#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i n THR 10 N 0.00 0.00 -4.46 1.39 -2.24 -1.26 -4.45 114.28 103.26 1s1i n THR 10 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1s1i n THR 10 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 1s1i n THR 10 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1s1i s GLY 11 N -0.17 1.77 0.00 3.38 0.00 -1.26 -4.83 107.32 106.21 1s1i s GLY 11 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1s1i s GLY 11 CO 0.00 -0.47 0.00 0.28 0.00 0.00 0.00 173.10 172.91 1s1i n LYS 12 N 2.54 2.96 -2.24 2.90 5.02 -1.26 -4.88 118.16 123.21 1s1i n LYS 12 Ca -0.18 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.71 1s1i n LYS 12 Cb 0.53 -0.91 -0.02 0.00 -0.02 0.00 0.00 35.03 34.61 1s1i n LYS 12 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1s1i s TYR 13 N -1.81 3.14 0.00 2.13 2.02 -1.26 -4.97 117.35 116.59 1s1i s TYR 13 Ca 0.00 1.52 0.00 0.00 -0.37 0.00 0.00 57.07 58.22 1s1i s TYR 13 Cb 0.00 -3.51 0.00 0.00 -0.40 0.00 0.00 41.96 38.05 1s1i s TYR 13 CO 0.00 -1.44 0.00 0.41 -1.57 0.00 0.00 175.55 172.95 1s1i n GLY 14 N 0.81 -0.60 3.09 0.71 0.00 -1.26 -4.70 105.19 103.24 1s1i n GLY 14 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1s1i n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s1i s VAL 15 N 0.00 1.89 0.00 1.61 -7.23 -1.26 -4.79 120.40 110.62 1s1i s VAL 15 Ca 0.00 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1s1i s VAL 15 Cb 0.00 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.22 1s1i s VAL 15 CO 0.00 0.51 0.00 -2.11 -0.31 0.00 0.00 175.10 173.19 1s1i n ARG 16 N 4.57 2.54 -4.09 4.82 0.00 -1.26 -5.08 116.66 118.16 1s1i n ARG 16 Ca -0.20 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.31 1s1i n ARG 16 Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.85 1s1i n ARG 16 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1s1i s TYR 17 N 0.99 3.12 0.00 2.89 2.02 -1.26 -5.05 117.35 120.06 1s1i s TYR 17 Ca 0.00 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 1s1i s TYR 17 Cb 0.00 -2.08 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 1s1i s TYR 17 CO 0.00 -0.06 0.00 0.41 -1.57 0.00 0.00 175.55 174.33 1s1i n GLY 18 N 3.92 0.05 3.37 0.71 0.00 -1.25 -4.24 105.19 107.75 1s1i n GLY 18 Ca -0.17 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 1s1i n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s1i n SER 19 N -2.48 -6.01 0.05 1.61 2.88 -1.26 -4.55 113.62 103.85 1s1i n SER 19 Ca 0.00 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 1s1i n SER 19 Cb 0.00 -4.65 0.00 0.00 -0.75 0.00 0.00 64.21 58.81 1s1i n SER 19 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1s1i n SER 20 N -2.59 -0.89 -4.62 -3.46 7.64 -1.26 -5.01 113.62 103.43 1s1i n SER 20 Ca -0.00 0.43 -0.34 0.00 1.01 0.00 0.00 58.87 59.96 1s1i n SER 20 Cb 0.56 1.10 -0.10 0.00 -1.01 0.00 0.00 64.21 64.76 1s1i n SER 20 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1s1i s LEU 21 N -5.40 3.46 0.00 -3.43 1.02 -1.26 -4.84 118.68 108.23 1s1i s LEU 