#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 -8.93 -4.76 1.61 2.88 -1.26 -5.01 113.62 98.15 1x4d n SER 2 Ca 0.00 1.56 -0.25 0.00 -1.33 0.00 0.00 58.87 58.84 1x4d n SER 2 Cb 0.00 -4.94 0.09 0.00 -0.75 0.00 0.00 64.21 58.62 1x4d n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4d s SER 3 N -0.53 4.50 -0.25 -3.46 0.15 -1.26 -5.11 113.70 107.73 1x4d s SER 3 Ca 0.00 0.21 -0.12 0.00 0.70 0.00 0.00 55.95 56.74 1x4d s SER 3 Cb 0.00 -0.73 0.09 0.00 -1.71 0.00 0.00 66.02 63.67 1x4d s SER 3 CO 0.00 -1.79 0.59 -0.83 1.20 0.00 0.00 173.24 172.42 1x4d s GLY 4 N -4.61 -0.57 -0.18 9.45 0.00 -1.26 -5.15 107.32 104.99 1x4d s GLY 4 Ca 0.63 2.13 -0.09 0.00 0.00 0.00 0.00 44.72 47.39 1x4d s GLY 4 CO 0.45 2.45 0.43 -1.35 0.00 0.00 0.00 173.10 175.08 1x4d s SER 5 N 2.05 -0.51 -0.36 1.64 1.04 -1.26 -5.11 113.70 111.19 1x4d s SER 5 Ca -0.08 0.94 0.02 0.00 0.48 0.00 0.00 55.95 57.31 1x4d s SER 5 Cb -0.08 0.89 0.15 0.00 0.10 0.00 0.00 66.02 67.07 1x4d s SER 5 CO -0.18 -0.20 0.31 -0.44 0.98 0.00 0.00 173.24 173.72 1x4d s SER 6 N 1.58 1.84 -0.06 7.02 0.01 -1.26 -5.05 113.70 117.79 1x4d s SER 6 Ca -0.09 -1.78 -0.05 0.00 1.31 0.00 0.00 55.95 55.35 1x4d s SER 6 Cb -0.09 0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.37 1x4d s SER 6 CO -0.13 -0.28 0.10 0.61 0.41 0.00 0.00 173.24 173.94 1x4d n GLY 7 N 4.20 -3.96 3.70 3.44 0.00 -1.26 -4.79 105.19 106.52 1x4d n GLY 7 Ca 0.11 0.73 -0.42 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.45 4.13 0.30 1.61 -0.21 -1.26 -5.00 119.66 118.79 1x4d s GLN 8 Ca -0.11 2.60 0.10 0.00 0.02 0.00 0.00 55.36 57.97 1x4d s GLN 8 Cb 0.01 -3.47 -0.05 0.00 1.00 0.00 0.00 33.01 30.50 1x4d s GLN 8 CO 0.30 -0.82 -0.06 -1.59 -2.12 0.00 0.00 175.29 171.00 1x4d s LYS 9 N 2.35 2.01 0.00 2.91 -2.85 -1.26 -5.02 119.74 117.88 1x4d s LYS 9 Ca 0.79 -1.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.09 1x4d s LYS 9 Cb -0.47 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.36 1x4d s LYS 9 CO 0.35 0.26 0.00 0.41 0.10 0.00 0.00 175.35 176.47 1x4d n GLY 10 N -0.83 1.66 0.00 0.59 0.00 -1.26 -4.76 105.19 100.59 1x4d n GLY 10 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1x4d n GLY 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x4d n ARG 11 N 6.97 0.00 -3.42 1.61 0.63 -1.26 -5.15 116.66 116.03 1x4d n ARG 11 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1x4d n ARG 11 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 1x4d n ARG 11 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1x4d s VAL 12 N -2.00 -0.41 -0.62 5.15 -7.23 -1.26 -5.10 120.40 108.93 1x4d s VAL 12 Ca 0.00 -0.28 -0.27 0.00 -1.81 0.00 0.00 61.98 59.63 1x4d s VAL 12 Cb 0.00 -0.84 -0.01 0.00 0.56 0.00 0.00 36.38 36.08 1x4d s VAL 12 CO 0.00 -0.31 1.77 -1.61 -0.31 0.00 0.00 175.10 174.64 1x4d s GLU 13 N 2.38 2.75 0.40 4.82 8.01 -1.26 -4.94 118.70 130.86 1x4d s GLU 13 Ca 0.09 0.52 0.04 0.00 0.01 0.00 0.00 54.97 55.63 1x4d s GLU 13 Cb -0.15 -4.35 -0.02 0.00 -4.31 0.00 0.00 34.13 25.30 1x4d s GLU 13 CO -0.22 -2.60 0.14 0.95 0.01 0.00 0.00 175.26 173.54 1x4d s THR 14 N 8.47 0.55 0.38 3.63 -4.23 -1.26 -5.08 115.64 118.09 1x4d s THR 14 Ca 0.63 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.01 1x4d s THR 14 Cb -0.12 -2.36 -0.11 0.00 1.34 0.00 0.00 72.50 71.25 1x4d s THR 14 CO 0.20 0.00 -0.11 0.54 -0.54 0.00 0.00 174.62 174.72 1x4d n ARG 15 N -0.88 0.00 -3.65 3.99 1.74 -1.26 -4.57 116.66 112.03 1x4d n ARG 15 Ca -0.05 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.64 1x4d n ARG 15 Cb 0.65 -0.72 -0.11 0.00 -1.02 0.00 0.00 32.46 31.26 1x4d n ARG 15 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x4d s ARG 16 N -0.76 2.58 -0.32 5.56 3.00 -1.26 -4.82 118.95 122.93 1x4d s ARG 16 Ca 0.41 -1.40 -0.02 0.00 0.00 0.00 0.00 55.73 54.72 1x4d s ARG 16 Cb -0.35 -3.69 0.12 0.00 0.00 0.00 0.00 34.95 31.03 1x4d s ARG 16 CO 0.48 -0.88 0.19 0.08 0.00 0.00 0.00 175.30 175.17 1x4d s VAL 17 N 1.41 -0.02 -0.41 3.52 1.01 -1.21 -3.32 120.40 121.38 1x4d s VAL 17 Ca 0.02 -1.18 -0.24 0.00 0.00 0.00 0.00 61.98 60.59 1x4d s VAL 17 Cb -0.22 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1x4d s VAL 17 CO 0.02 -0.82 0.82 0.54 0.00 0.00 0.00 175.10 175.66 1x4d s VAL 18 N 1.62 4.65 0.02 2.92 0.11 -0.22 0.15 120.40 129.65 1x4d s VAL 18 Ca 0.14 0.75 -0.22 0.00 -2.93 0.00 0.00 61.98 59.72 1x4d s VAL 18 Cb -0.19 -4.29 -0.05 0.00 -1.53 0.00 0.00 36.38 30.32 1x4d s VAL 18 CO -0.18 -0.59 0.65 -2.28 -3.33 0.00 0.00 175.10 169.37 1x4d s HIS 19 N 3.29 3.71 -0.05 1.54 2.46 -0.24 -1.51 115.29 124.49 1x4d s HIS 19 Ca 0.32 1.29 0.03 0.00 0.47 0.00 0.00 55.06 57.17 1x4d s HIS 19 Cb -0.12 -2.67 0.01 0.00 -0.13 0.00 0.00 32.58 29.67 1x4d s HIS 19 CO 0.20 0.34 -0.12 0.42 -2.47 0.00 0.00 174.74 173.11 1x4d s ILE 20 N -0.21 1.09 0.00 0.89 1.01 0.56 -1.20 121.20 123.34 1x4d s ILE 20 Ca 0.33 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1x4d s ILE 20 Cb -0.19 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1x4d s ILE 20 CO 0.19 0.34 0.00 0.23 0.00 0.00 0.00 174.94 175.70 1x4d n MET 21 N 3.55 0.95 -1.40 2.79 2.81 -1.06 -1.79 117.12 122.96 1x4d n MET 21 Ca -0.21 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.60 1x4d n MET 21 Cb 0.53 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.00 1x4d n MET 21 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1x4d n ASP 22 N -1.86 -2.27 -4.71 7.83 8.00 -1.25 -3.11 116.55 119.18 1x4d n ASP 22 Ca 0.00 0.22 -0.35 0.00 0.71 0.00 0.00 54.79 55.36 1x4d n ASP 22 Cb 0.00 -2.26 -0.09 0.00 -0.02 0.00 0.00 41.12 38.75 1x4d n ASP 22 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1x4d s PHE 23 N -1.79 3.34 0.71 1.24 -0.12 -1.26 -4.50 117.98 115.60 1x4d s PHE 23 Ca 0.00 0.24 0.01 0.00 -0.05 0.00 0.00 56.93 57.13 1x4d s PHE 23 Cb 0.00 -2.00 0.13 0.00 -0.63 0.00 0.00 43.02 40.52 1x4d s PHE 23 CO 0.00 0.37 0.98 -0.65 -0.05 0.00 0.00 175.22 175.87 1x4d s GLN 24 N -0.22 1.69 0.29 1.99 -1.52 -1.26 -4.63 119.66 116.00 1x4d s GLN 24 Ca 0.08 -1.26 0.05 0.00 -1.95 0.00 0.00 55.36 52.28 1x4d s GLN 24 Cb -0.12 -2.37 -0.06 0.00 -0.22 0.00 0.00 33.01 30.24 1x4d s GLN 24 CO 0.01 -1.42 0.01 1.03 -0.25 0.00 0.00 175.29 174.67 1x4d s ARG 25 N -5.09 1.56 0.00 2.91 0.52 -1.26 -4.99 118.95 112.60 1x4d s ARG 25 Ca 0.67 -1.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.05 1x4d s ARG 25 Cb -0.05 -0.92 0.00 0.00 0.52 0.00 0.00 34.95 34.51 1x4d s ARG 25 CO 0.44 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.07 1x4d n GLY 26 N -0.60 -0.91 3.40 -3.53 0.00 -1.26 -5.04 105.19 97.24 1x4d n GLY 26 Ca -0.04 0.55 -0.37 0.00 0.00 0.00 0.00 46.02 46.16 1x4d n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4d s LYS 27 N 0.00 3.43 -1.18 1.61 2.20 -1.26 -4.49 119.74 120.04 1x4d s LYS 27 Ca 0.00 -0.62 -0.06 0.00 -0.36 0.00 0.00 55.97 54.93 1x4d s LYS 