#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 3.38 -0.38 1.61 1.04 -1.26 -5.03 113.70 113.05 1x65 s SER 2 Ca 0.00 -1.06 -0.02 0.00 0.48 0.00 0.00 55.95 55.35 1x65 s SER 2 Cb 0.00 -0.27 0.20 0.00 0.10 0.00 0.00 66.02 66.05 1x65 s SER 2 CO 0.00 -0.05 2.19 -1.20 0.98 0.00 0.00 173.24 175.16 1x65 n SER 3 N -0.60 6.58 0.00 7.02 7.64 -1.26 -4.58 113.62 128.42 1x65 n SER 3 Ca -0.06 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.67 1x65 n SER 3 Cb 0.61 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1x65 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x65 n GLY 4 N 0.37 -1.60 3.21 0.23 0.00 -1.26 -5.15 105.19 100.99 1x65 n GLY 4 Ca 0.37 0.99 0.03 0.00 0.00 0.00 0.00 46.02 47.42 1x65 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x65 s SER 5 N 0.00 -1.36 0.00 1.61 0.15 -1.26 -5.00 113.70 107.83 1x65 s SER 5 Ca 0.00 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1x65 s SER 5 Cb 0.00 2.19 0.00 0.00 -1.71 0.00 0.00 66.02 66.50 1x65 s SER 5 CO 0.00 -0.26 0.00 -1.20 1.20 0.00 0.00 173.24 172.98 1x65 n SER 6 N 5.43 0.00 -3.61 5.45 7.64 -1.26 -5.09 113.62 122.18 1x65 n SER 6 Ca -0.02 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.57 1x65 n SER 6 Cb 0.51 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.55 1x65 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x65 s GLY 7 N 0.00 0.63 -0.27 0.23 0.00 -1.26 -5.11 107.32 101.54 1x65 s GLY 7 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 44.72 43.52 1x65 s GLY 7 CO 0.00 1.87 0.15 0.50 0.00 0.00 0.00 173.10 175.62 1x65 s ARG 8 N 1.97 3.82 0.17 2.90 0.52 -1.26 -3.73 118.95 123.35 1x65 s ARG 8 Ca 0.08 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1x65 s ARG 8 Cb -0.16 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 1x65 s ARG 8 CO -0.29 -0.20 0.33 -1.21 0.02 0.00 0.00 175.30 173.96 1x65 s GLU 9 N 1.71 3.47 0.20 3.54 0.41 -0.20 -4.91 118.70 122.91 1x65 s GLU 9 Ca 0.07 -0.51 0.08 0.00 -0.41 0.00 0.00 54.97 54.21 1x65 s GLU 9 Cb -0.16 -2.91 -0.05 0.00 -1.78 0.00 0.00 34.13 29.23 1x65 s GLU 9 CO 0.08 0.47 -0.16 -1.64 -0.49 0.00 0.00 175.26 173.52 1x65 s MET 10 N -3.30 1.35 0.00 1.61 -1.94 -1.26 -1.52 119.30 114.24 1x65 s MET 10 Ca 0.36 -1.55 0.00 0.00 -1.71 0.00 0.00 55.69 52.79 1x65 s MET 10 Cb -0.11 -1.27 0.00 0.00 2.01 0.00 0.00 34.83 35.46 1x65 s MET 10 CO 0.29 0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.94 1x65 n GLY 11 N -0.18 1.54 3.04 -0.03 0.00 -1.10 -4.14 105.19 104.33 1x65 n GLY 11 Ca -0.09 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.67 1.36 0.32 1.61 -7.23 0.52 -2.80 120.40 111.51 1x65 s VAL 12 Ca 0.00 -0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 1x65 s VAL 12 Cb 0.00 -1.24 -0.12 0.00 0.56 0.00 0.00 36.38 35.58 1x65 s VAL 12 CO 0.00 0.41 1.54 -0.38 -0.31 0.00 0.00 175.10 176.36 