#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1i s SER 9 N 0.00 3.28 0.31 6.43 0.15 -1.26 -4.93 113.70 117.67 1n1i s SER 9 Ca 0.00 2.23 0.17 0.00 0.70 0.00 0.00 55.95 59.05 1n1i s SER 9 Cb 0.00 -2.57 0.17 0.00 -1.71 0.00 0.00 66.02 61.91 1n1i s SER 9 CO 0.00 -2.87 1.50 0.00 1.20 0.00 0.00 173.24 173.07 1n1i h ALA 10 N -1.46 0.74 -0.50 5.45 0.00 -2.02 -3.26 119.26 118.22 1n1i h ALA 10 Ca -0.44 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1n1i h ALA 10 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1n1i h ALA 10 CO 0.44 0.53 0.00 0.72 0.00 0.00 0.00 179.25 180.94 1n1i n HIS 11 N -3.23 0.65 -3.09 0.00 -0.00 -1.26 -4.73 115.22 103.56 1n1i n HIS 11 Ca 0.02 -0.33 -0.40 0.00 -0.00 0.00 0.00 57.72 57.02 1n1i n HIS 11 Cb 0.69 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.62 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 -1.35 4.32 0.59 -0.41 2.20 -1.23 -0.83 119.74 123.03 1n1i s LYS 12 Ca 0.40 0.74 -0.18 0.00 -0.36 0.00 0.00 55.97 56.57 1n1i s LYS 12 Cb 0.22 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 1n1i s LYS 12 CO 0.30 -0.09 1.18 0.00 -0.36 0.00 0.00 175.35 176.38 1n1i n ILE 14 N -1.63 0.00 -1.89 0.00 -5.35 -1.26 -4.89 119.36 104.35 1n1i n ILE 14 Ca 0.13 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.66 1n1i n ILE 14 Cb 0.50 0.96 0.13 0.00 -1.74 0.00 0.00 39.64 39.49 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 0.00 1.43 -4.11 7.28 4.64 -1.26 -5.05 116.55 119.47 1n1i n ASP 15 Ca 0.00 -3.09 -0.22 0.00 -1.38 0.00 0.00 54.79 50.10 1n1i n ASP 15 Cb 0.09 -0.43 -0.15 0.00 -1.04 0.00 0.00 41.12 39.59 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 -1.93 1.09 -0.97 5.18 2.01 -1.26 -5.07 115.64 114.69 1n1i s THR 16 Ca 0.34 -0.66 -0.19 0.00 0.31 0.00 0.00 61.69 61.49 1n1i s THR 16 Cb 0.35 -0.92 0.12 0.00 0.01 0.00 0.00 72.50 72.05 1n1i s THR 16 CO -0.09 0.26 1.22 0.20 -0.69 0.00 0.00 174.62 175.52 1n1i s ASN 17 N -0.46 6.64 -0.08 3.53 0.01 -1.26 -4.98 114.94 118.34 1n1i s ASN 17 Ca 0.05 -2.01 -0.30 0.00 -0.71 0.00 0.00 52.86 49.89 1n1i s ASN 17 Cb -0.06 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 1n1i s ASN 17 CO -0.00 -1.13 1.49 -0.69 -1.51 0.00 0.00 177.10 175.27 1n1i s VAL 18 N 3.06 3.82 0.78 1.60 1.01 -1.26 -4.99 120.40 124.43 1n1i s VAL 18 Ca 0.36 1.03 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 1n1i s VAL 18 Cb -0.04 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.75 1n1i s VAL 18 CO -0.09 -0.08 1.15 -2.84 0.00 0.00 0.00 175.10 173.24 1n1i s PRO 19 N 3.65 1.99 0.49 2.72 0.02 -1.26 -4.95 135.00 137.66 1n1i s PRO 19 Ca 0.66 1.50 -0.23 