27 Cb 0.00 -3.31 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1x4d s LYS 27 CO 0.00 -0.28 0.74 0.09 -0.36 0.00 0.00 175.35 175.54 1x4d n ASN 28 N 4.89 -5.44 0.36 1.43 3.02 -1.26 -4.94 115.26 113.33 1x4d n ASN 28 Ca -0.16 -0.34 -0.17 0.00 -0.03 0.00 0.00 54.58 53.88 1x4d n ASN 28 Cb 0.50 -4.16 -0.09 0.00 -0.61 0.00 0.00 39.78 35.43 1x4d n ASN 28 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1x4d h LEU 29 N -1.68 -0.77 -1.09 3.41 7.12 -1.94 -2.36 115.31 117.98 1x4d h LEU 29 Ca -0.45 0.00 0.32 0.00 0.13 0.00 0.00 57.88 57.88 1x4d h LEU 29 Cb 1.30 0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 41.59 1x4d h LEU 29 CO 0.46 -0.49 1.24 -1.14 -0.13 0.00 0.00 178.44 178.37 1x4d n ARG 30 N -5.45 0.01 0.06 1.25 0.63 -1.26 0.21 116.66 112.12 1x4d n ARG 30 Ca -0.13 1.02 -0.23 0.00 -0.92 0.00 0.00 57.85 57.59 1x4d n ARG 30 Cb 0.38 -2.53 -0.15 0.00 0.45 0.00 0.00 32.46 30.61 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 0.68 -0.88 -0.14 5.03 -1.82 -2.86 116.97 116.98 1x4d h TYR 31 Ca 0.52 -0.50 0.17 0.00 2.58 0.00 0.00 58.73 61.50 1x4d h TYR 31 Cb 2.99 -0.03 -0.07 0.00 1.55 0.00 0.00 36.73 41.17 1x4d h TYR 31 CO 0.00 1.67 0.57 1.96 -1.32 0.00 0.00 178.16 181.04 1x4d h GLN 32 N 0.04 0.54 0.08 1.82 1.08 0.29 0.74 115.11 119.70 1x4d h GLN 32 Ca -0.34 -0.03 -0.18 0.00 -1.45 0.00 0.00 58.65 56.65 1x4d h GLN 32 Cb 2.05 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.36 1x4d h GLN 32 CO 0.16 0.35 -0.87 -0.07 -0.95 0.00 0.00 178.83 177.45 1x4d h LEU 33 N 0.55 0.28 -2.13 1.46 3.38 -1.59 -3.32 115.31 113.95 1x4d h LEU 33 Ca 0.45 -0.88 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1x4d h LEU 33 Cb 0.90 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1x4d h LEU 33 CO -0.19 1.39 -0.04 -0.07 0.09 0.00 0.00 178.44 179.62 1x4d h LEU 34 N -0.57 0.00 -0.17 1.67 3.38 -1.16 -1.19 115.31 117.27 1x4d h LEU 34 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1x4d h LEU 34 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1x4d h LEU 34 CO 0.05 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1x4d n GLN 35 N -3.27 0.10 0.08 1.13 -0.00 0.25 0.39 117.38 116.06 1x4d n GLN 35 Ca -0.01 0.22 0.13 0.00 -0.00 0.00 0.00 57.00 57.34 1x4d n GLN 35 Cb 0.20 -1.65 0.36 0.00 -0.00 0.00 0.00 30.24 29.15 1x4d n GLN 35 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1x4d n LEU 36 N -1.83 0.71 0.00 2.61 4.77 -0.45 -4.09 117.00 118.72 1x4d n LEU 36 Ca 0.04 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1x4d n LEU 36 Cb 0.28 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1x4d n LEU 36 CO 0.22 -0.13 -0.35 1.33 -1.33 0.00 0.00 177.39 177.13 1x4d n VAL 37 N -2.14 0.00 -0.16 4.08 0.24 -1.03 -4.73 118.33 114.59 1x4d n VAL 37 Ca 0.05 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.23 1x4d n VAL 37 Cb 0.42 -0.27 -0.09 0.00 -1.47 0.00 0.00 33.84 32.44 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 -0.28 0.00 7.34 4.39 -0.21 0.66 114.58 126.48 1x4d h GLU 38 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1x4d h GLU 38 Cb 0.41 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1x4d h GLU 38 CO 0.00 -0.19 0.00 -0.35 -1.16 0.00 0.00 179.01 177.31 1x4d n PRO 39 N -5.04 0.48 -0.00 2.33 -0.04 -1.26 -1.80 135.00 129.67 1x4d n PRO 39 Ca -0.02 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1x4d n PRO 39 Cb 0.29 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.98 