#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1i h SER 9 N 0.00 0.60 -0.48 -3.46 4.64 -2.02 0.36 113.55 113.19 1n1i h SER 9 Ca 0.00 0.15 0.14 0.00 -0.47 0.00 0.00 61.79 61.61 1n1i h SER 9 Cb 0.00 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1n1i h SER 9 CO 0.00 0.02 0.68 0.00 -0.87 0.00 0.00 176.83 176.66 1n1i h ALA 10 N 1.76 2.21 -0.23 5.18 0.00 -2.02 0.75 119.26 126.89 1n1i h ALA 10 Ca 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1n1i h ALA 10 Cb 1.42 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1n1i h ALA 10 CO -0.50 -0.92 0.00 0.72 0.00 0.00 0.00 179.25 178.54 1n1i n HIS 11 N -3.35 0.29 -3.08 0.00 -0.00 0.12 -4.74 115.22 104.46 1n1i n HIS 11 Ca 0.09 -0.15 -0.39 0.00 -0.00 0.00 0.00 57.72 57.27 1n1i n HIS 11 Cb 0.85 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.79 1n1i n HIS 11 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1n1i s LYS 12 N -1.71 4.42 0.40 -0.41 2.20 0.26 -0.87 119.74 124.03 1n1i s LYS 12 Ca 0.35 0.93 -0.25 0.00 -0.36 0.00 0.00 55.97 56.64 1n1i s LYS 12 Cb 0.20 -3.34 -0.09 0.00 -1.51 0.00 0.00 37.83 33.10 1n1i s LYS 12 CO 0.30 0.37 1.13 0.00 -0.36 0.00 0.00 175.35 176.78 1n1i n ILE 14 N 0.03 0.00 -1.86 0.00 -5.35 -1.26 -4.84 119.36 106.08 1n1i n ILE 14 Ca 0.05 -0.12 0.05 0.00 -0.27 0.00 0.00 62.75 62.46 1n1i n ILE 14 Cb 0.48 0.59 0.11 0.00 -1.74 0.00 0.00 39.64 39.08 1n1i n ILE 14 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1n1i n ASP 15 N -0.75 1.38 -4.20 7.28 4.64 -1.26 -5.05 116.55 118.60 1n1i n ASP 15 Ca 0.00 -2.96 -0.31 0.00 -1.38 0.00 0.00 54.79 50.14 1n1i n ASP 15 Cb 0.00 -0.40 -0.17 0.00 -1.04 0.00 0.00 41.12 39.51 1n1i n ASP 15 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1n1i s THR 16 N -1.77 1.93 -1.09 5.18 2.01 -1.26 -5.05 115.64 115.59 1n1i s THR 16 Ca 0.32 -0.95 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 1n1i s THR 16 Cb 0.32 -1.67 0.07 0.00 0.01 0.00 0.00 72.50 71.23 1n1i s THR 16 CO -0.08 0.53 1.50 0.21 -0.69 0.00 0.00 174.62 176.09 1n1i s ASN 17 N 0.33 6.63 -0.04 3.53 2.47 -1.26 -4.96 114.94 121.64 1n1i s ASN 17 Ca -0.17 -1.85 -0.30 0.00 0.42 0.00 0.00 52.86 50.97 1n1i s ASN 17 Cb -0.17 -2.55 -0.05 0.00 -1.45 0.00 0.00 41.25 37.03 1n1i s ASN 17 CO 0.08 -1.34 1.45 -0.69 -3.72 0.00 0.00 177.10 172.88 1n1i s VAL 18 N 4.40 3.75 0.79 -5.21 1.01 -1.26 -5.00 120.40 118.89 1n1i s VAL 18 Ca 0.47 1.05 -0.12 0.00 0.00 0.00 0.00 61.98 63.38 1n1i s VAL 18 Cb 0.00 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.78 1n1i s VAL 18 CO -0.05 -0.04 1.15 -2.84 0.00 