0.00 0.02 0.00 0.00 61.00 62.95 1n1i s PRO 19 Cb -0.29 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.32 1n1i s PRO 19 CO 0.24 -1.90 1.31 -2.00 -0.33 0.00 0.00 177.00 174.32 1n1i s GLU 20 N -4.38 3.48 -1.14 5.54 2.12 -1.26 -2.84 118.70 120.22 1n1i s GLU 20 Ca 0.68 2.12 -0.07 0.00 0.36 0.00 0.00 54.97 58.06 1n1i s GLU 20 Cb -0.23 -2.41 0.01 0.00 0.26 0.00 0.00 34.13 31.75 1n1i s GLU 20 CO 0.50 -0.88 1.00 0.09 -0.54 0.00 0.00 175.26 175.43 1n1i n ASN 21 N -0.62 -5.56 -4.19 -1.70 3.02 -1.26 -4.05 115.26 100.89 1n1i n ASN 21 Ca 0.08 -0.46 -0.11 0.00 -0.03 0.00 0.00 54.58 54.06 1n1i n ASN 21 Cb 0.45 -4.34 -0.10 0.00 -0.61 0.00 0.00 39.78 35.18 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 -3.27 1.06 0.13 5.41 0.00 -1.13 -1.84 121.76 122.11 1n1i s ALA 22 Ca 0.48 -1.50 0.10 0.00 0.00 0.00 0.00 51.96 51.04 1n1i s ALA 22 Cb -0.21 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1n1i s ALA 22 CO 0.62 -0.39 -0.24 0.00 0.00 0.00 0.00 175.76 175.75 1n1i s ALA 23 N -3.84 2.14 -0.02 0.00 0.00 0.32 -4.79 121.76 115.57 1n1i s ALA 23 Ca 0.22 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.81 1n1i s ALA 23 Cb 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1n1i s ALA 23 CO 0.01 0.44 -0.11 0.00 0.00 0.00 0.00 175.76 176.10 1n1i s TYR 25 N 0.05 1.95 -0.24 0.00 5.04 0.35 -4.52 117.35 119.98 1n1i s TYR 25 Ca -0.01 -0.64 -0.07 0.00 -2.44 0.00 0.00 57.07 53.91 1n1i s TYR 25 Cb -0.08 -1.32 -0.03 0.00 0.35 0.00 0.00 41.96 40.88 1n1i s TYR 25 CO 0.00 -0.24 0.07 0.50 -1.34 0.00 0.00 175.55 174.55 1n1i s ARG 26 N 0.15 3.70 0.44 4.97 3.52 -0.01 -1.49 118.95 130.23 1n1i s ARG 26 Ca -0.08 -0.46 -0.12 0.00 -0.13 0.00 0.00 55.73 54.93 1n1i s ARG 26 Cb -0.14 -3.30 -0.07 0.00 -1.56 0.00 0.00 34.95 29.88 1n1i s ARG 26 CO 0.04 -0.12 0.83 0.71 -0.81 0.00 0.00 175.30 175.95 1n1i s TYR 27 N 1.43 3.46 0.59 5.12 2.02 0.12 -4.13 117.35 125.95 1n1i s TYR 27 Ca 0.05 1.18 0.29 0.00 -0.37 0.00 0.00 57.07 58.23 1n1i s TYR 27 Cb -0.15 -2.55 1.77 0.00 -0.40 0.00 0.00 41.96 40.63 1n1i s TYR 27 CO 0.04 -0.18 2.20 -0.07 -1.57 0.00 0.00 175.55 175.96 1n1i h LEU 28 N 1.18 0.00 0.00 -1.29 4.07 -1.87 0.53 115.31 117.93 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 -3.82 0.00 0.00 -0.43 5.75 -1.26 -4.84 116.55 111.96 1n1i n ASP 29 Ca -0.01 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 1n1i n ASP 29 Cb 0.17 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 0.76 0.43 3.77 6.12 0.00 0.17 -5.07 105.19 111.37 1n1i n GLY 30 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.06 3.62 -0.07 2.61 2.01 -1.23 -4.80 115.64 115.72 1n1i s