#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x65 n SER 2 N 0.00 -7.72 -4.15 1.61 7.64 -1.26 -5.02 113.62 104.72 1x65 n SER 2 Ca 0.00 0.54 -0.33 0.00 1.01 0.00 0.00 58.87 60.09 1x65 n SER 2 Cb 0.00 -5.01 -0.16 0.00 -1.01 0.00 0.00 64.21 58.03 1x65 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x65 s SER 3 N -2.41 3.11 0.00 6.43 0.01 -1.26 -4.77 113.70 114.81 1x65 s SER 3 Ca 0.24 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1x65 s SER 3 Cb -0.06 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1x65 s SER 3 CO 0.78 0.04 0.00 0.61 0.41 0.00 0.00 173.24 175.08 1x65 n GLY 4 N 4.32 2.60 2.78 3.44 0.00 -1.26 -4.96 105.19 112.11 1x65 n GLY 4 Ca -0.20 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 3.94 -0.00 1.61 0.01 -1.26 -5.10 113.70 112.90 1x65 s SER 5 Ca 0.00 -2.37 0.04 0.00 1.31 0.00 0.00 55.95 54.92 1x65 s SER 5 Cb 0.00 -1.12 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 1x65 s SER 5 CO 0.00 -0.31 -0.11 -0.55 0.41 0.00 0.00 173.24 172.67 1x65 s SER 6 N 0.66 1.33 -0.72 2.44 0.15 -1.26 -5.05 113.70 111.25 1x65 s SER 6 Ca 0.15 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.60 1x65 s SER 6 Cb -0.22 -0.13 0.19 0.00 -1.71 0.00 0.00 66.02 64.14 1x65 s SER 6 CO -0.07 0.11 0.58 0.61 1.20 0.00 0.00 173.24 175.67 1x65 n GLY 7 N 2.65 4.19 3.53 9.45 0.00 -1.26 -5.06 105.19 118.68 1x65 n GLY 7 Ca -0.15 -2.63 -0.34 0.00 0.00 0.00 0.00 46.02 42.90 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 -1.66 3.75 0.12 1.61 1.70 -1.26 -2.97 118.95 120.25 1x65 s ARG 8 Ca 0.28 -0.46 0.10 0.00 -0.47 0.00 0.00 55.73 55.18 1x65 s ARG 8 Cb -0.01 -3.07 -0.04 0.00 -0.57 0.00 0.00 34.95 31.26 1x65 s ARG 8 CO -0.14 0.18 -0.24 -1.21 -1.08 0.00 0.00 175.30 172.81 1x65 s GLU 9 N 0.58 1.55 0.13 3.89 2.02 -0.96 -4.96 118.70 120.95 1x65 s GLU 9 Ca -0.00 -1.28 0.08 0.00 0.02 0.00 0.00 54.97 53.79 1x65 s GLU 9 Cb -0.14 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 1x65 s GLU 9 CO 0.02 0.46 -0.10 -1.64 0.02 0.00 0.00 175.26 174.03 1x65 s MET 10 N -2.02 2.10 0.22 1.61 -1.94 -1.26 -2.58 119.30 115.43 1x65 s MET 10 Ca 0.15 -1.10 -0.23 0.00 -1.71 0.00 0.00 55.69 52.80 1x65 s MET 10 Cb -0.10 -2.26 0.04 0.00 2.01 0.00 0.00 34.83 34.53 1x65 s MET 10 CO 0.07 0.48 0.85 0.20 -0.01 0.00 0.00 175.02 176.61 1x65 s GLY 11 N -2.41 -0.12 -0.03 -0.03 0.00 -1.09 -4.00 107.32 99.64 1x65 s GLY 11 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 44.72 44.80 1x65 s GLY 11 CO 0.14 0.04 0.06 -1.34 0.00 0.00 0.00 173.10 172.00 1x65 s VAL 12 N -3.47 4.62 -0.25 1.40 -7.23 -0.91 -2.45 120.40 112.11 1x65 s VAL 12 Ca 0.12 -0.36 -0.29 0.00 -1.81 0.00 0.00 61.98 59.65 1x65 s VAL 12 Cb -0.04 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 33.82 1x65 s VAL 12 CO 0.05 0.43 1.50 -0.63 -0.31 0.00 0.00 175.10 176.13 1x65 s ILE 13 N -1.10 3.86 -0.04 -0.62 -1.09 -0.77 0.14 121.20 121.58 1x65 s ILE 13 Ca 0.20 0.97 0.13 0.00 -2.23 0.00 0.00 60.65 59.72 1x65 s ILE 13 Cb -0.12 -3.88 -0.20 0.00 -1.58 0.00 0.00 42.46 36.68 1x65 s ILE 13 CO 0.10 -0.37 0.79 0.00 -1.23 0.00 0.00 174.94 174.24 1x65 h ALA 14 N 10.21 0.70 -2.55 9.38 0.00 -0.56 -0.64 119.26 135.79 1x65 h ALA 14 Ca -0.31 -1.24 -0.08 0.00 0.00 0.00 0.00 54.91 53.28 1x65 h ALA 14 Cb 1.13 0.35 -0.16 0.00 0.00 0.00 0.00 17.79 19.11 1x65 h ALA 14 CO 1.01 1.38 -0.18 0.00 0.00 0.00 0.00 179.25 181.46 1x65 s ALA 15 N -2.69 -0.82 -0.20 0.00 0.00 -1.18 -4.87 121.76 112.01 1x65 s ALA 15 Ca -0.03 0.11 0.19 0.00 0.00 0.00 0.00 51.96 52.22 1x65 s ALA 15 Cb 0.08 0.36 0.42 0.00 0.00 0.00 0.00 23.12 23.98 1x65 s ALA 15 CO 0.82 -0.45 1.22 -1.33 0.00 0.00 0.00 175.76 176.02 1x65 n MET 16 N 0.48 1.14 -0.78 0.00 2.81 -1.26 0.16 117.12 119.67 1x65 n MET 16 Ca -0.18 -2.42 -0.33 0.00 -1.81 0.00 0.00 57.70 52.95 1x65 n MET 16 Cb 0.60 -0.61 0.13 0.00 -0.71 0.00 0.00 33.22 32.63 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 -0.56 -0.65 -1.96 0.03 3.00 -0.20 -4.78 116.66 111.55 1x65 n ARG 17 Ca -0.03 -0.16 -0.41 0.00 -0.01 0.00 0.00 57.85 57.25 1x65 n ARG 17 Cb 0.88 -1.71 -0.03 0.00 0.00 0.00 0.00 32.46 31.60 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 -1.84 5.53 0.00 0.55 1.01 -1.26 -2.13 116.67 118.52 1x65 s ASP 18 Ca 0.54 0.97 0.00 0.00 0.71 0.00 0.00 52.55 54.78 1x65 s ASP 18 Cb -0.17 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1x65 s ASP 18 CO 0.68 -2.06 0.00 0.61 0.21 0.00 0.00 175.17 174.62 1x65 n GLY 19 N 5.58 0.88 3.68 0.21 0.00 -1.26 -5.07 105.19 109.22 1x65 n GLY 19 Ca 0.24 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.10 -0.03 0.00 1.61 -0.71 -0.90 -4.36 117.98 112.48 1x65 s PHE 20 Ca 0.00 -0.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.80 1x65 s PHE 20 Cb 0.00 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.37 1x65 s PHE 20 CO 0.00 -0.32 0.00 0.41 -1.34 0.00 0.00 175.22 173.97 1x65 n GLY 21 N -0.55 4.87 3.20 1.99 0.00 -1.18 -1.03 105.19 112.49 1x65 n GLY 21 Ca -0.07 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 0.06 -0.15 -0.40 1.61 0.08 0.12 -3.77 117.98 115.54 1x65 s PHE 22 Ca 0.00 0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.30 1x65 s PHE 22 Cb 0.00 0.07 0.13 0.00 -0.57 0.00 0.00 43.02 42.65 1x65 s PHE 22 CO 0.00 -0.34 0.21 0.42 -0.10 0.00 0.00 175.22 175.41 1x65 s ILE 23 N -1.15 1.07 -0.21 0.64 1.01 -0.81 0.25 121.20 121.99 1x65 s ILE 23 Ca -0.12 -2.19 -0.28 0.00 0.00 0.00 0.00 60.65 58.06 1x65 s ILE 23 Cb -0.05 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1x65 s ILE 23 CO 0.03 -0.87 2.22 -0.75 0.00 0.00 0.00 174.94 175.57 1x65 s LYS 24 N 0.71 3.14 0.49 2.79 2.20 0.12 -0.56 119.74 128.63 1x65 s LYS 24 Ca 0.16 2.05 -0.21 0.00 -0.36 0.00 0.00 55.97 57.61 1x65 