#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ry1 s LEU 3 N 0.00 3.14 0.54 7.52 2.96 -1.26 -1.06 118.68 130.51 1ry1 s LEU 3 Ca 0.00 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.67 1ry1 s LEU 3 Cb 0.00 -1.82 0.05 0.00 0.50 0.00 0.00 46.19 44.92 1ry1 s LEU 3 CO 0.00 -0.02 0.49 -0.76 -1.32 0.00 0.00 176.35 174.74 1ry1 s LEU 4 N 1.51 2.84 -0.12 -0.68 1.43 -0.25 -4.98 118.68 118.43 1ry1 s LEU 4 Ca 0.06 -1.12 -0.06 0.00 -1.03 0.00 0.00 54.13 51.97 1ry1 s LEU 4 Cb -0.15 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1ry1 s LEU 4 CO -0.00 -1.13 0.11 -0.70 0.23 0.00 0.00 176.35 174.86 1ry1 s GLU 5 N -4.36 3.44 0.00 1.70 2.12 -1.26 -4.53 118.70 115.81 1ry1 s GLU 5 Ca 0.41 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.55 1ry1 s GLU 5 Cb -0.03 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1ry1 s GLU 5 CO 0.26 0.70 0.00 0.43 -0.54 0.00 0.00 175.26 176.11 1ry1 n SER 6 N 2.20 0.00 0.00 -1.70 7.64 -1.26 -1.14 113.62 119.36 1ry1 n SER 6 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1ry1 n SER 6 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1ry1 n SER 6 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ry1 n GLU 7 N -0.68 0.00 0.00 1.43 2.13 -1.26 -3.50 120.64 118.76 1ry1 n GLU 7 Ca 0.00 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1ry1 n GLU 7 Cb 0.00 -0.75 0.00 0.00 0.27 0.00 0.00 31.44 30.96 1ry1 n GLU 7 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1ry1 n GLN 8 N -0.30 0.00 -0.31 5.31 -0.06 -0.30 0.22 117.38 121.94 1ry1 n GLN 8 Ca 0.00 0.00 0.15 0.00 -2.00 0.00 0.00 57.00 55.15 1ry1 n GLN 8 Cb 0.00 0.00 0.33 0.00 -4.06 0.00 0.00 30.24 26.51 1ry1 n GLN 8 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 1ry1 h PHE 9 N 0.00 0.61 -0.42 3.69 3.57 -1.57 -0.87 116.94 121.96 1ry1 h PHE 9 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1ry1 h PHE 9 Cb 0.00 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1ry1 h PHE 9 CO 0.00 -0.11 0.14 -0.07 -2.23 0.00 0.00 178.31 176.04 1ry1 h LEU 10 N 0.34 0.61 -0.42 0.59 3.38 0.25 -0.33 115.31 119.72 1ry1 h LEU 10 Ca 0.59 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 1ry1 h LEU 10 Cb 1.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1ry1 h LEU 10 CO -0.58 0.64 0.05 0.71 0.09 0.00 0.00 178.44 179.35 1ry1 h THR 11 N 0.54 1.25 -0.46 0.22 1.35 -1.27 0.49 112.91 115.03 1ry1 h THR 11 Ca 0.14 -0.93 0.01 0.00 -0.55 0.00 0.00 66.41 65.08 1ry1 h THR 11 Cb 0.24 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 1ry1 h THR 11 CO -0.01 0.32 0.30 -0.33 -0.25 0.00 0.00 175.52 175.55 1ry1 h GLU 12 N 0.56 0.59 -0.47 4.72 4.39 -1.22 -2.55 114.58 120.60 1ry1 h GLU 12 Ca 0.13 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.80 1ry1 h GLU 12 Cb 0.41 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1ry1 h GLU 12 CO 0.01 0.39 0.30 1.25 -1.16 0.00 0.00 179.01 179.80 1ry1 h LEU 13 N 0.61 