THR 31 Ca 0.00 1.38 0.02 0.00 0.31 0.00 0.00 61.69 63.41 1n1i s THR 31 Cb 0.00 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.74 1n1i s THR 31 CO 0.00 0.15 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.34 1n1i s GLU 32 N -2.09 1.77 -0.01 4.92 2.02 -1.26 0.11 118.70 124.16 1n1i s GLU 32 Ca 0.53 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 55.12 1n1i s GLU 32 Cb -0.26 -1.49 -0.00 0.00 0.10 0.00 0.00 34.13 32.48 1n1i s GLU 32 CO 0.33 -0.00 -0.08 -2.00 0.02 0.00 0.00 175.26 173.53 1n1i s GLU 33 N 0.78 0.69 0.15 1.61 2.12 -0.55 -4.97 118.70 118.52 1n1i s GLU 33 Ca -0.12 -0.28 0.10 0.00 0.36 0.00 0.00 54.97 55.03 1n1i s GLU 33 Cb -0.16 -0.67 -0.04 0.00 0.26 0.00 0.00 34.13 33.53 1n1i s GLU 33 CO 0.02 0.15 -0.19 1.67 -0.54 0.00 0.00 175.26 176.37 1n1i s TRP 34 N -0.08 2.46 -0.05 5.30 1.48 -1.26 -0.49 118.94 126.30 1n1i s TRP 34 Ca 0.02 -0.30 -0.08 0.00 -1.06 0.00 0.00 56.10 54.68 1n1i s TRP 34 Cb -0.04 -1.28 0.02 0.00 -1.16 0.00 0.00 33.47 31.01 1n1i s TRP 34 CO -0.00 0.42 0.20 1.03 -4.06 0.00 0.00 176.95 174.54 1n1i s ARG 35 N -2.35 0.35 0.60 3.25 0.52 -0.08 -4.96 118.95 116.28 1n1i s ARG 35 Ca 0.19 0.06 -0.19 0.00 -0.52 0.00 0.00 55.73 55.26 1n1i s ARG 35 Cb -0.10 0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.50 1n1i s ARG 35 CO 0.10 -0.07 1.29 0.00 0.02 0.00 0.00 175.30 176.64 1n1i s LEU 37 N -4.00 2.92 0.21 0.00 1.43 -0.77 -4.74 118.68 113.74 1n1i s LEU 37 Ca 0.77 1.51 -0.32 0.00 -1.03 0.00 0.00 54.13 55.07 1n1i s LEU 37 Cb -0.36 -4.28 -0.13 0.00 0.03 0.00 0.00 46.19 41.44 1n1i s LEU 37 CO 0.40 -1.68 1.53 0.18 0.23 0.00 0.00 176.35 177.01 1n1i n LEU 38 N -3.27 3.33 0.00 1.79 4.77 -1.26 -1.86 117.00 120.50 1n1i n LEU 38 Ca 0.07 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 1n1i n LEU 38 Cb 0.54 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1n1i n LEU 38 CO 0.56 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1n1i n GLY 39 N 2.82 0.44 3.23 -0.72 0.00 -1.26 -5.08 105.19 104.63 1n1i n GLY 39 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 1.42 0.07 1.61 0.40 -0.78 -2.15 117.98 116.55 1n1i s PHE 40 Ca 0.00 -0.51 0.09 0.00 -0.60 0.00 0.00 56.93 55.92 1n1i s PHE 40 Cb 0.00 -0.76 -0.03 0.00 0.51 0.00 0.00 43.02 42.74 1n1i s PHE 40 CO 0.00 0.14 -0.25 0.21 0.70 0.00 0.00 175.22 176.01 1n1i s LYS 41 N -2.32 1.58 -0.29 0.44 2.20 0.13 -4.72 119.74 116.75 1n1i s LYS 41 Ca 0.06 -1.16 -0.29 0.00 -0.36 0.00 0.00 55.97 54.22 1n1i s LYS 41 Cb -0.07 -1.85 0.01 0.00 -1.51 0.00 0.00 37.83 34.41 1n1i s LYS 41 CO 0.03 0.46 1.08 -2.00 -0.36 0.00 0.00 175.35 174.57 1n1i s GLU 42 N -1.50 