21 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.20 1s1i s LEU 21 Cb 0.00 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.40 1s1i s LEU 21 CO 0.00 0.30 0.00 -2.11 0.02 0.00 0.00 176.35 174.56 1s1i n ARG 22 N 2.63 0.00 -3.12 1.70 0.00 -1.26 -3.76 116.66 112.85 1s1i n ARG 22 Ca -0.18 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.27 1s1i n ARG 22 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.98 1s1i n ARG 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1s1i n ARG 23 N 0.00 4.02 0.00 2.89 1.74 -1.26 -4.20 116.66 119.85 1s1i n ARG 23 Ca 0.00 -4.57 0.00 0.00 -0.77 0.00 0.00 57.85 52.51 1s1i n ARG 23 Cb 0.00 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 28.98 1s1i n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s1i n GLN 24 N 1.32 1.34 -4.21 5.56 10.64 -1.26 -4.76 117.38 126.01 1s1i n GLN 24 Ca 0.26 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 55.16 1s1i n GLN 24 Cb 0.35 -0.75 -0.08 0.00 -0.86 0.00 0.00 30.24 28.90 1s1i n GLN 24 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1s1i s VAL 25 N -1.50 3.66 -1.62 -0.39 1.01 -1.26 -1.79 120.40 118.51 1s1i s VAL 25 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1s1i s VAL 25 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1s1i s VAL 25 CO 0.00 -0.06 0.00 0.29 0.00 0.00 0.00 175.10 175.33 1s1i n LYS 26 N 0.07 -1.13 0.00 2.72 4.01 -1.26 -4.40 118.16 118.18 1s1i n LYS 26 Ca -0.10 1.03 0.00 0.00 -0.51 0.00 0.00 58.31 58.73 1s1i n LYS 26 Cb 0.54 -5.21 0.00 0.00 -0.51 0.00 0.00 35.03 29.86 1s1i n LYS 26 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1s1i n LYS 27 N -2.43 0.00 -0.25 1.97 4.76 -1.26 -4.10 118.16 116.85 1s1i n LYS 27 Ca -0.15 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.23 1s1i n LYS 27 Cb 0.52 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.76 1s1i n LYS 27 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 1s1i h LEU 28 N 0.00 0.87 0.00 -0.35 -0.00 -1.56 -3.45 115.31 110.82 1s1i h LEU 28 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1s1i h LEU 28 Cb 0.22 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1s1i h LEU 28 CO 0.00 0.70 0.00 -0.62 -0.00 0.00 0.00 178.44 178.52 1s1i n GLU 29 N -4.51 0.00 -0.04 0.17 -0.58 -1.26 -4.80 120.64 109.62 1s1i n GLU 29 Ca 0.06 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.75 1s1i n GLU 29 Cb 0.08 0.00 0.15 0.00 -0.57 0.00 0.00 31.44 31.10 1s1i n GLU 29 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1s1i h ILE 30 N 3.61 1.26 -3.12 -3.67 -0.00 -1.87 -3.41 117.51 110.32 1s1i h ILE 30 Ca 0.00 -1.26 -0.41 0.00 -0.00 0.00 0.00 64.86 63.19 1s1i h ILE 30 Cb 0.00 1.24 0.22 0.00 -0.00 0.00 0.00 36.82 38.27 1s1i h ILE 30 CO 0.00 0.41 -0.06 -1.58 -0.00 0.00 0.00 178.15 176.92 1s1i s GLN 31 N -4.60 -1.94 -1.46 2.19 0.74 -1.26 -2.34 119.66 111.00 1s1i s GLN 31 Ca -0.08 0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.84 1s1i s GLN 31 Cb 0.14 -1.46 0.00 0.00 1.10 0.00 0.00 33.01 32.79 1s1i s GLN 31 CO 0.81 -4.32 0.00 