.11 -4.95 120.51 107.44 1x65 n ALA 48 Ca 0.17 -0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 1x65 n ALA 48 Cb 0.21 -4.41 -0.17 0.00 0.00 0.00 0.00 19.45 15.08 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 -3.49 2.60 0.07 0.00 1.11 -0.89 -4.81 116.67 111.27 1x65 s ASP 49 Ca 0.45 -0.46 -0.31 0.00 0.18 0.00 0.00 52.55 52.42 1x65 s ASP 49 Cb -0.14 -1.13 -0.08 0.00 1.07 0.00 0.00 42.92 42.64 1x65 s ASP 49 CO 0.83 -0.06 1.66 -1.61 1.18 0.00 0.00 175.17 177.18 1x65 s GLU 50 N 1.47 4.19 0.03 8.23 2.02 -1.26 -3.53 118.70 129.86 1x65 s GLU 50 Ca 0.04 2.34 0.04 0.00 0.02 0.00 0.00 54.97 57.41 1x65 s GLU 50 Cb -0.13 -3.61 -0.02 0.00 0.10 0.00 0.00 34.13 30.47 1x65 s GLU 50 CO -0.10 -0.74 -0.12 0.14 0.02 0.00 0.00 175.26 174.46 1x65 s VAL 51 N 2.70 0.94 -0.20 2.63 -7.23 -0.94 -1.52 120.40 116.78 1x65 s VAL 51 Ca 0.74 -0.86 -0.07 0.00 -1.81 0.00 0.00 61.98 59.98 1x65 s VAL 51 Cb -0.40 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 1x65 s VAL 51 CO 0.32 0.00 0.06 -0.70 -0.31 0.00 0.00 175.10 174.48 1x65 s GLU 52 N -0.97 3.88 0.04 4.82 2.12 -0.62 -3.26 118.70 124.72 1x65 s GLU 52 Ca 0.01 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 54.94 1x65 s GLU 52 Cb -0.07 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 1x65 s GLU 52 CO 0.01 0.16 -0.02 -0.59 -0.54 0.00 0.00 175.26 174.28 1x65 s PHE 53 N 0.68 0.44 -0.36 5.30 -0.71 -1.01 -2.65 117.98 119.67 1x65 s PHE 53 Ca 0.03 -0.91 -0.11 0.00 -1.04 0.00 0.00 56.93 54.90 1x65 s PHE 53 Cb -0.13 -0.33 0.02 0.00 -1.21 0.00 0.00 43.02 41.37 1x65 s PHE 53 CO 0.02 -0.34 0.20 0.99 -1.34 0.00 0.00 175.22 174.75 1x65 s THR 54 N -3.29 4.69 -0.13 -4.49 2.01 -1.26 -1.27 115.64 111.89 1x65 s THR 54 Ca 0.01 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.02 1x65 s THR 54 Cb 0.03 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1x65 s THR 54 CO -0.08 -0.16 1.00 -0.69 -0.69 0.00 0.00 174.62 174.01 1x65 s VAL 55 N 1.59 4.77 0.02 3.82 1.01 -1.21 -4.14 120.40 126.25 1x65 s VAL 55 Ca 0.03 2.02 0.02 0.00 0.00 0.00 0.00 61.98 64.05 1x65 s VAL 55 Cb -0.19 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 1x65 s VAL 55 CO 0.07 -0.03 -0.06 0.68 0.00 0.00 0.00 175.10 175.76 1x65 s VAL 56 N 2.26 0.42 0.59 2.92 -7.23 -1.26 -4.97 120.40 113.14 1x65 s VAL 56 Ca 0.47 -0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 59.89 1x65 s VAL 56 Cb -0.17 -0.42 -0.03 0.00 0.56 0.00 0.00 36.38 36.31 1x65 s VAL 56 CO 0.15 -0.11 1.12 -2.16 -0.31 0.00 0.00 175.10 173.79 1x65 s PRO 57 N -0.75 3.12 0.45 4.82 0.04 -1.26 -3.95 135.00 137.47 1x65 s PRO 57 Ca -0.04 1.51 0.08 0.00 0.04 0.00 0.00 61.00 62.59 1x65 s PRO 57 Cb -0.05 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1x65 s PRO 57 CO 0.00 -1.02 0.62 0.34 0.04 0.00 0.00 