#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sb3 s LYS 2 N 0.00 3.68 0.05 2.12 1.02 -1.26 0.16 119.74 125.52 1sb3 s LYS 2 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.13 1sb3 s LYS 2 Cb 0.00 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 1sb3 s LYS 2 CO 0.00 0.72 -0.04 -0.80 -0.92 0.00 0.00 175.35 174.30 1sb3 s ASN 3 N -1.16 0.63 0.25 2.83 0.01 -0.24 -4.86 114.94 112.39 1sb3 s ASN 3 Ca 0.21 -0.83 -0.30 0.00 -0.71 0.00 0.00 52.86 51.23 1sb3 s ASN 3 Cb -0.14 0.13 -0.10 0.00 0.41 0.00 0.00 41.25 41.55 1sb3 s ASN 3 CO 0.10 -0.45 1.45 -0.63 -1.51 0.00 0.00 177.10 176.06 1sb3 s ILE 4 N -2.99 2.63 -0.12 0.60 1.01 -1.26 -1.06 121.20 120.02 1sb3 s ILE 4 Ca 0.01 0.53 0.01 0.00 0.00 0.00 0.00 60.65 61.19 1sb3 s ILE 4 Cb 0.01 -3.34 0.02 0.00 0.01 0.00 0.00 42.46 39.16 1sb3 s ILE 4 CO -0.06 0.08 -0.12 -0.22 0.00 0.00 0.00 174.94 174.63 1sb3 s LEU 5 N -0.30 1.52 -0.09 2.97 2.96 0.16 -4.90 118.68 121.00 1sb3 s LEU 5 Ca 0.60 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 1sb3 s LEU 5 Cb -0.42 -1.00 -0.00 0.00 0.50 0.00 0.00 46.19 45.27 1sb3 s LEU 5 CO 0.43 -0.05 -0.23 -0.13 -1.32 0.00 0.00 176.35 175.05 1sb3 s ARG 6 N 1.34 2.94 0.30 1.98 0.52 -1.26 -1.06 118.95 123.71 1sb3 s ARG 6 Ca -0.00 -0.87 -0.19 0.00 -0.52 0.00 0.00 55.73 54.15 1sb3 s ARG 6 Cb -0.14 -2.29 0.06 0.00 0.52 0.00 0.00 34.95 33.10 1sb3 s ARG 6 CO -0.06 0.24 0.86 -0.48 0.02 0.00 0.00 175.30 175.88 1sb3 s LEU 7 N 0.20 -0.05 -0.19 2.53 0.05 -1.00 0.11 118.68 120.32 1sb3 s LEU 7 Ca -0.14 -0.88 -0.02 0.00 0.05 0.00 0.00 54.13 53.14 1sb3 s LEU 7 Cb -0.17 2.58 -0.01 0.00 -2.05 0.00 0.00 46.19 46.54 1sb3 s LEU 7 CO 0.07 -1.39 -0.08 -0.89 -0.55 0.00 0.00 176.35 173.51 1sb3 s THR 8 N -2.61 3.15 -0.19 5.48 2.01 -0.58 -0.90 115.64 122.00 1sb3 s THR 8 Ca 0.16 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1sb3 s THR 8 Cb -0.04 -2.39 0.03 0.00 0.01 0.00 0.00 72.50 70.10 1sb3 s THR 8 CO 0.08 0.47 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.08 1sb3 s LEU 9 N 1.11 2.27 -1.55 4.42 2.96 0.66 0.24 118.68 128.79 1sb3 s LEU 9 Ca 0.01 -0.75 -0.13 0.00 -0.22 0.00 0.00 54.13 53.04 1sb3 s LEU 9 Cb -0.15 -1.45 0.09 0.00 0.50 0.00 0.00 46.19 45.18 1sb3 s LEU 9 CO -0.02 -0.04 0.87 0.59 -1.32 0.00 0.00 176.35 176.43 1sb3 n ASN 10 N 4.61 -3.76 0.00 3.68 3.02 0.12 -0.82 115.26 122.11 1sb3 n ASN 10 Ca -0.19 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1sb3 n ASN 10 Cb 0.49 -3.53 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 1sb3 n ASN 10 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sb3 n GLY 11 N -1.63 1.14 3.28 7.41 0.00 -1.26 -4.97 105.19 109.16 1sb3 n GLY 11 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1sb3 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sb3 s ARG 12 N -0.24 2.04 0.17 1.61 0.52 0.00 -5.10 118.95 