1.04 -0.55 0.00 0.00 175.29 172.27 1s1i n GLN 32 N -5.29 -1.03 0.00 1.67 3.00 -1.26 -4.41 117.38 110.05 1s1i n GLN 32 Ca 0.07 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 57.99 1s1i n GLN 32 Cb 0.57 -5.09 0.00 0.00 0.00 0.00 0.00 30.24 25.72 1s1i n GLN 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1s1i n HIS 33 N -2.91 0.00 -1.73 1.08 8.25 -0.99 -4.93 115.22 114.00 1s1i n HIS 33 Ca -0.15 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.98 1s1i n HIS 33 Cb 0.51 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.67 1s1i n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s1i s ALA 34 N -0.71 2.44 0.26 -1.41 0.00 -1.14 -4.97 121.76 116.22 1s1i s ALA 34 Ca 0.00 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 1s1i s ALA 34 Cb 0.00 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1s1i s ALA 34 CO 0.00 -1.32 1.07 -0.98 0.00 0.00 0.00 175.76 174.53 1s1i s ARG 35 N -4.10 4.67 0.05 0.00 1.70 -1.26 -4.96 118.95 115.05 1s1i s ARG 35 Ca 0.67 1.74 0.04 0.00 -0.47 0.00 0.00 55.73 57.72 1s1i s ARG 35 Cb -0.21 -3.22 -0.02 0.00 -0.57 0.00 0.00 34.95 30.93 1s1i s ARG 35 CO 0.42 0.24 -0.13 0.71 -1.08 0.00 0.00 175.30 175.47 1s1i s TYR 36 N -1.02 1.10 0.26 5.89 2.02 -0.73 -4.98 117.35 119.88 1s1i s TYR 36 Ca 0.45 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.45 1s1i s TYR 36 Cb -0.31 -0.64 -0.09 0.00 -0.40 0.00 0.00 41.96 40.52 1s1i s TYR 36 CO 0.39 0.02 1.30 0.16 -1.57 0.00 0.00 175.55 175.85 1s1i s ASP 37 N -1.38 6.86 0.59 2.29 -4.77 -1.26 -2.56 116.67 116.45 1s1i s ASP 37 Ca -0.02 2.52 -0.10 0.00 -3.30 0.00 0.00 52.55 51.65 1s1i s ASP 37 Cb -0.09 -2.63 -0.04 0.00 -1.09 0.00 0.00 42.92 39.08 1s1i s ASP 37 CO 0.01 -0.51 0.98 0.00 0.70 0.00 0.00 175.17 176.35 1s1i h SER 39 N -0.22 -0.73 -3.59 0.00 0.87 -1.94 -2.62 113.55 105.32 1s1i h SER 39 Ca -0.45 -0.00 -0.78 0.00 -1.23 0.00 0.00 61.79 59.33 1s1i h SER 39 Cb 1.19 0.19 -0.26 0.00 -0.44 0.00 0.00 62.40 63.08 1s1i h SER 39 CO 0.62 -0.46 -0.03 0.12 -0.53 0.00 0.00 176.83 176.55 1s1i s PHE 40 N -5.64 3.58 0.00 2.24 2.19 -1.26 -4.05 117.98 115.04 1s1i s PHE 40 Ca -0.17 -1.79 0.00 0.00 0.33 0.00 0.00 56.93 55.30 1s1i s PHE 40 Cb 0.03 -3.79 0.00 0.00 -1.31 0.00 0.00 43.02 37.95 1s1i s PHE 40 CO 0.58 -1.00 0.00 0.00 1.83 0.00 0.00 175.22 176.63 1s1i n GLY 42 N 0.00 0.15 0.22 0.00 0.00 -0.99 -4.86 105.19 99.72 1s1i n GLY 42 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1s1i n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s1i h LYS 43 N 0.34 -0.53 0.00 1.61 6.56 -1.92 -3.45 116.57 119.18 1s1i h LYS 43 Ca 0.00 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1s1i h LYS 43 Cb 0.61 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.39 1s1i h LYS 43 CO 0.00 -0.35 0.00 1.17 -2.06 0.00 0.00 179.45 178.21 1s1i n LYS 44 N -3.79 0.00 -2.56 3.15 0.00 -1.26 -4.90 118.16 108.80 1s1i n LYS 44 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.81 1s1i n LYS 44 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.23 1s1i n LYS 