s LYS 24 Cb -0.23 -4.37 -0.08 0.00 -1.51 0.00 0.00 37.83 31.64 1x65 s LYS 24 CO -0.04 -2.09 1.06 0.00 -0.36 0.00 0.00 175.35 173.92 1x65 n VAL 26 N -0.93 0.17 -0.07 0.00 0.24 -1.26 -4.16 118.33 112.32 1x65 n VAL 26 Ca 0.09 -0.15 -0.21 0.00 -2.04 0.00 0.00 64.34 62.03 1x65 n VAL 26 Cb 0.52 0.11 -0.13 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.82 2.03 -4.15 -1.34 8.00 -1.26 -4.99 116.55 113.02 1x65 n ASP 27 Ca 0.04 0.11 -0.16 0.00 0.71 0.00 0.00 54.79 55.49 1x65 n ASP 27 Cb 0.39 -0.70 0.07 0.00 -0.02 0.00 0.00 41.12 40.86 1x65 n ASP 27 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x65 n ARG 28 N -3.57 0.40 0.00 -1.24 5.12 -1.26 -5.03 116.66 111.07 1x65 n ARG 28 Ca -0.39 -2.29 0.08 0.00 -1.93 0.00 0.00 57.85 53.31 1x65 n ARG 28 Cb 0.97 -0.34 -0.05 0.00 -1.16 0.00 0.00 32.46 31.88 1x65 n ARG 28 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1x65 n ASP 29 N -2.68 1.18 -4.84 0.55 9.92 -1.26 -4.70 116.55 114.72 1x65 n ASP 29 Ca 0.13 -1.09 -0.22 0.00 -0.53 0.00 0.00 54.79 53.08 1x65 n ASP 29 Cb 0.46 0.76 -0.04 0.00 -0.64 0.00 0.00 41.12 41.66 1x65 n ASP 29 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1x65 s VAL 30 N -2.26 2.53 0.44 2.53 -7.23 -1.26 -4.98 120.40 110.18 1x65 s VAL 30 Ca 0.10 -1.45 0.08 0.00 -1.81 0.00 0.00 61.98 58.90 1x65 s VAL 30 Cb 0.13 -2.98 0.02 0.00 0.56 0.00 0.00 36.38 34.11 1x65 s VAL 30 CO 0.55 0.00 0.60 0.00 -0.31 0.00 0.00 175.10 175.94 1x65 s ARG 31 N -4.07 2.75 -0.36 4.82 1.70 -1.26 -3.02 118.95 119.51 1x65 s ARG 31 Ca 0.46 -1.30 0.03 0.00 -0.47 0.00 0.00 55.73 54.44 1x65 s ARG 31 Cb -0.01 -2.74 0.11 0.00 -0.57 0.00 0.00 34.95 31.73 1x65 s ARG 31 CO 0.26 -0.36 0.09 1.41 -1.08 0.00 0.00 175.30 175.63 1x65 s MET 32 N -4.40 1.34 0.13 3.89 -2.45 0.27 -4.80 119.30 113.29 1x65 s MET 32 Ca 0.56 -1.77 -0.31 0.00 -1.25 0.00 0.00 55.69 52.92 1x65 s MET 32 Cb -0.09 -2.88 -0.09 0.00 1.25 0.00 0.00 34.83 33.02 1x65 s MET 32 CO 0.34 -0.98 1.52 -0.59 1.05 0.00 0.00 175.02 176.36 1x65 s PHE 33 N 0.91 3.03 0.42 4.11 -0.71 -1.26 -1.92 117.98 122.57 1x65 s PHE 33 Ca 0.12 0.69 0.07 0.00 -1.04 0.00 0.00 56.93 56.77 1x65 s PHE 33 Cb -0.20 -3.85 -0.06 0.00 -1.21 0.00 0.00 43.02 37.70 1x65 s PHE 33 CO -0.11 -3.14 0.11 -0.59 -1.34 0.00 0.00 175.22 170.16 1x65 s PHE 34 N 1.36 2.52 0.18 3.49 -0.71 -1.25 -4.71 117.98 118.85 1x65 s PHE 34 Ca 0.69 -0.64 0.07 0.00 -1.04 0.00 0.00 56.93 56.00 1x65 s PHE 34 Cb -0.41 -1.88 -0.04 0.00 -1.21 0.00 0.00 43.02 39.48 1x65 s PHE 34 CO 0.31 0.27 0.06 -1.01 -1.34 0.00 0.00 175.22 173.51 1x65 s HIS 35 N -2.66 2.96 -0.07 3.49 3.76 -1.26 -3.10 115.29 118.41 1x65 s HIS 35 Ca 0.37 -0.09 -0.02 0.00 -0.15 0.00 0.00 55.06 55.17 1x65 s HIS 35 Cb 0.06 -1.42 -0.02 0.00 1.11 0.00 0.00 32.58 32.31 1x65 s HIS 35 CO 0.20 0.52 2.39 1.19 -0.85 0.00 0.00 174.74 178.20 1x65 n PHE 36 N -0.28 