1x65 n ILE 13 N 4.08 1.37 -0.03 -0.62 2.08 -1.26 -0.59 119.36 124.39 1x65 n ILE 13 Ca -0.20 -0.34 -0.01 0.00 0.56 0.00 0.00 62.75 62.75 1x65 n ILE 13 Cb 0.51 -1.93 -0.06 0.00 -0.75 0.00 0.00 39.64 37.42 1x65 n ILE 13 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x65 n ALA 14 N 1.51 1.96 -2.83 -1.39 0.00 -0.34 -0.03 120.51 119.39 1x65 n ALA 14 Ca 0.06 -0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.00 1x65 n ALA 14 Cb 0.37 -0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 1x65 n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x65 s ALA 15 N -2.29 -0.28 -0.22 0.00 0.00 -1.22 -4.89 121.76 112.85 1x65 s ALA 15 Ca -0.03 -0.35 0.19 0.00 0.00 0.00 0.00 51.96 51.77 1x65 s ALA 15 Cb 0.03 0.27 0.43 0.00 0.00 0.00 0.00 23.12 23.85 1x65 s ALA 15 CO 0.31 -0.35 1.23 -1.33 0.00 0.00 0.00 175.76 175.62 1x65 n MET 16 N 0.72 1.23 -0.85 0.00 0.00 -1.26 -1.54 117.12 115.43 1x65 n MET 16 Ca -0.19 -2.46 -0.34 0.00 0.00 0.00 0.00 57.70 54.71 1x65 n MET 16 Cb 0.59 -0.64 0.10 0.00 0.00 0.00 0.00 33.22 33.26 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 -0.65 -0.33 -1.76 0.03 3.00 0.45 -4.71 116.66 112.69 1x65 n ARG 17 Ca -0.03 -0.07 -0.31 0.00 -0.01 0.00 0.00 57.85 57.43 1x65 n ARG 17 Cb 0.87 -1.57 -0.04 0.00 0.00 0.00 0.00 32.46 31.72 1x65 n ARG 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x65 s ASP 18 N -1.68 4.66 0.00 0.55 1.01 -1.26 -2.37 116.67 117.58 1x65 s ASP 18 Ca 0.51 0.44 0.00 0.00 0.71 0.00 0.00 52.55 54.21 1x65 s ASP 18 Cb -0.18 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1x65 s ASP 18 CO 0.72 -2.91 0.00 0.61 0.21 0.00 0.00 175.17 173.79 1x65 n GLY 19 N 6.18 3.60 2.74 0.21 0.00 -1.26 -5.07 105.19 111.59 1x65 n GLY 19 Ca 0.34 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.18 0.00 1.61 1.16 -1.00 -3.45 117.46 114.61 1x65 n PHE 20 Ca 0.00 -1.98 0.00 0.00 -1.87 0.00 0.00 57.45 53.60 1x65 n PHE 20 Cb 0.00 0.42 0.00 0.00 -1.61 0.00 0.00 39.48 38.29 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 -0.48 3.54 3.50 4.97 0.00 -1.26 -0.41 105.19 115.05 1x65 n GLY 21 Ca 0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 0.30 -0.61 -0.30 1.61 0.08 -0.59 -4.57 117.98 113.90 1x65 s PHE 22 Ca 0.00 0.90 -0.02 0.00 0.12 0.00 0.00 56.93 57.93 1x65 s PHE 22 Cb 0.00 0.45 0.10 0.00 -0.57 0.00 0.00 43.02 43.00 1x65 s PHE 22 CO 0.00 -0.66 0.11 0.42 -0.10 0.00 0.00 175.22 174.99 1x65 s ILE 23 N -1.85 0.51 -0.21 0.64 1.01 -1.22 -1.20 121.20 118.87 1x65 s ILE 23 Ca -0.07 -1.13 -0.29 0.00 0.00 0.00 0.00 60.65 59.16 1x65 s ILE 23 Cb -0.00 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1x65 s ILE 23 CO 0.04 -0.68 1.11 -0.75 0.00 0.00 0.00 174.94 174.66 1x65 s LYS 24 N 1.81 4.24 0.93 2.79 2.20 0.24 -1.12 119.74 130.83 1x65 s LYS 24 Ca 0.09 1.44 -0.12 0.00 -0.36 0.00 0.00 55.97 57.02 