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1s1i s THR 45 N 0.00 4.51 -0.06 3.15 -4.23 -1.22 -1.78 115.64 116.01 1s1i s THR 45 Ca 0.00 1.82 -0.30 0.00 -1.18 0.00 0.00 61.69 62.03 1s1i s THR 45 Cb 0.00 -4.18 0.07 0.00 1.34 0.00 0.00 72.50 69.73 1s1i s THR 45 CO 0.00 -0.15 0.67 0.54 -0.54 0.00 0.00 174.62 175.14 1s1i s VAL 46 N 3.23 0.00 -0.25 2.29 0.11 -1.04 -4.00 120.40 120.74 1s1i s VAL 46 Ca 0.49 -0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 59.38 1s1i s VAL 46 Cb -0.18 -0.99 0.07 0.00 -1.53 0.00 0.00 36.38 33.75 1s1i s VAL 46 CO 0.10 -0.01 0.62 -0.75 -3.33 0.00 0.00 175.10 171.74 1s1i s LYS 47 N -1.12 0.64 -0.30 1.54 2.47 -1.26 -4.25 119.74 117.47 1s1i s LYS 47 Ca -0.11 1.10 -0.29 0.00 -1.56 0.00 0.00 55.97 55.12 1s1i s LYS 47 Cb -0.00 0.12 0.01 0.00 -1.46 0.00 0.00 37.83 36.50 1s1i s LYS 47 CO 0.09 -0.15 1.11 -0.98 0.16 0.00 0.00 175.35 175.59 1s1i s ARG 48 N 1.47 4.08 1.17 4.03 3.03 -1.26 -2.49 118.95 128.98 1s1i s ARG 48 Ca -0.09 1.16 -0.20 0.00 2.03 0.00 0.00 55.73 58.63 1s1i s ARG 48 Cb -0.06 -3.74 0.29 0.00 -1.03 0.00 0.00 34.95 30.41 1s1i s ARG 48 CO -0.17 -0.89 1.18 0.41 -1.13 0.00 0.00 175.30 174.71 1s1i n GLY 49 N 3.85 -2.41 3.76 3.88 0.00 0.19 -4.89 105.19 109.57 1s1i n GLY 49 Ca 0.12 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 1s1i n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i s ALA 50 N -3.30 3.11 0.21 4.61 0.00 -1.26 -4.26 121.76 120.88 1s1i s ALA 50 Ca 0.73 1.35 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1s1i s ALA 50 Cb -0.06 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1s1i s ALA 50 CO 0.55 -1.14 0.00 0.00 0.00 0.00 0.00 175.76 175.17 1s1i n ALA 51 N -0.37 -1.87 -1.92 0.00 0.00 -1.26 -4.02 120.51 111.07 1s1i n ALA 51 Ca 0.06 0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 1s1i n ALA 51 Cb 0.43 -0.69 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 1s1i n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1i n GLY 52 N -3.07 1.29 3.53 0.00 0.00 -1.26 -4.71 105.19 100.96 1s1i n GLY 52 Ca -0.01 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 1s1i n GLY 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s1i s ILE 53 N 9.96 -0.00 -0.20 -0.61 -1.16 -1.26 -3.46 121.20 124.47 1s1i s ILE 53 Ca 0.66 0.01 -0.28 0.00 -0.51 0.00 0.00 60.65 60.54 1s1i s ILE 53 Cb 0.02 -0.87 0.11 0.00 0.61 0.00 0.00 42.46 42.33 1s1i s ILE 53 CO 0.13 0.01 0.95 -1.66 -2.81 0.00 0.00 174.94 171.56 1s1i s TRP 54 N 0.95 -0.48 0.06 3.50 -2.14 -0.96 0.55 118.94 120.42 1s1i s TRP 54 Ca -0.05 1.01 -0.27 0.00 2.66 0.00 0.00 56.10 59.45 1s1i s TRP 54 Cb -0.05 0.40 0.09 0.00 -3.10 0.00 0.00 33.47 30.80 1s1i s TRP 54 CO -0.08 -0.34 0.90 0.95 -2.66 0.00 0.00 176.95 175.72 1s1i s THR 55 N -0.48 0.00 0.00 0.66 -4.23 -1.04 -2.55 115.64 108.00 1s1i s THR 55 Ca -0.01 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 1s1i s THR 55 Cb -0.03 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.46 1s1i s THR 55 CO -0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1s1i