0.00 0.00 0.54 3.01 0.21 -5.08 117.46 115.16 1x4d n PHE 40 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1x4d n PHE 40 Cb 0.05 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1x4d n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x4d n GLY 41 N 1.37 -0.67 3.64 1.37 0.00 -0.06 -4.54 105.19 106.29 1x4d n GLY 41 Ca 0.03 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.00 3.78 -0.13 1.61 0.11 -1.26 -4.59 120.40 115.92 1x4d s VAL 42 Ca 0.00 -1.02 -0.19 0.00 -2.93 0.00 0.00 61.98 57.84 1x4d s VAL 42 Cb 0.00 -2.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.05 1x4d s VAL 42 CO 0.00 0.17 0.52 -0.63 -3.33 0.00 0.00 175.10 171.83 1x4d s ILE 43 N -1.23 5.15 -0.18 7.04 -1.09 -1.26 -3.11 121.20 126.52 1x4d s ILE 43 Ca 0.23 1.03 -0.06 0.00 -2.23 0.00 0.00 60.65 59.63 1x4d s ILE 43 Cb -0.11 -3.86 -0.09 0.00 -1.58 0.00 0.00 42.46 36.82 1x4d s ILE 43 CO 0.15 0.28 -0.21 -1.20 -1.23 0.00 0.00 174.94 172.73 1x4d n SER 44 N 3.96 1.78 -3.58 3.58 7.64 -0.46 -4.86 113.62 121.68 1x4d n SER 44 Ca -0.05 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1x4d n SER 44 Cb 0.51 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 1x4d n SER 44 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1x4d s ASN 45 N -6.32 -0.31 0.38 6.43 0.01 -0.99 -5.01 114.94 109.14 1x4d s ASN 45 Ca -0.25 0.47 0.08 0.00 -0.71 0.00 0.00 52.86 52.45 1x4d s ASN 45 Cb 0.09 1.18 -0.07 0.00 0.41 0.00 0.00 41.25 42.85 1x4d s ASN 45 CO 0.35 -0.07 -0.03 -1.38 -1.51 0.00 0.00 177.10 174.46 1x4d s HIS 46 N 1.41 2.47 -0.09 2.20 -3.43 -1.26 0.75 115.29 117.34 1x4d s HIS 46 Ca -0.07 -0.59 -0.06 0.00 -0.80 0.00 0.00 55.06 53.54 1x4d s HIS 46 Cb -0.03 -1.61 0.04 0.00 -1.43 0.00 0.00 32.58 29.55 1x4d s HIS 46 CO -0.13 0.50 0.22 -1.17 -2.00 0.00 0.00 174.74 172.16 1x4d s LEU 47 N -3.67 0.72 -0.27 5.38 0.20 0.19 -4.80 118.68 116.43 1x4d s LEU 47 Ca 0.34 0.46 -0.02 0.00 0.69 0.00 0.00 54.13 55.60 1x4d s LEU 47 Cb 0.06 0.68 0.09 0.00 -0.43 0.00 0.00 46.19 46.59 1x4d s LEU 47 CO 0.18 -0.13 0.08 -0.63 -0.29 0.00 0.00 176.35 175.55 1x4d s ILE 48 N 0.86 0.61 0.25 6.68 1.01 -1.26 -0.56 121.20 128.78 1x4d s ILE 48 Ca -0.06 -1.01 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 1x4d s ILE 48 Cb -0.08 -1.34 -0.10 0.00 0.01 0.00 0.00 42.46 40.95 1x4d s ILE 48 CO -0.05 -0.52 1.51 -0.76 0.00 0.00 0.00 174.94 175.12 1x4d s LEU 49 N 1.77 4.37 -0.29 2.97 1.43 -1.09 -4.89 118.68 122.95 1x4d s LEU 49 Ca 0.06 2.74 0.01 0.00 -1.03 0.00 0.00 54.13 55.91 1x4d s LEU 49 Cb -0.17 -3.62 0.35 0.00 0.03 0.00 0.00 46.19 42.77 1x4d s LEU 49 CO -0.21 -0.79 1.66 -3.20 0.23 0.00 0.00 176.35 174.04 1x4d n ASN 50 N 2.60 4.31 -0.01 2.29 5.15 -1.26 -3.99 115.26 124.35 1x4d n ASN 50 Ca 0.09 -2.99 -0.01 0.00 -0.60 0.00 0.00 54.58 51.07 1x4d n ASN 50 Cb 0.39 -0.79 -0.01 0.00 -0.53 0.00 0.00 39.78 38.85 1x4d n ASN 50 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1x4d n LYS 51 N -0.28 0.04 -2.20 1.20 4.76 -1.26 -5.11 118.16 115.30 1x4d n LYS 51 Ca 0.34 0.01 -0.02 0.00 -2.87 0.00 0.00 58.31 55.78 1x4d n LYS 51 Cb 1.01 -0.87 -0.01 0.00 -1.84 0.00 0.00 35.03 33.32 1x4d n LYS 51 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1x4d n ILE 52 N -2.72 0.00 -1.47 -0.18 -0.00 -1.26 -5.04 119.36 108.69 1x4d n ILE 52 Ca -0.03 -0.21 -0.27 0.00 -0.00 0.00 0.00 62.75 62.24 1x4d n ILE 52 Cb 0.53 0.10 -0.05 0.00 -0.00 0.00 0.00 