0.50 -0.63 1.33 5.85 -0.67 -1.61 115.31 120.69 1ry1 h LEU 13 Ca 0.17 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.99 1ry1 h LEU 13 Cb -0.06 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.78 1ry1 h LEU 13 CO -0.04 0.36 0.23 0.74 -0.34 0.00 0.00 178.44 179.39 1ry1 h THR 14 N 0.60 0.74 -0.04 1.05 2.02 -0.65 -1.48 112.91 115.15 1ry1 h THR 14 Ca 0.18 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.25 1ry1 h THR 14 Cb -0.03 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 1ry1 h THR 14 CO -0.06 0.07 -0.15 0.03 0.37 0.00 0.00 175.52 175.78 1ry1 h ARG 15 N 0.40 -0.23 -1.22 6.66 3.08 -0.92 -1.98 114.38 120.16 1ry1 h ARG 15 Ca 0.32 0.02 0.38 0.00 0.07 0.00 0.00 59.98 60.77 1ry1 h ARG 15 Cb 0.42 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.40 1ry1 h ARG 15 CO -0.33 -0.15 0.79 -0.07 -1.07 0.00 0.00 179.97 179.14 1ry1 h LEU 16 N -0.24 0.31 -0.04 3.04 3.38 -0.38 0.97 115.31 122.35 1ry1 h LEU 16 Ca 0.06 0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 1ry1 h LEU 16 Cb 0.32 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1ry1 h LEU 16 CO -0.18 -0.11 -0.70 -0.26 0.09 0.00 0.00 178.44 177.29 1ry1 h PHE 17 N 0.18 0.78 0.00 1.13 0.04 -1.21 -3.16 116.94 114.69 1ry1 h PHE 17 Ca 0.75 -0.39 -0.05 0.00 2.80 0.00 0.00 57.97 61.07 1ry1 h PHE 17 Cb 2.23 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 40.28 1ry1 h PHE 17 CO -0.00 1.21 -0.26 1.96 -0.60 0.00 0.00 178.31 180.61 1ry1 h GLN 18 N 0.12 0.00 -0.82 1.51 4.20 0.80 -1.93 115.11 118.99 1ry1 h GLN 18 Ca -0.08 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.47 1ry1 h GLN 18 Cb 1.37 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 29.05 1ry1 h GLN 18 CO 0.14 0.26 0.21 1.17 -0.67 0.00 0.00 178.83 179.94 1ry1 n LYS 19 N -3.72 3.05 0.00 1.46 4.81 0.28 -3.85 118.16 120.19 1ry1 n LYS 19 Ca -0.01 -2.28 0.00 0.00 -0.87 0.00 0.00 58.31 55.15 1ry1 n LYS 19 Cb 0.37 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.44 1ry1 n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ry1 h ARG 21 N 0.00 0.00 0.00 0.00 2.43 -1.47 -2.59 114.38 112.75 1ry1 h ARG 21 Ca 0.00 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 1ry1 h ARG 21 Cb 0.73 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 1ry1 h ARG 21 CO 0.00 0.06 -1.73 2.41 -1.51 0.00 0.00 179.97 179.20 1ry1 n THR 22 N -3.66 1.46 -3.88 0.20 -1.04 -1.26 -5.04 114.28 101.06 1ry1 n THR 22 Ca -0.02 -0.77 -0.02 0.00 -2.04 0.00 0.00 64.05 61.19 1ry1 n THR 22 Cb 0.16 -0.88 0.01 0.00 -1.82 0.00 0.00 70.33 67.81 1ry1 n THR 22 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ry1 s SER 23 N -5.91 -0.01 0.03 8.00 0.15 -0.98 -5.17 113.70 109.81 1ry1 s SER 23 Ca -0.05 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1ry1 s SER 23 Cb 0.08 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1ry1 s SER 23 CO 0.82 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1ry1 