#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xer s ILE 2 N 0.00 2.27 -0.24 -0.61 2.07 0.36 -4.94 121.20 120.11 1xer s ILE 2 Ca 0.00 0.20 -0.29 0.00 -1.41 0.00 0.00 60.65 59.15 1xer s ILE 2 Cb 0.00 -3.10 -0.01 0.00 0.13 0.00 0.00 42.46 39.48 1xer s ILE 2 CO 0.00 -0.00 1.37 -0.62 -1.91 0.00 0.00 174.94 173.77 1xer s ASP 3 N -1.03 6.68 0.18 4.50 2.15 -1.26 -4.89 116.67 123.01 1xer s ASP 3 Ca 0.70 1.44 0.17 0.00 0.43 0.00 0.00 52.55 55.29 1xer s ASP 3 Cb -0.38 -2.54 0.79 0.00 -0.30 0.00 0.00 42.92 40.49 1xer s ASP 3 CO 0.45 -1.03 1.52 -0.81 -0.17 0.00 0.00 175.17 175.13 1xer n PRO 4 N 7.20 0.11 -0.51 4.34 -0.04 -1.26 -1.42 135.00 143.41 1xer n PRO 4 Ca 0.15 0.47 0.08 0.00 -0.04 0.00 0.00 63.50 64.17 1xer n PRO 4 Cb 0.46 -1.76 0.30 0.00 -0.04 0.00 0.00 33.50 32.45 1xer n PRO 4 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xer n ASN 5 N -1.97 4.27 -0.29 3.54 5.03 -1.26 -4.68 115.26 119.89 1xer n ASN 5 Ca 0.01 -2.56 0.19 0.00 0.87 0.00 0.00 54.58 53.09 1xer n ASN 5 Cb 0.11 -0.51 0.48 0.00 -1.02 0.00 0.00 39.78 38.84 1xer n ASN 5 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.26 175.53 1xer h TYR 6 N 3.05 0.68 0.00 3.10 -0.00 -1.64 0.06 116.97 122.21 1xer h TYR 6 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.73 1xer h TYR 6 Cb 1.36 -0.20 -0.00 0.00 0.00 0.00 0.00 36.73 37.89 1xer h TYR 6 CO 0.62 0.13 -0.08 0.00 -0.00 0.00 0.00 178.16 178.83 1xer h ARG 7 N 0.47 0.00 0.00 0.10 3.08 -1.85 -0.03 114.38 116.15 1xer h ARG 7 Ca 0.54 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.36 1xer h ARG 7 Cb 1.25 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.26 1xer h ARG 7 CO -0.25 0.08 -1.96 0.25 -1.07 0.00 0.00 179.97 177.01 1xer n THR 8 N -3.78 0.84 0.13 2.04 -2.24 -0.64 -4.56 114.28 106.08 1xer n THR 8 Ca -0.02 -0.58 0.01 0.00 -2.27 0.00 0.00 64.05 61.18 1xer n THR 8 Cb 0.18 -0.49 0.09 0.00 -2.10 0.00 0.00 70.33 68.01 1xer n THR 8 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xer h ASN 9 N 0.00 0.00 -2.44 3.42 -0.26 -0.82 -3.46 115.58 112.02 1xer h ASN 9 Ca -0.33 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 54.85 1xer h ASN 9 Cb 1.71 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 38.88 1xer h ASN 9 CO 0.02 0.60 -0.62 -0.13 -1.06 0.00 0.00 177.43 176.24 1xer s ARG 10 N -3.13 2.50 0.11 0.81 0.52 -0.04 -5.04 118.95 114.67 1xer s ARG 10 Ca 0.02 -1.21 -0.16 0.00 -0.52 0.00 0.00 55.73 53.86 1xer s ARG 10 Cb 0.10 -2.34 -0.07 0.00 0.52 0.00 0.00 34.95 33.16 1xer s ARG 10 CO 0.75 0.41 0.54 -0.65 0.02 0.00 0.00 175.30 176.36 1xer s GLN 11 N -3.45 4.04 0.03 3.54 1.11 -1.26 -4.82 119.66 118.84 1xer s GLN 11 Ca 0.30 0.56 -0.27 0.00 0.01 0.00 0.00 55.36 55.96 1xer s GLN 11 Cb -0.08 -3.06 -0.05 0.00 -1.01 0.00 0.00 33.01 28.81 1xer s GLN 11 CO 0.21 0.56 0.87 0.08 0.01 0.00 0.00 175.29 177.01 1xer s VAL 12 N -1.31 4.77 0.00 1.09 1.01 -1.26 -0.03 120.40 124.67 1xer s VAL 12 Ca 0.33 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1xer s VAL 12 Cb -0.17 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1xer s VAL 12 CO 0.18 0.27 0.00 1.33 0.00 0.00 0.00 175.10 176.89 1xer n VAL 13 N 3.29 0.00 -3.23 2.92 0.24 -0.06 -4.83 118.33 116.65 1xer n VAL 