0.32 0.00 1.40 3.72 -1.26 -3.38 117.46 117.99 1x65 n PHE 36 Ca -0.09 -1.31 0.00 0.00 -0.05 0.00 0.00 57.45 56.00 1x65 n PHE 36 Cb 0.55 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 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 1.50 3.03 0.08 4.37 7.64 -1.26 -4.72 113.62 124.26 1x65 n SER 37 Ca 0.16 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.18 1x65 n SER 37 Cb 0.60 0.30 0.41 0.00 -1.01 0.00 0.00 64.21 64.51 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 -1.44 0.21 0.00 1.43 4.71 -1.22 -3.34 120.64 121.00 1x65 n GLU 38 Ca 0.00 0.15 0.09 0.00 -0.01 0.00 0.00 57.16 57.39 1x65 n GLU 38 Cb 0.31 -1.72 0.52 0.00 -1.01 0.00 0.00 31.44 29.53 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 -2.07 0.00 0.26 -3.67 5.41 -1.26 -0.56 119.36 117.47 1x65 n ILE 39 Ca 0.05 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.97 1x65 n ILE 39 Cb 0.41 -0.69 0.78 0.00 -0.71 0.00 0.00 39.64 39.43 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 -1.01 1.39 8.10 -1.83 -2.09 115.31 119.87 1x65 h LEU 40 Ca 0.00 0.00 0.39 0.00 0.11 0.00 0.00 57.88 58.38 1x65 h LEU 40 Cb 0.00 0.00 -0.17 0.00 -0.44 0.00 0.00 40.66 40.05 1x65 h LEU 40 CO 0.00 0.00 0.56 -2.24 -4.11 0.00 0.00 178.44 172.65 1x65 h ASP 41 N 0.00 0.39 0.00 0.17 2.03 -1.72 -3.45 116.42 113.84 1x65 h ASP 41 Ca 0.06 0.23 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1x65 h ASP 41 Cb 0.82 0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 1x65 h ASP 41 CO -0.00 -0.33 0.00 0.61 -1.03 0.00 0.00 179.24 178.49 1x65 n GLY 42 N -1.28 0.83 0.00 7.15 0.00 -0.79 -5.07 105.19 106.04 1x65 n GLY 42 Ca 0.36 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.88 115.26 109.19 1x65 n ASN 43 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.28 1x65 n ASN 43 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 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 2.38 0.95 3.52 0.74 -1.26 -4.94 119.66 121.05 1x65 s GLN 44 Ca 0.00 0.07 -0.12 0.00 0.05 0.00 0.00 55.36 55.36 1x65 s GLN 44 Cb 0.00 -4.88 0.10 0.00 1.10 0.00 0.00 33.01 29.33 1x65 s GLN 44 CO 0.00 -3.45 0.76 1.28 -0.55 0.00 0.00 175.29 173.33 1x65 n LEU 45 N 14.66 1.27 -3.86 3.68 4.77 -1.26 -5.04 117.00 131.22 1x65 n LEU 45 Ca 0.38 0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 56.60 1x65 n LEU 45 Cb 0.48 -1.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.20 1x65 n LEU 45 CO 0.61 -2.92 0.32 -1.38 -1.33 0.00 0.00 177.39 172.69 1x65 s HIS 46 N -2.50 0.00 0.37 -1.77 -3.43 -1.26 -5.11 115.29 101.59 1x65 s HIS 46 Ca 0.62 -0.39 -0.27 0.00 -0.80 0.00 0.00 55.06 54.22 1x65 s HIS 46 Cb -0.22 0.45 -0.11 0.00 -1.43 0.00 0.00 32.58 31.26 1x65 s HIS 46 CO 0.63 -1.06 1.22 -0.89 -2.00 0.00 0.00 174.74 172.64 1x65 n ILE 47 N -0.40 2.23 -3.70 -5.38 2.08 -1.26 -2.49 119.36 110.45 1x65 n ILE 47 Ca -0.05 -0.50 -0.22 0.00 0.56 0.00 0.00 62.75 62.54 1x65 n ILE 47 Cb 0.61 -1.46 0.04 0.00 -0.75 0.00 0.00 39.64 38.08 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 0.04 -1.93 -2.53 -1.39 0.00 -0.25 -4.91 120.51 109.54 1x65 n ALA 48 Ca 0.06 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 1x65 n ALA 48 Cb 0.37 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.40 1x65 n ALA 48 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x65 s ASP 49 N -4.24 4.34 0.04 0.00 2.15 -1.04 -4.79 116.67 113.13 1x65 s ASP 49 Ca 0.08 -0.13 -0.23 0.00 0.43 0.00 0.00 52.55 52.70 1x65 s ASP 49 Cb -0.04 -0.99 -0.06 0.00 -0.30 0.00 0.00 42.92 41.53 1x65 s ASP 49 CO 0.81 0.34 0.70 -1.61 -0.17 0.00 0.00 175.17 175.24 1x65 s GLU 50 N -0.86 4.43 0.02 4.34 2.02 -1.26 -1.84 118.70 125.54 1x65 s GLU 50 Ca 0.13 0.94 -0.14 0.00 0.02 0.00 0.00 54.97 55.92 1x65 s GLU 50 Cb -0.11 -3.34 0.02 0.00 0.10 0.00 0.00 34.13 30.80 1x65 s GLU 50 CO 0.02 0.35 0.30 0.14 0.02 0.00 0.00 175.26 176.08 1x65 s VAL 51 N -0.24 0.07 -0.08 2.63 -7.23 -1.02 -2.10 120.40 112.43 1x65 s VAL 51 Ca 0.35 -0.60 0.04 0.00 -1.81 0.00 0.00 61.98 59.97 1x65 s VAL 51 Cb -0.20 -0.77 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 1x65 s VAL 51 CO 0.21 -0.33 -0.21 -0.70 -0.31 0.00 0.00 175.10 173.76 1x65 s GLU 52 N -1.95 2.84 0.07 4.82 2.12 -0.97 -2.65 118.70 122.98 1x65 s GLU 52 Ca -0.09 -0.84 -0.09 0.00 0.36 0.00 0.00 54.97 54.31 1x65 s GLU 52 Cb -0.03 -2.31 -0.00 0.00 0.26 0.00 0.00 34.13 32.05 1x65 s GLU 52 CO 0.00 0.32 0.19 -0.59 -0.54 0.00 0.00 175.26 174.64 1x65 s PHE 53 N 0.01 0.12 0.03 5.30 -0.12 -1.07 -3.53 117.98 118.72 1x65 s PHE 53 Ca -0.08 -0.46 -0.18 0.00 -0.05 0.00 0.00 56.93 56.16 1x65 s PHE 53 Cb -0.15 -0.05 -0.06 0.00 -0.63 0.00 0.00 43.02 42.13 1x65 s PHE 53 CO 0.05 -0.49 0.53 0.99 -0.05 0.00 0.00 175.22 176.25 1x65 s THR 54 N -3.30 4.88 -0.22 -4.49 2.01 -1.26 -2.27 115.64 110.99 1x65 s THR 54 Ca 0.01 1.11 -0.05 0.00 0.31 0.00 0.00 61.69 63.07 1x65 s THR 54 Cb 0.02 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1x65 s THR 54 CO -0.08 0.52 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.66 1x65 s VAL 55 N -0.81 3.63 -0.02 3.82 1.01 -1.16 -3.91 120.40 122.97 1x65 s VAL 55 Ca 0.28 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1x65 s VAL 55 Cb -0.18 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1x65 s VAL 55 CO 0.17 0.41 0.08 0.68 0.00 0.00 0.00 175.10 176.44 1x65 s VAL 56 N 1.39 0.04 -0.40 2.92 -7.23 -1.26 -4.93 120.40 110.93 1x65 s VAL 56 Ca 0.05 -0.34 -0.28 0.00 -1.81 0.00 0.00 61.98 59.60 1x65 s VAL 56 Cb -0.14 -0.24 -0.01 0.00 0.56 0.00 0.00 36.38 36.55 1x65 s VAL 56 CO -0.01 -0.19 1.73 -2.16 -0.31 0.00 0.00 175.10 174.17 1x65 s PRO 57 N -0.58 3.24 0.32 4.82 0.04 -1.26 -4.22 135.00 137.36 1x65 s PRO 57 Ca -0.07 1.16 -0.19 0.00 0.04 0.00 0.00 