39.64 40.21 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 -2.59 6.47 -4.32 7.28 3.02 -1.26 -4.74 115.26 119.11 1x4d n ASN 53 Ca 0.00 -3.20 -0.32 0.00 -0.03 0.00 0.00 54.58 51.03 1x4d n ASN 53 Cb 0.05 -1.23 -0.15 0.00 -0.61 0.00 0.00 39.78 37.84 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 -1.72 2.89 0.04 3.52 2.02 -1.26 -3.74 118.70 120.45 1x4d s GLU 54 Ca 0.58 -0.81 -0.14 0.00 0.02 0.00 0.00 54.97 54.63 1x4d s GLU 54 Cb 0.38 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 32.27 1x4d s GLU 54 CO -0.22 0.33 0.30 0.00 0.02 0.00 0.00 175.26 175.69 1x4d s ALA 55 N 0.01 -0.69 -0.02 5.21 0.00 -0.74 -2.68 121.76 122.84 1x4d s ALA 55 Ca -0.07 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.92 1x4d s ALA 55 Cb -0.15 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1x4d s ALA 55 CO 0.05 -0.40 0.05 -0.06 0.00 0.00 0.00 175.76 175.40 1x4d s PHE 56 N -2.45 -0.03 -0.07 0.00 0.40 0.27 -0.33 117.98 115.78 1x4d s PHE 56 Ca -0.06 0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.48 1x4d s PHE 56 Cb -0.01 -0.11 -0.02 0.00 0.51 0.00 0.00 43.02 43.39 1x4d s PHE 56 CO -0.03 -0.07 -0.18 0.42 0.70 0.00 0.00 175.22 176.06 1x4d s ILE 57 N 0.64 2.70 -0.24 0.64 1.01 -0.57 0.56 121.20 125.93 1x4d s ILE 57 Ca -0.05 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 1x4d s ILE 57 Cb -0.07 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1x4d s ILE 57 CO -0.02 0.57 0.06 -0.70 0.00 0.00 0.00 174.94 174.84 1x4d s GLU 58 N -0.24 3.64 0.38 2.79 2.12 0.23 -1.05 118.70 126.56 1x4d s GLU 58 Ca 0.00 -0.49 -0.03 0.00 0.36 0.00 0.00 54.97 54.82 1x4d s GLU 58 Cb -0.13 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1x4d s GLU 58 CO 0.03 -0.16 0.62 -1.64 -0.54 0.00 0.00 175.26 173.57 1x4d s MET 59 N 1.52 3.54 0.36 4.30 -1.94 -1.21 -1.36 119.30 124.51 1x4d s MET 59 Ca 0.06 -0.08 0.11 0.00 -1.71 0.00 0.00 55.69 54.07 1x4d s MET 59 Cb -0.15 -2.57 0.66 0.00 2.01 0.00 0.00 34.83 34.79 1x4d s MET 59 CO 0.03 0.05 1.80 0.00 -0.01 0.00 0.00 175.02 176.89 1x4d h ALA 60 N 0.81 1.33 -3.59 3.03 0.00 -1.87 -3.43 119.26 115.54 1x4d h ALA 60 Ca -0.48 -0.35 -0.29 0.00 0.00 0.00 0.00 54.91 53.78 1x4d h ALA 60 Cb 1.21 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 18.61 1x4d h ALA 60 CO 0.63 0.49 -0.73 0.95 0.00 0.00 0.00 179.25 180.59 1x4d s THR 61 N -4.18 0.01 0.20 0.00 -4.23 -1.26 -5.00 115.64 101.18 1x4d s THR 61 Ca -0.03 0.12 0.18 0.00 -1.18 0.00 0.00 61.69 60.78 1x4d s THR 61 Cb 0.14 -0.10 0.18 0.00 1.34 0.00 0.00 72.50 74.06 1x4d s THR 61 CO 0.73 0.08 1.48 0.00 -0.54 0.00 0.00 174.62 176.37 1x4d h THR 62 N 5.94 0.00 0.00 3.99 1.03 -1.84 0.27 112.91 122.30 1x4d h THR 62 Ca -0.39 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 65.94 1x4d h THR 62 Cb 1.15 0.40 -0.01 0.00 -1.07 0.00 0.00 68.15 68.62 1x4d h THR 62 CO 0.49 0.00 -0.35 -0.33 -0.01 0.00 0.00 175.52 175.32 1x4d h GLU 63 N 0.00 0.00 0.00 0.00 4.39 -1.94 -2.15 114.58 114.88 1x4d h GLU 63 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x4d h GLU 63 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1x4d h GLU 63 CO 0.00 0.35 -0.01 -0.44 -1.16 0.00 0.00 179.01 177.75 1x4d h ASP 64 N 0.00 0.00 -0.60 1.42 3.32 -0.69 -3.18 116.42 116.69 1x4d h ASP 64 Ca -0.00 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.16 1x4d h ASP 64 Cb 0.64 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.07 1x4d h ASP 64 CO 