117.96 1sb3 s ARG 12 Ca 0.00 -0.88 -0.31 0.00 -0.52 0.00 0.00 55.73 54.02 1sb3 s ARG 12 Cb 0.00 -1.95 -0.09 0.00 0.52 0.00 0.00 34.95 33.44 1sb3 s ARG 12 CO 0.00 0.52 1.36 0.00 0.02 0.00 0.00 175.30 177.20 1sb3 s ALA 13 N -0.54 3.57 0.05 2.13 0.00 -1.26 -0.25 121.76 125.46 1sb3 s ALA 13 Ca 0.08 1.14 0.09 0.00 0.00 0.00 0.00 51.96 53.28 1sb3 s ALA 13 Cb -0.10 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 1sb3 s ALA 13 CO -0.01 -0.59 -0.26 1.03 0.00 0.00 0.00 175.76 175.93 1sb3 s ARG 14 N 0.34 1.77 -0.31 0.00 1.81 -0.08 -4.90 118.95 117.59 1sb3 s ARG 14 Ca 0.60 -1.13 0.01 0.00 -1.72 0.00 0.00 55.73 53.49 1sb3 s ARG 14 Cb -0.37 -1.98 0.14 0.00 -0.45 0.00 0.00 34.95 32.29 1sb3 s ARG 14 CO 0.36 0.51 0.33 -2.00 -0.68 0.00 0.00 175.30 173.81 1sb3 s GLU 15 N -1.33 0.41 0.13 3.54 2.12 -1.25 -2.38 118.70 119.94 1sb3 s GLU 15 Ca 0.12 -0.28 0.06 0.00 0.36 0.00 0.00 54.97 55.22 1sb3 s GLU 15 Cb -0.10 -0.63 -0.04 0.00 0.26 0.00 0.00 34.13 33.63 1sb3 s GLU 15 CO 0.03 -1.07 -0.14 -0.51 -0.54 0.00 0.00 175.26 173.03 1sb3 s ASP 16 N 2.16 1.99 -0.38 -1.70 -0.00 -0.22 -4.94 116.67 113.56 1sb3 s ASP 16 Ca 0.11 -0.84 -0.20 0.00 -0.00 0.00 0.00 52.55 51.62 1sb3 s ASP 16 Cb -0.14 -0.06 0.01 0.00 -0.00 0.00 0.00 42.92 42.73 1sb3 s ASP 16 CO -0.25 -0.17 0.62 -0.76 -0.00 0.00 0.00 175.17 174.61 1sb3 s LEU 17 N -2.56 4.36 -0.02 1.23 1.43 -1.26 0.38 118.68 122.23 1sb3 s LEU 17 Ca 0.10 -0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 1sb3 s LEU 17 Cb -0.04 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 1sb3 s LEU 17 CO 0.03 -0.64 -0.22 -0.69 0.23 0.00 0.00 176.35 175.06 1sb3 s VAL 18 N 2.70 1.74 0.39 -1.59 1.01 -0.22 -4.84 120.40 119.59 1sb3 s VAL 18 Ca 0.23 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1sb3 s VAL 18 Cb -0.14 -1.45 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 1sb3 s VAL 18 CO 0.16 0.49 1.39 -2.65 0.00 0.00 0.00 175.10 174.49 1sb3 n PRO 19 N 2.64 2.32 0.06 2.72 -0.02 -1.26 -1.08 135.00 140.37 1sb3 n PRO 19 Ca -0.16 0.82 0.07 0.00 -2.02 0.00 0.00 63.50 62.21 1sb3 n PRO 19 Cb 0.52 -2.53 0.51 0.00 -0.02 0.00 0.00 33.50 31.98 1sb3 n PRO 19 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1sb3 h ASP 20 N 2.55 0.30 -0.43 2.55 3.45 -0.64 -2.12 116.42 122.08 1sb3 h ASP 20 Ca -0.49 -0.00 -0.03 0.00 0.43 0.00 0.00 57.03 56.93 1sb3 h ASP 20 Cb 1.27 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.95 1sb3 h ASP 20 CO 0.62 0.21 0.04 -0.46 -1.57 0.00 0.00 179.24 178.08 1sb3 n ASN 21 N -4.49 4.26 -4.73 6.45 2.04 -1.26 -4.77 115.26 112.76 1sb3 n ASN 21 Ca 0.03 -2.70 -0.39 0.00 -0.44 0.00 0.00 54.58 51.08 1sb3 n ASN 21 Cb 0.14 -0.64 -0.05 0.00 -2.53 0.00 0.00 39.78 36.70 1sb3 n ASN 21 CO 0.00 0.00 0.00 -0.32 -0.44 0.00 0.00 177.26 176.50 1sb3 s MET 22 N -2.24 4.40 0.41 -3.83 1.75 -0.80 -5.00 119.30 