0.00 0.00 175.10 173.32 1n1i s PRO 19 N 3.02 1.88 0.32 2.72 0.02 -1.26 -4.95 135.00 136.76 1n1i s PRO 19 Ca 0.65 1.51 -0.29 0.00 0.02 0.00 0.00 61.00 62.89 1n1i s PRO 19 Cb -0.30 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.28 1n1i s PRO 19 CO 0.25 -1.98 1.30 -2.00 -0.33 0.00 0.00 177.00 174.25 1n1i s GLU 20 N -4.41 4.37 -0.73 5.54 2.56 -1.26 -2.94 118.70 121.83 1n1i s GLU 20 Ca 0.68 2.19 -0.04 0.00 0.00 0.00 0.00 54.97 57.81 1n1i s GLU 20 Cb -0.23 -3.08 0.00 0.00 2.00 0.00 0.00 34.13 32.82 1n1i s GLU 20 CO 0.51 -0.18 0.49 0.09 -0.56 0.00 0.00 175.26 175.62 1n1i n ASN 21 N 0.92 -4.09 -4.18 -1.70 3.02 -1.26 -4.06 115.26 103.91 1n1i n ASN 21 Ca 0.00 -0.22 -0.11 0.00 -0.03 0.00 0.00 54.58 54.22 1n1i n ASN 21 Cb 0.42 -2.79 -0.10 0.00 -0.61 0.00 0.00 39.78 36.70 1n1i n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n1i s ALA 22 N -3.04 1.01 0.16 5.41 0.00 -1.15 -1.67 121.76 122.47 1n1i s ALA 22 Ca 0.24 -1.49 0.10 0.00 0.00 0.00 0.00 51.96 50.81 1n1i s ALA 22 Cb -0.11 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1n1i s ALA 22 CO 0.30 -0.41 -0.22 0.00 0.00 0.00 0.00 175.76 175.42 1n1i s ALA 23 N -3.89 2.22 0.00 0.00 0.00 0.13 -4.78 121.76 115.44 1n1i s ALA 23 Ca 0.22 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.73 1n1i s ALA 23 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1n1i s ALA 23 CO 0.01 0.38 -0.12 0.00 0.00 0.00 0.00 175.76 176.04 1n1i s TYR 25 N -0.44 1.31 -0.24 0.00 5.04 0.11 -4.58 117.35 118.55 1n1i s TYR 25 Ca 0.03 -0.40 -0.07 0.00 -2.44 0.00 0.00 57.07 54.19 1n1i s TYR 25 Cb -0.05 -0.94 -0.03 0.00 0.35 0.00 0.00 41.96 41.29 1n1i s TYR 25 CO -0.00 -0.18 0.07 0.50 -1.34 0.00 0.00 175.55 174.59 1n1i s ARG 26 N 0.36 3.67 0.43 4.97 3.52 -0.05 -1.11 118.95 130.74 1n1i s ARG 26 Ca -0.08 -0.47 -0.10 0.00 -0.13 0.00 0.00 55.73 54.95 1n1i s ARG 26 Cb -0.12 -3.30 -0.06 0.00 -1.56 0.00 0.00 34.95 29.90 1n1i s ARG 26 CO 0.02 -0.15 0.79 0.71 -0.81 0.00 0.00 175.30 175.86 1n1i s TYR 27 N 1.51 3.49 0.60 5.12 2.02 0.11 -4.18 117.35 126.02 1n1i s TYR 27 Ca 0.06 1.04 0.30 0.00 -0.37 0.00 0.00 57.07 58.09 1n1i s TYR 27 Cb -0.15 -2.45 1.64 0.00 -0.40 0.00 0.00 41.96 40.60 1n1i s TYR 27 CO 0.03 -0.16 2.04 -0.07 -1.57 0.00 0.00 175.55 175.82 1n1i h LEU 28 N 1.05 0.00 -0.51 -1.29 4.07 -1.87 0.24 115.31 117.00 1n1i h LEU 28 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1n1i h LEU 28 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1n1i h LEU 28 CO 0.63 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 177.09 1n1i n ASP 29 