0.05 0.40 -0.25 0.00 -1.72 0.00 0.00 179.24 177.72 1x4d h ALA 65 N -1.22 0.18 -0.92 3.45 0.00 -1.63 0.20 119.26 119.32 1x4d h ALA 65 Ca 0.00 0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.27 1x4d h ALA 65 Cb 0.01 0.63 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 1x4d h ALA 65 CO 0.00 -0.55 0.53 1.96 0.00 0.00 0.00 179.25 181.18 1x4d h GLN 66 N -0.09 0.72 -0.46 0.00 4.20 -1.56 -0.79 115.11 117.13 1x4d h GLN 66 Ca 0.27 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.86 1x4d h GLN 66 Cb 0.51 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1x4d h GLN 66 CO -0.66 0.47 -0.02 0.00 -0.67 0.00 0.00 178.83 177.95 1x4d h ALA 67 N 1.58 0.62 -0.57 3.87 0.00 -0.66 -2.75 119.26 121.34 1x4d h ALA 67 Ca 0.50 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1x4d h ALA 67 Cb 0.69 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1x4d h ALA 67 CO -0.35 0.43 0.39 0.00 0.00 0.00 0.00 179.25 179.72 1x4d h ALA 68 N 0.90 2.17 -0.11 0.00 0.00 0.38 -1.18 119.26 121.42 1x4d h ALA 68 Ca 0.13 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 1x4d h ALA 68 Cb 0.53 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1x4d h ALA 68 CO 0.03 -0.31 -0.86 0.28 0.00 0.00 0.00 179.25 178.39 1x4d h VAL 69 N 0.27 1.28 0.00 0.00 2.07 -1.16 -3.01 116.25 115.70 1x4d h VAL 69 Ca 0.27 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.74 1x4d h VAL 69 Cb 0.69 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1x4d h VAL 69 CO -0.06 0.65 0.00 -0.67 0.02 0.00 0.00 177.57 177.51 1x4d n ASP 70 N -3.91 0.28 0.05 0.57 2.03 -0.47 -0.86 116.55 114.24 1x4d n ASP 70 Ca -0.08 0.61 0.12 0.00 0.52 0.00 0.00 54.79 55.95 1x4d n ASP 70 Cb 0.79 -0.65 0.19 0.00 -0.72 0.00 0.00 41.12 40.73 1x4d n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x4d n TYR 71 N -1.85 0.50 0.48 -0.67 9.36 -1.05 -3.36 117.16 120.56 1x4d n TYR 71 Ca 0.01 0.15 0.11 0.00 3.32 0.00 0.00 57.90 61.48 1x4d n TYR 71 Cb 0.08 -0.62 0.01 0.00 -0.63 0.00 0.00 39.34 38.17 1x4d n TYR 71 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1x4d n TYR 72 N -2.05 0.33 -0.01 2.98 9.36 -0.04 -2.15 117.16 125.58 1x4d n TYR 72 Ca 0.04 0.09 -0.13 0.00 3.32 0.00 0.00 57.90 61.22 1x4d n TYR 72 Cb 0.43 -0.50 -0.14 0.00 -0.63 0.00 0.00 39.34 38.50 1x4d n TYR 72 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1x4d h THR 73 N 0.00 0.79 0.00 2.97 1.03 -1.61 -3.38 112.91 112.70 1x4d h THR 73 Ca 0.00 -2.59 0.00 0.00 -0.01 0.00 0.00 66.41 63.81 1x4d h THR 73 Cb 0.78 2.46 0.00 0.00 -1.07 0.00 0.00 68.15 70.32 1x4d h THR 73 CO 0.00 0.64 -1.84 0.35 -0.01 0.00 0.00 175.52 174.66 1x4d n THR 74 N -3.21 0.07 -4.12 0.00 -2.24 -1.21 -4.94 114.28 98.63 1x4d n THR 74 Ca -0.22 -0.48 -0.16 0.00 -2.27 0.00 0.00 64.05 60.92 1x4d n THR 74 Cb 1.05 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.14 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 -3.48 0.36 -0.06 4.28 2.01 -0.91 -5.09 115.64 112.74 1x4d s THR 75 Ca -0.06 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 1x4d s THR 75 Cb 0.14 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 72.29 1x4d s THR 75 CO 0.89 0.11 1.50 -2.16 -0.69 0.00 0.00 174.62 174.27 1x4d s PRO 76 N -0.03 4.22 -0.99 4.92 0.04 -1.26 -3.76 135.00 138.15 1x4d s PRO 76 Ca 0.01 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.87 1x4d s PRO 76 Cb -0.03 -3.82 0.11 0.00 0.04 0.00 0.00 34.50 30.81 1x4d s PRO 