61.00 61.94 1x65 s PRO 57 Cb -0.04 -4.20 -0.14 0.00 0.04 0.00 0.00 34.50 30.16 1x65 s PRO 57 CO 0.00 -1.97 0.14 -0.25 0.04 0.00 0.00 177.00 174.96 1x65 n ASP 58 N 10.48 -2.23 0.00 6.66 8.00 -1.22 -4.77 116.55 133.46 1x65 n ASP 58 Ca 0.21 0.75 0.10 0.00 0.71 0.00 0.00 54.79 56.56 1x65 n ASP 58 Cb 0.48 -0.77 0.50 0.00 -0.02 0.00 0.00 41.12 41.31 1x65 n ASP 58 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 1x65 n MET 59 N 1.11 0.29 -0.10 -1.24 0.00 -1.26 -3.15 117.12 112.76 1x65 n MET 59 Ca 0.11 0.10 -0.14 0.00 0.00 0.00 0.00 57.70 57.76 1x65 n MET 59 Cb 0.32 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 31.95 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 -1.28 2.84 -3.81 3.17 4.77 -1.26 -4.92 117.00 116.51 1x65 n LEU 60 Ca 0.10 -0.07 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 1x65 n LEU 60 Cb 0.16 -0.68 -0.16 0.00 -2.33 0.00 0.00 43.42 40.41 1x65 n LEU 60 CO 0.15 0.80 -0.37 -0.94 -1.33 0.00 0.00 177.39 175.70 1x65 s SER 61 N -6.00 3.68 0.34 -1.43 1.04 -1.19 -5.00 113.70 105.14 1x65 s SER 61 Ca -0.27 -1.28 0.14 0.00 0.48 0.00 0.00 55.95 55.02 1x65 s SER 61 Cb 0.07 -0.92 1.10 0.00 0.10 0.00 0.00 66.02 66.37 1x65 s SER 61 CO 0.45 -0.33 1.62 0.00 0.98 0.00 0.00 173.24 175.96 1x65 h ALA 62 N 8.07 1.86 -2.33 5.32 0.00 -1.88 -3.25 119.26 127.06 1x65 h ALA 62 Ca -0.15 0.24 -0.50 0.00 0.00 0.00 0.00 54.91 54.50 1x65 h ALA 62 Cb 1.06 0.29 0.05 0.00 0.00 0.00 0.00 17.79 19.19 1x65 h ALA 62 CO 0.42 -0.70 0.26 1.14 0.00 0.00 0.00 179.25 180.37 1x65 s GLN 63 N -5.68 3.49 0.14 0.00 1.03 -1.26 -4.45 119.66 112.92 1x65 s GLN 63 Ca -0.10 0.43 0.00 0.00 0.04 0.00 0.00 55.36 55.73 1x65 s GLN 63 Cb 0.31 -2.22 0.00 0.00 0.03 0.00 0.00 33.01 31.13 1x65 s GLN 63 CO 0.78 -0.44 0.00 -2.13 -2.54 0.00 0.00 175.29 170.96 1x65 n ARG 64 N -2.53 -1.76 -4.29 9.60 0.63 -1.26 -4.63 116.66 112.41 1x65 n ARG 64 Ca 0.03 1.28 -0.19 0.00 -0.92 0.00 0.00 57.85 58.05 1x65 n ARG 64 Cb 0.55 -1.41 -0.11 0.00 0.45 0.00 0.00 32.46 31.94 1x65 n ARG 64 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1x65 s ASN 65 N -1.45 2.31 0.24 6.15 0.01 -1.26 -3.77 114.94 117.17 1x65 s ASN 65 Ca 0.00 -0.87 0.12 0.00 -0.71 0.00 0.00 52.86 51.40 1x65 s ASN 65 Cb 0.00 -0.11 -0.05 0.00 0.41 0.00 0.00 41.25 41.51 1x65 s ASN 65 CO 0.00 -0.12 -0.22 -1.38 -1.51 0.00 0.00 177.10 173.87 1x65 s HIS 66 N -2.29 2.29 -0.33 2.20 -3.43 -1.26 -4.94 115.29 107.54 1x65 s HIS 66 Ca 0.14 -0.35 -0.14 0.00 -0.80 0.00 0.00 55.06 53.91 1x65 s HIS 66 Cb -0.04 -1.07 -0.02 0.00 -1.43 0.00 0.00 32.58 30.02 1x65 s HIS 66 CO 0.05 0.61 0.30 0.00 -2.00 0.00 0.00 174.74 173.70 1x65 s ALA 67 N -2.09 3.51 0.22 -1.38 0.00 -1.26 -4.43 121.76 116.34 1x65 s ALA 67 Ca 0.25 -1.