13 Ca 0.01 -0.08 -0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1xer n VAL 13 Cb 0.50 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 1xer n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xer n GLY 14 N 1.89 1.63 2.98 7.63 0.00 -1.14 -5.02 105.19 113.16 1xer n GLY 14 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 1xer n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xer s GLU 15 N -2.00 0.32 -0.16 1.61 -6.30 -1.26 -0.59 118.70 110.32 1xer s GLU 15 Ca 0.00 -0.50 -0.05 0.00 -2.50 0.00 0.00 54.97 51.92 1xer s GLU 15 Cb -0.00 -0.06 0.08 0.00 0.00 0.00 0.00 34.13 34.15 1xer s GLU 15 CO 0.00 -0.00 0.31 -1.58 0.02 0.00 0.00 175.26 174.01 1xer s HIS 16 N -1.07 -0.53 -1.38 5.30 2.46 0.11 -4.90 115.29 115.27 1xer s HIS 16 Ca -0.10 1.05 -0.05 0.00 0.47 0.00 0.00 55.06 56.42 1xer s HIS 16 Cb -0.08 0.03 0.03 0.00 -0.13 0.00 0.00 32.58 32.43 1xer s HIS 16 CO -0.00 -0.43 0.42 0.43 -2.47 0.00 0.00 174.74 172.69 1xer n SER 17 N 5.36 -4.76 0.00 9.88 7.64 -1.26 -1.38 113.62 129.10 1xer n SER 17 Ca -0.06 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.58 1xer n SER 17 Cb 0.50 -3.91 0.00 0.00 -1.01 0.00 0.00 64.21 59.78 1xer n SER 17 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xer n GLY 18 N -1.23 0.18 3.45 0.23 0.00 -1.26 -4.88 105.19 101.67 1xer n GLY 18 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1xer n GLY 18 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xer s HIS 19 N -2.06 2.30 0.59 1.61 -3.43 -0.48 -5.10 115.29 108.73 1xer s HIS 19 Ca 0.00 -0.34 -0.15 0.00 -0.80 0.00 0.00 55.06 53.77 1xer s HIS 19 Cb 0.00 -1.06 -0.04 0.00 -1.43 0.00 0.00 32.58 30.05 1xer s HIS 19 CO 0.00 0.62 1.04 0.15 -2.00 0.00 0.00 174.74 174.54 1xer s LYS 20 N -3.13 3.45 -0.11 -0.38 1.02 -1.26 0.05 119.74 119.38 1xer s LYS 20 Ca 0.26 1.04 0.02 0.00 0.02 0.00 0.00 55.97 57.31 1xer s LYS 20 Cb -0.06 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 1xer s LYS 20 CO 0.13 -0.69 -0.17 0.08 -0.92 0.00 0.00 175.35 173.78 1xer s VAL 21 N -2.69 1.61 -0.19 3.17 1.01 0.24 -1.58 120.40 121.98 1xer s VAL 21 Ca 0.60 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1xer s VAL 21 Cb -0.13 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1xer s VAL 21 CO 0.40 0.46 0.19 -0.31 0.00 0.00 0.00 175.10 175.85 1xer s TYR 22 N 0.87 3.42 0.31 5.22 1.51 -0.10 -0.89 117.35 127.70 1xer s TYR 22 Ca -0.08 0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 56.36 1xer s TYR 22 Cb -0.15 -2.23 0.07 0.00 -0.11 0.00 0.00 41.96 39.53 1xer s TYR 22 CO -0.00 0.26 0.42 0.41 -1.11 0.00 0.00 175.55 175.53 1xer n GLY 23 N 3.50 -0.78 3.76 0.71 0.00 0.96 -2.16 105.19 111.18 1xer n GLY 23 Ca -0.14 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 1xer n GLY 23 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xer s PRO 24 N -3.82 2.83 -0.14 1.61 0.02 -1.26 -4.42 135.00 129.82 1xer s PRO 24 Ca 0.25 1.61 -0.02 0.00 0.02 0.00 0.00 61.00 62.86 1xer s PRO 24 Cb -0.01 -1.93 0.04 0.00 0.02 0.00 0.00 34.50 32.62 1xer s PRO 24 CO 0.17 -1.27 0.01 0.08 -0.33 0.00 0.00 177.00 175.67 1xer s VAL 25 N -1.97 0.52 -0.39 3.83 1.01 -1.26 -3.49 120.40 118.65 1xer s VAL 25 Ca 0.72 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.45 