113.98 1sb3 s MET 22 Ca 0.38 0.79 -0.24 0.00 -1.25 0.00 0.00 55.69 55.38 1sb3 s MET 22 Cb 0.30 -3.42 -0.09 0.00 2.84 0.00 0.00 34.83 34.46 1sb3 s MET 22 CO 0.11 0.17 1.07 -0.51 -0.65 0.00 0.00 175.02 175.21 1sb3 s LEU 23 N 0.48 4.13 0.31 4.11 1.43 -1.26 -0.22 118.68 127.66 1sb3 s LEU 23 Ca 0.34 2.09 0.05 0.00 -1.03 0.00 0.00 54.13 55.58 1sb3 s LEU 23 Cb -0.18 -4.18 0.68 0.00 0.03 0.00 0.00 46.19 42.54 1sb3 s LEU 23 CO 0.17 -0.55 1.85 0.25 0.23 0.00 0.00 176.35 178.29 1sb3 h LEU 24 N 2.46 0.81 -0.32 1.79 5.85 -0.39 -1.43 115.31 124.08 1sb3 h LEU 24 Ca -0.48 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.33 1sb3 h LEU 24 Cb 1.22 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1sb3 h LEU 24 CO 0.62 0.41 0.06 0.25 -0.34 0.00 0.00 178.44 179.44 1sb3 h LEU 25 N 0.86 -0.00 -0.43 2.25 5.85 -1.41 -0.30 115.31 122.12 1sb3 h LEU 25 Ca 0.48 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 59.09 1sb3 h LEU 25 Cb 0.60 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1sb3 h LEU 25 CO -0.24 0.04 -0.49 0.44 -0.34 0.00 0.00 178.44 177.84 1sb3 h ASP 26 N 0.17 0.83 -0.33 1.25 3.32 -1.67 -0.89 116.42 119.10 1sb3 h ASP 26 Ca 0.15 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 56.82 1sb3 h ASP 26 Cb 0.17 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1sb3 h ASP 26 CO -0.20 1.18 0.12 0.22 -1.72 0.00 0.00 179.24 178.84 1sb3 h TYR 27 N 0.60 0.22 -0.03 4.55 3.20 -1.05 0.33 116.97 124.79 1sb3 h TYR 27 Ca 0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1sb3 h TYR 27 Cb 1.06 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1sb3 h TYR 27 CO 0.06 0.10 0.00 -0.07 -1.64 0.00 0.00 178.16 176.61 1sb3 h LEU 28 N 0.27 0.05 -0.08 2.82 3.38 -0.92 -0.27 115.31 120.56 1sb3 h LEU 28 Ca 0.14 -0.27 -0.25 0.00 0.09 0.00 0.00 57.88 57.60 1sb3 h LEU 28 Cb 0.11 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.86 1sb3 h LEU 28 CO -0.14 0.31 -0.93 0.03 0.09 0.00 0.00 178.44 177.80 1sb3 h ARG 29 N -0.21 0.73 0.01 1.13 3.08 -1.08 0.11 114.38 118.16 1sb3 h ARG 29 Ca 0.01 -0.70 -0.39 0.00 0.07 0.00 0.00 59.98 58.96 1sb3 h ARG 29 Cb 0.28 0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1sb3 h ARG 29 CO 0.00 1.29 -2.43 0.39 -1.07 0.00 0.00 179.97 178.15 1sb3 n GLU 30 N -3.89 0.65 -0.04 0.04 1.02 0.12 -3.02 120.64 115.52 1sb3 n GLU 30 Ca -0.09 0.17 -0.15 0.00 -0.02 0.00 0.00 57.16 57.07 1sb3 n GLU 30 Cb 0.82 -1.54 -0.13 0.00 -0.02 0.00 0.00 31.44 30.58 1sb3 n GLU 30 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1sb3 h THR 31 N -0.09 1.69 0.00 2.62 2.02 -1.13 -3.34 112.91 114.68 1sb3 h THR 31 Ca -0.57 -2.22 0.00 0.00 0.77 0.00 0.00 66.41 64.38 1sb3 h THR 31 Cb 1.88 3.18 0.00 0.00 -1.74 0.00 0.00 68.15 71.47 1sb3 h THR 31 CO -0.10 0.59 -0.79 0.58 0.37 0.00 0.00 175.52 176.16 1sb3 h VAL 32 N -0.80 0.00 -0.09 3.16 2.07 -1.16 -3.48 116.25 115.95 1sb3 h VAL 32 Ca -0.02 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1sb3 h VAL 32 Cb 1.05 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1sb3 h VAL 32 CO 0.03 0.00 -0.03 0.61 0.02 0.00 0.00 177.57 178.20 1sb3 n GLY 33 N 1.26 0.47 3.39 2.17 0.00 -0.90 -5.00 105.19 106.57 1sb3 n GLY 33 Ca 0.02 -1.00 -0.45 0.00 0.00 0.00 0.00 46.02 44.59 1sb3 n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sb3 s LEU 34 N -0.35 5.30 0.00 0.99 1.43 0.34 -4.90 118.68 121.48 1sb3 s LEU 34 Ca 0.00 -1.52 0.23 0.00 -1.03 0.00 0.00 54.13 51.81 1sb3 s LEU 34 Cb 0.00 -2.32 1.05 0.00 0.03 0.00 0.00 46.19 44.94 1sb3 s LEU 34 CO 0.00 -1.12 1.71 0.35 0.23 0.00 0.00 176.35 177.52 1sb3 n THR 35 N 5.49 0.09 -0.17 5.49 -2.24 -1.26 -3.79 114.28 117.89 1sb3 n THR 35 Ca -0.04 -0.19 -0.07 0.00 -2.27 0.00 0.00 64.05 61.49 1sb3 n THR 35 Cb 0.44 0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.78 1sb3 n THR 35 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1sb3 h GLY 36 N 5.10 0.71 -5.14 3.38 0.00 -1.96 -3.40 103.07 101.76 1sb3 h GLY 36 Ca 0.00 -0.27 -0.55 0.00 0.00 0.00 0.00 47.33 46.51 1sb3 h GLY 36 CO 0.00 0.27 1.01 -1.59 0.00 0.00 0.00 176.54 176.23 1sb3 s THR 37 N -6.10 3.64 0.38 4.70 2.01 -1.26 -4.73 115.64 114.28 1sb3 s THR 37 Ca -0.13 0.86 0.07 0.00 0.31 0.00 0.00 61.69 62.81 1sb3 s THR 37 Cb 0.12 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 1sb3 s THR 37 CO 0.74 -0.06 0.41 -0.54 -0.69 0.00 0.00 174.62 174.49 1sb3 s LYS 38 N 3.53 2.77 -0.24 4.92 -0.14 -1.14 -4.90 119.74 124.54 1sb3 s LYS 38 Ca 0.69 -1.29 0.01 0.00 -1.36 0.00 0.00 55.97 54.02 1sb3 s LYS 38 Cb -0.32 -2.58 0.04 0.00 -1.68 0.00 0.00 37.83 33.29 1sb3 s LYS 38 CO 0.27 -0.07 -0.12 -1.14 -0.76 0.00 0.00 175.35 173.54 1sb3 s GLN 39 N -4.15 2.64 0.00 1.68 0.74 -1.26 -2.61 119.66 116.70 1sb3 s GLN 39 Ca 0.47 -1.08 0.10 0.00 0.05 0.00 0.00 55.36 54.89 1sb3 s GLN 39 Cb -0.07 -2.84 -0.01 0.00 1.10 0.00 0.00 33.01 31.19 1sb3 s GLN 39 CO 0.29 -0.42 0.59 0.41 -0.55 0.00 0.00 175.29 175.61 1sb3 n GLY 40 N 4.57 -0.12 1.79 2.59 0.00 -1.26 -5.05 105.19 107.70 1sb3 n GLY 40 Ca -0.17 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 1sb3 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sb3 n ASP 42 N -1.68 3.13 0.00 0.00 8.00 -1.26 -4.90 116.55 119.84 1sb3 n ASP 42 Ca -0.01 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1sb3 n ASP 42 Cb 0.30 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1sb3 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sb3 n GLY 43 N 1.44 0.28 2.45 0.44 0.00 -1.26 -5.03 105.19 103.50 1sb3 n GLY 43 Ca 0.20 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1sb3 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sb3 n GLY 44 N 0.00 0.37 0.01 -0.02 0.00 -1.26 -4.92 105.19 99.37 1sb3 n GLY 44 