4.11 -0.18 4.03 2.12 -1.26 -1.12 118.70 124.89 1n1i s GLU 42 Ca 0.11 1.16 -0.04 0.00 0.36 0.00 0.00 54.97 56.57 1n1i s GLU 42 Cb -0.10 -3.72 0.06 0.00 0.26 0.00 0.00 34.13 30.63 1n1i s GLU 42 CO 0.03 -0.84 0.05 0.08 -0.54 0.00 0.00 175.26 174.04 1n1i s VAL 43 N 3.58 0.30 -1.18 3.70 1.01 0.13 -4.87 120.40 123.06 1n1i s VAL 43 Ca 0.46 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 1n1i s VAL 43 Cb -0.13 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1n1i s VAL 43 CO 0.14 -0.21 0.95 0.61 0.00 0.00 0.00 175.10 176.59 1n1i n GLY 44 N 5.14 -0.50 2.63 4.51 0.00 -1.26 -2.15 105.19 113.56 1n1i n GLY 44 Ca -0.08 0.19 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.20 0.46 3.26 -0.02 0.00 -1.26 -4.97 105.19 101.46 1n1i n GLY 45 Ca -0.25 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.81 1.09 -0.42 1.61 1.02 -0.91 -4.90 119.74 115.43 1n1i s LYS 46 Ca 0.00 -1.46 -0.10 0.00 0.02 0.00 0.00 55.97 54.43 1n1i s LYS 46 Cb 0.00 -0.70 0.07 0.00 -0.52 0.00 0.00 37.83 36.68 1n1i s LYS 46 CO 0.00 0.09 0.26 0.00 -0.92 0.00 0.00 175.35 174.78 1n1i s VAL 48 N 1.45 4.39 0.48 0.00 -7.23 -0.28 -4.74 120.40 114.48 1n1i s VAL 48 Ca 0.03 -0.89 -0.23 0.00 -1.81 0.00 0.00 61.98 59.08 1n1i s VAL 48 Cb -0.23 -3.14 -0.08 0.00 0.56 0.00 0.00 36.38 33.50 1n1i s VAL 48 CO 0.03 0.07 1.22 -2.65 -0.31 0.00 0.00 175.10 173.47 1n1i n PRO 49 N 0.32 1.67 -3.52 4.82 -0.02 -1.26 0.18 135.00 137.18 1n1i n PRO 49 Ca -0.09 0.60 -0.15 0.00 -2.02 0.00 0.00 63.50 61.84 1n1i n PRO 49 Cb 0.52 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.27 -1.57 -0.11 3.55 0.00 -0.91 -4.70 121.76 116.75 1n1i s ALA 50 Ca 0.66 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 1n1i s ALA 50 Cb -0.48 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1n1i s ALA 50 CO 0.54 -0.51 1.04 -1.12 0.00 0.00 0.00 175.76 175.71 1n1i s SER 51 N -1.83 7.20 0.12 0.00 0.01 -1.26 -4.64 113.70 113.29 1n1i s SER 51 Ca -0.06 1.56 0.08 0.00 1.31 0.00 0.00 55.95 58.84 1n1i s SER 51 Cb -0.01 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1n1i s SER 51 CO 0.00 -0.49 -0.14 0.27 0.41 0.00 0.00 173.24 173.29 1n1i s ILE 52 N 2.18 3.12 0.09 1.44 -4.36 -1.26 -5.09 121.20 117.31 1n1i s ILE 52 Ca 0.49 -1.41 0.02 0.00 -0.26 0.00 0.00 60.65 59.49 1n1i s ILE 52 Cb -0.19 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 1n1i s ILE 52 CO 0.17 0.09 -0.07 0.42 0.24 0.00 0.00 174.94 175.80 1n1i s THR 53 N -1.22 0.64 0.29 8.37 -4.23 -1.26 -4.99 115.64 113.23 1n1i s THR 53 Ca 0.20 -1.78 0.09 0.00 -1.18 0.00 0.00 61.69 59.02 1n1i s THR 53 Cb -0.11 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 