n GLY 24 N -0.70 -2.21 3.34 9.45 0.00 -1.26 -4.37 105.19 109.45 1ry1 n GLY 24 Ca -0.03 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 1ry1 n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ry1 s SER 25 N -4.80 3.24 -0.43 1.61 0.01 -1.26 -4.93 113.70 107.13 1ry1 s SER 25 Ca 0.00 -0.42 -0.15 0.00 1.31 0.00 0.00 55.95 56.69 1ry1 s SER 25 Cb 0.00 -0.44 0.04 0.00 0.21 0.00 0.00 66.02 65.83 1ry1 s SER 25 CO 0.00 0.32 0.32 -0.69 0.41 0.00 0.00 173.24 173.61 1ry1 s VAL 26 N -0.63 5.18 0.32 3.43 1.01 -1.26 -4.43 120.40 124.02 1ry1 s VAL 26 Ca 0.10 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 1ry1 s VAL 26 Cb -0.10 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1ry1 s VAL 26 CO -0.01 -0.39 0.60 -0.31 0.00 0.00 0.00 175.10 174.99 1ry1 s TYR 27 N 1.65 3.48 -0.23 5.22 1.51 0.18 -4.95 117.35 124.21 1ry1 s TYR 27 Ca 0.04 0.68 -0.10 0.00 -1.01 0.00 0.00 57.07 56.68 1ry1 s TYR 27 Cb -0.21 -2.14 0.09 0.00 -0.11 0.00 0.00 41.96 39.59 1ry1 s TYR 27 CO 0.09 0.10 0.53 0.42 -1.11 0.00 0.00 175.55 175.57 1ry1 s ILE 28 N -2.19 -0.49 -0.04 2.71 1.01 -1.25 -2.08 121.20 118.87 1ry1 s ILE 28 Ca 0.45 0.08 0.05 0.00 0.00 0.00 0.00 60.65 61.22 1ry1 s ILE 28 Cb -0.10 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1ry1 s ILE 28 CO 0.32 0.03 -0.19 0.42 0.00 0.00 0.00 174.94 175.52 1ry1 s THR 29 N 2.25 1.54 0.10 2.92 -4.23 -0.59 -4.98 115.64 112.65 1ry1 s THR 29 Ca -0.06 -0.79 0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1ry1 s THR 29 Cb -0.10 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.39 1ry1 s THR 29 CO -0.16 0.44 0.07 -0.22 -0.54 0.00 0.00 174.62 174.21 1ry1 s LEU 30 N -0.06 3.72 -0.24 4.79 2.96 -1.26 -1.94 118.68 126.65 1ry1 s LEU 30 Ca -0.02 -0.08 -0.26 0.00 -0.22 0.00 0.00 54.13 53.54 1ry1 s LEU 30 Cb -0.11 -2.39 0.11 0.00 0.50 0.00 0.00 46.19 44.29 1ry1 s LEU 30 CO 0.02 0.15 0.93 -0.75 -1.32 0.00 0.00 176.35 175.38 1ry1 s LYS 31 N -2.53 0.64 -0.01 1.98 2.20 -0.73 -4.96 119.74 116.34 1ry1 s LYS 31 Ca 0.29 0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 56.16 1ry1 s LYS 31 Cb -0.12 0.31 -0.05 0.00 -1.51 0.00 0.00 37.83 36.46 1ry1 s LYS 31 CO 0.21 -0.12 1.36 0.21 -0.36 0.00 0.00 175.35 176.66 1ry1 s LYS 32 N -0.12 4.30 0.07 4.03 2.36 -1.26 0.16 119.74 129.29 1ry1 s LYS 32 Ca 0.00 1.91 0.06 0.00 -2.55 0.00 0.00 55.97 55.40 1ry1 s LYS 32 Cb -0.04 -3.56 -0.03 0.00 -1.05 0.00 0.00 37.83 33.15 1ry1 s LYS 32 CO -0.02 -0.55 -0.17 -0.47 1.55 0.00 0.00 175.35 175.70 1ry1 s TYR 33 N 2.33 1.46 0.00 4.03 5.04 -0.05 -4.76 117.35 125.41 1ry1 s TYR 33 Ca 0.62 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.83 1ry1 s TYR 33 Cb -0.30 -0.83 0.00 0.00 0.35 0.00 0.00 41.96 41.18 1ry1 s TYR 33 CO 0.26 0.11 0.00 -0.40 -1.34 0.00 0.00 175.55 174.17 1ry1 n ASP 34 N 1.36 0.00 -2.25 4.32 5.75 -1.26 -3.92 116.55 120.54 1ry1 n ASP 34 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.58 