177.00 176.98 1x65 s ASP 58 N -2.13 5.55 0.00 6.66 -1.08 0.73 -4.94 116.67 121.47 1x65 s ASP 58 Ca 0.70 -0.43 0.12 0.00 -0.52 0.00 0.00 52.55 52.42 1x65 s ASP 58 Cb -0.22 -0.57 0.39 0.00 -1.46 0.00 0.00 42.92 41.06 1x65 s ASP 58 CO 0.33 -0.87 1.30 1.15 0.52 0.00 0.00 175.17 177.61 1x65 n MET 59 N -1.94 1.67 -0.09 4.34 0.00 -1.26 -3.89 117.12 115.94 1x65 n MET 59 Ca 0.09 -1.03 -0.22 0.00 0.00 0.00 0.00 57.70 56.53 1x65 n MET 59 Cb 0.59 -1.27 -0.12 0.00 0.00 0.00 0.00 33.22 32.43 1x65 n MET 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1x65 n LEU 60 N 0.31 2.43 -3.54 3.17 4.77 -1.26 -5.05 117.00 117.84 1x65 n LEU 60 Ca 0.11 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.17 1x65 n LEU 60 Cb 0.26 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.34 1x65 n LEU 60 CO 0.08 0.70 0.68 -0.94 -1.33 0.00 0.00 177.39 176.58 1x65 s SER 61 N -6.96 -0.43 0.45 -1.43 1.04 -1.25 -5.02 113.70 100.10 1x65 s SER 61 Ca -0.31 0.32 0.22 0.00 0.48 0.00 0.00 55.95 56.66 1x65 s SER 61 Cb 0.09 0.38 1.21 0.00 0.10 0.00 0.00 66.02 67.80 1x65 s SER 61 CO 0.63 -0.49 1.85 0.00 0.98 0.00 0.00 173.24 176.20 1x65 h ALA 62 N 2.45 2.41 -2.49 5.32 0.00 -1.97 -3.20 119.26 121.78 1x65 h ALA 62 Ca -0.21 0.01 -0.78 0.00 0.00 0.00 0.00 54.91 53.92 1x65 h ALA 62 Cb 1.19 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.73 1x65 h ALA 62 CO 0.33 -0.70 0.49 -1.14 0.00 0.00 0.00 179.25 178.22 1x65 s GLN 63 N -5.30 3.97 -0.30 0.00 0.74 -1.26 -4.76 119.66 112.75 1x65 s GLN 63 Ca -0.07 -2.81 -0.16 0.00 0.05 0.00 0.00 55.36 52.37 1x65 s GLN 63 Cb 0.23 -4.61 0.18 0.00 1.10 0.00 0.00 33.01 29.91 1x65 s GLN 63 CO 0.78 -1.36 1.17 0.50 -0.55 0.00 0.00 175.29 175.83 1x65 s ARG 64 N -0.20 0.05 0.30 1.67 3.52 -1.21 -5.01 118.95 118.08 1x65 s ARG 64 Ca 0.29 0.07 0.05 0.00 -0.13 0.00 0.00 55.73 56.00 1x65 s ARG 64 Cb -0.09 0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.30 1x65 s ARG 64 CO -0.07 -0.08 0.22 0.54 -0.81 0.00 0.00 175.30 175.10 1x65 s ASN 65 N 2.99 1.41 0.20 -2.12 2.20 -1.26 -0.20 114.94 118.16 1x65 s ASN 65 Ca 0.15 -1.65 -0.19 0.00 -0.94 0.00 0.00 52.86 50.24 1x65 s ASN 65 Cb -0.03 0.50 0.03 0.00 -2.00 0.00 0.00 41.25 39.74 1x65 s ASN 65 CO -0.16 -0.99 0.56 -1.38 -2.94 0.00 0.00 177.10 172.19 1x65 s HIS 66 N -3.60 -0.17 -0.32 1.54 -3.43 -1.25 -4.94 115.29 103.11 1x65 s HIS 66 Ca 0.39 -0.17 -0.15 0.00 -0.80 0.00 0.00 55.06 54.32 1x65 s HIS 66 Cb 0.04 0.45 -0.02 0.00 -1.43 0.00 0.00 32.58 31.62 1x65 s HIS 66 CO 0.22 -0.95 0.38 0.00 -2.00 0.00 0.00 174.74 172.39 1x65 s ALA 67 N -3.87 3.51 0.28 -1.38 0.00 -1.26 -4.18 121.76 114.86 1x65 s ALA 67 Ca 0.09 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.03 1x65 s ALA 67 Cb -0.02 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1x65 