N -3.64 0.77 0.00 -0.43 5.75 -1.26 -4.87 116.55 112.86 1n1i n ASP 29 Ca 0.03 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 1n1i n ASP 29 Cb 0.41 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1n1i n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n1i n GLY 30 N 0.94 0.64 3.77 6.12 0.00 0.84 -5.06 105.19 112.45 1n1i n GLY 30 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1n1i n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n1i s THR 31 N -2.18 3.19 -0.06 2.61 2.01 -1.24 -4.77 115.64 115.19 1n1i s THR 31 Ca 0.00 0.94 0.03 0.00 0.31 0.00 0.00 61.69 62.97 1n1i s THR 31 Cb 0.00 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1n1i s THR 31 CO 0.00 0.04 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.22 1n1i s GLU 32 N -2.49 1.73 -0.01 4.92 2.02 -1.26 0.07 118.70 123.67 1n1i s GLU 32 Ca 0.60 -0.49 0.02 0.00 0.02 0.00 0.00 54.97 55.12 1n1i s GLU 32 Cb -0.29 -1.45 -0.00 0.00 0.10 0.00 0.00 34.13 32.49 1n1i s GLU 32 CO 0.36 0.11 -0.08 -2.00 0.02 0.00 0.00 175.26 173.67 1n1i s GLU 33 N 0.41 0.74 0.08 1.61 2.12 -0.27 -4.97 118.70 118.42 1n1i s GLU 33 Ca -0.10 -0.28 0.07 0.00 0.36 0.00 0.00 54.97 55.02 1n1i s GLU 33 Cb -0.14 -0.71 -0.04 0.00 0.26 0.00 0.00 34.13 33.50 1n1i s GLU 33 CO 0.03 0.14 -0.15 1.67 -0.54 0.00 0.00 175.26 176.42 1n1i s TRP 34 N -0.03 2.62 0.02 5.30 1.48 -1.26 0.07 118.94 127.14 1n1i s TRP 34 Ca 0.01 -0.22 0.00 0.00 -1.06 0.00 0.00 56.10 54.83 1n1i s TRP 34 Cb -0.05 -1.42 -0.02 0.00 -1.16 0.00 0.00 33.47 30.82 1n1i s TRP 34 CO -0.00 0.35 -0.03 1.03 -4.06 0.00 0.00 176.95 174.24 1n1i s ARG 35 N -1.88 0.29 0.60 3.25 0.52 0.59 -4.95 118.95 117.36 1n1i s ARG 35 Ca 0.18 -0.51 -0.18 0.00 -0.52 0.00 0.00 55.73 54.69 1n1i s ARG 35 Cb -0.11 0.03 -0.03 0.00 0.52 0.00 0.00 34.95 35.36 1n1i s ARG 35 CO 0.09 -0.02 1.17 0.00 0.02 0.00 0.00 175.30 176.56 1n1i s LEU 37 N -4.19 3.49 0.40 0.00 1.43 -0.67 -4.71 118.68 114.42 1n1i s LEU 37 Ca 0.74 1.63 -0.23 0.00 -1.03 0.00 0.00 54.13 55.24 1n1i s LEU 37 Cb -0.27 -4.51 -0.13 0.00 0.03 0.00 0.00 46.19 41.31 1n1i s LEU 37 CO 0.33 -0.88 0.64 0.18 0.23 0.00 0.00 176.35 176.86 1n1i n LEU 38 N -2.01 0.43 0.00 1.79 4.77 -1.26 -1.23 117.00 119.48 1n1i n LEU 38 Ca 0.07 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1n1i n LEU 38 Cb 0.54 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1n1i n LEU 38 CO 0.49 -2.58 0.00 0.61 -1.33 0.00 0.00 177.39 174.58 1n1i n GLY 39 N 1.67 0.90 3.17 -0.72 0.00 -1.26 -5.03 105.19 103.92 1n1i n GLY 39 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1n1i