1x65 s LYS 24 Cb -0.17 -3.68 0.15 0.00 -1.51 0.00 0.00 37.83 32.62 1x65 s LYS 24 CO -0.29 -0.67 1.11 0.00 -0.36 0.00 0.00 175.35 175.14 1x65 h VAL 26 N -1.61 0.94 0.04 0.00 2.07 -1.95 -3.39 116.25 112.35 1x65 h VAL 26 Ca -0.52 -2.50 -0.34 0.00 0.82 0.00 0.00 66.70 64.17 1x65 h VAL 26 Cb 1.32 2.76 -0.04 0.00 -1.52 0.00 0.00 31.29 33.81 1x65 h VAL 26 CO 0.59 0.85 -1.97 0.47 0.02 0.00 0.00 177.57 177.53 1x65 n ASP 27 N -3.62 1.31 -4.73 0.57 9.92 -1.26 -4.88 116.55 113.86 1x65 n ASP 27 Ca -0.25 0.24 -0.37 0.00 -0.53 0.00 0.00 54.79 53.88 1x65 n ASP 27 Cb 1.06 -0.24 -0.07 0.00 -0.64 0.00 0.00 41.12 41.23 1x65 n ASP 27 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1x65 s ARG 28 N -2.56 4.28 -0.32 -1.24 0.52 -1.26 -4.97 118.95 113.39 1x65 s ARG 28 Ca -0.14 0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.27 1x65 s ARG 28 Cb 0.07 -3.42 0.20 0.00 0.52 0.00 0.00 34.95 32.32 1x65 s ARG 28 CO 0.78 0.22 2.05 -0.25 0.02 0.00 0.00 175.30 178.13 1x65 n ASP 29 N 3.57 6.45 -3.71 0.23 8.00 -1.26 -3.40 116.55 126.43 1x65 n ASP 29 Ca -0.10 -3.06 -0.16 0.00 0.71 0.00 0.00 54.79 52.17 1x65 n ASP 29 Cb 0.52 -1.07 -0.16 0.00 -0.02 0.00 0.00 41.12 40.39 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 -2.25 -0.12 0.80 2.53 -7.23 -1.26 -5.03 120.40 107.84 1x65 s VAL 30 Ca 0.31 0.30 -0.12 0.00 -1.81 0.00 0.00 61.98 60.66 1x65 s VAL 30 Cb 0.24 -0.19 0.08 0.00 0.56 0.00 0.00 36.38 37.08 1x65 s VAL 30 CO -0.01 0.12 1.14 0.00 -0.31 0.00 0.00 175.10 176.05 1x65 s ARG 31 N 1.67 1.83 -0.31 4.82 3.03 -1.26 -4.12 118.95 124.61 1x65 s ARG 31 Ca -0.03 1.48 -0.03 0.00 2.03 0.00 0.00 55.73 59.18 1x65 s ARG 31 Cb -0.12 -1.82 0.04 0.00 -1.03 0.00 0.00 34.95 32.02 1x65 s ARG 31 CO -0.04 -2.01 0.03 1.41 -1.13 0.00 0.00 175.30 173.56 1x65 s MET 32 N -4.47 2.54 -0.24 3.89 1.75 -0.28 -4.82 119.30 117.68 1x65 s MET 32 Ca 0.67 -1.20 -0.28 0.00 -1.25 0.00 0.00 55.69 53.63 1x65 s MET 32 Cb -0.23 -3.27 -0.04 0.00 2.84 0.00 0.00 34.83 34.13 1x65 s MET 32 CO 0.52 -0.61 2.16 -0.06 -0.65 0.00 0.00 175.02 176.38 1x65 s PHE 33 N 1.32 1.26 0.36 4.11 0.08 -1.26 -3.43 117.98 120.41 1x65 s PHE 33 Ca -0.04 0.56 0.09 0.00 0.12 0.00 0.00 56.93 57.67 1x65 s PHE 33 Cb -0.19 -3.96 -0.06 0.00 -0.57 0.00 0.00 43.02 38.24 1x65 s PHE 33 CO 0.00 -3.90 -0.03 -0.59 -0.10 0.00 0.00 175.22 170.60 1x65 s PHE 34 N 8.13 2.47 0.18 0.36 -0.71 -1.26 -4.46 117.98 122.69 1x65 s PHE 34 Ca 0.97 -0.52 0.08 0.00 -1.04 0.00 0.00 56.93 56.42 1x65 s PHE 34 Cb -0.31 -1.51 -0.04 0.00 -1.21 0.00 0.00 43.02 39.95 1x65 s PHE 34 CO 0.35 0.51 -0.02 -1.01 -1.34 0.00 0.00 175.22 173.71 1x65 s HIS 35 N -2.60 2.80 -0.03 3.49 3.76 -1.26 -4.16 115.29 117.28 1x65 s HIS 35 Ca 0.34 -0.16 -0.01 0.00 -0.15 0.00 0.00 55.06 55.08 1x65 s HIS 35 Cb 0.03 -1.35 -0.04 0.00 1.11 0.00 0.00 32.58 32.33 1x65 s HIS 35 