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 1x65 s ALA 67 Cb -0.06 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1x65 s ALA 67 CO 0.12 -0.93 0.40 0.96 0.00 0.00 0.00 175.76 176.32 1x65 s ILE 68 N 1.90 5.20 -0.20 0.00 -4.36 -1.25 -4.70 121.20 117.78 1x65 s ILE 68 Ca 0.10 -0.44 -0.18 0.00 -0.26 0.00 0.00 60.65 59.87 1x65 s ILE 68 Cb -0.17 -3.76 0.03 0.00 1.25 0.00 0.00 42.46 39.81 1x65 s ILE 68 CO 0.11 -0.23 0.30 0.54 0.24 0.00 0.00 174.94 175.90 1x65 n ARG 69 N -0.85 -0.94 -2.69 0.37 5.12 -1.26 -4.17 116.66 112.25 1x65 n ARG 69 Ca -0.05 0.86 -0.43 0.00 -1.93 0.00 0.00 57.85 56.30 1x65 n ARG 69 Cb 0.54 -1.18 -0.02 0.00 -1.16 0.00 0.00 32.46 30.64 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 -0.94 4.60 0.07 0.55 1.01 0.28 -4.72 121.20 122.04 1x65 s ILE 70 Ca 0.17 1.73 0.10 0.00 0.00 0.00 0.00 60.65 62.65 1x65 s ILE 70 Cb -0.02 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 1x65 s ILE 70 CO 0.39 -0.37 -0.26 -0.75 0.00 0.00 0.00 174.94 173.96 1x65 s LYS 71 N 3.43 1.72 -0.16 2.79 2.20 -1.23 -4.18 119.74 124.30 1x65 s LYS 71 Ca 0.43 -1.16 -0.27 0.00 -0.36 0.00 0.00 55.97 54.61 1x65 s LYS 71 Cb -0.13 -1.98 -0.01 0.00 -1.51 0.00 0.00 37.83 34.20 1x65 s LYS 71 CO 0.12 0.50 0.90 0.21 -0.36 0.00 0.00 175.35 176.73 1x65 s LYS 72 N -1.49 4.32 0.41 4.03 2.20 -1.26 -2.28 119.74 125.66 1x65 s LYS 72 Ca 0.13 1.15 -0.22 0.00 -0.36 0.00 0.00 55.97 56.67 1x65 s LYS 72 Cb -0.10 -3.58 -0.11 0.00 -1.51 0.00 0.00 37.83 32.53 1x65 s LYS 72 CO 0.04 -0.37 0.95 -0.51 -0.36 0.00 0.00 175.35 175.09 1x65 s LEU 73 N 2.29 4.03 0.97 5.43 1.43 -0.89 -4.96 118.68 126.98 1x65 s LEU 73 Ca 0.41 1.72 -0.12 0.00 -1.03 0.00 0.00 54.13 55.11 1x65 s LEU 73 Cb -0.17 -4.43 0.17 0.00 0.03 0.00 0.00 46.19 41.80 1x65 s LEU 73 CO 0.13 -0.30 1.09 -2.16 0.23 0.00 0.00 176.35 175.34 1x65 s PRO 74 N -2.94 0.65 0.44 1.29 0.04 -1.26 -4.82 135.00 128.41 1x65 s PRO 74 Ca 0.59 0.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.01 1x65 s PRO 74 Cb -0.11 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1x65 s PRO 74 CO 0.15 -2.60 1.15 0.21 0.04 0.00 0.00 177.00 175.96 1x65 s LYS 75 N -4.95 3.86 -0.55 4.56 2.47 -1.26 -3.85 119.74 120.01 1x65 s LYS 75 Ca 0.65 1.76 -0.00 0.00 -1.56 0.00 0.00 55.97 56.81 1x65 s LYS 75 Cb -0.18 -2.47 0.00 0.00 -1.46 0.00 0.00 37.83 33.72 1x65 s LYS 75 CO 0.57 -0.47 0.46 0.41 0.16 0.00 0.00 175.35 176.49 1x65 n GLY 76 N 0.46 0.10 1.06 5.54 0.00 -1.26 -4.97 105.19 106.11 1x65 n GLY 76 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.54 0.00 -4.01 2.61 -1.04 -1.25 -5.09 114.28 102.96 1x65 n THR 77 Ca -0.12 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.63 1x65 n THR 77 Cb 0.57 -1.04 -0.04 0.00 -1.82 0.00 0.00 70.33 68.00 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 -1.94 4.94 0.14 12.58 1.01 -1.26 -5.11 120.40 130.75 1x65 s VAL 78 Ca 0.00 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 1x65 s VAL 78 Cb 0.00 -3.54 0.07 0.00 