1ry1 n ASP 34 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1ry1 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ry1 n GLY 35 N 1.04 0.73 3.78 6.12 0.00 -1.26 -5.07 105.19 110.53 1ry1 n GLY 35 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ry1 n GLY 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ry1 s ASN 54 N 2.44 7.28 0.11 1.61 3.84 -1.26 -5.29 114.94 123.66 1ry1 s ASN 54 Ca 0.00 1.51 -0.03 0.00 0.21 0.00 0.00 52.86 54.56 1ry1 s ASN 54 Cb 0.00 -2.46 -0.03 0.00 -0.55 0.00 0.00 41.25 38.21 1ry1 s ASN 54 CO 0.00 0.20 0.07 -0.54 -2.79 0.00 0.00 177.10 174.05 1ry1 s LYS 55 N -0.99 0.85 0.03 0.43 1.02 -1.25 -2.96 119.74 116.86 1ry1 s LYS 55 Ca 0.34 -1.29 0.05 0.00 0.02 0.00 0.00 55.97 55.09 1ry1 s LYS 55 Cb -0.22 0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.33 1ry1 s LYS 55 CO 0.24 -0.24 -0.14 0.00 -0.92 0.00 0.00 175.35 174.29 1ry1 s LEU 57 N -0.99 4.08 -0.22 0.00 2.96 0.43 -1.93 118.68 123.01 1ry1 s LEU 57 Ca 0.02 0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 54.25 1ry1 s LEU 57 Cb -0.07 -2.43 -0.00 0.00 0.50 0.00 0.00 46.19 44.19 1ry1 s LEU 57 CO 0.01 -0.13 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.63 1ry1 s LEU 58 N 1.74 2.84 0.01 -0.68 2.96 -0.48 -1.77 118.68 123.30 1ry1 s LEU 58 Ca 0.16 -0.47 0.08 0.00 -0.22 0.00 0.00 54.13 53.68 1ry1 s LEU 58 Cb -0.15 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1ry1 s LEU 58 CO 0.09 -0.03 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.71 1ry1 s ARG 59 N 1.44 1.92 -0.00 1.98 0.52 -0.82 -0.81 118.95 123.18 1ry1 s ARG 59 Ca 0.05 -0.97 0.02 0.00 -0.52 0.00 0.00 55.73 54.31 1ry1 s ARG 59 Cb -0.14 -1.94 -0.01 0.00 0.52 0.00 0.00 34.95 33.38 1ry1 s ARG 59 CO -0.04 0.52 -0.06 0.00 0.02 0.00 0.00 175.30 175.73 1ry1 s ALA 60 N -0.67 0.52 -0.17 2.13 0.00 0.93 -1.54 121.76 122.95 1ry1 s ALA 60 Ca 0.10 -0.28 -0.18 0.00 0.00 0.00 0.00 51.96 51.60 1ry1 s ALA 60 Cb -0.10 -0.13 0.05 0.00 0.00 0.00 0.00 23.12 22.94 1ry1 s ALA 60 CO 0.00 0.12 0.50 0.99 0.00 0.00 0.00 175.76 177.37 1ry1 s THR 61 N -0.18 0.00 -2.39 0.00 2.01 -0.88 -1.33 115.64 112.87 1ry1 s THR 61 Ca 0.02 -0.02 0.19 0.00 0.31 0.00 0.00 61.69 62.19 1ry1 s THR 61 Cb -0.03 -0.70 0.17 0.00 0.01 0.00 0.00 72.50 71.95 1ry1 s THR 61 CO -0.00 -0.01 1.13 -0.90 -0.69 0.00 0.00 174.62 174.15 1ry1 n ASP 62 N 2.67 2.68 0.00 3.53 5.75 -1.16 -0.65 116.55 129.37 1ry1 n ASP 62 Ca -0.14 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1ry1 n ASP 62 Cb 0.57 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1ry1 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ry1 n GLY 63 N 1.11 2.80 0.63 6.12 0.00 -1.26 -4.57 105.19 110.02 1ry1 n GLY 63 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 1ry1 n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ry1 n LYS 64 N -0.97 0.22 -3.74 1.61 4.76 -1.26 -5.03 118.16 113.75 1ry1 n