1xer s VAL 25 Cb -0.25 -0.84 0.16 0.00 0.00 0.00 0.00 36.38 35.44 1xer s VAL 25 CO 0.37 0.03 0.28 -1.61 0.00 0.00 0.00 175.10 174.17 1xer s GLU 26 N 1.89 0.76 0.61 2.72 0.41 0.11 -5.00 118.70 120.20 1xer s GLU 26 Ca 0.02 -1.78 -0.19 0.00 -0.41 0.00 0.00 54.97 52.61 1xer s GLU 26 Cb -0.15 -1.39 -0.03 0.00 -1.78 0.00 0.00 34.13 30.78 1xer s GLU 26 CO -0.07 -1.31 1.13 -2.30 -0.49 0.00 0.00 175.26 172.22 1xer n PRO 27 N 3.36 1.06 -2.23 0.39 -0.02 -1.26 -1.81 135.00 134.49 1xer n PRO 27 Ca 0.22 0.41 -0.39 0.00 -2.02 0.00 0.00 63.50 61.71 1xer n PRO 27 Cb 0.43 -2.35 0.02 0.00 -0.02 0.00 0.00 33.50 31.58 1xer n PRO 27 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xer n PRO 28 N -1.36 4.22 -0.26 0.52 -0.04 -1.26 -5.11 135.00 131.71 1xer n PRO 28 Ca 0.14 -3.96 -0.12 0.00 -0.04 0.00 0.00 63.50 59.52 1xer n PRO 28 Cb 0.47 -2.40 -0.02 0.00 -0.04 0.00 0.00 33.50 31.51 1xer n PRO 28 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1xer n VAL 30 N 0.06 0.00 0.40 0.52 0.31 -0.75 -3.81 118.33 115.05 1xer n VAL 30 Ca 0.51 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.88 1xer n VAL 30 Cb 0.27 -0.10 -0.03 0.00 -0.91 0.00 0.00 33.84 33.07 1xer n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xer n LEU 31 N 1.48 0.70 0.00 7.52 4.77 -1.26 0.06 117.00 130.27 1xer n LEU 31 Ca 0.11 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1xer n LEU 31 Cb -0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1xer n LEU 31 CO 0.18 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1xer n GLY 32 N 1.05 0.01 3.48 -0.72 0.00 -1.23 -4.82 105.19 102.97 1xer n GLY 32 Ca 0.02 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1xer n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xer s ILE 33 N 0.00 3.57 -0.19 -0.61 1.01 -0.92 -0.55 121.20 123.51 1xer s ILE 33 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 1xer s ILE 33 Cb 0.00 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 1xer s ILE 33 CO 0.00 0.53 0.03 -1.00 0.00 0.00 0.00 174.94 174.50 1xer s HIS 34 N 0.04 3.14 0.00 3.97 3.76 -0.34 -0.92 115.29 124.94 1xer s HIS 34 Ca -0.02 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 1xer s HIS 34 Cb -0.14 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.48 1xer s HIS 34 CO 0.03 -0.00 0.00 0.41 -0.85 0.00 0.00 174.74 174.33 1xer n GLY 35 N 3.79 2.58 0.85 -2.22 0.00 -0.61 -1.05 105.19 108.53 1xer n GLY 35 Ca -0.17 -1.78 -0.05 0.00 0.00 0.00 0.00 46.02 44.02 1xer n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xer n THR 36 N 1.02 0.39 -0.03 2.61 -1.04 -1.26 -4.30 114.28 111.67 1xer n THR 36 Ca 0.00 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.05 61.85 1xer n THR 36 Cb 0.00 -1.59 -0.10 0.00 -1.82 0.00 0.00 70.33 66.82 1xer n THR 36 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1xer h ILE 37 N -0.18 1.49 -3.66 12.58 2.04 -1.91 -3.40 117.51 124.47 1xer h ILE 37 Ca -0.11 -1.76 -0.66 0.00 1.00 0.00 0.00 64.86 63.33 1xer h ILE 37 Cb 1.00 2.53 -0.40 0.00 -0.74 0.00 0.00 36.82 39.21 1xer h ILE 37 CO -0.07 0.49 -0.72 -0.69 0.00 0.00 0.00 178.15 177.17 1xer s VAL 38 N -3.45 2.28 -0.18 1.67 1.01 -1.26 0.06 120.40 120.53 1xer s VAL 38 Ca -0.15 -2.39 -0.13 0.00 0.00 0.00 0.00 61.98 59.31 1xer s VAL 38 Cb 0.02 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1xer s VAL 38 CO 0.74 -0.61 0.24 -0.83 0.00 0.00 0.00 175.10 174.64 1xer s GLY 39 N 0.84 2.14 -0.18 4.51 0.00 0.73 -4.22 107.32 111.14 1xer s GLY 39 Ca 0.11 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.30 1xer s GLY 39 CO -0.08 0.35 -0.17 0.14 0.00 0.00 0.00 173.10 173.34 1xer s VAL 40 N 0.49 1.91 -0.66 1.40 1.01 -0.21 -0.72 120.40 123.61 1xer s VAL 40 Ca 0.14 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 1xer s VAL 40 Cb -0.12 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.51 1xer s VAL 40 CO 0.02 0.46 1.26 -0.62 0.00 0.00 0.00 175.10 176.21 1xer s ASP 41 N 1.34 6.27 0.57 3.32 -1.08 -0.09 -1.20 116.67 125.79 1xer s ASP 41 Ca 0.04 -0.18 0.31 0.00 -0.52 0.00 0.00 52.55 52.20 1xer s ASP 41 Cb -0.14 -2.56 1.75 0.00 -1.46 0.00 0.00 42.92 40.52 1xer s ASP 41 CO -0.12 -1.69 2.19 -0.26 0.52 0.00 0.00 175.17 175.81 1xer h PHE 42 N 9.93 0.00 0.00 -5.34 -1.00 -1.15 -0.49 116.94 118.90 1xer h PHE 42 Ca -0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.51 1xer h PHE 42 Cb 1.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.62 1xer h PHE 42 CO 1.09 0.05 0.00 -0.25 -1.61 0.00 0.00 178.31 177.58 1xer n ASP 43 N -3.63 0.63 -0.09 2.17 8.00 -1.25 -3.81 116.55 118.58 1xer n ASP 43 Ca -0.02 0.57 -0.11 0.00 0.71 0.00 0.00 54.79 55.93 1xer n ASP 43 Cb 0.15 -0.74 -0.10 0.00 -0.02 0.00 0.00 41.12 40.41 1xer n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xer n LEU 44 N -2.10 1.95 -4.64 0.64 4.77 -0.34 -4.85 117.00 112.43 1xer n LEU 44 Ca 0.05 -0.07 -0.48 0.00 -0.03 0.00 0.00 56.01 55.48 1xer n LEU 44 Cb 0.39 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1xer n LEU 44 CO 0.28 0.67 1.06 0.00 -1.33 0.00 0.00 177.39 178.07 1xer n ILE 46 N 2.92 1.47 -3.46 0.00 -5.35 -1.26 -4.26 119.36 109.42 1xer n ILE 46 Ca 0.17 -1.49 -0.21 0.00 -0.27 0.00 0.00 62.75 60.96 1xer n ILE 46 Cb 0.25 0.17 0.07 0.00 -1.74 0.00 0.00 39.64 38.39 1xer n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xer n ALA 47 N -0.51 -1.25 -0.18 -1.28 0.00 -1.26 -4.77 120.51 111.26 1xer n ALA 47 Ca 0.11 0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.77 1xer n ALA 47 Cb 0.51 -4.67 0.01 0.00 0.00 0.00 0.00 19.45 15.30 1xer n ALA 47 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1xer h ASP 48 N -2.34 0.83 0.00 0.00 1.82 -1.94 -3.48 116.42 111.31 1xer h ASP 48 Ca -0.51 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 55.87 1xer h ASP 48 Cb 1.33 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.12 1xer h ASP 48 CO 0.49 0.88 0.00 0.61 -1.61 0.00 0.00 179.24 179.61 1xer n GLY 49 N -0.53 0.77 0.27 -0.78 0.00 -1.26 -4.93 105.19 98.73 1xer n GLY 49 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1xer n GLY 49 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xer h SER 50 N 0.00 0.57 0.12 1.61 0.02 -1.92 -1.02 113.55 112.92 1xer h SER 50 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1xer h SER 50 Cb 0.00 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1xer h SER 50 CO 0.00 0.67 -0.10 0.00 -1.14 0.00 0.00 176.83 176.25 1xer h ILE 52 N -0.23 1.21 