0.00 0.00 0.00 36.38 32.91 1x65 s VAL 78 CO 0.00 -0.10 0.99 -0.44 0.00 0.00 0.00 175.10 175.54 1x65 s SER 79 N -3.19 -0.16 -0.12 3.32 0.01 -1.26 -5.16 113.70 107.14 1x65 s SER 79 Ca 0.33 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.21 1x65 s SER 79 Cb -0.11 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.60 1x65 s SER 79 CO 0.26 -0.87 -0.21 -0.36 0.41 0.00 0.00 173.24 172.48 1x65 s PHE 80 N -3.18 2.47 0.25 2.43 0.40 -1.26 -5.02 117.98 114.07 1x65 s PHE 80 Ca 0.13 -1.18 -0.14 0.00 -0.60 0.00 0.00 56.93 55.14 1x65 s PHE 80 Cb -0.01 -1.69 0.33 0.00 0.51 0.00 0.00 43.02 42.16 1x65 s PHE 80 CO 0.02 -0.54 1.56 1.25 0.70 0.00 0.00 175.22 178.20 1x65 h HIS 81 N 7.23 -0.86 -3.22 0.36 2.76 -2.02 -3.36 115.15 116.04 1x65 h HIS 81 Ca -0.30 0.10 -0.54 0.00 -2.20 0.00 0.00 60.37 57.43 1x65 h HIS 81 Cb 1.20 0.53 -0.36 0.00 1.55 0.00 0.00 27.41 30.33 1x65 h HIS 81 CO 0.47 -0.42 -0.81 0.45 -1.30 0.00 0.00 177.93 176.32 1x65 s SER 82 N -5.32 2.21 -0.30 3.26 0.15 -1.26 -5.11 113.70 107.33 1x65 s SER 82 Ca -0.14 -0.34 -0.04 0.00 0.70 0.00 0.00 55.95 56.12 1x65 s SER 82 Cb 0.23 -0.92 0.03 0.00 -1.71 0.00 0.00 66.02 63.66 1x65 s SER 82 CO 0.74 -0.07 0.04 -2.28 1.20 0.00 0.00 173.24 172.87 1x65 s HIS 83 N 1.42 3.20 0.01 3.44 2.46 -1.26 -5.09 115.29 119.47 1x65 s HIS 83 Ca 0.00 -1.48 0.05 0.00 0.47 0.00 0.00 55.06 54.10 1x65 s HIS 83 Cb -0.13 -2.18 -0.02 0.00 -0.13 0.00 0.00 32.58 30.12 1x65 s HIS 83 CO -0.06 -0.72 -0.15 -1.54 -2.47 0.00 0.00 174.74 169.81 1x65 s SER 84 N 1.37 1.72 0.12 9.88 1.04 -1.26 -5.14 113.70 121.42 1x65 s SER 84 Ca -0.01 -0.34 -0.26 0.00 0.48 0.00 0.00 55.95 55.82 1x65 s SER 84 Cb -0.18 -0.16 0.08 0.00 0.10 0.00 0.00 66.02 65.85 1x65 s SER 84 CO 0.00 0.13 1.04 -0.83 0.98 0.00 0.00 173.24 174.57 1x65 s GLY 85 N -0.64 -0.20 -0.94 7.32 0.00 -1.26 -5.09 107.32 106.52 1x65 s GLY 85 Ca 0.04 0.14 -0.24 0.00 0.00 0.00 0.00 44.72 44.67 1x65 s GLY 85 CO 0.00 0.55 1.94 2.56 0.00 0.00 0.00 173.10 178.15 1x65 s PRO 86 N -2.89 2.56 0.17 2.90 0.04 -1.26 -4.62 135.00 131.90 1x65 s PRO 86 Ca 0.15 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.77 1x65 s PRO 86 Cb -0.00 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.45 1x65 s PRO 86 CO 0.02 -3.45 0.00 0.45 0.04 0.00 0.00 177.00 174.05 1x65 n SER 87 N 13.99 -4.60 -4.64 6.66 2.88 -1.26 -4.85 113.62 121.81 1x65 n SER 87 Ca 0.41 0.52 -0.48 0.00 -1.33 0.00 0.00 58.87 57.98 1x65 n SER 87 Cb 0.47 -1.36 -0.05 0.00 -0.75 0.00 0.00 64.21 62.52 1x65 n SER 87 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x65 n SER 88 N -0.43 2.57 0.00 -3.46 7.64 -1.26 -5.19 113.62 113.49 1x65 n SER 88 Ca 0.00 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1x65 n SER 88 Cb 0.00 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 1x65 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64