n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n1i s PHE 40 N -3.27 1.38 0.02 1.61 0.40 -0.37 -1.96 117.98 115.79 1n1i s PHE 40 Ca 0.00 -0.36 0.08 0.00 -0.60 0.00 0.00 56.93 56.05 1n1i s PHE 40 Cb 0.00 -0.81 -0.03 0.00 0.51 0.00 0.00 43.02 42.69 1n1i s PHE 40 CO 0.00 0.05 -0.24 0.21 0.70 0.00 0.00 175.22 175.95 1n1i s LYS 41 N -1.20 1.98 -0.32 0.44 2.20 0.11 -4.68 119.74 118.27 1n1i s LYS 41 Ca 0.03 -1.01 -0.29 0.00 -0.36 0.00 0.00 55.97 54.34 1n1i s LYS 41 Cb -0.08 -2.06 0.01 0.00 -1.51 0.00 0.00 37.83 34.18 1n1i s LYS 41 CO 0.02 0.54 1.26 -2.00 -0.36 0.00 0.00 175.35 174.80 1n1i s GLU 42 N -1.07 3.92 -0.16 4.03 2.12 -1.26 -1.29 118.70 124.99 1n1i s GLU 42 Ca 0.12 1.16 -0.03 0.00 0.36 0.00 0.00 54.97 56.58 1n1i s GLU 42 Cb -0.10 -3.86 0.05 0.00 0.26 0.00 0.00 34.13 30.48 1n1i s GLU 42 CO 0.02 -1.12 0.04 0.08 -0.54 0.00 0.00 175.26 173.74 1n1i s VAL 43 N 4.30 0.39 -1.17 3.70 1.01 0.12 -4.87 120.40 123.88 1n1i s VAL 43 Ca 0.54 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1n1i s VAL 43 Cb -0.15 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1n1i s VAL 43 CO 0.23 -0.12 0.90 0.61 0.00 0.00 0.00 175.10 176.71 1n1i n GLY 44 N 5.11 -0.65 2.69 4.51 0.00 -1.26 -2.18 105.19 113.40 1n1i n GLY 44 Ca -0.08 0.29 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 1n1i n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1i n GLY 45 N -1.30 0.54 3.23 -0.02 0.00 -1.26 -4.97 105.19 101.42 1n1i n GLY 45 Ca -0.21 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1n1i n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n1i s LYS 46 N -2.07 1.01 -0.41 1.61 1.02 -0.93 -4.91 119.74 115.07 1n1i s LYS 46 Ca 0.00 -1.43 -0.10 0.00 0.02 0.00 0.00 55.97 54.47 1n1i s LYS 46 Cb 0.00 -0.53 0.07 0.00 -0.52 0.00 0.00 37.83 36.85 1n1i s LYS 46 CO 0.00 0.05 0.25 0.00 -0.92 0.00 0.00 175.35 174.74 1n1i s VAL 48 N 1.45 4.07 0.39 0.00 -7.23 -0.41 -4.75 120.40 113.93 1n1i s VAL 48 Ca 0.03 -0.68 -0.25 0.00 -1.81 0.00 0.00 61.98 59.27 1n1i s VAL 48 Cb -0.22 -2.83 -0.12 0.00 0.56 0.00 0.00 36.38 33.77 1n1i s VAL 48 CO 0.03 0.34 0.93 -2.65 -0.31 0.00 0.00 175.10 173.43 1n1i n PRO 49 N 1.28 1.20 -3.44 4.82 -0.02 -1.26 -0.72 135.00 136.86 1n1i n PRO 49 Ca -0.14 0.43 -0.13 0.00 -2.02 0.00 0.00 63.50 61.64 1n1i n PRO 49 Cb 0.53 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1n1i n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n1i s ALA 50 N -1.26 -1.64 -0.30 3.55 0.00 -0.83 -4.72 121.76 116.56 1n1i s ALA 50 Ca 0.62 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 