s ALA 67 CO -0.03 -0.97 0.28 0.96 0.00 0.00 0.00 175.76 176.01 1x65 s ILE 68 N 2.07 4.39 -0.56 0.00 -4.36 -1.26 -4.71 121.20 116.76 1x65 s ILE 68 Ca 0.13 -1.26 -0.05 0.00 -0.26 0.00 0.00 60.65 59.22 1x65 s ILE 68 Cb -0.16 -3.46 0.01 0.00 1.25 0.00 0.00 42.46 40.10 1x65 s ILE 68 CO 0.11 -0.29 0.45 0.54 0.24 0.00 0.00 174.94 175.99 1x65 n ARG 69 N -1.32 -1.18 -2.23 0.37 5.12 -1.26 -4.10 116.66 112.07 1x65 n ARG 69 Ca -0.06 0.62 -0.43 0.00 -1.93 0.00 0.00 57.85 56.05 1x65 n ARG 69 Cb 0.58 -1.59 -0.02 0.00 -1.16 0.00 0.00 32.46 30.27 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 -2.46 3.94 -0.22 0.55 1.01 0.17 -4.74 121.20 119.45 1x65 s ILE 70 Ca 0.05 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1x65 s ILE 70 Cb -0.00 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.77 1x65 s ILE 70 CO 0.65 -0.13 -0.05 -0.75 0.00 0.00 0.00 174.94 174.67 1x65 s LYS 71 N 3.84 1.52 0.82 2.79 2.20 -1.09 -4.18 119.74 125.64 1x65 s LYS 71 Ca 0.64 -0.85 -0.14 0.00 -0.36 0.00 0.00 55.97 55.25 1x65 s LYS 71 Cb -0.27 -2.45 0.03 0.00 -1.51 0.00 0.00 37.83 33.63 1x65 s LYS 71 CO 0.22 -0.57 0.72 1.17 -0.36 0.00 0.00 175.35 176.53 1x65 n LYS 72 N 4.74 0.08 -4.61 4.03 4.81 -1.26 -1.58 118.16 124.37 1x65 n LYS 72 Ca -0.12 0.08 -0.30 0.00 -0.87 0.00 0.00 58.31 57.11 1x65 n LYS 72 Cb 0.45 -2.04 -0.14 0.00 0.02 0.00 0.00 35.03 33.32 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 -2.32 2.28 0.68 3.14 1.43 -0.57 -4.78 118.68 118.54 1x65 s LEU 73 Ca 0.65 -0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 1x65 s LEU 73 Cb -0.29 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.67 1x65 s LEU 73 CO 0.58 0.21 1.11 -2.16 0.23 0.00 0.00 176.35 176.33 1x65 s PRO 74 N -1.71 2.68 0.06 1.29 0.04 -1.26 -4.76 135.00 131.34 1x65 s PRO 74 Ca 0.13 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1x65 s PRO 74 Cb -0.10 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1x65 s PRO 74 CO 0.05 -1.33 1.83 0.21 0.04 0.00 0.00 177.00 177.79 1x65 s LYS 75 N -4.27 4.16 0.00 4.56 2.20 -1.26 -3.24 119.74 121.88 1x65 s LYS 75 Ca 0.66 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.77 1x65 s LYS 75 Cb -0.20 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 1x65 s LYS 75 CO 0.45 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 1x65 n GLY 76 N 4.30 3.33 0.35 5.54 0.00 -1.26 -4.97 105.19 112.47 1x65 n GLY 76 Ca 0.18 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.26 2.61 2.02 -1.94 -3.41 112.91 108.93 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 66.42 1x65 h THR 77 CO 0.00 0.00 -0.05 -0.69 0.37 0.00 0.00 175.52 175.15 1x65 s VAL 78 N -5.02 4.98 0.00 3.16 1.01 -1.26 -5.08 120.40 118.19 1x65 s VAL 78 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1x65 