#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4d n SER 2 N 0.00 -5.72 -1.10 1.61 7.64 -1.26 -5.00 113.62 109.78 1x4d n SER 2 Ca 0.00 0.56 0.11 0.00 1.01 0.00 0.00 58.87 60.55 1x4d n SER 2 Cb 0.00 -3.01 -0.03 0.00 -1.01 0.00 0.00 64.21 60.16 1x4d n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4d n SER 3 N -3.47 -6.57 -2.06 6.43 7.64 -1.26 -4.89 113.62 109.43 1x4d n SER 3 Ca -0.01 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1x4d n SER 3 Cb 0.44 -2.44 0.00 0.00 -1.01 0.00 0.00 64.21 61.21 1x4d n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4d n GLY 4 N -2.36 -0.24 3.57 0.23 0.00 -1.26 -4.91 105.19 100.23 1x4d n GLY 4 Ca 0.01 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 1x4d n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4d s SER 5 N -1.00 5.36 -0.38 1.61 0.15 -1.26 -4.41 113.70 113.77 1x4d s SER 5 Ca 0.00 -1.55 -0.34 0.00 0.70 0.00 0.00 55.95 54.76 1x4d s SER 5 Cb 0.00 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.78 1x4d s SER 5 CO 0.00 -2.68 0.57 -1.20 1.20 0.00 0.00 173.24 171.13 1x4d n SER 6 N 13.24 -5.29 -4.31 5.45 7.64 -1.26 -4.84 113.62 124.25 1x4d n SER 6 Ca 0.44 -0.11 -0.45 0.00 1.01 0.00 0.00 58.87 59.77 1x4d n SER 6 Cb 0.47 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1x4d n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4d n GLY 7 N -0.03 4.22 3.64 0.23 0.00 -1.26 -4.94 105.19 107.05 1x4d n GLY 7 Ca -0.08 -2.49 -0.07 0.00 0.00 0.00 0.00 46.02 43.38 1x4d n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x4d s GLN 8 N -0.98 0.61 -1.15 1.61 -1.52 -1.26 -5.08 119.66 111.89 1x4d s GLN 8 Ca 0.33 1.00 -0.15 0.00 -1.95 0.00 0.00 55.36 54.59 1x4d s GLN 8 Cb -0.07 0.16 0.16 0.00 -0.22 0.00 0.00 33.01 33.04 1x4d s GLN 8 CO -0.04 -0.12 1.38 0.21 -0.25 0.00 0.00 175.29 176.47 1x4d s LYS 9 N 1.33 3.98 0.25 2.91 2.47 -1.26 -4.94 119.74 124.48 1x4d s LYS 9 Ca -0.08 -2.38 -0.15 0.00 -1.56 0.00 0.00 55.97 51.79 1x4d s LYS 9 Cb -0.05 -5.05 0.01 0.00 -1.46 0.00 0.00 37.83 31.28 1x4d s LYS 9 CO -0.15 -1.79 0.54 0.20 0.16 0.00 0.00 175.35 174.30 1x4d s GLY 10 N 3.06 0.30 0.32 5.54 0.00 -1.26 -5.18 107.32 110.10 1x4d s GLY 10 Ca 0.41 -0.66 0.10 0.00 0.00 0.00 0.00 44.72 44.57 1x4d s GLY 10 CO -0.02 -0.46 -0.12 0.50 0.00 0.00 0.00 173.10 173.01 1x4d s ARG 11 N -3.97 1.73 -0.16 2.90 1.81 -1.26 -5.15 118.95 114.84 1x4d s ARG 11 Ca 0.18 -1.87 -0.08 0.00 -1.72 0.00 0.00 55.73 52.24 1x4d s ARG 11 Cb -0.02 -1.63 0.06 0.00 -0.45 0.00 0.00 34.95 32.91 1x4d s ARG 11 CO 0.07 0.18 0.39 0.14 -0.68 0.00 0.00 175.30 175.39 1x4d s VAL 12 N -2.65 -0.09 -0.86 3.52 -7.23 -1.26 -5.10 120.40 106.74 1x4d s VAL 12 Ca 0.31 0.11 -0.01 0.00 -1.81 0.00 0.00 61.98 60.58 1x4d s VAL 12 Cb 0.01 -0.58 0.21 0.00 0.56 0.00 0.00 36.38 36.57 1x4d s VAL 12 CO 0.15 0.05 0.73 -1.61 -0.31 0.00 0.00 175.10 174.10 1x4d s GLU 13 N 1.51 3.14 -0.09 4.82 2.02 -1.26 -5.02 118.70 123.82 1x4d s GLU 13 Ca -0.09 -3.27 -0.00 0.00 0.02 0.00 0.00 54.97 51.63 1x4d s GLU 13 Cb -0.09 -3.87 0.02 0.00 0.10 0.00 0.00 34.13 30.29 1x4d s GLU 13 CO -0.12 -1.26 -0.05 -0.08 0.02 0.00 0.00 175.26 173.77 1x4d s THR 14 N -1.32 0.75 0.00 3.63 -1.32 -1.26 -5.10 115.64 111.01 1x4d s THR 14 Ca 0.27 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 1x4d s THR 14 Cb -0.07 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 1x4d s THR 14 CO -0.13 0.31 0.00 0.54 -2.21 0.00 0.00 174.62 173.14 1x4d n ARG 15 N 4.85 0.00 -3.37 7.08 5.12 -1.26 -4.78 116.66 