CO 0.18 0.52 2.37 1.19 -0.85 0.00 0.00 174.74 178.15 1x65 n PHE 36 N -0.14 0.14 0.00 1.40 3.01 -1.22 -3.27 117.46 117.37 1x65 n PHE 36 Ca -0.10 -1.20 0.00 0.00 1.01 0.00 0.00 57.45 57.16 1x65 n PHE 36 Cb 0.55 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 1x65 n PHE 36 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1x65 n SER 37 N 1.62 1.89 0.04 4.37 7.64 -1.26 -4.66 113.62 123.25 1x65 n SER 37 Ca 0.13 -0.20 0.12 0.00 1.01 0.00 0.00 58.87 59.92 1x65 n SER 37 Cb 0.60 0.77 0.14 0.00 -1.01 0.00 0.00 64.21 64.71 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 -0.96 0.23 0.00 1.43 -0.58 -1.20 -3.82 120.64 115.74 1x65 n GLU 38 Ca 0.00 0.04 0.10 0.00 -0.42 0.00 0.00 57.16 56.88 1x65 n GLU 38 Cb 0.00 -1.62 0.57 0.00 -0.57 0.00 0.00 31.44 29.82 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 -1.94 0.00 0.20 -3.67 5.41 -1.26 -0.56 119.36 117.54 1x65 n ILE 39 Ca 0.03 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.87 1x65 n ILE 39 Cb 0.42 -0.66 0.47 0.00 -0.71 0.00 0.00 39.64 39.15 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 -1.99 1.39 8.10 -1.85 -1.32 115.31 119.63 1x65 h LEU 40 Ca 0.00 0.00 0.26 0.00 0.11 0.00 0.00 57.88 58.25 1x65 h LEU 40 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.18 1x65 h LEU 40 CO 0.00 0.00 0.66 0.44 -4.11 0.00 0.00 178.44 175.43 1x65 h ASP 41 N 0.00 0.01 0.00 0.17 5.19 -1.73 -3.46 116.42 116.60 1x65 h ASP 41 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1x65 h ASP 41 Cb 0.57 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 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 -1.71 -0.02 0.00 2.75 0.00 -0.50 -5.08 105.19 100.64 1x65 n GLY 42 Ca 0.19 -0.73 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 -4.00 1.61 3.02 -1.26 -4.96 115.26 109.67 1x65 n ASN 43 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1x65 n ASN 43 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1x65 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x65 n GLN 44 N -0.03 2.83 -0.50 3.52 10.64 -1.26 -4.97 117.38 127.61 1x65 n GLN 44 Ca 0.00 -2.75 -0.25 0.00 -1.83 0.00 0.00 57.00 52.17 1x65 n GLN 44 Cb 0.00 -3.34 0.19 0.00 -0.86 0.00 0.00 30.24 26.23 1x65 n GLN 44 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1x65 n LEU 45 N 7.13 -1.47 0.00 2.61 4.77 -1.26 -5.03 117.00 123.75 1x65 n LEU 45 Ca 0.51 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1x65 n LEU 45 Cb 0.41 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1x65 n LEU 45 CO 0.86 -3.48 0.00 1.57 -1.33 0.00 0.00 177.39 175.01 1x65 n HIS 46 N -4.75 0.00 -1.60 -1.77 -0.00 -1.26 -5.10 115.22 100.75 1x65 n HIS 46 Ca 0.06 0.00 -0.57 0.00 0.46 0.00 0.00 57.72 57.67 1x65 n HIS 46 Cb 0.49 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.29 1x65 n HIS 46 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1x65 