LYS 64 Ca 0.00 0.09 -0.37 0.00 -2.87 0.00 0.00 58.31 55.15 1ry1 n LYS 64 Cb 0.00 -0.87 -0.06 0.00 -1.84 0.00 0.00 35.03 32.26 1ry1 n LYS 64 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1ry1 s LYS 65 N -2.32 3.62 0.12 1.97 2.20 -1.26 -5.11 119.74 118.96 1ry1 s LYS 65 Ca -0.12 0.07 0.08 0.00 -0.36 0.00 0.00 55.97 55.64 1ry1 s LYS 65 Cb 0.02 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1ry1 s LYS 65 CO 0.18 0.74 -0.14 0.15 -0.36 0.00 0.00 175.35 175.92 1ry1 s LYS 66 N -1.03 1.93 -0.09 4.03 1.02 -1.26 -2.97 119.74 121.36 1ry1 s LYS 66 Ca 0.18 -1.13 -0.27 0.00 0.02 0.00 0.00 55.97 54.77 1ry1 s LYS 66 Cb -0.14 -2.19 0.06 0.00 -0.52 0.00 0.00 37.83 35.05 1ry1 s LYS 66 CO 0.07 0.49 0.63 0.96 -0.92 0.00 0.00 175.35 176.58 1ry1 s ILE 67 N -1.22 0.01 0.24 2.17 -4.36 -0.44 -4.19 121.20 113.39 1ry1 s ILE 67 Ca 0.20 -0.05 -0.13 0.00 -0.26 0.00 0.00 60.65 60.40 1ry1 s ILE 67 Cb -0.11 -0.94 -0.00 0.00 1.25 0.00 0.00 42.46 42.67 1ry1 s ILE 67 CO 0.12 -0.03 0.47 -0.94 0.24 0.00 0.00 174.94 174.80 1ry1 s SER 68 N -0.83 -0.10 0.21 4.36 1.04 -0.23 -0.05 113.70 118.10 1ry1 s SER 68 Ca -0.09 -0.87 -0.16 0.00 0.48 0.00 0.00 55.95 55.31 1ry1 s SER 68 Cb -0.02 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.70 1ry1 s SER 68 CO 0.07 -1.12 0.51 0.28 0.98 0.00 0.00 173.24 173.97 1ry1 s THR 69 N -4.00 0.02 -0.23 2.02 -1.32 0.01 -1.09 115.64 111.05 1ry1 s THR 69 Ca 0.20 -0.98 0.01 0.00 -1.21 0.00 0.00 61.69 59.72 1ry1 s THR 69 Cb -0.00 -1.77 0.06 0.00 -1.51 0.00 0.00 72.50 69.27 1ry1 s THR 69 CO 0.07 -0.10 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.61 1ry1 s VAL 70 N -3.91 1.76 -0.19 5.08 1.01 -1.26 -1.38 120.40 121.51 1ry1 s VAL 70 Ca 0.13 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 60.68 1ry1 s VAL 70 Cb -0.01 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1ry1 s VAL 70 CO 0.01 -0.01 0.28 -0.69 0.00 0.00 0.00 175.10 174.69 1ry1 s VAL 71 N 1.30 5.30 0.29 2.92 1.01 -0.81 -4.88 120.40 125.54 1ry1 s VAL 71 Ca -0.06 0.49 0.09 0.00 0.00 0.00 0.00 61.98 62.50 1ry1 s VAL 71 Cb -0.18 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1ry1 s VAL 71 CO -0.06 0.35 0.08 -0.94 0.00 0.00 0.00 175.10 174.53 1ry1 s SER 72 N 0.71 4.74 0.63 3.32 1.04 -1.26 -1.16 113.70 121.71 1ry1 s SER 72 Ca 0.15 -0.64 0.33 0.00 0.48 0.00 0.00 55.95 56.27 1ry1 s SER 72 Cb -0.13 -0.88 1.82 0.00 0.10 0.00 0.00 66.02 66.93 1ry1 s SER 72 CO 0.04 -0.12 2.12 0.77 0.98 0.00 0.00 173.24 177.03 1ry1 h SER 73 N 1.70 0.00 0.45 7.02 4.64 -1.96 -1.93 113.55 123.46 1ry1 h SER 73 Ca -0.45 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 1ry1 h SER 73 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1ry1 h SER 73 CO 0.61 0.00 -0.23 0.11 -0.87 0.00 0.00 176.83 176.45 1ry1 h LYS 74 N 0.00 0.00 0.00 4.77 1.79 -1.95 -3.32 116.57 117.86 1ry1 h LYS 74 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1ry1 h LYS 