124.31 1x4d n ARG 15 Ca -0.12 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.68 1x4d n ARG 15 Cb 0.50 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.72 1x4d n ARG 15 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1x4d s ARG 16 N 0.00 0.33 -0.33 5.56 3.00 -1.26 -4.37 118.95 121.88 1x4d s ARG 16 Ca 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 55.73 55.99 1x4d s ARG 16 Cb 0.00 -0.58 0.13 0.00 0.00 0.00 0.00 34.95 34.50 1x4d s ARG 16 CO 0.00 -0.80 0.19 0.08 0.00 0.00 0.00 175.30 174.77 1x4d s VAL 17 N 2.48 0.05 -0.45 3.52 1.01 -1.01 -3.41 120.40 122.59 1x4d s VAL 17 Ca 0.11 -1.40 -0.27 0.00 0.00 0.00 0.00 61.98 60.41 1x4d s VAL 17 Cb -0.15 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.20 1x4d s VAL 17 CO -0.22 -0.90 1.02 0.54 0.00 0.00 0.00 175.10 175.55 1x4d s VAL 18 N 1.39 4.37 -0.01 2.92 0.11 -0.08 0.21 120.40 129.32 1x4d s VAL 18 Ca 0.15 1.04 -0.22 0.00 -2.93 0.00 0.00 61.98 60.02 1x4d s VAL 18 Cb -0.21 -4.50 -0.05 0.00 -1.53 0.00 0.00 36.38 30.10 1x4d s VAL 18 CO -0.10 -0.86 0.64 -2.28 -3.33 0.00 0.00 175.10 169.17 1x4d s HIS 19 N 4.02 3.67 -0.06 1.54 2.46 0.24 -1.46 115.29 125.70 1x4d s HIS 19 Ca 0.42 1.26 0.02 0.00 0.47 0.00 0.00 55.06 57.23 1x4d s HIS 19 Cb -0.09 -2.68 0.02 0.00 -0.13 0.00 0.00 32.58 29.69 1x4d s HIS 19 CO 0.27 0.29 -0.09 0.42 -2.47 0.00 0.00 174.74 173.16 1x4d s ILE 20 N 0.01 0.93 0.25 0.89 1.01 0.35 -0.58 121.20 124.05 1x4d s ILE 20 Ca 0.33 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1x4d s ILE 20 Cb -0.19 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1x4d s ILE 20 CO 0.18 0.31 -0.00 -0.04 0.00 0.00 0.00 174.94 175.39 1x4d s MET 21 N 0.77 1.40 -0.26 2.79 -1.94 -0.94 -1.63 119.30 119.49 1x4d s MET 21 Ca -0.13 -1.72 0.00 0.00 -1.71 0.00 0.00 55.69 52.13 1x4d s MET 21 Cb -0.15 -0.71 0.00 0.00 2.01 0.00 0.00 34.83 35.98 1x4d s MET 21 CO 0.02 -0.09 0.00 -3.47 -0.01 0.00 0.00 175.02 171.47 1x4d n ASP 22 N -0.47 -3.53 -4.82 3.03 -0.08 -1.23 -1.36 116.55 108.09 1x4d n ASP 22 Ca -0.05 0.06 -0.36 0.00 -1.51 0.00 0.00 54.79 52.93 1x4d n ASP 22 Cb 0.64 -1.25 -0.07 0.00 2.34 0.00 0.00 41.12 42.78 1x4d n ASP 22 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1x4d s PHE 23 N -2.01 3.50 0.24 -0.67 -0.12 -1.26 -4.66 117.98 113.00 1x4d s PHE 23 Ca 0.00 0.43 -0.00 0.00 -0.05 0.00 0.00 56.93 57.31 1x4d s PHE 23 Cb 0.00 -1.97 0.05 0.00 -0.63 0.00 0.00 43.02 40.47 1x4d s PHE 23 CO 0.00 0.59 0.33 1.04 -0.05 0.00 0.00 175.22 177.14 1x4d n GLN 24 N 2.38 0.35 -4.33 1.99 1.13 -1.26 -4.69 117.38 112.95 1x4d n GLN 24 Ca -0.19 -0.89 -0.17 0.00 -1.94 0.00 0.00 57.00 53.81 1x4d n GLN 24 Cb 0.54 -0.23 -0.10 0.00 0.11 0.00 0.00 30.24 30.56 1x4d n GLN 24 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1x4d s ARG 25 N -3.30 1.37 0.00 -1.09 0.52 -1.26 -4.96 118.95 110.23 1x4d s ARG 25 Ca 0.22 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 53.72 1x4d s ARG 25 Cb -0.01 -0.49 0.00 0.00 0.52 0.00 0.00 34.95 34.97 1x4d s ARG 25 CO 0.15 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1x4d n GLY 26 N -0.44 -0.43 0.57 -3.53 0.00 -1.26 -4.99 105.19 95.10 1x4d n GLY 26 Ca -0.03 0.58 -0.04 0.00 0.00 0.00 0.00 46.02 46.53 1x4d n GLY 26 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x4d n LYS 27 N 0.00 0.10 -1.35 1.61 2.85 -1.26 -4.75 118.16 115.36 1x4d n LYS 27 Ca 0.00 0.04 -0.20 0.00 -1.05 0.00 0.00 58.31 57.10 1x4d n LYS 27 Cb 0.00 -0.81 0.11 0.00 -0.65 0.00 0.00 35.03 33.68 1x4d n LYS 27 