0.00 0.00 2.04 -1.91 -0.54 117.51 118.07 1xer h ILE 52 Ca 0.00 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1xer h ILE 52 Cb 0.22 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1xer h ILE 52 CO -0.02 0.23 -0.05 -1.13 0.00 0.00 0.00 178.15 177.18 1xer h ASN 53 N 0.96 0.00 0.00 1.72 -0.00 -0.45 -3.30 115.58 114.52 1xer h ASN 53 Ca 0.24 0.00 -0.31 0.00 -0.00 0.00 0.00 56.30 56.24 1xer h ASN 53 Cb 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.29 1xer h ASN 53 CO -0.04 0.05 -2.15 0.00 -0.00 0.00 0.00 177.43 175.29 1xer n ALA 54 N -2.13 1.58 -1.69 1.57 0.00 0.07 -4.97 120.51 114.94 1xer n ALA 54 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.00 1xer n ALA 54 Cb 0.30 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 1xer n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xer n PRO 56 N 7.92 0.21 -0.39 0.00 -0.04 -1.26 -3.95 135.00 137.49 1xer n PRO 56 Ca 0.23 0.17 0.07 0.00 -0.04 0.00 0.00 63.50 63.93 1xer n PRO 56 Cb 0.43 -1.74 0.22 0.00 -0.04 0.00 0.00 33.50 32.36 1xer n PRO 56 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1xer n VAL 57 N -2.10 2.21 -3.69 0.52 0.24 -1.26 -5.02 118.33 109.21 1xer n VAL 57 Ca 0.06 -2.14 -0.31 0.00 -2.04 0.00 0.00 64.34 59.91 1xer n VAL 57 Cb 0.41 -0.26 0.04 0.00 -1.47 0.00 0.00 33.84 32.56 1xer n VAL 57 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1xer n ASN 58 N -0.88 -4.94 0.09 -1.34 3.02 -1.25 -4.90 115.26 105.06 1xer n ASN 58 Ca 0.21 -1.01 -0.16 0.00 -0.03 0.00 0.00 54.58 53.59 1xer n ASN 58 Cb 0.83 -3.39 -0.14 0.00 -0.61 0.00 0.00 39.78 36.48 1xer n ASN 58 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xer h VAL 59 N -1.89 1.42 -2.54 2.41 2.07 -1.88 -3.40 116.25 112.43 1xer h VAL 59 Ca -0.66 -3.00 -0.55 0.00 0.82 0.00 0.00 66.70 63.31 1xer h VAL 59 Cb 1.36 2.90 -0.06 0.00 -1.52 0.00 0.00 31.29 33.97 1xer h VAL 59 CO 0.49 0.87 -0.55 -0.36 0.02 0.00 0.00 177.57 178.05 1xer s PHE 60 N -2.65 3.15 0.05 1.57 0.08 -1.26 -1.15 117.98 117.77 1xer s PHE 60 Ca -0.05 -0.04 -0.07 0.00 0.12 0.00 0.00 56.93 56.88 1xer s PHE 60 Cb 0.07 -1.48 -0.00 0.00 -0.57 0.00 0.00 43.02 41.03 1xer s PHE 60 CO 0.88 0.52 0.15 1.14 -0.10 0.00 0.00 175.22 177.80 1xer s GLN 61 N -3.35 0.67 0.25 0.44 -2.07 -0.70 -4.92 119.66 109.99 1xer s GLN 61 Ca 0.32 -0.74 -0.30 0.00 -1.82 0.00 0.00 55.36 52.82 1xer s GLN 61 Cb -0.09 0.27 -0.09 0.00 -1.09 0.00 0.00 33.01 32.00 1xer s GLN 61 CO 0.24 -0.18 1.05 -1.58 -1.32 0.00 0.00 175.29 173.50 1xer s TRP 62 N -2.80 3.71 -0.08 9.60 0.23 -1.26 -0.70 118.94 127.64 1xer s TRP 62 Ca -0.03 1.76 -0.00 0.00 -2.03 0.00 0.00 56.10 55.79 1xer s TRP 62 Cb 0.00 -3.19 0.03 0.00 0.03 0.00 0.00 33.47 30.34 1xer s TRP 62 CO -0.05 -0.24 -0.04 -0.47 0.96 0.00 0.00 176.95 177.11 1xer s TYR 63 N -1.04 0.96 0.19 -1.98 5.04 0.03 -4.87 117.35 115.68 1xer s TYR 63 Ca 0.44 -0.36 -0.30 0.00 -2.44 0.00 0.00 57.07 54.41 1xer s TYR 63 Cb -0.30 -0.91 -0.08 0.00 0.35 0.00 0.00 41.96 41.02 1xer s TYR 63 CO 0.37 -0.35 1.16 -0.51 -1.34 0.00 0.00 175.55 174.88 1xer s ASP 64 N 1.63 7.16 -0.42 4.32 1.01 -1.26 -0.82 116.67 128.29 1xer s ASP 64 Ca 0.01 2.19 0.07 0.00 0.71 0.00 0.00 52.55 55.52 1xer s ASP 64 Cb -0.13 -2.61 0.22 0.00 