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1sb3 n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sb3 n GLU 45 N -1.68 0.19 0.00 1.61 1.02 -1.26 -4.75 120.64 115.77 1sb3 n GLU 45 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1sb3 n GLU 45 Cb 0.15 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1sb3 n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sb3 n GLY 47 N 1.12 0.46 0.28 0.00 0.00 -1.21 -1.55 105.19 104.29 1sb3 n GLY 47 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 1sb3 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sb3 h ALA 48 N 0.00 1.12 -0.58 4.61 0.00 -1.89 -2.26 119.26 120.26 1sb3 h ALA 48 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sb3 h ALA 48 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1sb3 h ALA 48 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1sb3 s THR 50 N -1.80 2.76 0.32 0.00 2.01 -0.85 -1.75 115.64 116.32 1sb3 s THR 50 Ca 0.45 0.56 0.04 0.00 0.31 0.00 0.00 61.69 63.05 1sb3 s THR 50 Cb 0.29 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 1sb3 s THR 50 CO 0.22 0.05 0.17 0.68 -0.69 0.00 0.00 174.62 175.05 1sb3 s VAL 51 N 0.94 0.31 -0.12 3.82 -7.23 -0.50 -4.44 120.40 113.19 1sb3 s VAL 51 Ca 0.67 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.81 1sb3 s VAL 51 Cb -0.42 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 1sb3 s VAL 51 CO 0.33 0.00 -0.00 -0.76 -0.31 0.00 0.00 175.10 174.36 1sb3 s LEU 52 N -3.40 3.51 -0.20 1.32 1.43 -0.04 -0.97 118.68 120.33 1sb3 s LEU 52 Ca 0.35 0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1sb3 s LEU 52 Cb 0.04 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.49 1sb3 s LEU 52 CO 0.18 0.29 -0.04 -0.69 0.23 0.00 0.00 176.35 176.33 1sb3 s VAL 53 N -0.37 1.20 -1.35 -1.59 1.01 -0.06 -0.96 120.40 118.28 1sb3 s VAL 53 Ca 0.07 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1sb3 s VAL 53 Cb -0.12 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1sb3 s VAL 53 CO 0.02 -0.04 0.58 0.47 0.00 0.00 0.00 175.10 176.13 1sb3 n ASP 54 N 4.81 -0.82 0.00 3.32 8.00 0.45 -1.79 116.55 130.52 1sb3 n ASP 54 Ca -0.11 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1sb3 n ASP 54 Cb 0.46 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 1sb3 n ASP 54 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1sb3 n ASP 55 N -3.02 0.00 -4.73 -2.24 10.43 -1.26 -4.99 116.55 110.73 1sb3 n ASP 55 Ca -0.30 0.00 -0.31 0.00 2.57 0.00 0.00 54.79 56.74 1sb3 n ASP 55 Cb 0.68 -0.66 -0.08 0.00 1.84 0.00 0.00 41.12 42.90 1sb3 n ASP 55 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1sb3 s ARG 56 N -0.11 2.82 0.40 -1.24 1.81 -0.74 -4.63 118.95 117.27 1sb3 s ARG 56 Ca 0.00 -0.66 -0.26 0.00 -1.72 0.00 0.00 55.73 53.10 1sb3 s ARG 56 Cb 0.00 -2.70 -0.09 0.00 -0.45 0.00 0.00 34.95 31.71 1sb3 s ARG 56 CO 0.00 