n ILE 47 N 0.44 0.04 -2.64 3.57 2.08 -1.26 -3.20 119.36 118.39 1x65 n ILE 47 Ca 0.00 -0.01 -0.06 0.00 0.56 0.00 0.00 62.75 63.24 1x65 n ILE 47 Cb 0.00 -0.56 0.01 0.00 -0.75 0.00 0.00 39.64 38.34 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 2.76 -1.81 -1.04 -1.39 0.00 0.96 -4.83 120.51 115.16 1x65 n ALA 48 Ca 0.22 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.72 1x65 n ALA 48 Cb 0.11 -0.63 0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 1.11 0.72 -2.37 0.00 8.00 -1.19 -4.83 116.55 117.99 1x65 n ASP 49 Ca -0.01 -1.72 -0.01 0.00 0.71 0.00 0.00 54.79 53.75 1x65 n ASP 49 Cb 0.41 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 1x65 n ASP 49 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x65 n GLU 50 N -0.29 -3.86 -4.24 -1.24 1.02 -1.24 -4.32 120.64 106.47 1x65 n GLU 50 Ca 0.02 2.83 -0.20 0.00 -0.02 0.00 0.00 57.16 59.80 1x65 n GLU 50 Cb 0.51 -3.72 -0.12 0.00 -0.02 0.00 0.00 31.44 28.09 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 -0.46 1.39 -0.21 2.62 -7.23 -1.12 -1.18 120.40 114.22 1x65 s VAL 51 Ca -0.05 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1x65 s VAL 51 Cb 0.00 -1.43 0.03 0.00 0.56 0.00 0.00 36.38 35.54 1x65 s VAL 51 CO 0.13 -0.27 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.78 1x65 s GLU 52 N -2.25 2.76 0.21 4.82 2.12 0.11 -2.70 118.70 123.78 1x65 s GLU 52 Ca 0.06 -0.99 0.07 0.00 0.36 0.00 0.00 54.97 54.47 1x65 s GLU 52 Cb -0.08 -2.70 -0.05 0.00 0.26 0.00 0.00 34.13 31.56 1x65 s GLU 52 CO 0.03 -0.33 -0.11 -0.59 -0.54 0.00 0.00 175.26 173.72 1x65 s PHE 53 N 1.24 1.68 -0.42 5.30 -0.71 -0.58 -2.06 117.98 122.43 1x65 s PHE 53 Ca 0.01 -0.64 -0.18 0.00 -1.04 0.00 0.00 56.93 55.07 1x65 s PHE 53 Cb -0.15 -0.83 0.02 0.00 -1.21 0.00 0.00 43.02 40.84 1x65 s PHE 53 CO -0.10 0.28 0.51 0.99 -1.34 0.00 0.00 175.22 175.57 1x65 s THR 54 N -3.06 4.99 -0.48 -4.49 2.01 -1.25 -1.04 115.64 112.33 1x65 s THR 54 Ca 0.23 -0.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.86 1x65 s THR 54 Cb 0.01 -4.09 0.03 0.00 0.01 0.00 0.00 72.50 68.46 1x65 s THR 54 CO 0.07 -0.46 0.88 -0.69 -0.69 0.00 0.00 174.62 173.73 1x65 s VAL 55 N 2.39 4.51 0.04 3.82 1.01 -1.24 -4.27 120.40 126.66 1x65 s VAL 55 Ca 0.16 0.53 0.09 0.00 0.00 0.00 0.00 61.98 62.76 1x65 s VAL 55 Cb -0.16 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.77 1x65 s VAL 55 CO 0.15 -0.87 -0.25 0.68 0.00 0.00 0.00 175.10 174.82 1x65 s VAL 56 N 3.65 2.02 -2.00 2.92 -7.23 -1.26 -4.96 120.40 113.54 1x65 s VAL 56 Ca 0.33 -1.33 0.15 0.00 -1.81 0.00 0.00 61.98 59.32 1x65 s VAL 56 Cb -0.11 -1.73 0.43 0.00 0.56 0.00 0.00 36.38 35.52 1x65 s VAL 56 CO 0.23 0.34 1.31 -0.81 -0.31 0.00 0.00 175.10 175.86 1x65 n PRO 57 N 1.82 0.48 -0.87 4.82 -0.04 -1.26 -4.26 135.00 135.70 1x65 n PRO 57 Ca -0.17 