1.01 0.00 0.00 42.92 41.42 1xer s ASP 64 CO -0.05 -0.30 0.47 0.35 0.21 0.00 0.00 175.17 175.85 1xer n THR 65 N 2.35 -0.64 -1.93 -1.27 -2.24 -0.23 -4.93 114.28 105.38 1xer n THR 65 Ca 0.03 -3.91 -0.42 0.00 -2.27 0.00 0.00 64.05 57.49 1xer n THR 65 Cb 0.45 -1.87 -0.02 0.00 -2.10 0.00 0.00 70.33 66.78 1xer n THR 65 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1xer s PRO 66 N -0.86 4.22 0.00 -0.78 0.04 -1.26 -2.97 135.00 133.39 1xer s PRO 66 Ca 0.34 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.77 1xer s PRO 66 Cb 0.12 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1xer s PRO 66 CO -0.14 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1xer n GLY 67 N 2.78 0.19 3.73 0.56 0.00 -1.26 -4.89 105.19 106.31 1xer n GLY 67 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1xer n GLY 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xer s HIS 68 N -2.00 3.82 0.34 1.61 5.04 -1.16 -4.83 115.29 118.11 1xer s HIS 68 Ca 0.00 1.79 0.18 0.00 -1.54 0.00 0.00 55.06 55.49 1xer s HIS 68 Cb 0.00 -3.04 0.94 0.00 0.04 0.00 0.00 32.58 30.52 1xer s HIS 68 CO 0.00 0.22 1.89 -1.00 -2.34 0.00 0.00 174.74 173.51 1xer h PRO 69 N 5.51 0.00 0.14 2.88 0.13 -1.93 -3.24 132.00 135.50 1xer h PRO 69 Ca -0.43 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.40 1xer h PRO 69 Cb 1.21 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 1xer h PRO 69 CO 0.72 0.28 -1.27 0.00 -0.23 0.00 0.00 178.00 177.50 1xer h ALA 70 N 1.72 0.01 -1.41 -0.56 0.00 -1.89 -3.49 119.26 113.65 1xer h ALA 70 Ca -0.00 -0.81 0.29 0.00 0.00 0.00 0.00 54.91 54.39 1xer h ALA 70 Cb 0.59 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.31 1xer h ALA 70 CO 0.04 0.75 0.84 -1.54 0.00 0.00 0.00 179.25 179.34 1xer s SER 71 N -7.39 -0.10 -0.10 0.00 1.04 -1.22 -4.61 113.70 101.33 1xer s SER 71 Ca -0.08 -0.04 0.18 0.00 0.48 0.00 0.00 55.95 56.49 1xer s SER 71 Cb 0.06 0.13 0.65 0.00 0.10 0.00 0.00 66.02 66.96 1xer s SER 71 CO 0.92 -0.22 1.56 -0.62 0.98 0.00 0.00 173.24 175.86 1xer n GLU 72 N -0.21 3.49 -3.76 4.02 1.02 -1.26 -4.21 120.64 119.72 1xer n GLU 72 Ca -0.02 -2.77 -0.13 0.00 -0.02 0.00 0.00 57.16 54.22 1xer n GLU 72 Cb 0.59 -1.79 -0.09 0.00 -0.02 0.00 0.00 31.44 30.14 1xer n GLU 72 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1xer s LYS 73 N -1.76 0.61 0.03 3.49 2.20 -1.26 -1.07 119.74 121.97 1xer s LYS 73 Ca 0.47 -0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 55.99 1xer s LYS 73 Cb 0.30 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.87 1xer s LYS 73 CO 0.23 -0.16 -0.02 0.15 -0.36 0.00 0.00 175.35 175.19 1xer s LYS 74 N -1.06 0.40 -0.52 4.03 -0.14 0.00 -4.22 119.74 118.23 1xer s LYS 74 Ca -0.11 -0.77 -0.26 0.00 -1.36 0.00 0.00 55.97 53.47 1xer s LYS 74 Cb -0.05 0.14 0.03 0.00 -1.68 0.00 0.00 37.83 36.28 1xer s LYS 74 CO 0.03 -0.07 1.01 0.00 -0.76 0.00 0.00 175.35 175.56 1xer s ALA 75 N -2.13 3.15 -0.20 5.17 0.00 -1.26 -0.79 121.76 125.69 1xer s ALA 75 Ca -0.10 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 1xer s ALA 75 Cb -0.05 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1xer s ALA 75 CO -0.03 -2.34 0.32 0.34 0.00 0.00 0.00 175.76 174.05 1xer s ASP 76 N 2.66 6.37 -0.62 0.00 