74 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1ry1 h LYS 74 CO -0.00 0.23 0.00 -0.85 -1.08 0.00 0.00 179.45 177.75 1ry1 n GLU 75 N -3.80 2.47 -0.34 3.15 0.28 -0.77 -4.83 120.64 116.81 1ry1 n GLU 75 Ca -0.02 -0.20 0.27 0.00 -0.16 0.00 0.00 57.16 57.06 1ry1 n GLU 75 Cb 0.33 -0.65 0.52 0.00 1.43 0.00 0.00 31.44 33.07 1ry1 n GLU 75 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1ry1 h VAL 76 N 0.10 0.21 0.24 3.84 -1.51 -1.53 0.94 116.25 118.53 1ry1 h VAL 76 Ca 0.00 -0.08 -0.01 0.00 -1.23 0.00 0.00 66.70 65.38 1ry1 h VAL 76 Cb 0.05 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.18 1ry1 h VAL 76 CO 0.00 0.04 -0.11 0.78 -1.23 0.00 0.00 177.57 177.05 1ry1 h ASN 77 N 0.23 -0.27 -0.75 4.19 2.35 -1.88 0.71 115.58 120.17 1ry1 h ASN 77 Ca 0.77 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 56.28 1ry1 h ASN 77 Cb 1.87 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 40.28 1ry1 h ASN 77 CO -0.64 0.09 0.38 0.11 -1.65 0.00 0.00 177.43 175.73 1ry1 h LYS 78 N -0.66 1.06 0.03 0.81 1.57 -1.63 -1.95 116.57 115.80 1ry1 h LYS 78 Ca -0.03 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1ry1 h LYS 78 Cb 0.47 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ry1 h LYS 78 CO 0.05 0.81 -0.02 0.35 -0.57 0.00 0.00 179.45 180.08 1ry1 h PHE 79 N 1.04 -0.04 -0.13 -1.35 3.57 -0.89 -3.10 116.94 116.04 1ry1 h PHE 79 Ca 0.26 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.79 1ry1 h PHE 79 Cb 0.08 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1ry1 h PHE 79 CO 0.00 0.38 0.12 1.96 -2.23 0.00 0.00 178.31 178.55 1ry1 h GLN 80 N -0.48 0.00 0.56 1.11 4.20 -0.78 0.40 115.11 120.12 1ry1 h GLN 80 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1ry1 h GLN 80 Cb 0.45 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.23 1ry1 h GLN 80 CO 0.01 0.00 -0.27 1.98 -0.67 0.00 0.00 178.83 179.88 1ry1 h MET 81 N 0.00 -0.73 -0.29 1.46 4.05 -1.27 -0.91 114.93 117.24 1ry1 h MET 81 Ca 0.06 0.05 -0.18 0.00 -0.28 0.00 0.00 59.70 59.35 1ry1 h MET 81 Cb 0.29 0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1ry1 h MET 81 CO -0.00 -0.47 -0.51 0.00 0.23 0.00 0.00 176.91 176.17 1ry1 h ALA 82 N -0.38 0.46 -0.60 0.39 0.00 -1.46 -2.99 119.26 114.67 1ry1 h ALA 82 Ca -0.08 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.37 1ry1 h ALA 82 Cb 0.60 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1ry1 h ALA 82 CO 0.13 0.64 0.40 -0.92 0.00 0.00 0.00 179.25 179.50 1ry1 h TYR 83 N 0.64 0.68 -0.19 0.00 3.20 -0.93 -0.15 116.97 120.22 1ry1 h TYR 83 Ca 0.02 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 1ry1 h TYR 83 Cb 1.11 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1ry1 h TYR 83 CO 0.07 0.40 -0.44 1.03 -1.64 0.00 0.00 178.16 177.58 1ry1 h SER 84 N 0.71 0.72 -0.48 -2.11 0.87 -1.13 -1.71 113.55 110.41 1ry1 h SER 84 Ca 0.24 -0.56 -0.05 0.00 -1.23 0.00 0.00 61.79 60.19 1ry1 h