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1x4d n ASN 28 N -3.01 4.66 0.11 -5.58 5.03 -1.26 -4.79 115.26 110.43 1x4d n ASN 28 Ca -0.09 -3.77 -0.05 0.00 0.87 0.00 0.00 54.58 51.54 1x4d n ASN 28 Cb 0.57 -0.65 -0.02 0.00 -1.02 0.00 0.00 39.78 38.65 1x4d n ASN 28 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1x4d h LEU 29 N 1.62 -0.30 -1.15 3.41 7.12 -1.93 -0.37 115.31 123.71 1x4d h LEU 29 Ca 0.40 0.01 0.38 0.00 0.13 0.00 0.00 57.88 58.80 1x4d h LEU 29 Cb 1.49 0.09 -0.10 0.00 -0.53 0.00 0.00 40.66 41.61 1x4d h LEU 29 CO 0.87 -0.19 0.76 -1.14 -0.13 0.00 0.00 178.44 178.61 1x4d n ARG 30 N -2.95 -0.02 0.00 1.25 0.63 -1.26 0.21 116.66 114.53 1x4d n ARG 30 Ca -0.04 0.92 -0.18 0.00 -0.92 0.00 0.00 57.85 57.64 1x4d n ARG 30 Cb 0.13 -1.88 -0.13 0.00 0.45 0.00 0.00 32.46 31.02 1x4d n ARG 30 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1x4d h TYR 31 N 0.00 0.39 -0.71 -0.14 3.20 -1.83 -2.50 116.97 115.37 1x4d h TYR 31 Ca 0.68 -0.26 0.16 0.00 3.14 0.00 0.00 58.73 62.45 1x4d h TYR 31 Cb 2.32 -0.03 -0.11 0.00 1.54 0.00 0.00 36.73 40.45 1x4d h TYR 31 CO -0.00 1.16 0.12 1.96 -1.64 0.00 0.00 178.16 179.75 1x4d h GLN 32 N -0.49 0.21 -0.10 1.82 1.08 0.43 0.54 115.11 118.60 1x4d h GLN 32 Ca -0.08 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.02 1x4d h GLN 32 Cb 1.35 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1x4d h GLN 32 CO 0.10 0.14 -0.28 -0.07 -0.95 0.00 0.00 178.83 177.77 1x4d h LEU 33 N 0.21 0.41 -2.51 1.46 3.38 -1.48 -3.07 115.31 113.71 1x4d h LEU 33 Ca 0.40 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1x4d h LEU 33 Cb 0.68 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1x4d h LEU 33 CO -0.53 0.94 -0.02 -0.07 0.09 0.00 0.00 178.44 178.84 1x4d h LEU 34 N -0.09 0.00 -0.25 1.67 3.38 -0.81 0.13 115.31 119.33 1x4d h LEU 34 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x4d h LEU 34 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1x4d h LEU 34 CO 0.06 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.61 1x4d n GLN 35 N -3.51 0.10 0.07 1.13 1.13 0.18 0.61 117.38 117.10 1x4d n GLN 35 Ca -0.03 0.28 0.12 0.00 -1.94 0.00 0.00 57.00 55.44 1x4d n GLN 35 Cb 0.11 -1.67 0.29 0.00 0.11 0.00 0.00 30.24 29.08 1x4d n GLN 35 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1x4d n LEU 36 N -1.85 0.71 0.00 1.08 4.77 0.03 -4.10 117.00 117.65 1x4d n LEU 36 Ca 0.04 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1x4d n LEU 36 Cb 0.24 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1x4d n LEU 36 CO 0.19 -0.10 -0.38 1.33 -1.33 0.00 0.00 177.39 177.11 1x4d n VAL 37 N -2.12 0.00 -0.09 4.08 0.24 -0.93 -4.73 118.33 114.78 1x4d n VAL 37 Ca 0.04 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.22 1x4d n VAL 37 Cb 0.43 0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 32.90 1x4d n VAL 37 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1x4d h GLU 38 N 0.00 -0.39 0.00 7.34 4.39 0.03 0.47 114.58 126.41 1x4d h GLU 38 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1x4d h GLU 38 Cb 0.12 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1x4d h GLU 38 CO 0.00 -0.26 0.00 -0.35 -1.16 0.00 0.00 179.01 177.24 1x4d n PRO 39 N -5.08 0.49 -0.01 2.33 -0.04 -1.26 -1.99 135.00 129.43 1x4d n PRO 39 Ca -0.04 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.50 1x4d n PRO 39 Cb 0.31 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 32.25 1x4d n PRO 39 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x4d