72.25 1n1i s THR 53 CO 0.12 -0.80 1.66 0.00 -0.54 0.00 0.00 174.62 175.06 1n1i h GLU 55 N 0.07 0.00 -5.09 0.00 3.07 -1.96 -2.97 114.58 107.70 1n1i h GLU 55 Ca -0.00 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.21 1n1i h GLU 55 Cb 0.96 0.00 -0.34 0.00 -0.84 0.00 0.00 28.75 28.53 1n1i h GLU 55 CO 0.07 0.00 -0.86 -1.21 -1.40 0.00 0.00 179.01 175.61 1n1i s GLU 56 N -3.80 2.77 -1.49 2.33 2.02 -1.18 -4.70 118.70 114.66 1n1i s GLU 56 Ca -0.03 -0.77 -0.12 0.00 0.02 0.00 0.00 54.97 54.07 1n1i s GLU 56 Cb 0.09 -2.22 0.07 0.00 0.10 0.00 0.00 34.13 32.17 1n1i s GLU 56 CO 0.30 0.02 0.96 -1.71 0.02 0.00 0.00 175.26 174.85 1n1i n ASN 57 N 3.96 -5.16 -3.38 -0.19 4.05 -1.26 -1.11 115.26 112.16 1n1i n ASN 57 Ca -0.20 -0.66 -0.21 0.00 0.45 0.00 0.00 54.58 53.96 1n1i n ASN 57 Cb 0.52 -4.12 -0.03 0.00 1.23 0.00 0.00 39.78 37.38 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 -2.80 -2.20 0.00 1.20 5.15 -1.22 0.19 115.26 115.59 1n1i n ASN 58 Ca 0.02 -0.31 0.00 0.00 -0.60 0.00 0.00 54.58 53.69 1n1i n ASN 58 Cb 0.54 -1.91 0.00 0.00 -0.53 0.00 0.00 39.78 37.88 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 -0.89 0.25 0.91 8.20 0.00 -0.27 -1.75 105.19 111.64 1n1i n GLY 59 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.95 0.76 3.79 -0.02 0.00 0.50 -4.80 105.19 104.48 1n1i n GLY 60 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.43 -0.55 -0.13 0.00 0.00 -0.51 -4.78 120.51 112.11 1n1i n ALA 62 Ca 0.09 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1n1i n ALA 62 Cb 0.53 -1.99 0.46 0.00 0.00 0.00 0.00 19.45 18.44 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 0.10 0.49 -0.10 0.00 0.11 -1.92 -1.07 132.00 129.62 1n1i h PRO 63 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1n1i h PRO 63 Cb 1.37 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1n1i h PRO 63 CO 0.47 0.33 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 1n1i n GLU 64 N -4.48 1.54 -3.43 1.05 0.00 -1.26 -4.92 120.64 109.14 1n1i n GLU 64 Ca 0.11 -0.80 -0.20 0.00 0.00 0.00 0.00 57.16 56.27 1n1i n GLU 64 Cb 0.37 -1.40 -0.00 0.00 0.00 0.00 0.00 31.44 30.41 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 -1.88 4.11 -0.21 -1.84 0.00 -0.41 -4.67 121.76 116.86 1n1i s ALA 65 Ca 0.33 -1.35 -0.10 0.00 0.00 0.00 0.00 51.96 50.84 1n1i s ALA 65 Cb 0.17 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1n1i s ALA 65 CO 0.27 -0.07 0.13 -1.21 0.00 0.00 0.00 175.76 174.88 1n1i s GLU 66 N -4.23 4.10 -0.16 0.00 0.41 0.76 -4.86 118.70 114.73 1n1i s GLU 66 Ca 0.44 -0.26 -0.08 0.00 -0.41 0.00 0.00 54.97 54.66 1n1i s GLU 66 Cb -0.10 -3.42 -0.04 0.00 -1.78 0.00 0.00 34.13 28.79 1n1i s GLU 66 CO 0.32 0.21 0.13 0.00 -0.49 0.00 0.00 175.26 175.43 1n1i s THR 68 N -0.37 0.07 -0.21 0.00 -4.23 -0.86 -5.00 115.64 105.05 1n1i s THR 68 Ca 0.11 -1.54 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 1n1i s THR 68 Cb -0.12 -1.91 0.04 0.00 1.34 0.00 0.00 72.50 71.85 1n1i s THR 68 CO 0.01 -0.34 -0.16 -0.04 -0.54 0.00 0.00 174.62 173.55 1n1i s MET 69 N -3.99 2.71 0.00 3.99 -1.94 -1.26 -1.20 119.30 117.60 1n1i s MET 69 Ca 0.20 -1.03 0.00 0.00 -1.71 0.00 0.00 55.69 53.15 1n1i s MET 69 Cb 0.04 -2.70 0.00 0.00 2.01 0.00 0.00 34.83 34.19 1n1i s MET 69 CO 0.01 -0.35 0.00 -0.40 -0.01 0.00 0.00 175.02 174.27 1n1i n ASP 70 N 4.55 0.00 -0.18 3.03 5.68 -1.18 -4.93 116.55 123.52 1n1i n ASP 70 Ca -0.18 -0.23 -0.07 0.00 -0.50 0.00 0.00 54.79 53.81 1n1i n ASP 70 Cb 0.47 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.54 1n1i n ASP 70 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1n1i h ASP 71 N 0.00 0.93 0.00 -1.12 3.32 -2.01 -3.02 116.42 114.52 1n1i h ASP 71 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1n1i h ASP 71 Cb 0.00 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1n1i h ASP 71 CO 0.00 0.97 0.00 0.29 -1.72 0.00 0.00 179.24 178.78 1n1i n LYS 72 N -4.20 0.78 -3.29 3.56 5.02 -1.26 -4.87 118.16 113.90 1n1i n LYS 72 Ca 0.03 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.16 1n1i n LYS 72 Cb 0.31 -1.43 0.07 0.00 -0.02 0.00 0.00 35.03 33.96 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 -0.93 -6.03 -4.64 1.97 5.02 -1.14 -5.02 118.16 107.39 1n1i n LYS 73 Ca 0.16 0.71 -0.24 0.00 -2.02 0.00 0.00 58.31 56.92 1n1i n LYS 73 Cb 0.07 -5.35 -0.16 0.00 -0.02 0.00 0.00 35.03 29.57 1n1i n LYS 73 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1n1i s GLU 74 N -5.50 1.59 0.49 1.97 2.02 -1.26 -4.98 118.70 113.03 1n1i s GLU 74 Ca 0.18 -0.46 -0.23 0.00 0.02 0.00 0.00 54.97 54.47 1n1i s GLU 74 Cb -0.08 -1.36 -0.07 0.00 0.10 0.00 0.00 34.13 32.73 1n1i s GLU 74 CO 0.62 0.12 1.37 0.08 0.02 0.00 0.00 175.26 177.47 1n1i s VAL 75 N 0.34 2.16 -0.05 2.63 1.01 -1.26 -3.12 120.40 122.10 1n1i s VAL 75 Ca -0.08 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1n1i s VAL 75 Cb -0.13 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.21 1n1i s VAL 75 CO 0.03 0.01 -0.01 -0.70 0.00 0.00 0.00 175.10 174.42 1n1i s GLU 76 N -2.67 0.56 -0.08 2.72 2.12 -0.34 -4.95 118.70 116.06 1n1i s GLU 76 Ca 0.66 0.04 0.01 0.00 0.36 0.00 0.00 54.97 56.05 1n1i s GLU 76 Cb -0.41 -0.78 -0.02 0.00 0.26 0.00 0.00 34.13 33.18 1n1i s GLU 76 CO 0.51 -0.19 -0.11 0.00 -0.54 0.00 