76 CO -0.00 -0.75 1.24 0.00 0.04 0.00 0.00 177.00 177.54 1x4d s ALA 77 N 3.47 3.27 -0.47 8.56 0.00 -1.26 -4.98 121.76 130.36 1x4d s ALA 77 Ca 0.67 -2.71 -0.20 0.00 0.00 0.00 0.00 51.96 49.71 1x4d s ALA 77 Cb -0.30 -4.18 0.04 0.00 0.00 0.00 0.00 23.12 18.67 1x4d s ALA 77 CO 0.25 -3.12 0.66 -0.51 0.00 0.00 0.00 175.76 173.04 1x4d s LEU 78 N 3.15 4.63 -0.26 0.00 1.43 -1.26 -1.78 118.68 124.58 1x4d s LEU 78 Ca 0.37 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.77 1x4d s LEU 78 Cb -0.03 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 1x4d s LEU 78 CO -0.08 -0.85 0.43 -0.69 0.23 0.00 0.00 176.35 175.39 1x4d s VAL 79 N 2.83 5.13 0.00 -1.59 1.01 0.44 -4.05 120.40 124.18 1x4d s VAL 79 Ca 0.20 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1x4d s VAL 79 Cb -0.16 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1x4d s VAL 79 CO 0.16 0.14 0.00 0.49 0.00 0.00 0.00 175.10 175.90 1x4d n PHE 80 N 5.31 0.00 0.00 5.22 3.72 -1.26 -1.60 117.46 128.84 1x4d n PHE 80 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1x4d n PHE 80 Cb 0.50 -1.18 0.00 0.00 -0.94 0.00 0.00 39.48 37.86 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 -1.23 2.27 3.77 1.37 0.00 -1.26 -5.10 105.19 105.02 1x4d n GLY 81 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.10 2.84 0.59 1.61 0.00 -0.63 -4.96 119.74 119.09 1x4d s LYS 82 Ca 0.00 -0.82 -0.17 0.00 0.00 0.00 0.00 55.97 54.98 1x4d s LYS 82 Cb 0.00 -2.65 -0.03 0.00 0.00 0.00 0.00 37.83 35.15 1x4d s LYS 82 CO 0.00 0.52 1.12 -1.25 0.00 0.00 0.00 175.35 175.74 1x4d s PRO 83 N -2.78 3.12 0.26 1.78 0.04 -1.26 0.17 135.00 136.32 1x4d s PRO 83 Ca 0.30 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.88 1x4d s PRO 83 Cb -0.11 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1x4d s PRO 83 CO 0.22 -1.02 0.28 1.33 0.04 0.00 0.00 177.00 177.85 1x4d n VAL 84 N -1.79 0.00 -5.05 -0.36 0.24 -0.74 -4.75 118.33 105.89 1x4d n VAL 84 Ca 0.11 -1.65 -0.32 0.00 -2.04 0.00 0.00 64.34 60.44 1x4d n VAL 84 Cb 0.51 0.89 -0.15 0.00 -1.47 0.00 0.00 33.84 33.62 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 -2.86 2.52 -0.19 7.34 0.52 -1.18 -4.75 118.95 120.35 1x4d s ARG 85 Ca 0.27 -0.79 -0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1x4d s ARG 85 Cb 0.01 -2.29 0.05 0.00 0.52 0.00 0.00 34.95 33.24 1x4d s ARG 85 CO 0.19 0.52 -0.06 0.08 0.02 0.00 0.00 175.30 176.05 1x4d s VAL 86 N -0.48 1.25 0.33 3.52 1.01 -1.26 -2.57 120.40 122.20 1x4d s VAL 86 Ca 0.06 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.31 1x4d s VAL 86 Cb -0.12 -1.45 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 1x4d s VAL 86 CO 0.01 0.07 -0.05 -1.00 0.00 0.00 0.00 175.10 174.14 1x4d s HIS 87 N 1.56 2.23 -0.85 5.22 3.76 -0.34 -4.91 115.29 121.97 1x4d s HIS 87 Ca -0.01 -0.64 0.01 0.00 -0.15 0.00 0.00 55.06 54.27 1x4d s HIS 87 Cb -0.16 -1.36 0.27 0.00 1.11 0.00 0.00 32.58 32.44 1x4d s HIS 87 CO -0.08 0.40 1.05 -0.11 -0.85 0.00 0.00 174.74 175.15 1x4d n LEU 88 N -0.75 4.88 -4.27 0.89 -0.00 -1.26 -1.08 117.00 115.41 1x4d n LEU 88 Ca -0.05 -5.32 -0.28 0.00 -0.00 0.00 0.00 56.01 50.36 1x4d n LEU 88 Cb 0.64 -0.96 0.25 0.00 -0.00 0.00 0.00 43.42 43.36 1x4d n LEU 88 CO 0.43 1.86 0.25 -0.24 -0.00 0.00 0.00 177.39 179.69 1x4d n SER 89 N 1.20 -3.13 -3.69 1.96 2.88 0.39 -4.84 113.62 108.39 1x4d n SER 89 Ca 0.27 -0.52 -0.13 0.00 -1.33 0.00 0.00 58.87 57.16 1x4d n SER 89 Cb 