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1x65 n PRO 57 Cb 0.52 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 1x65 n PRO 57 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1x65 n ASP 58 N -0.99 -5.72 -2.27 3.54 2.03 -1.24 -4.40 116.55 107.51 1x65 n ASP 58 Ca 0.11 0.93 -0.26 0.00 0.52 0.00 0.00 54.79 56.10 1x65 n ASP 58 Cb 0.05 -2.62 0.01 0.00 -0.72 0.00 0.00 41.12 37.84 1x65 n ASP 58 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1x65 n MET 59 N -3.00 3.51 0.05 -0.67 2.81 -1.26 -4.73 117.12 113.83 1x65 n MET 59 Ca 0.01 -4.33 0.00 0.00 -1.81 0.00 0.00 57.70 51.56 1x65 n MET 59 Cb 0.40 -2.26 0.00 0.00 -0.71 0.00 0.00 33.22 30.64 1x65 n MET 59 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1x65 n LEU 60 N -0.59 0.14 -4.03 4.03 4.77 -1.26 -5.15 117.00 114.90 1x65 n LEU 60 Ca 0.42 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1x65 n LEU 60 Cb 0.80 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.93 1x65 n LEU 60 CO 0.37 -0.54 0.20 -0.94 -1.33 0.00 0.00 177.39 175.15 1x65 s SER 61 N -5.17 0.57 -0.74 -1.43 1.04 -1.26 -5.06 113.70 101.65 1x65 s SER 61 Ca 0.00 -1.32 -0.02 0.00 0.48 0.00 0.00 55.95 55.09 1x65 s SER 61 Cb 0.00 0.67 0.31 0.00 0.10 0.00 0.00 66.02 67.10 1x65 s SER 61 CO 0.00 -1.31 2.17 0.00 0.98 0.00 0.00 173.24 175.07 1x65 n ALA 62 N -0.52 6.45 -2.00 5.32 0.00 -1.26 -4.14 120.51 124.35 1x65 n ALA 62 Ca -0.01 -3.76 -0.04 0.00 0.00 0.00 0.00 53.44 49.63 1x65 n ALA 62 Cb 0.61 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 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 -0.30 0.20 -3.75 0.00 7.27 -1.26 -5.11 117.38 114.42 1x65 n GLN 63 Ca 0.53 -0.71 -0.23 0.00 0.07 0.00 0.00 57.00 56.67 1x65 n GLN 63 Cb 0.36 0.45 -0.18 0.00 2.41 0.00 0.00 30.24 33.29 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 0.02 0.51 0.06 3.69 3.00 -1.26 -5.14 118.95 119.83 1x65 s ARG 64 Ca 0.01 0.11 0.05 0.00 -1.00 0.00 0.00 55.73 54.90 1x65 s ARG 64 Cb 0.07 -1.00 -0.03 0.00 0.00 0.00 0.00 34.95 33.99 1x65 s ARG 64 CO -0.02 -0.33 -0.13 -0.80 0.00 0.00 0.00 175.30 174.01 1x65 s ASN 65 N 2.00 1.55 -0.13 -2.12 0.01 -1.26 -3.66 114.94 111.32 1x65 s ASN 65 Ca 0.05 -0.58 -0.11 0.00 -0.71 0.00 0.00 52.86 51.51 1x65 s ASN 65 Cb -0.13 -0.05 0.04 0.00 0.41 0.00 0.00 41.25 41.52 1x65 s ASN 65 CO -0.05 -0.08 0.34 -1.38 -1.51 0.00 0.00 177.10 174.42 1x65 s HIS 66 N -1.21 -0.39 -0.17 2.20 -3.43 -1.26 -4.87 115.29 106.16 1x65 s HIS 66 Ca -0.03 0.93 -0.23 0.00 -0.80 0.00 0.00 55.06 54.93 1x65 s HIS 66 Cb -0.10 0.13 -0.02 0.00 -1.43 0.00 0.00 32.58 31.17 1x65 s HIS 66 CO 0.02 -0.20 0.74 0.00 -2.00 0.00 0.00 174.74 173.30 1x65 s ALA 67 N 0.34 3.50 0.35 -1.38 0.00 -1.26 -4.48 121.76 118.83 1x65 s ALA 67 Ca -0.01 -0.07 0.09 0.00 0.00 0.00 0.00 51.96 51.97 1x65 s ALA 67 Cb -0.03 