2.15 0.12 -4.89 116.67 122.46 1xer s ASP 76 Ca 0.36 0.42 -0.06 0.00 0.43 0.00 0.00 52.55 53.71 1xer s ASP 76 Cb -0.10 -2.19 -0.12 0.00 -0.30 0.00 0.00 42.92 40.21 1xer s ASP 76 CO 0.24 -0.00 2.52 -0.81 -0.17 0.00 0.00 175.17 176.94 1xer n PRO 77 N 4.22 2.05 -0.35 4.34 -0.04 -1.26 -1.71 135.00 142.25 1xer n PRO 77 Ca -0.11 -1.24 0.11 0.00 -0.04 0.00 0.00 63.50 62.23 1xer n PRO 77 Cb 0.51 -2.24 0.30 0.00 -0.04 0.00 0.00 33.50 32.04 1xer n PRO 77 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1xer h VAL 78 N 2.84 0.79 -1.25 0.52 3.04 -1.76 -1.85 116.25 118.59 1xer h VAL 78 Ca 0.40 -0.28 -0.64 0.00 -1.01 0.00 0.00 66.70 65.16 1xer h VAL 78 Cb 0.59 -0.12 -0.36 0.00 -2.01 0.00 0.00 31.29 29.40 1xer h VAL 78 CO 0.99 0.15 0.03 0.59 -1.01 0.00 0.00 177.57 178.32 1xer n ASN 79 N -4.69 6.13 -0.24 3.17 3.02 -0.30 -4.81 115.26 117.54 1xer n ASN 79 Ca 0.21 -3.77 0.26 0.00 -0.03 0.00 0.00 54.58 51.26 1xer n ASN 79 Cb 0.50 -0.68 0.64 0.00 -0.61 0.00 0.00 39.78 39.63 1xer n ASN 79 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1xer h GLU 80 N 2.39 0.16 0.00 3.52 4.11 -1.50 -0.17 114.58 123.09 1xer h GLU 80 Ca 0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.88 1xer h GLU 80 Cb 0.90 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1xer h GLU 80 CO 1.14 0.10 0.00 1.04 0.07 0.00 0.00 179.01 181.36 1xer n GLN 81 N -4.37 0.20 0.01 1.06 6.02 -1.26 -2.25 117.38 116.79 1xer n GLN 81 Ca 0.21 0.10 0.12 0.00 -0.01 0.00 0.00 57.00 57.43 1xer n GLN 81 Cb 0.93 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 31.02 1xer n GLN 81 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xer n ALA 82 N -1.36 3.16 -1.63 -1.58 0.00 -0.08 -4.93 120.51 114.09 1xer n ALA 82 Ca 0.08 -0.27 -0.51 0.00 0.00 0.00 0.00 53.44 52.74 1xer n ALA 82 Cb 0.20 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 1xer n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xer n ILE 84 N 3.25 2.04 -3.53 0.00 -5.35 -1.26 -4.98 119.36 109.52 1xer n ILE 84 Ca 0.20 -1.48 -0.23 0.00 -0.27 0.00 0.00 62.75 60.96 1xer n ILE 84 Cb 0.21 -0.03 0.05 0.00 -1.74 0.00 0.00 39.64 38.13 1xer n ILE 84 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1xer n PHE 85 N 0.26 -2.10 0.13 4.28 3.72 -1.26 -4.92 117.46 117.57 1xer n PHE 85 Ca 0.22 0.68 0.01 0.00 -0.05 0.00 0.00 57.45 58.31 1xer n PHE 85 Cb 0.87 -3.91 0.06 0.00 -0.94 0.00 0.00 39.48 35.55 1xer n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xer n MET 87 N -3.32 -1.35 0.00 0.00 0.00 -1.26 -4.88 117.12 106.32 1xer n MET 87 Ca 0.01 0.37 -0.13 0.00 0.00 0.00 0.00 57.70 57.96 1xer n MET 87 Cb 0.73 -4.40 -0.09 0.00 0.00 0.00 0.00 33.22 29.45 1xer n MET 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xer h ALA 88 N 0.00 -0.02 -0.72 3.04 0.00 -1.97 -2.87 119.26 116.72 1xer h ALA 88 Ca -0.01 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1xer h ALA 88 Cb 0.70 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1xer h ALA 88 CO 0.02 -0.31 0.42 0.00 0.00 0.00 0.00 179.25 179.38 1xer h VAL 90 N 0.78 0.96 0.00 0.00 2.07 -1.84 -2.08 116.25 116.14 1xer h VAL 90 Ca 0.31 -0.34 -0.19 0.00 0.82 0.00 0.00 66.70 67.30 1xer h VAL 90 Cb 0.16 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 