0.00 175.26 174.93 1n1i s LYS 78 N -0.44 1.01 -1.08 0.00 1.02 -0.73 -4.69 119.74 114.84 1n1i s LYS 78 Ca 0.06 -0.38 -0.10 0.00 0.02 0.00 0.00 55.97 55.57 1n1i s LYS 78 Cb -0.12 -0.95 0.26 0.00 -0.52 0.00 0.00 37.83 36.50 1n1i s LYS 78 CO 0.02 0.18 1.10 0.00 -0.92 0.00 0.00 175.35 175.73 1n1i h THR 80 N 3.91 0.56 -1.99 0.00 1.35 -1.88 -3.43 112.91 111.44 1n1i h THR 80 Ca 0.18 -0.15 -0.63 0.00 -0.55 0.00 0.00 66.41 65.26 1n1i h THR 80 Cb 0.90 0.09 0.05 0.00 -1.73 0.00 0.00 68.15 67.46 1n1i h THR 80 CO 1.00 0.08 0.72 1.17 -0.25 0.00 0.00 175.52 178.24 1n1i n LYS 81 N -4.63 1.74 -2.02 4.72 3.00 -1.26 -4.87 118.16 114.84 1n1i n LYS 81 Ca 0.24 0.63 -0.42 0.00 -0.00 0.00 0.00 58.31 58.77 1n1i n LYS 81 Cb 0.83 -2.36 -0.03 0.00 0.00 0.00 0.00 35.03 33.47 1n1i n LYS 81 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1n1i s GLU 82 N 1.33 4.27 0.00 1.64 0.41 -1.26 -2.91 118.70 122.17 1n1i s GLU 82 Ca 0.84 2.28 0.00 0.00 -0.41 0.00 0.00 54.97 57.67 1n1i s GLU 82 Cb -0.80 -3.14 0.00 0.00 -1.78 0.00 0.00 34.13 28.41 1n1i s GLU 82 CO 0.45 -0.45 0.00 0.41 -0.49 0.00 0.00 175.26 175.17 1n1i n GLY 83 N 2.71 2.61 3.81 -1.39 0.00 -1.26 -4.66 105.19 107.01 1n1i n GLY 83 Ca 0.09 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1n1i n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n1i s SER 84 N 0.65 6.42 0.24 1.61 1.04 -1.15 -4.49 113.70 118.02 1n1i s SER 84 Ca 0.00 0.49 0.11 0.00 0.48 0.00 0.00 55.95 57.03 1n1i s SER 84 Cb 0.00 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.95 1n1i s SER 84 CO 0.00 0.29 -0.15 -1.61 0.98 0.00 0.00 173.24 172.75 1n1i s GLU 85 N -0.45 1.84 0.37 4.02 0.41 -1.26 -4.75 118.70 118.87 1n1i s GLU 85 Ca 0.15 -1.54 -0.27 0.00 -0.41 0.00 0.00 54.97 52.90 1n1i s GLU 85 Cb -0.13 -1.94 -0.09 0.00 -1.78 0.00 0.00 34.13 30.19 1n1i s GLU 85 CO 0.04 0.37 1.21 -2.14 -0.49 0.00 0.00 175.26 174.25 1n1i s PRO 86 N -3.20 4.18 0.00 0.39 0.02 -1.26 -1.16 135.00 133.97 1n1i s PRO 86 Ca 0.27 1.96 0.07 0.00 0.02 0.00 0.00 61.00 63.32 1n1i s PRO 86 Cb -0.07 -2.84 -0.02 0.00 0.02 0.00 0.00 34.50 31.60 1n1i s PRO 86 CO 0.15 -0.25 -0.22 -0.51 -0.33 0.00 0.00 177.00 175.84 1n1i s LEU 87 N -2.20 2.08 -1.18 -5.54 1.02 0.20 -4.68 118.68 108.38 1n1i s LEU 87 Ca 0.54 -0.44 -0.18 0.00 0.02 0.00 0.00 54.13 54.07 1n1i s LEU 87 Cb -0.34 -1.09 -0.01 0.00 0.02 0.00 0.00 46.19 44.77 1n1i s LEU 87 CO 0.43 0.24 0.74 0.49 0.02 0.00 0.00 176.35 178.28 1n1i n PHE 88 N 2.33 -1.86 -1.40 0.29 3.72 -1.26 -0.88 117.46 118.39 1n1i n PHE 88 Ca -0.16 0.49 -0.15 0.00 -0.05 0.00 0.00 57.45 57.58 1n1i n PHE 88 Cb 0.53 -3.49 -0.06 0.00 -0.94 0.00 