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 1x65 s ALA 67 CO -0.01 -0.55 -0.08 0.96 0.00 0.00 0.00 175.76 176.08 1x65 s ILE 68 N 1.90 2.23 -0.53 0.00 -5.25 -1.26 -4.64 121.20 113.64 1x65 s ILE 68 Ca 0.35 -2.17 -0.09 0.00 -0.99 0.00 0.00 60.65 57.74 1x65 s ILE 68 Cb -0.16 -2.69 0.01 0.00 2.95 0.00 0.00 42.46 42.57 1x65 s ILE 68 CO 0.12 -0.18 0.46 0.54 -1.79 0.00 0.00 174.94 174.10 1x65 n ARG 69 N -0.82 -1.25 -2.15 0.37 5.12 -1.26 -3.87 116.66 112.80 1x65 n ARG 69 Ca -0.05 0.71 -0.42 0.00 -1.93 0.00 0.00 57.85 56.16 1x65 n ARG 69 Cb 0.64 -1.60 -0.03 0.00 -1.16 0.00 0.00 32.46 30.31 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 -2.22 3.46 -0.14 0.55 1.01 0.28 -4.69 121.20 119.45 1x65 s ILE 70 Ca 0.09 0.94 -0.00 0.00 0.00 0.00 0.00 60.65 61.68 1x65 s ILE 70 Cb -0.01 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.89 1x65 s ILE 70 CO 0.67 0.02 -0.10 -0.75 0.00 0.00 0.00 174.94 174.78 1x65 s LYS 71 N 2.02 1.82 0.50 2.79 2.20 -0.87 -4.21 119.74 123.98 1x65 s LYS 71 Ca 0.66 -0.43 -0.23 0.00 -0.36 0.00 0.00 55.97 55.61 1x65 s LYS 71 Cb -0.35 -1.88 -0.06 0.00 -1.51 0.00 0.00 37.83 34.03 1x65 s LYS 71 CO 0.29 -0.29 1.32 0.21 -0.36 0.00 0.00 175.35 176.52 1x65 s LYS 72 N 1.60 3.45 0.08 4.03 2.20 -1.26 0.08 119.74 129.93 1x65 s LYS 72 Ca 0.04 2.15 0.07 0.00 -0.36 0.00 0.00 55.97 57.87 1x65 s LYS 72 Cb -0.13 -2.41 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 1x65 s LYS 72 CO -0.09 -0.91 -0.14 -0.51 -0.36 0.00 0.00 175.35 173.34 1x65 s LEU 73 N -3.17 2.84 0.50 5.43 1.43 -0.33 -4.83 118.68 120.56 1x65 s LEU 73 Ca 0.66 -0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 53.13 1x65 s LEU 73 Cb -0.38 -1.66 -0.07 0.00 0.03 0.00 0.00 46.19 44.11 1x65 s LEU 73 CO 0.46 0.21 1.15 -2.16 0.23 0.00 0.00 176.35 176.24 1x65 s PRO 74 N -1.90 3.56 0.42 1.29 0.04 -1.26 -4.77 135.00 132.38 1x65 s PRO 74 Ca 0.18 1.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 1x65 s PRO 74 Cb -0.11 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 1x65 s PRO 74 CO 0.10 -0.70 1.34 1.63 0.04 0.00 0.00 177.00 179.41 1x65 n LYS 75 N -0.89 2.10 0.00 4.56 5.02 -1.26 -2.91 118.16 124.79 1x65 n LYS 75 Ca 0.09 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 1x65 n LYS 75 Cb 0.49 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 1x65 n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x65 n GLY 76 N 0.71 2.74 0.19 0.72 0.00 -1.26 -4.94 105.19 103.34 1x65 n GLY 76 Ca 0.06 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.43 2.61 2.02 -1.92 -3.44 112.91 109.76 1x65 h THR 77 Ca 0.00 0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.67 1x65 h THR 77 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1x65 h THR 77 CO 0.00 0.00 -0.44 -0.69 0.37 0.00 0.00 175.52 174.76 1x65 s VAL 78 N -4.04 5.29 0.00 3.16 1.01 -1.26 -5.10 120.40 