n PHE 40 N -0.90 0.00 -0.20 0.54 3.72 0.14 -5.09 117.46 115.66 1x4d n PHE 40 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1x4d n PHE 40 Cb 0.04 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.22 1x4d n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x4d n GLY 41 N 1.64 -0.74 3.67 1.37 0.00 0.41 -4.50 105.19 107.04 1x4d n GLY 41 Ca -0.03 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 1x4d n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4d s VAL 42 N -3.94 4.06 -0.62 1.61 0.11 -1.26 -4.52 120.40 115.84 1x4d s VAL 42 Ca 0.00 -0.66 -0.23 0.00 -2.93 0.00 0.00 61.98 58.16 1x4d s VAL 42 Cb 0.00 -2.81 0.06 0.00 -1.53 0.00 0.00 36.38 32.10 1x4d s VAL 42 CO 0.00 0.36 0.94 -0.63 -3.33 0.00 0.00 175.10 172.44 1x4d s ILE 43 N -1.09 4.37 0.06 7.04 -1.09 -1.26 -2.68 121.20 126.55 1x4d s ILE 43 Ca 0.20 -0.20 -0.15 0.00 -2.23 0.00 0.00 60.65 58.27 1x4d s ILE 43 Cb -0.11 -4.62 -0.27 0.00 -1.58 0.00 0.00 42.46 35.87 1x4d s ILE 43 CO 0.10 -1.33 1.13 0.28 -1.23 0.00 0.00 174.94 173.90 1x4d h SER 44 N 9.46 0.90 -1.75 3.58 0.02 -1.26 -3.47 113.55 121.04 1x4d h SER 44 Ca -0.28 -0.80 0.21 0.00 -0.84 0.00 0.00 61.79 60.08 1x4d h SER 44 Cb 1.07 -0.28 -0.32 0.00 0.14 0.00 0.00 62.40 63.02 1x4d h SER 44 CO 1.14 1.60 0.68 0.20 -1.14 0.00 0.00 176.83 179.31 1x4d s ASN 45 N -7.39 -0.10 0.25 3.07 0.01 -0.92 -5.01 114.94 104.85 1x4d s ASN 45 Ca -0.10 0.16 0.09 0.00 -0.71 0.00 0.00 52.86 52.31 1x4d s ASN 45 Cb 0.06 1.06 -0.04 0.00 0.41 0.00 0.00 41.25 42.74 1x4d s ASN 45 CO 0.93 -0.02 0.00 -1.38 -1.51 0.00 0.00 177.10 175.12 1x4d s HIS 46 N 1.26 2.74 -0.03 2.20 -3.43 -1.26 0.46 115.29 117.22 1x4d s HIS 46 Ca -0.07 -0.20 -0.01 0.00 -0.80 0.00 0.00 55.06 53.98 1x4d s HIS 46 Cb -0.02 -1.24 0.03 0.00 -1.43 0.00 0.00 32.58 29.92 1x4d s HIS 46 CO -0.11 0.59 0.03 -1.17 -2.00 0.00 0.00 174.74 172.08 1x4d s LEU 47 N -3.54 0.77 -0.12 5.38 0.20 0.05 -4.92 118.68 116.50 1x4d s LEU 47 Ca 0.31 0.03 -0.01 0.00 0.69 0.00 0.00 54.13 55.14 1x4d s LEU 47 Cb -0.07 -0.16 0.03 0.00 -0.43 0.00 0.00 46.19 45.56 1x4d s LEU 47 CO 0.20 -0.16 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.43 1x4d s ILE 48 N 1.47 0.79 0.59 6.68 1.01 -1.26 -1.06 121.20 129.41 1x4d s ILE 48 Ca -0.04 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.27 1x4d s ILE 48 Cb -0.13 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1x4d s ILE 48 CO -0.03 0.23 0.97 -0.76 0.00 0.00 0.00 174.94 175.36 1x4d s LEU 49 N 1.79 3.32 0.00 2.97 1.43 -1.20 -4.99 118.68 121.99 1x4d s LEU 49 Ca 0.04 1.28 0.12 0.00 -1.03 0.00 0.00 54.13 54.53 1x4d s LEU 49 Cb -0.13 -4.30 0.08 0.00 0.03 0.00 0.00 46.19 41.87 1x4d s LEU 49 CO -0.07 -0.81 0.85 0.59 0.23 0.00 0.00 176.35 177.14 1x4d n ASN 50 N -2.63 1.91 0.07 2.29 4.13 -1.26 -4.51 115.26 115.26 1x4d n ASN 50 Ca 0.05 -1.46 -0.22 0.00 1.68 0.00 0.00 54.58 54.63 1x4d n ASN 50 Cb 0.54 0.06 -0.15 0.00 -1.54 0.00 0.00 39.78 38.69 1x4d n ASN 50 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1x4d h LYS 51 N 2.22 0.37 0.00 3.52 1.79 -1.97 -3.49 116.57 119.01 1x4d h LYS 51 Ca 0.00 -0.63 0.00 0.00 -2.18 0.00 0.00 60.65 57.84 1x4d h LYS 51 Cb 0.48 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1x4d h LYS 51 CO 0.00 1.28 0.00 0.44 -1.08 0.00 0.00 179.45 180.09 1x4d n ILE 52 N -3.56 0.00 -2.16 1.86 -0.00 -1.26 -5.06 119.36 109.17 1x4d n ILE 52 Ca -0.23 0.00 -0.38 0.00 -0.00 0.00 0.00 62.75 62.15 1x4d n ILE 52 Cb 1.07 0.00 0.03 0.00 -0.00 0.00 0.00 