0.00 39.48 35.52 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 -4.24 -1.47 0.00 -1.08 1.02 -1.26 -1.52 120.64 112.09 1n1i n GLU 89 Ca -0.13 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1n1i n GLU 89 Cb 0.60 -5.22 0.00 0.00 -0.02 0.00 0.00 31.44 26.81 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 -0.15 0.84 0.29 0.62 0.00 -0.06 -4.16 105.19 102.56 1n1i n GLY 90 Ca -0.15 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -3.91 1.61 2.07 -0.39 -1.35 116.25 114.28 1n1i h VAL 91 Ca 0.00 -0.43 -0.31 0.00 0.82 0.00 0.00 66.70 66.78 1n1i h VAL 91 Cb 0.00 1.43 -0.27 0.00 -1.52 0.00 0.00 31.29 30.94 1n1i h VAL 91 CO 0.00 0.00 -0.75 -0.36 0.02 0.00 0.00 177.57 176.48 1n1i s PHE 92 N -3.74 0.49 -0.13 1.57 0.08 -0.88 -3.61 117.98 111.77 1n1i s PHE 92 Ca 0.00 -0.19 0.02 0.00 0.12 0.00 0.00 56.93 56.89 1n1i s PHE 92 Cb 0.10 -0.31 0.00 0.00 -0.57 0.00 0.00 43.02 42.24 1n1i s PHE 92 CO 0.52 -0.03 -0.20 0.00 -0.10 0.00 0.00 175.22 175.41 1n1i s SER 94 N 0.60 2.32 -0.13 0.00 1.04 -0.31 -4.92 113.70 112.30 1n1i s SER 94 Ca -0.11 1.62 -0.13 0.00 0.48 0.00 0.00 55.95 57.81 1n1i s SER 94 Cb -0.16 -2.28 -0.05 0.00 0.10 0.00 0.00 66.02 63.63 1n1i s SER 94 CO 0.03 -3.39 0.28 -0.44 0.98 0.00 0.00 173.24 170.70 1n1i s SER 95 N -2.92 6.48 0.06 7.02 0.01 -1.26 -4.39 113.70 118.70 1n1i s SER 95 Ca 0.66 0.56 0.01 0.00 1.31 0.00 0.00 55.95 58.49 1n1i s SER 95 Cb -0.22 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 63.85 1n1i s SER 95 CO 0.60 0.19 0.06 -1.54 0.41 0.00 0.00 173.24 172.96 1n1i n SER 96 N 3.03 0.15 -3.72 2.44 3.41 -1.26 -4.73 113.62 112.93 1n1i n SER 96 Ca -0.14 -1.11 -0.12 0.00 -0.26 0.00 0.00 58.87 57.24 1n1i n SER 96 Cb 0.52 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 1n1i n SER 96 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1n1i s SER 97 N -1.26 -0.43 0.00 4.04 0.15 -1.26 -4.99 113.70 109.95 1n1i s SER 97 Ca 0.04 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1n1i s SER 97 Cb -0.00 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 1n1i s SER 97 CO 0.03 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1n1i n GLY 98 N 3.52 0.00 0.38 9.45 0.00 -1.26 -4.24 105.19 113.03 1n1i n GLY 98 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1n1i n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n1i h PRO 99 N 0.00 -0.56 -0.01 1.61 0.11 -2.02 -3.51 132.00 127.62 1n1i h PRO 99 Ca 0.00 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1n1i h PRO 99 Cb 0.00 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1n1i h PRO 99 CO 0.00 -0.37 0.00 -2.39 -0.21 0.00 0.00 178.00 175.03