0.37 -1.04 -0.07 0.00 -0.75 0.00 0.00 64.21 62.72 1x4d n SER 89 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1x4d s GLN 90 N -4.45 0.86 0.57 -1.46 -0.21 -1.26 -3.32 119.66 110.40 1x4d s GLN 90 Ca 0.62 -0.32 0.00 0.00 0.02 0.00 0.00 55.36 55.69 1x4d s GLN 90 Cb -0.15 0.38 0.00 0.00 1.00 0.00 0.00 33.01 34.24 1x4d s GLN 90 CO 0.57 -0.28 0.00 1.17 -2.12 0.00 0.00 175.29 174.63 1x4d n LYS 91 N 0.70 -4.00 -3.44 2.91 0.00 -1.26 -5.03 118.16 108.04 1x4d n LYS 91 Ca -0.19 3.11 0.00 0.00 0.00 0.00 0.00 58.31 61.22 1x4d n LYS 91 Cb 0.59 -3.89 0.00 0.00 0.00 0.00 0.00 35.03 31.73 1x4d n LYS 91 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1x4d n TYR 92 N -2.58 0.00 -0.62 5.64 9.36 -1.26 -4.98 117.16 122.73 1x4d n TYR 92 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1x4d n TYR 92 Cb 0.47 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.19 1x4d n TYR 92 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1x4d n LYS 93 N -0.04 1.24 -2.69 2.98 4.81 -1.26 -4.87 118.16 118.33 1x4d n LYS 93 Ca 0.00 -0.46 -0.16 0.00 -0.87 0.00 0.00 58.31 56.82 1x4d n LYS 93 Cb 0.00 -1.18 0.02 0.00 0.02 0.00 0.00 35.03 33.89 1x4d n LYS 93 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1x4d n ARG 94 N 1.16 -0.85 -1.53 1.64 0.63 -1.26 -4.67 116.66 111.79 1x4d n ARG 94 Ca 0.09 0.82 -0.50 0.00 -0.92 0.00 0.00 57.85 57.34 1x4d n ARG 94 Cb 0.52 -1.12 -0.04 0.00 0.45 0.00 0.00 32.46 32.27 1x4d n ARG 94 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1x4d n ILE 95 N 0.43 1.06 0.12 5.15 5.41 -1.26 -4.74 119.36 125.54 1x4d n ILE 95 Ca -0.04 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1x4d n ILE 95 Cb 0.44 -0.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 1x4d n ILE 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1x4d n LYS 96 N 1.46 0.00 -4.55 0.38 4.81 -1.26 -4.87 118.16 114.14 1x4d n LYS 96 Ca 0.16 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.34 1x4d n LYS 96 Cb 0.22 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.18 1x4d n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1x4d s SER 97 N -1.70 2.99 -0.86 3.14 0.15 -1.26 -5.04 113.70 111.11 1x4d s SER 97 Ca 0.00 -1.55 -0.05 0.00 0.70 0.00 0.00 55.95 55.05 1x4d s SER 97 Cb 0.00 0.24 0.22 0.00 -1.71 0.00 0.00 66.02 64.77 1x4d s SER 97 CO 0.00 -0.77 0.76 -0.83 1.20 0.00 0.00 173.24 173.60 1x4d s GLY 98 N -3.63 2.91 -0.92 9.45 0.00 -1.26 -5.01 107.32 108.86 1x4d s GLY 98 Ca 0.26 -3.63 -0.24 0.00 0.00 0.00 0.00 44.72 41.10 1x4d s GLY 98 CO 0.13 1.21 1.95 2.56 0.00 0.00 0.00 173.10 178.95 1x4d s PRO 99 N -0.80 2.55 -0.18 2.90 0.04 -1.26 -4.84 135.00 133.40 1x4d s PRO 99 Ca 0.24 -0.34 -0.31 0.00 0.04 0.00 0.00 61.00 60.62 1x4d s PRO 99 Cb -0.11 -5.07 0.14 0.00 0.04 0.00 0.00 34.50 29.50 1x4d s PRO 99 CO -0.09 -3.42 1.14 0.45 0.04 0.00 0.00 177.00 175.12 1x4d s SER 100 N 7.95 -0.21 0.40 6.66 0.15 -1.26 -5.09 113.70 122.29 1x4d s SER 100 Ca 0.70 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1x4d s SER 100 Cb -0.06 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1x4d s SER 100 CO 0.00 -0.26 0.00 -0.24 1.20 0.00 0.00 173.24 173.94 1x4d n SER 101 N 0.32 -3.17 -0.14 5.45 2.88 -1.26 -5.29 113.62 112.41 1x4d n SER 101 Ca -0.04 0.76 0.02 0.00 -1.33 0.00 0.00 58.87 58.28 1x4d n SER 101 Cb 0.59 3.01 0.01 0.00 -0.75 0.00 0.00 64.21 67.08 1x4d n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42