52.99 1n1i s ALA 50 Cb -0.60 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1n1i s ALA 50 CO 0.58 -0.68 0.97 0.45 0.00 0.00 0.00 175.76 177.08 1n1i s SER 51 N -2.41 6.87 0.03 0.00 0.15 -1.26 -4.65 113.70 112.42 1n1i s SER 51 Ca -0.01 0.97 0.01 0.00 0.70 0.00 0.00 55.95 57.62 1n1i s SER 51 Cb -0.01 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1n1i s SER 51 CO -0.08 -0.76 0.08 0.27 1.20 0.00 0.00 173.24 173.95 1n1i s ILE 52 N 3.35 4.63 0.02 6.45 -4.36 -1.26 -5.11 121.20 124.92 1n1i s ILE 52 Ca 0.41 -0.54 0.03 0.00 -0.26 0.00 0.00 60.65 60.29 1n1i s ILE 52 Cb -0.13 -3.15 -0.02 0.00 1.25 0.00 0.00 42.46 40.41 1n1i s ILE 52 CO 0.13 0.27 -0.10 0.42 0.24 0.00 0.00 174.94 175.90 1n1i s THR 53 N -1.26 0.81 0.43 8.37 -4.23 -1.26 -5.02 115.64 113.48 1n1i s THR 53 Ca 0.25 -0.74 0.24 0.00 -1.18 0.00 0.00 61.69 60.26 1n1i s THR 53 Cb -0.12 -0.74 0.26 0.00 1.34 0.00 0.00 72.50 73.25 1n1i s THR 53 CO 0.17 0.01 2.06 0.00 -0.54 0.00 0.00 174.62 176.31 1n1i h GLU 55 N 0.00 0.63 -5.69 0.00 3.07 -1.95 -3.17 114.58 107.47 1n1i h GLU 55 Ca -0.00 -0.11 -0.66 0.00 -0.50 0.00 0.00 59.36 58.09 1n1i h GLU 55 Cb 0.32 -0.10 -0.15 0.00 -0.84 0.00 0.00 28.75 27.97 1n1i h GLU 55 CO 0.02 0.58 -0.60 -1.21 -1.40 0.00 0.00 179.01 176.40 1n1i s GLU 56 N -5.16 3.35 -0.93 2.33 2.02 -1.01 -4.50 118.70 114.80 1n1i s GLU 56 Ca -0.08 -0.38 -0.05 0.00 0.02 0.00 0.00 54.97 54.48 1n1i s GLU 56 Cb 0.16 -2.94 0.04 0.00 0.10 0.00 0.00 34.13 31.48 1n1i s GLU 56 CO 0.77 0.55 0.20 -1.71 0.02 0.00 0.00 175.26 175.09 1n1i n ASN 57 N 2.63 -3.04 -4.14 -0.19 4.05 -1.26 -0.65 115.26 112.66 1n1i n ASN 57 Ca -0.18 -0.01 -0.33 0.00 0.45 0.00 0.00 54.58 54.51 1n1i n ASN 57 Cb 0.53 -2.60 -0.03 0.00 1.23 0.00 0.00 39.78 38.92 1n1i n ASN 57 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1n1i n ASN 58 N -1.94 -2.22 0.00 1.20 5.15 -1.24 0.30 115.26 116.51 1n1i n ASN 58 Ca -0.05 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 52.91 1n1i n ASN 58 Cb 0.55 -2.81 0.00 0.00 -0.53 0.00 0.00 39.78 36.99 1n1i n ASN 58 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n1i n GLY 59 N -1.64 0.03 0.97 8.20 0.00 0.18 -0.83 105.19 112.10 1n1i n GLY 59 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1n1i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1i n GLY 60 N 0.75 0.80 3.77 -0.02 0.00 0.15 -4.77 105.19 105.87 1n1i n GLY 60 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1n1i n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1i n ALA 62 N -3.51 0.85 -0.13 0.00 0.00 -0.58 -4.79 120.51 112.35 1n1i n ALA 62 Ca 0.08 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1n1i n ALA 62 Cb 0.54 -2.29 0.47 0.00 0.00 0.00 0.00 19.45 18.18 1n1i n ALA 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1n1i h PRO 63 N 0.30 0.46 -0.84 0.00 0.11 -1.92 -0.71 132.00 129.39 1n1i h PRO 63 Ca -0.50 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1n1i h PRO 63 Cb 1.34 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1n1i h PRO 63 CO 0.52 0.30 0.07 -0.85 -0.21 0.00 0.00 178.00 177.83 1n1i n GLU 64 N -4.48 2.64 -4.50 1.05 0.00 -1.26 -4.90 120.64 109.19 1n1i n GLU 64 Ca 0.12 -1.54 -0.25 0.00 0.00 0.00 0.00 57.16 55.49 1n1i n GLU 64 Cb 0.40 -1.81 -0.10 0.00 0.00 0.00 0.00 31.44 29.92 1n1i n GLU 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n1i s ALA 65 N -1.82 2.80 -0.21 -1.84 0.00 -0.28 -4.68 121.76 115.74 1n1i s ALA 65 Ca 0.27 -1.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.15 1n1i s ALA 65 Cb 0.21 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 1n1i s ALA 65 CO 0.07 0.15 0.14 -2.00 0.00 0.00 0.00 175.76 174.13 1n1i s GLU 66 N -3.58 4.16 -0.13 0.00 2.12 -0.43 -4.84 118.70 116.01 1n1i s GLU 66 Ca 0.31 -0.23 -0.08 0.00 0.36 0.00 0.00 54.97 55.33 1n1i s GLU 66 Cb -0.01 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1n1i s GLU 66 CO 0.15 0.25 0.15 0.00 -0.54 0.00 0.00 175.26 175.27 1n1i s THR 68 N -0.71 0.06 -0.19 0.00 -4.23 -0.95 -5.01 115.64 104.62 1n1i s THR 68 Ca 0.14 -0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 60.08 1n1i s THR 68 Cb -0.12 -0.51 -0.02 0.00 1.34 0.00 0.00 72.50 73.20 1n1i s THR 68 CO 0.03 -0.29 -0.05 -0.04 -0.54 0.00 0.00 174.62 173.73 1n1i s MET 69 N -1.23 3.49 0.76 3.99 -1.94 -1.26 -1.56 119.30 121.56 1n1i s MET 69 Ca -0.13 -0.59 -0.09 0.00 -1.71 0.00 0.00 55.69 53.17 1n1i s MET 69 Cb -0.06 -2.94 0.08 0.00 2.01 0.00 0.00 34.83 33.91 1n1i s MET 69 CO 0.03 0.01 1.09 -0.51 -0.01 0.00 0.00 175.02 175.63 1n1i s ASP 70 N 0.95 4.59 0.63 3.03 1.01 -0.91 -4.91 116.67 121.06 1n1i s ASP 70 Ca -0.00 0.55 0.37 0.00 0.71 0.00 0.00 52.55 54.17 1n1i s ASP 70 Cb -0.15 -1.09 2.11 0.00 1.01 0.00 0.00 42.92 44.80 1n1i s ASP 70 CO 0.01 -1.79 2.31 0.44 0.21 0.00 0.00 175.17 176.35 1n1i h ASP 71 N -0.83 0.00 -0.07 0.27 3.32 -2.00 0.34 116.42 117.46 1n1i h ASP 71 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1n1i h ASP 71 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1n1i h ASP 71 CO 0.61 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 178.42 1n1i n LYS 72 N -3.46 1.27 -2.35 3.56 