SER 84 Cb 0.08 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1ry1 h SER 84 CO -0.06 1.15 0.12 0.78 -0.53 0.00 0.00 176.83 178.28 1ry1 h ASN 85 N 0.32 0.73 -0.02 6.23 -0.26 -1.30 -2.49 115.58 118.79 1ry1 h ASN 85 Ca -0.00 -0.23 0.03 0.00 -0.56 0.00 0.00 56.30 55.54 1ry1 h ASN 85 Cb 1.05 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 38.08 1ry1 h ASN 85 CO 0.10 0.77 -0.18 0.25 -1.06 0.00 0.00 177.43 177.31 1ry1 h LEU 86 N 0.66 -0.52 -0.97 1.61 6.46 -0.97 -0.46 115.31 121.12 1ry1 h LEU 86 Ca 0.15 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 1ry1 h LEU 86 Cb 0.32 0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1ry1 h LEU 86 CO 0.00 -0.24 0.34 -0.07 -0.62 0.00 0.00 178.44 177.85 1ry1 h LEU 87 N -0.28 0.98 -0.52 2.25 3.38 -1.26 -2.26 115.31 117.59 1ry1 h LEU 87 Ca 0.06 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1ry1 h LEU 87 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ry1 h LEU 87 CO -0.18 0.84 -0.54 0.03 0.09 0.00 0.00 178.44 178.68 1ry1 h ARG 88 N 1.06 0.55 0.04 1.13 3.08 -1.09 -2.65 114.38 116.51 1ry1 h ARG 88 Ca 0.25 -0.35 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 1ry1 h ARG 88 Cb 0.14 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.24 1ry1 h ARG 88 CO -0.03 0.95 -0.59 0.00 -1.07 0.00 0.00 179.97 179.23 1ry1 h ALA 89 N 0.98 0.02 0.00 0.04 0.00 -1.01 -3.32 119.26 115.97 1ry1 h ALA 89 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ry1 h ALA 89 Cb 1.09 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ry1 h ALA 89 CO 0.10 0.31 0.00 -0.91 0.00 0.00 0.00 179.25 178.76 1ry1 h ASN 90 N -0.25 0.00 -0.53 0.00 2.35 -1.50 -3.21 115.58 112.44 1ry1 h ASN 90 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1ry1 h ASN 90 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 1ry1 h ASN 90 CO 0.12 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 176.13 1ry1 n MET 91 N -2.62 3.81 -2.70 0.81 2.81 -1.00 -4.83 117.12 113.41 1ry1 n MET 91 Ca 0.03 -2.57 -0.42 0.00 -1.81 0.00 0.00 57.70 52.93 1ry1 n MET 91 Cb 0.37 -1.97 -0.03 0.00 -0.71 0.00 0.00 33.22 30.87 1ry1 n MET 91 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1ry1 s ASP 92 N -0.76 6.26 0.00 7.83 1.47 -1.21 -4.23 116.67 126.03 1ry1 s ASP 92 Ca 0.45 -0.94 0.00 0.00 1.18 0.00 0.00 52.55 53.24 1ry1 s ASP 92 Cb 0.32 -2.50 0.00 0.00 -0.34 0.00 0.00 42.92 40.40 1ry1 s ASP 92 CO 0.18 -1.58 0.00 0.61 0.68 0.00 0.00 175.17 175.06 1ry1 n GLY 93 N 5.59 0.57 3.94 2.12 0.00 -1.26 -5.14 105.19 111.01 1ry1 n GLY 93 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1ry1 n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ry1 s LEU 94 N 0.00 2.83 0.00 0.99 1.02 -1.26 -5.31 118.68 116.95 1ry1 s LEU 94 Ca 0.00 0.32 0.00 0.00 0.02 0.00 0.00 54.13 54.47 1ry1 s LEU 94 Cb 0.00 -2.84 0.00 0.00 0.02 0.00 0.00 46.19 43.37 1ry1 s LEU 94 CO 0.00 -1.79 0.00 0.29 0.02 0.00 0.00 176.35 174.87