n SER 57 N 6.98 0.00 -3.63 0.00 2.88 -1.26 -2.51 113.62 116.08 1s1i n SER 57 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1s1i n SER 57 Cb 0.00 -0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.30 1s1i n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s1i n LYS 60 N -2.89 0.95 -3.68 0.00 0.00 -1.26 -4.42 118.16 106.87 1s1i n LYS 60 Ca -0.15 0.24 -0.19 0.00 -0.00 0.00 0.00 58.31 58.21 1s1i n LYS 60 Cb 0.60 -2.41 -0.05 0.00 -0.00 0.00 0.00 35.03 33.17 1s1i n LYS 60 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1s1i n LYS 61 N 8.23 0.95 -3.80 -1.58 0.00 -1.26 -4.97 118.16 115.74 1s1i n LYS 61 Ca 0.43 -2.37 -0.13 0.00 -0.00 0.00 0.00 58.31 56.25 1s1i n LYS 61 Cb 0.22 0.94 -0.14 0.00 -0.00 0.00 0.00 35.03 36.06 1s1i n LYS 61 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1s1i s THR 62 N -2.38 -0.02 -0.04 0.58 -4.23 -1.26 -4.24 115.64 104.05 1s1i s THR 62 Ca 0.07 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 1s1i s THR 62 Cb 0.00 -0.19 0.03 0.00 1.34 0.00 0.00 72.50 73.68 1s1i s THR 62 CO 0.05 0.03 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.46 1s1i s VAL 63 N 0.53 0.31 0.44 2.29 1.01 -1.06 -4.98 120.40 118.94 1s1i s VAL 63 Ca -0.04 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.73 1s1i s VAL 63 Cb -0.05 -0.38 -0.08 0.00 0.00 0.00 0.00 36.38 35.86 1s1i s VAL 63 CO -0.02 0.18 1.10 0.00 0.00 0.00 0.00 175.10 176.36 1s1i s ALA 64 N 1.05 2.99 0.00 5.51 0.00 -1.26 -2.26 121.76 127.79 1s1i s ALA 64 Ca -0.09 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1s1i s ALA 64 Cb -0.14 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1s1i s ALA 64 CO -0.01 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1s1i n GLY 65 N 0.31 3.47 2.80 0.00 0.00 -1.22 -4.94 105.19 105.60 1s1i n GLY 65 Ca 0.07 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 1s1i n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s1i s GLY 66 N 0.00 0.91 0.00 -0.02 0.00 -0.72 -4.79 107.32 102.70 1s1i s GLY 66 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1s1i s GLY 66 CO 0.00 1.27 0.00 0.00 0.00 0.00 0.00 173.10 174.37 1s1i n ALA 67 N 4.92 0.00 -1.13 3.20 0.00 -1.26 -4.25 120.51 121.99 1s1i n ALA 67 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 1s1i n ALA 67 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 1s1i n ALA 67 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1s1i n TYR 68 N -0.05 -0.60 -1.06 0.00 4.11 -1.26 -4.37 117.16 113.93 1s1i n TYR 68 Ca 0.00 0.75 0.00 0.00 -0.00 0.00 0.00 57.90 58.65 1s1i n TYR 68 Cb 0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 39.34 37.76 1s1i n TYR 68 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1s1i n THR 69 N -0.13 -5.55 0.05 -3.48 -2.24 -1.26 -4.85 114.28 96.82 1s1i n THR 69 Ca 0.14 1.41 -0.12 0.00 -2.27 0.00 0.00 64.05 63.21 1s1i n THR 69 Cb 0.22 -2.99 -0.08 0.00 -2.10 0.00 0.00 70.33 65.39 1s1i n THR 69 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1s1i h VAL 70 N 1.72 1.04 -3.46 2.28 3.04 -1.80 -3.31 