5.02 -1.26 -4.86 118.16 116.08 1n1i n LYS 72 Ca -0.03 -0.29 -0.14 0.00 -2.02 0.00 0.00 58.31 55.83 1n1i n LYS 72 Cb 0.08 -1.29 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 1n1i n LYS 72 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1n1i n LYS 73 N -0.13 -2.04 -4.50 1.97 5.02 0.11 -4.96 118.16 113.63 1n1i n LYS 73 Ca 0.03 0.71 -0.34 0.00 -2.02 0.00 0.00 58.31 56.69 1n1i n LYS 73 Cb 0.19 -5.30 -0.12 0.00 -0.02 0.00 0.00 35.03 29.78 1n1i n LYS 73 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1n1i s GLU 74 N -4.90 3.28 0.07 1.97 -1.05 -1.26 -4.89 118.70 111.92 1n1i s GLU 74 Ca 0.00 -0.53 -0.30 0.00 -0.15 0.00 0.00 54.97 53.99 1n1i s GLU 74 Cb 0.00 -2.77 -0.05 0.00 -0.44 0.00 0.00 34.13 30.87 1n1i s GLU 74 CO 0.00 0.43 1.08 0.08 0.95 0.00 0.00 175.26 177.79 1n1i s VAL 75 N -0.15 4.34 -0.06 1.83 1.01 -1.26 -2.13 120.40 123.98 1n1i s VAL 75 Ca 0.02 1.76 0.05 0.00 0.00 0.00 0.00 61.98 63.82 1n1i s VAL 75 Cb -0.13 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1n1i s VAL 75 CO 0.03 0.18 -0.21 -0.70 0.00 0.00 0.00 175.10 174.40 1n1i s GLU 76 N 0.66 2.25 -0.11 2.72 2.12 -0.60 -5.00 118.70 120.75 1n1i s GLU 76 Ca 0.53 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 55.11 1n1i s GLU 76 Cb -0.26 -1.89 -0.02 0.00 0.26 0.00 0.00 34.13 32.22 1n1i s GLU 76 CO 0.30 0.28 -0.12 0.00 -0.54 0.00 0.00 175.26 175.18 1n1i s LYS 78 N 0.02 1.75 -0.98 0.00 1.02 -0.81 -4.69 119.74 116.05 1n1i s LYS 78 Ca -0.04 -0.50 -0.12 0.00 0.02 0.00 0.00 55.97 55.33 1n1i s LYS 78 Cb -0.14 -1.46 0.23 0.00 -0.52 0.00 0.00 37.83 35.94 1n1i s LYS 78 CO 0.04 0.12 0.99 0.00 -0.92 0.00 0.00 175.35 175.58 1n1i h THR 80 N 4.38 0.64 -3.60 0.00 1.35 -1.89 -3.44 112.91 110.35 1n1i h THR 80 Ca 0.16 0.00 -0.56 0.00 -0.55 0.00 0.00 66.41 65.46 1n1i h THR 80 Cb 0.96 0.79 0.12 0.00 -1.73 0.00 0.00 68.15 68.29 1n1i h THR 80 CO 0.92 0.00 0.57 1.17 -0.25 0.00 0.00 175.52 177.93 1n1i n LYS 81 N -4.14 2.14 -2.52 4.72 3.00 -1.26 -4.90 118.16 115.19 1n1i n LYS 81 Ca 0.05 0.76 -0.43 0.00 -0.00 0.00 0.00 58.31 58.69 1n1i n LYS 81 Cb 0.45 -2.45 -0.02 0.00 0.00 0.00 0.00 35.03 33.02 1n1i n LYS 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1n1i s GLU 82 N -2.14 4.29 0.00 1.64 -1.05 -1.26 -2.94 118.70 117.23 1n1i s GLU 82 Ca 0.58 1.56 0.00 0.00 -0.15 0.00 0.00 54.97 56.97 1n1i s GLU 82 Cb -0.51 -3.66 0.00 0.00 -0.44 0.00 0.00 34.13 29.52 1n1i s GLU 82 CO 0.60 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 176.64 1n1i n GLY 83 N 3.43 2.65 3.78 -3.83 0.00 -1.26 -5.05 105.19 104.90 1n1i