39.64 40.74 1x4d n ILE 52 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1x4d n ASN 53 N -1.38 6.96 -4.18 7.28 3.02 -1.26 -4.73 115.26 120.97 1x4d n ASN 53 Ca 0.00 -3.79 -0.34 0.00 -0.03 0.00 0.00 54.58 50.42 1x4d n ASN 53 Cb 0.00 -0.97 -0.15 0.00 -0.61 0.00 0.00 39.78 38.05 1x4d n ASN 53 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1x4d s GLU 54 N -4.01 3.09 0.14 3.52 2.02 -1.26 -3.50 118.70 118.69 1x4d s GLU 54 Ca 0.49 -0.78 0.06 0.00 0.02 0.00 0.00 54.97 54.77 1x4d s GLU 54 Cb 0.39 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1x4d s GLU 54 CO -0.33 -0.22 -0.15 0.00 0.02 0.00 0.00 175.26 174.59 1x4d s ALA 55 N 1.35 1.63 -0.12 5.21 0.00 -0.65 -3.25 121.76 125.94 1x4d s ALA 55 Ca 0.05 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.61 1x4d s ALA 55 Cb -0.14 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 22.95 1x4d s ALA 55 CO -0.10 0.12 0.17 -0.06 0.00 0.00 0.00 175.76 175.89 1x4d s PHE 56 N -2.22 -0.16 -0.17 0.00 0.40 -0.23 -0.50 117.98 115.10 1x4d s PHE 56 Ca 0.11 0.43 -0.08 0.00 -0.60 0.00 0.00 56.93 56.79 1x4d s PHE 56 Cb -0.04 -0.33 -0.04 0.00 0.51 0.00 0.00 43.02 43.11 1x4d s PHE 56 CO 0.04 -0.37 0.11 0.42 0.70 0.00 0.00 175.22 176.12 1x4d s ILE 57 N 2.28 5.22 -0.24 0.64 1.01 -0.53 -0.77 121.20 128.80 1x4d s ILE 57 Ca 0.04 0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 1x4d s ILE 57 Cb -0.13 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1x4d s ILE 57 CO -0.07 0.50 0.09 -0.70 0.00 0.00 0.00 174.94 174.76 1x4d s GLU 58 N -0.09 3.75 0.02 2.79 2.12 0.17 -0.91 118.70 126.56 1x4d s GLU 58 Ca 0.09 -0.43 -0.12 0.00 0.36 0.00 0.00 54.97 54.86 1x4d s GLU 58 Cb -0.12 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 1x4d s GLU 58 CO 0.00 -0.12 0.38 -1.64 -0.54 0.00 0.00 175.26 173.34 1x4d s MET 59 N 1.47 3.82 0.29 4.30 -1.94 -1.22 -0.78 119.30 125.23 1x4d s MET 59 Ca 0.06 0.28 0.17 0.00 -1.71 0.00 0.00 55.69 54.48 1x4d s MET 59 Cb -0.15 -3.14 0.91 0.00 2.01 0.00 0.00 34.83 34.46 1x4d s MET 59 CO 0.05 0.65 1.47 0.00 -0.01 0.00 0.00 175.02 177.18 1x4d n ALA 60 N 1.49 0.90 -3.71 3.03 0.00 -1.09 -4.37 120.51 116.77 1x4d n ALA 60 Ca -0.12 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1x4d n ALA 60 Cb 0.53 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 1x4d n ALA 60 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x4d s THR 61 N -3.41 -0.16 0.52 0.00 -4.23 -1.26 -5.02 115.64 102.09 1x4d s THR 61 Ca -0.02 0.20 0.29 0.00 -1.18 0.00 0.00 61.69 60.99 1x4d s THR 61 Cb 0.05 -0.38 0.47 0.00 1.34 0.00 0.00 72.50 73.97 1x4d s THR 61 CO 0.15 0.08 1.89 0.00 -0.54 0.00 0.00 174.62 176.21 1x4d h THR 62 N 6.04 0.58 -0.78 3.99 1.03 -1.76 0.19 112.91 122.19 1x4d h THR 62 Ca -0.32 -0.02 0.03 0.00 -0.01 0.00 0.00 66.41 66.09 1x4d h THR 62 Cb 1.14 0.52 -0.04 0.00 -1.07 0.00 0.00 68.15 68.70 1x4d h THR 62 CO 0.30 0.01 0.52 -0.33 -0.01 0.00 0.00 175.52 176.00 1x4d h GLU 63 N 0.05 0.95 0.38 0.00 4.39 -1.95 -0.59 114.58 117.82 1x4d h GLU 63 Ca 0.42 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 1x4d h GLU 63 Cb 1.60 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1x4d h GLU 63 CO -0.03 0.63 -0.18 -0.44 -1.16 0.00 0.00 179.01 177.82 1x4d h ASP 64 N 0.98 -0.44 -0.42 1.42 3.32 -0.85 -2.59 116.42 117.85 1x4d h ASP 64 Ca 0.31 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.46 1x4d h ASP 64 Cb 0.02 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 39.59 1x4d h ASP 64 CO -0.09 -0.19 -0.29 0.00 -1.72 0.00 0.00 179.24 176.95 1x4d h ALA 65 N -1.52 -0.08 -0.91 3.45 0.00 -1.49 0.46 119.26 119.17 1x4d h ALA 65 Ca -0.05 0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.18 1x4d h ALA 65 Cb 0.39 0.64 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 1x4d h ALA 65 CO 0.09 -0.67 0.46 1.96 0.00 0.00 0.00 179.25 181.09 1x4d h GLN 66 N -0.21 0.52 -0.57 0.00 4.20 -1.20 0.68 115.11 118.53 1x4d h GLN 66 Ca 0.19 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 1x4d h GLN 66 Cb 0.51 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1x4d h GLN 66 CO -0.54 0.35 0.10 0.00 -0.67 0.00 0.00 178.83 178.07 1x4d h ALA 67 N 1.66 0.76 -0.13 3.87 0.00 -0.54 -2.37 119.26 122.51 1x4d h ALA 67 Ca 0.55 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1x4d h ALA 67 Cb 0.94 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1x4d h ALA 67 CO -0.45 0.51 0.25 0.00 0.00 0.00 0.00 179.25 179.56 1x4d h ALA 68 N 1.01 1.57 0.17 0.00 0.00 0.37 -1.02 119.26 121.35 1x4d h ALA 68 Ca 0.18 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 1x4d h ALA 68 Cb 0.41 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.23 1x4d h ALA 68 CO 0.01 -0.32 -1.22 0.28 0.00 0.00 0.00 179.25 178.01 1x4d h VAL 69 N 0.00 1.28 0.00 0.00 2.07 -1.17 -3.27 116.25 115.16 1x4d h VAL 69 Ca 0.06 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1x4d h VAL 69 Cb 0.56 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1x4d h VAL 69 CO -0.00 0.75 0.02 -0.78 0.02 0.00 0.00 177.57 177.58 1x4d h ASP 70 N -0.19 0.00 1.33 0.57 3.58 -1.05 0.18 116.42 120.84 1x4d h ASP 70 Ca -0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.22 1x4d h ASP 70 Cb 1.84 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.89 1x4d h ASP 70 CO 0.16 0.00 -0.59 0.22 -2.88 0.00 0.00 179.24 176.15 1x4d h TYR 71 N 0.00 0.00 0.00 0.28 3.20 -1.56 -3.19 116.97 115.71 1x4d h TYR 71 Ca 0.00 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.67 1x4d h TYR 71 Cb 0.04 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1x4d h TYR 71 CO 0.00 0.00 -1.33 -0.92 -1.64 0.00 0.00 178.16 174.27 1x4d h TYR 72 N 0.00 0.00 0.02 -3.82 3.20 -0.71 -1.40 116.97 114.25 1x4d h TYR 72 Ca 0.00 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.66 1x4d h TYR 72 Cb 0.96 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 1x4d h TYR 72 CO 0.00 0.74 -0.97 0.00 -1.64 0.00 0.00 178.16 176.29 1x4d h THR 73 N 0.00 1.61 0.00 1.81 1.03 -1.57 -3.33 112.91 112.46 1x4d h THR 73 Ca -0.16 -3.06 -0.33 0.00 -0.01 0.00 0.00 66.41 62.85 1x4d h THR 73 Cb 1.70 2.70 -0.06 0.00 -1.07 0.00 0.00 68.15 71.43 1x4d h THR 73 CO 0.07 0.88 -2.06 0.35 -0.01 0.00 0.00 175.52 174.75 1x4d n THR 74 N -3.49 1.50 -4.33 0.00 -2.24 -1.20 -4.94 114.28 99.57 1x4d n THR 74 Ca -0.02 -0.83 -0.18 0.00 -2.27 0.00 0.00 64.05 60.75 1x4d n THR 74 Cb 0.89 -0.75 -0.15 0.00 -2.10 0.00 0.00 70.33 68.22 1x4d n THR 74 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x4d s THR 75 N -2.54 0.67 -0.06 4.28 2.01 -0.53 -5.10 115.64 114.37 1x4d s THR 75 Ca -0.07 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 1x4d s THR 75 Cb 0.07 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 1x4d s THR 75 CO 0.83 0.20 1.50 -2.16 -0.69 0.00 0.00 174.62 174.29 1x4d s PRO 76 N -0.09 4.22 -1.03 4.92 0.04 -1.26 -3.67 135.00 138.13 1x4d s PRO 76 Ca 0.02 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 1x4d s PRO 76 Cb -0.04 -3.81 0.09 0.00 0.04 0.00 0.00 34.50 30.78 1x4d s PRO 76 CO -0.00 -0.74 1.36 0.00 0.04 0.00 0.00 177.00 177.66 1x4d s ALA 77 N 3.42 3.11 -0.52 8.56 0.00 -1.26 -4.97 121.76 130.10 1x4d s ALA 77 Ca 0.67 -2.60 -0.27 0.00 0.00 0.00 0.00 51.96 49.76 1x4d s ALA 77 Cb -0.30 -4.33 0.03 0.00 0.00 0.00 0.00 23.12 18.51 1x4d s ALA 77 CO 0.25 -3.29 1.04 -0.51 0.00 0.00 0.00 175.76 173.26 1x4d s LEU 78 N 3.80 3.81 -0.25 0.00 1.43 -1.26 -2.36 118.68 123.85 1x4d s LEU 78 Ca 0.42 0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.42 1x4d s LEU 78 Cb -0.02 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1x4d s LEU 78 CO -0.07 -1.25 0.40 -0.69 0.23 0.00 0.00 176.35 174.97 1x4d s VAL 79 N 4.26 5.16 0.00 -1.59 1.01 0.40 -4.06 120.40 125.58 1x4d s VAL 79 Ca 0.39 0.66 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1x4d s VAL 79 Cb -0.09 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1x4d s VAL 79 CO 0.25 0.17 0.00 0.49 0.00 0.00 0.00 175.10 176.01 1x4d n PHE 80 N 5.14 0.00 0.00 5.22 3.72 -1.26 -1.63 117.46 128.64 1x4d n PHE 80 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1x4d n PHE 80 Cb 0.51 -1.18 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 1x4d n PHE 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x4d n GLY 81 N -1.24 2.20 3.69 1.37 0.00 -1.26 -5.10 105.19 104.85 1x4d n GLY 81 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1x4d n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4d s LYS 82 N -0.05 2.68 0.55 1.61 0.00 -0.65 -4.96 119.74 118.93 1x4d s LYS 82 Ca 0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 55.97 55.06 1x4d s LYS 82 Cb 0.00 -2.61 -0.05 0.00 0.00 0.00 0.00 37.83 35.17 1x4d s LYS 82 CO 0.00 0.58 1.13 -1.25 0.00 0.00 0.00 175.35 175.81 1x4d s PRO 83 N -1.93 3.30 0.12 1.78 0.04 -1.26 0.15 135.00 137.20 1x4d s PRO 83 Ca 0.23 1.59 0.02 0.00 0.04 0.00 0.00 61.00 62.88 1x4d s PRO 83 Cb -0.12 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1x4d s PRO 83 CO 0.14 -0.89 0.10 1.33 0.04 0.00 0.00 177.00 177.73 1x4d n VAL 84 N -1.41 0.00 -4.80 -0.36 0.24 -1.00 -4.79 118.33 106.22 1x4d n VAL 84 Ca 0.11 -0.83 -0.33 0.00 -2.04 0.00 0.00 64.34 61.26 1x4d n VAL 84 Cb 0.51 0.42 -0.13 0.00 -1.47 0.00 0.00 33.84 33.17 1x4d n VAL 84 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1x4d s ARG 85 N -2.46 2.49 -0.10 7.34 0.52 -0.46 -4.72 118.95 121.55 1x4d s ARG 85 Ca 0.14 -0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1x4d s ARG 85 Cb 0.01 -2.39 0.03 0.00 0.52 0.00 0.00 34.95 33.12 1x4d s ARG 85 CO 0.10 0.62 -0.01 0.08 0.02 0.00 0.00 175.30 176.10 1x4d s VAL 86 N -0.79 0.59 0.27 3.52 1.01 -1.26 -2.23 120.40 121.51 1x4d s VAL 86 Ca 0.12 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1x4d s VAL 86 Cb -0.11 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.45 1x4d s VAL 86 CO 0.02 0.21 -0.04 -1.00 0.00 0.00 0.00 175.10 174.29 1x4d s HIS 87 N 1.88 1.84 -0.81 5.22 3.76 0.26 -4.94 115.29 122.49 1x4d s HIS 87 Ca 0.04 -0.77 -0.06 0.00 -0.15 0.00 0.00 55.06 54.13 1x4d s HIS 87 Cb -0.13 -1.06 0.21 0.00 1.11 0.00 0.00 32.58 32.70 1x4d s HIS 87 CO -0.06 0.18 0.70 -1.17 -0.85 0.00 0.00 174.74 173.54 1x4d s LEU 88 N -3.41 5.79 0.00 0.89 1.98 -1.26 -0.59 118.68 122.08 1x4d s LEU 88 Ca 0.29 -3.20 -0.07 0.00 -2.89 0.00 0.00 54.13 48.26 1x4d s LEU 88 Cb 0.04 -1.99 0.12 0.00 0.66 0.00 0.00 46.19 45.02 1x4d s LEU 88 CO 0.11 -0.34 0.71 -1.20 -1.89 0.00 0.00 176.35 173.74 1x4d n SER 89 N 3.11 0.24 -2.77 3.68 7.64 0.58 -4.91 113.62 121.18 1x4d n SER 89 Ca 0.15 -1.37 -0.10 0.00 1.01 0.00 0.00 58.87 58.57 1x4d n SER 89 Cb 0.40 -0.53 0.08 0.00 -1.01 0.00 0.00 64.21 63.15 1x4d n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4d n GLN 90 N -2.47 1.06 -3.58 1.43 0.00 -1.25 -2.41 117.38 110.15 1x4d n GLN 90 Ca 0.09 -2.12 -0.18 0.00 0.00 0.00 0.00 57.00 54.79 1x4d n GLN 90 Cb 0.33 -0.91 -0.04 0.00 0.00 0.00 0.00 30.24 29.62 1x4d n GLN 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1x4d n LYS 91 N 0.13 1.00 -3.20 2.61 5.02 -1.26 -4.93 118.16 117.54 1x4d n LYS 91 Ca 0.06 -2.23 -0.07 0.00 -2.02 0.00 0.00 58.31 54.06 1x4d n LYS 91 Cb 0.73 0.86 0.02 0.00 -0.02 0.00 0.00 35.03 36.63 1x4d n LYS 91 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1x4d n TYR 92 N -0.69 -2.73 -1.56 2.13 4.01 -1.26 -4.81 117.16 112.25 1x4d n TYR 92 Ca -0.09 1.01 -0.46 0.00 -0.16 0.00 0.00 57.90 58.20 1x4d n TYR 92 Cb 0.39 -3.97 -0.04 0.00 -0.31 0.00 0.00 39.34 35.40 1x4d n TYR 92 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1x4d n LYS 93 N -2.32 1.75 -2.52 -0.72 4.01 -1.26 -3.33 118.16 113.77 1x4d n LYS 93 Ca -0.05 0.51 -0.05 0.00 -0.51 0.00 0.00 58.31 58.21 1x4d n LYS 93 Cb 0.55 -2.94 0.01 0.00 -0.51 0.00 0.00 35.03 32.14 1x4d n LYS 93 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1x4d n ARG 94 N 8.35 -1.95 -2.24 1.97 1.74 -1.26 -4.92 116.66 118.35 1x4d n ARG 94 Ca 0.32 1.82 -0.42 0.00 -0.77 0.00 0.00 57.85 58.80 1x4d n ARG 94 Cb 0.37 -4.65 -0.03 0.00 -1.02 0.00 0.00 32.46 27.13 1x4d n ARG 94 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x4d s ILE 95 N -2.09 3.78 0.00 0.55 1.01 -1.21 -4.41 121.20 118.83 1x4d s ILE 95 Ca 0.16 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.95 1x4d s ILE 95 Cb -0.05 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1x4d s ILE 95 CO 0.59 -0.01 0.00 2.29 0.00 0.00 0.00 174.94 177.81 1x4d n LYS 96 N 5.51 0.00 0.27 2.79 2.85 -1.26 -4.85 118.16 123.48 1x4d n LYS 96 Ca 0.13 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.27 1x4d n LYS 96 Cb 0.44 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.76 1x4d n LYS 96 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1x4d h SER 97 N 0.00 -0.71 0.00 -5.58 0.87 -1.96 -3.48 113.55 102.68 1x4d h SER 97 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1x4d h SER 97 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1x4d h SER 97 CO 0.00 -0.45 0.00 0.61 -0.53 0.00 0.00 176.83 176.46 1x4d n GLY 98 N -1.37 1.32 0.02 5.77 0.00 -1.26 -4.62 105.19 105.05 1x4d n GLY 98 Ca -0.09 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.22 1x4d n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4d n PRO 99 N 0.00 0.03 -1.26 1.61 -0.04 -1.26 -4.95 135.00 129.13 1x4d n PRO 99 Ca 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1x4d n PRO 99 Cb 0.00 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1x4d n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4d n SER 100 N -1.61 -1.91 -3.27 3.54 2.88 -1.26 -5.10 113.62 106.89 1x4d n SER 100 Ca 0.03 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.52 1x4d n SER 100 Cb 0.18 -0.96 -0.05 0.00 -0.75 0.00 0.00 64.21 62.63 1x4d n SER 100 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4d s SER 101 N 0.00 -0.23 0.00 -3.46 0.01 -1.26 -5.18 113.70 103.57 1x4d s SER 101 Ca 0.00 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1x4d s SER 101 Cb 0.00 1.41 0.00 0.00 0.21 0.00 0.00 66.02 67.64 1x4d s SER 101 CO 0.00 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.95