116.25 115.76 1s1i h VAL 70 Ca 0.00 -0.23 -0.47 0.00 -1.01 0.00 0.00 66.70 64.99 1s1i h VAL 70 Cb 0.00 1.19 0.05 0.00 -2.01 0.00 0.00 31.29 30.52 1s1i h VAL 70 CO 0.00 0.06 0.12 -0.94 -1.01 0.00 0.00 177.57 175.80 1s1i s SER 71 N -5.25 5.62 0.25 3.17 1.04 -1.26 -1.75 113.70 115.52 1s1i s SER 71 Ca -0.14 0.61 0.02 0.00 0.48 0.00 0.00 55.95 56.92 1s1i s SER 71 Cb 0.05 -1.64 -0.03 0.00 0.10 0.00 0.00 66.02 64.49 1s1i s SER 71 CO 0.66 -1.00 0.20 -0.89 0.98 0.00 0.00 173.24 173.19 1s1i s THR 72 N -2.91 0.00 0.75 2.02 2.01 -1.26 -4.60 115.64 111.65 1s1i s THR 72 Ca 0.53 -1.97 -0.11 0.00 0.31 0.00 0.00 61.69 60.45 1s1i s THR 72 Cb -0.10 -2.50 0.04 0.00 0.01 0.00 0.00 72.50 69.95 1s1i s THR 72 CO 0.44 0.00 1.09 0.00 -0.69 0.00 0.00 174.62 175.45 1s1i s ALA 73 N -3.86 2.50 -1.50 7.40 0.00 -1.26 -3.06 121.76 121.99 1s1i s ALA 73 Ca 0.39 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 1s1i s ALA 73 Cb 0.05 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1s1i s ALA 73 CO 0.18 -1.46 0.56 0.00 0.00 0.00 0.00 175.76 175.04 1s1i n ALA 74 N -3.26 -0.91 -1.39 0.00 0.00 -1.26 -4.77 120.51 108.92 1s1i n ALA 74 Ca 0.07 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1s1i n ALA 74 Cb 0.56 -3.69 0.00 0.00 0.00 0.00 0.00 19.45 16.32 1s1i n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i n ALA 75 N -3.41 0.48 -2.22 0.00 0.00 -1.18 -4.91 120.51 109.28 1s1i n ALA 75 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 1s1i n ALA 75 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 1s1i n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i s ALA 76 N -1.79 2.09 0.00 0.00 0.00 -1.17 -4.14 121.76 116.74 1s1i s ALA 76 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1s1i s ALA 76 Cb 0.00 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1s1i s ALA 76 CO 0.00 -4.26 0.00 0.25 0.00 0.00 0.00 175.76 171.75 1s1i n THR 77 N 7.41 0.00 -2.27 0.00 -2.24 -1.26 -4.89 114.28 111.02 1s1i n THR 77 Ca 0.33 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.78 1s1i n THR 77 Cb 0.49 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 1s1i n THR 77 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1s1i s VAL 78 N 2.39 3.68 0.00 2.28 -7.23 -1.26 -4.60 120.40 115.66 1s1i s VAL 78 Ca 0.00 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 1s1i s VAL 78 Cb 0.00 -4.54 0.00 0.00 0.56 0.00 0.00 36.38 32.40 1s1i s VAL 78 CO 0.00 -1.39 0.00 0.54 -0.31 0.00 0.00 175.10 173.94 1s1i n ARG 79 N 8.76 0.00 -1.91 4.82 3.00 -1.26 -4.86 116.66 125.21 1s1i n ARG 79 Ca 0.39 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.87 1s1i n ARG 79 Cb 0.48 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.99 1s1i n ARG 79 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1s1i s SER 80 N 1.75 4.97 0.00 0.55 1.04 -1.26 -5.09 113.70 115.66 1s1i s SER 80 Ca 0.00 2.48 0.10 0.00 0.48 0.00 0.00 55.95 59.01 1s1i s SER 80 Cb 0.00 -2.61 0.61 0.00 0.10 0.00 0.00 66.02 64.12 1s1i s SER 80 CO 0.00 -1.75 1.05 1.07 0.98 0.00 0.00 173.24 174.59