1xer h VAL 90 CO -0.17 0.18 -1.25 0.78 0.02 0.00 0.00 177.57 177.14 1xer h ASN 91 N 1.00 0.00 1.50 0.57 2.35 -1.01 -3.36 115.58 116.62 1xer h ASN 91 Ca 0.47 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.17 1xer h ASN 91 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1xer h ASN 91 CO -0.23 0.71 -0.52 -0.37 -1.65 0.00 0.00 177.43 175.38 1xer h VAL 92 N 0.00 0.32 -2.51 2.81 -1.51 -0.32 -3.45 116.25 111.58 1xer h VAL 92 Ca -0.14 -1.49 -0.55 0.00 -1.23 0.00 0.00 66.70 63.29 1xer h VAL 92 Cb 1.67 2.04 -0.00 0.00 -2.13 0.00 0.00 31.29 32.86 1xer h VAL 92 CO 0.07 0.18 1.17 0.00 -1.23 0.00 0.00 177.57 177.76 1xer h PRO 94 N 10.46 0.00 -0.38 0.00 0.13 -1.92 -2.63 132.00 137.65 1xer h PRO 94 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1xer h PRO 94 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xer h PRO 94 CO 0.96 0.03 0.00 1.33 -0.23 0.00 0.00 178.00 180.09 1xer n VAL 95 N -3.33 0.94 -3.87 1.56 0.24 -1.26 -5.00 118.33 107.60 1xer n VAL 95 Ca -0.02 -0.97 -0.26 0.00 -2.04 0.00 0.00 64.34 61.06 1xer n VAL 95 Cb 0.16 0.55 -0.00 0.00 -1.47 0.00 0.00 33.84 33.08 1xer n VAL 95 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xer n ALA 96 N 0.69 -2.09 1.21 2.33 0.00 -0.99 -3.93 120.51 117.73 1xer n ALA 96 Ca 0.13 -0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1xer n ALA 96 Cb 0.45 -1.91 0.33 0.00 0.00 0.00 0.00 19.45 18.32 1xer n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xer n ALA 97 N -4.35 3.16 -2.60 0.00 0.00 -1.26 -0.49 120.51 114.97 1xer n ALA 97 Ca -0.28 -0.43 -0.34 0.00 0.00 0.00 0.00 53.44 52.40 1xer n ALA 97 Cb 0.67 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.91 1xer n ALA 97 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xer s ILE 98 N -2.53 3.52 -0.05 0.00 1.01 -1.26 -0.92 121.20 120.97 1xer s ILE 98 Ca 0.23 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 1xer s ILE 98 Cb 0.19 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 40.25 1xer s ILE 98 CO 0.54 0.59 -0.01 -0.62 0.00 0.00 0.00 174.94 175.43 1xer s ASP 99 N -0.68 1.10 -0.19 3.58 -1.08 0.10 -4.74 116.67 114.76 1xer s ASP 99 Ca 0.10 -0.08 -0.03 0.00 -0.52 0.00 0.00 52.55 52.02 1xer s ASP 99 Cb -0.11 -0.39 -0.01 0.00 -1.46 0.00 0.00 42.92 40.95 1xer s ASP 99 CO 0.01 -0.13 -0.07 -0.69 0.52 0.00 0.00 175.17 174.82 1xer s VAL 100 N 1.40 3.30 -0.25 1.11 1.01 -1.26 -0.19 120.40 125.52 1xer s VAL 100 Ca -0.04 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1xer s VAL 100 Cb -0.13 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.85 1xer s VAL 100 CO -0.03 0.46 -0.03 -0.75 0.00 0.00 0.00 175.10 174.75 1xer s LYS 101 N 1.03 1.52 0.34 2.72 2.20 0.11 -5.00 119.74 122.66 1xer s LYS 101 Ca 0.00 -1.04 -0.29 0.00 -0.36 0.00 0.00 55.97 54.28 1xer s LYS 101 Cb -0.15 -2.58 -0.11 0.00 -1.51 0.00 0.00 37.83 33.48 1xer s LYS 101 CO -0.00 -0.65 1.51 -2.30 -0.36 0.00 0.00 175.35 173.55 1xer n PRO 102 N 4.66 2.64 0.00 4.03 -0.02 -1.26 -4.44 135.00 140.61 1xer n PRO 102 Ca -0.10 0.93 0.05 0.00 -2.02 0.00 0.00 63.50 62.36 1xer n PRO 102 Cb 0.44 -2.67 0.29 0.00 -0.02 0.00 0.00 33.50 31.54 1xer n PRO 102 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13