n GLY 83 Ca 0.12 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1n1i n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n1i s SER 84 N 0.34 6.54 0.09 1.61 0.15 -1.15 -5.02 113.70 116.26 1n1i s SER 84 Ca 0.00 2.17 0.03 0.00 0.70 0.00 0.00 55.95 58.86 1n1i s SER 84 Cb 0.00 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1n1i s SER 84 CO 0.00 -0.65 -0.10 -1.61 1.20 0.00 0.00 173.24 172.08 1n1i s GLU 85 N -2.53 0.82 -0.47 5.44 0.41 -1.21 -4.81 118.70 116.35 1n1i s GLU 85 Ca 0.59 -1.13 -0.26 0.00 -0.41 0.00 0.00 54.97 53.76 1n1i s GLU 85 Cb -0.25 -0.50 0.03 0.00 -1.78 0.00 0.00 34.13 31.62 1n1i s GLU 85 CO 0.31 0.08 0.97 -1.25 -0.49 0.00 0.00 175.26 174.88 1n1i s PRO 86 N -2.72 3.55 0.11 0.39 0.04 -1.26 -0.60 135.00 134.50 1n1i s PRO 86 Ca 0.04 0.20 -0.09 0.00 0.04 0.00 0.00 61.00 61.20 1n1i s PRO 86 Cb -0.03 -3.94 -0.06 0.00 0.04 0.00 0.00 34.50 30.51 1n1i s PRO 86 CO -0.00 -1.29 0.41 -0.51 0.04 0.00 0.00 177.00 175.65 1n1i s LEU 87 N 3.93 4.31 -1.24 -3.56 2.01 0.38 -4.23 118.68 120.28 1n1i s LEU 87 Ca 0.39 0.76 -0.13 0.00 0.01 0.00 0.00 54.13 55.16 1n1i s LEU 87 Cb -0.10 -3.13 -0.00 0.00 0.01 0.00 0.00 46.19 42.97 1n1i s LEU 87 CO 0.27 0.12 0.66 0.49 1.01 0.00 0.00 176.35 178.90 1n1i n PHE 88 N 0.61 -1.81 -1.52 0.29 3.72 -1.26 -0.44 117.46 117.04 1n1i n PHE 88 Ca -0.06 0.57 -0.17 0.00 -0.05 0.00 0.00 57.45 57.74 1n1i n PHE 88 Cb 0.52 -3.60 -0.07 0.00 -0.94 0.00 0.00 39.48 35.39 1n1i n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1n1i n GLU 89 N -4.29 -1.39 -0.01 -1.08 1.02 -1.26 -1.50 120.64 112.15 1n1i n GLU 89 Ca -0.18 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1n1i n GLU 89 Cb 0.63 -5.31 0.00 0.00 -0.02 0.00 0.00 31.44 26.74 1n1i n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n1i n GLY 90 N -0.33 0.79 0.27 0.62 0.00 0.41 -4.19 105.19 102.76 1n1i n GLY 90 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.99 1n1i n GLY 90 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n1i h VAL 91 N 0.00 0.34 -3.96 1.61 2.07 -0.68 -1.54 116.25 114.10 1n1i h VAL 91 Ca 0.00 -0.62 -0.34 0.00 0.82 0.00 0.00 66.70 66.56 1n1i h VAL 91 Cb 0.00 1.46 -0.26 0.00 -1.52 0.00 0.00 31.29 30.97 1n1i h VAL 91 CO 0.00 0.10 -0.76 -0.36 0.02 0.00 0.00 177.57 176.57 1n1i s PHE 92 N -3.90 0.68 -0.19 1.57 0.08 -1.00 -3.67 117.98 111.55 1n1i s PHE 92 Ca -0.01 -0.24 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 1n1i s PHE 92 Cb 0.11 -0.42 0.01 0.00 -0.57 0.00 0.00 43.02 42.15 1n1i s PHE 92 CO 0.57 -0.02 -0.17 0.00 -0.10 0.00 0.00 175.22 175.50