s VAL 78 Cb 0.06 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1x65 s VAL 78 CO 0.47 -0.58 0.00 -1.20 0.00 0.00 0.00 175.10 173.79 1x65 n SER 79 N -1.64 0.00 -4.63 3.32 7.64 -1.26 -5.02 113.62 112.03 1x65 n SER 79 Ca -0.01 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 1x65 n SER 79 Cb 0.55 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.67 1x65 n SER 79 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1x65 s PHE 80 N -2.00 1.96 -0.09 1.43 0.40 -1.26 -4.98 117.98 113.45 1x65 s PHE 80 Ca 0.00 -0.96 -0.02 0.00 -0.60 0.00 0.00 56.93 55.35 1x65 s PHE 80 Cb 0.00 -1.56 -0.05 0.00 0.51 0.00 0.00 43.02 41.92 1x65 s PHE 80 CO 0.00 0.18 -0.09 0.72 0.70 0.00 0.00 175.22 176.73 1x65 n HIS 81 N -1.14 0.00 -3.12 0.36 8.25 -1.26 -5.01 115.22 113.30 1x65 n HIS 81 Ca -0.14 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.92 1x65 n HIS 81 Cb 0.67 -0.32 -0.06 0.00 1.12 0.00 0.00 29.99 31.40 1x65 n HIS 81 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1x65 s SER 82 N -5.27 7.13 0.15 0.41 0.15 -1.26 -5.08 113.70 109.94 1x65 s SER 82 Ca -0.12 1.35 0.08 0.00 0.70 0.00 0.00 55.95 57.96 1x65 s SER 82 Cb 0.04 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 1x65 s SER 82 CO 0.18 0.13 -0.10 -1.00 1.20 0.00 0.00 173.24 173.65 1x65 s HIS 83 N -0.50 2.67 0.11 3.44 0.09 -1.26 -4.97 115.29 114.87 1x65 s HIS 83 Ca 0.34 -0.20 0.00 0.00 -0.00 0.00 0.00 55.06 55.19 1x65 s HIS 83 Cb -0.20 -1.34 0.00 0.00 -0.00 0.00 0.00 32.58 31.04 1x65 s HIS 83 CO 0.21 0.47 0.00 0.45 -0.00 0.00 0.00 174.74 175.87 1x65 n SER 84 N 0.31 -1.03 0.00 1.40 2.88 -1.26 -5.10 113.62 110.82 1x65 n SER 84 Ca -0.12 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1x65 n SER 84 Cb 0.54 1.20 0.00 0.00 -0.75 0.00 0.00 64.21 65.20 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 -1.23 -1.60 0.00 0.46 0.00 -1.26 -5.01 105.19 96.55 1x65 n GLY 85 Ca 0.00 0.81 0.07 0.00 0.00 0.00 0.00 46.02 46.90 1x65 n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x65 n PRO 86 N 0.00 0.15 -2.59 1.61 -0.04 -1.26 -4.96 135.00 127.92 1x65 n PRO 86 Ca 0.00 0.18 -0.02 0.00 -0.04 0.00 0.00 63.50 63.61 1x65 n PRO 86 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1x65 n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x65 n SER 87 N -1.34 -4.12 0.00 3.54 7.64 -1.26 -5.06 113.62 113.02 1x65 n SER 87 Ca 0.06 1.32 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1x65 n SER 87 Cb 0.13 -3.80 0.00 0.00 -1.01 0.00 0.00 64.21 59.53 1x65 n SER 87 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x65 n SER 88 N 2.00 0.00 0.00 6.43 7.64 -1.26 -5.10 113.62 123.33 1x65 n SER 88 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1x65 n SER 88 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64