119.45 1x65 s VAL 78 Ca -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1x65 s VAL 78 Cb 0.01 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1x65 s VAL 78 CO 0.22 -0.20 0.00 -1.20 0.00 0.00 0.00 175.10 173.92 1x65 n SER 79 N -0.92 0.00 -3.16 3.32 7.64 -1.26 -5.03 113.62 114.20 1x65 n SER 79 Ca -0.08 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.85 1x65 n SER 79 Cb 0.55 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.71 1x65 n SER 79 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1x65 s PHE 80 N -1.75 -0.02 -0.19 1.43 -0.71 -1.26 -5.09 117.98 110.39 1x65 s PHE 80 Ca 0.00 0.03 -0.04 0.00 -1.04 0.00 0.00 56.93 55.89 1x65 s PHE 80 Cb 0.00 0.01 0.01 0.00 -1.21 0.00 0.00 43.02 41.84 1x65 s PHE 80 CO 0.00 -0.01 0.08 0.72 -1.34 0.00 0.00 175.22 174.67 1x65 n HIS 81 N 4.65 -3.17 -3.29 3.49 8.25 -1.26 -5.03 115.22 118.86 1x65 n HIS 81 Ca -0.07 1.59 -0.09 0.00 -0.26 0.00 0.00 57.72 58.90 1x65 n HIS 81 Cb 0.56 -3.24 -0.05 0.00 1.12 0.00 0.00 29.99 28.38 1x65 n HIS 81 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1x65 s SER 82 N -1.08 -0.03 -0.39 0.41 0.01 -1.26 -5.12 113.70 106.25 1x65 s SER 82 Ca -0.09 -1.16 -0.22 0.00 1.31 0.00 0.00 55.95 55.79 1x65 s SER 82 Cb 0.01 1.19 0.01 0.00 0.21 0.00 0.00 66.02 67.43 1x65 s SER 82 CO 0.59 -0.23 0.71 -1.00 0.41 0.00 0.00 173.24 173.72 1x65 s HIS 83 N 1.68 3.10 -0.29 2.43 3.76 -1.26 -4.99 115.29 119.72 1x65 s HIS 83 Ca 0.16 0.32 -0.41 0.00 -0.15 0.00 0.00 55.06 54.99 1x65 s HIS 83 Cb -0.10 -3.34 -0.16 0.00 1.11 0.00 0.00 32.58 30.08 1x65 s HIS 83 CO -0.07 -0.76 1.71 -1.13 -0.85 0.00 0.00 174.74 173.65 1x65 n SER 84 N 6.31 2.21 0.00 1.40 3.41 -1.26 -4.74 113.62 120.95 1x65 n SER 84 Ca 0.01 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 1x65 n SER 84 Cb 0.48 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 1x65 n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x65 n GLY 85 N 4.09 -0.59 3.65 5.00 0.00 -1.26 -5.10 105.19 110.97 1x65 n GLY 85 Ca 0.27 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 4.00 -0.34 1.61 0.04 -1.26 -4.96 135.00 132.09 1x65 s PRO 86 Ca 0.00 1.84 0.04 0.00 0.04 0.00 0.00 61.00 62.93 1x65 s PRO 86 Cb 0.00 -3.97 0.17 0.00 0.04 0.00 0.00 34.50 30.74 1x65 s PRO 86 CO 0.00 -1.04 0.48 0.45 0.04 0.00 0.00 177.00 176.93 1x65 s SER 87 N 3.53 -0.18 0.00 6.66 0.15 -1.26 -4.98 113.70 117.62 1x65 s SER 87 Ca 0.69 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1x65 s SER 87 Cb -0.27 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1x65 s SER 87 CO 0.27 -0.27 0.00 -0.24 1.20 0.00 0.00 173.24 174.19 1x65 n SER 88 N 4.83 -0.02 0.00 5.45 2.88 -1.26 -5.23 113.62 120.28 1x65 n SER 88 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1x65 n SER 88 Cb 0.51 0.47 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42