0.59 1.22 -1.25 -0.68 0.00 0.00 175.30 175.19 1sb3 s PRO 57 N -2.01 4.04 -0.10 3.54 0.04 -1.26 -0.88 135.00 138.37 1sb3 s PRO 57 Ca 0.25 1.97 -0.07 0.00 0.04 0.00 0.00 61.00 63.18 1sb3 s PRO 57 Cb -0.12 -2.73 0.03 0.00 0.04 0.00 0.00 34.50 31.72 1sb3 s PRO 57 CO 0.16 -0.37 0.24 0.50 0.04 0.00 0.00 177.00 177.58 1sb3 s ARG 58 N -2.24 0.26 -0.51 4.56 6.06 -0.14 -4.85 118.95 122.09 1sb3 s ARG 58 Ca 0.56 0.40 -0.28 0.00 -2.50 0.00 0.00 55.73 53.91 1sb3 s ARG 58 Cb -0.34 0.06 0.03 0.00 0.06 0.00 0.00 34.95 34.76 1sb3 s ARG 58 CO 0.43 -0.07 1.14 -0.51 -2.50 0.00 0.00 175.30 173.78 1sb3 s LEU 59 N 0.47 3.61 0.55 -0.88 1.43 -1.26 -1.41 118.68 121.19 1sb3 s LEU 59 Ca -0.03 0.30 0.21 0.00 -1.03 0.00 0.00 54.13 53.59 1sb3 s LEU 59 Cb -0.04 -3.39 1.48 0.00 0.03 0.00 0.00 46.19 44.27 1sb3 s LEU 59 CO -0.02 -1.32 2.19 0.00 0.23 0.00 0.00 176.35 177.43 1sb3 h ALA 60 N 9.33 1.83 0.00 4.21 0.00 -1.70 -1.01 119.26 131.92 1sb3 h ALA 60 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1sb3 h ALA 60 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1sb3 h ALA 60 CO 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 180.38 1sb3 n SER 62 N -2.41 4.28 -3.76 0.00 7.64 -0.40 -4.90 113.62 114.08 1sb3 n SER 62 Ca 0.04 -3.59 -0.14 0.00 1.01 0.00 0.00 58.87 56.19 1sb3 n SER 62 Cb 0.38 -0.37 -0.15 0.00 -1.01 0.00 0.00 64.21 63.06 1sb3 n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1sb3 s THR 63 N -4.35 -0.05 0.23 0.44 2.01 -1.14 -4.89 115.64 107.88 1sb3 s THR 63 Ca 0.47 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.36 1sb3 s THR 63 Cb 0.40 -0.18 -0.09 0.00 0.01 0.00 0.00 72.50 72.65 1sb3 s THR 63 CO 0.02 0.08 1.00 -0.76 -0.69 0.00 0.00 174.62 174.27 1sb3 s LEU 64 N 1.09 4.59 0.36 4.42 1.43 -1.26 -0.02 118.68 129.29 1sb3 s LEU 64 Ca -0.09 2.03 0.09 0.00 -1.03 0.00 0.00 54.13 55.13 1sb3 s LEU 64 Cb -0.12 -3.61 0.82 0.00 0.03 0.00 0.00 46.19 43.31 1sb3 s LEU 64 CO -0.05 0.01 1.90 0.00 0.23 0.00 0.00 176.35 178.45 1sb3 h ALA 65 N 4.37 1.82 0.00 4.21 0.00 -0.80 -0.44 119.26 128.43 1sb3 h ALA 65 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1sb3 h ALA 65 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1sb3 h ALA 65 CO 0.69 -0.02 0.00 0.72 0.00 0.00 0.00 179.25 180.64 1sb3 n HIS 66 N -4.52 0.43 0.84 0.00 -0.00 -1.26 -2.38 115.22 108.33 1sb3 n HIS 66 Ca 0.15 0.18 0.13 0.00 -0.00 0.00 0.00 57.72 58.18 1sb3 n HIS 66 Cb 0.40 -0.78 0.53 0.00 -0.00 0.00 0.00 29.99 30.14 1sb3 n HIS 66 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1sb3 n GLN 67 N -1.90 0.08 -0.69 -0.41 6.02 -0.17 -3.19 117.38 117.12 1sb3 n GLN 67 Ca 0.02 0.09 0.09 0.00 -0.01 0.00 0.00 57.00 57.20 1sb3 n GLN 67 Cb 0.18 -1.60 0.37 0.00 1.02 0.00 0.00 30.24 30.21 1sb3 n GLN 67 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1sb3 n VAL 68 N -1.75 2.09 -1.65 5.09 0.24 -1.00 -4.98 118.33 116.37 1sb3 n VAL 68 Ca 0.06 -1.27 -0.46 0.00 -2.04 0.00 0.00 64.34 60.64 1sb3 n VAL 68 Cb 0.35 0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.71 1sb3 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sb3 n ALA 69 N 0.98 0.72 -0.92 2.33 0.00 -1.19 -1.25 120.51 121.18 1sb3 n ALA 69 Ca 0.26 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1sb3 n ALA 69 Cb 0.98 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1sb3 n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sb3 n GLY 70 N 2.26 0.53 3.94 0.00 0.00 0.31 -4.96 105.19 107.26 1sb3 n GLY 70 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1sb3 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sb3 s LYS 71 N -0.45 2.47 -0.34 1.61 1.02 -0.38 -4.88 119.74 118.78 1sb3 s LYS 71 Ca 0.00 -1.62 -0.11 0.00 0.02 0.00 0.00 55.97 54.26 1sb3 s LYS 71 Cb 0.00 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1sb3 s LYS 71 CO 0.00 -0.45 0.20 0.21 -0.92 0.00 0.00 175.35 174.39 1sb3 s LYS 72 N -4.32 3.23 -0.11 1.68 2.20 -1.26 -1.53 119.74 119.63 1sb3 s LYS 72 Ca 0.49 -0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 55.28 1sb3 s LYS 72 Cb -0.05 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1sb3 s LYS 72 CO 0.30 -0.52 -0.06 0.08 -0.36 0.00 0.00 175.35 174.79 1sb3 s VAL 73 N 1.63 3.74 -0.02 4.02 1.01 0.14 -0.41 120.40 130.50 1sb3 s VAL 73 Ca 0.04 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1sb3 s VAL 73 Cb -0.18 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1sb3 s VAL 73 CO 0.08 0.55 -0.06 -1.61 0.00 0.00 0.00 175.10 174.06 1sb3 s GLU 74 N -0.24 0.71 0.44 2.72 2.02 -0.13 0.10 118.70 124.33 1sb3 s GLU 74 Ca 0.03 -0.19 0.06 0.00 0.02 0.00 0.00 54.97 54.89 1sb3 s GLU 74 Cb -0.13 -0.70 -0.05 0.00 0.10 0.00 0.00 34.13 33.36 1sb3 s GLU 74 CO 0.03 0.05 0.08 0.95 0.02 0.00 0.00 175.26 176.39 1sb3 s THR 75 N 0.31 1.86 0.55 3.63 -4.23 -1.26 -0.86 115.64 115.64 1sb3 s THR 75 Ca -0.04 -1.88 0.26 0.00 -1.18 0.00 0.00 61.69 58.85 1sb3 s THR 75 Cb -0.08 -2.74 0.38 0.00 1.34 0.00 0.00 72.50 71.39 1sb3 s THR 75 CO 0.00 0.00 2.02 1.62 -0.54 0.00 0.00 174.62 177.72 1sb3 h VAL 76 N 1.51 0.64 0.00 2.29 3.04 -1.90 -0.61 116.25 121.21 1sb3 h VAL 76 Ca -0.43 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 1sb3 h VAL 76 Cb 1.27 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1sb3 h VAL 76 CO 0.75 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.98 1sb3 h GLU 77 N 0.00 0.00 0.00 4.17 3.07 -1.97 -2.81 114.58 117.04 1sb3 h GLU 77 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1sb3 h GLU 77 Cb 0.85 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 1sb3 h GLU 77 CO -0.00 0.00 -0.69 -1.13 -1.40 0.00 0.00 179.01 175.79 1sb3 n SER 78 N -2.88 0.65 -0.05 1.42 3.41 -0.24 -4.48 113.62 111.45 1sb3 n SER 78 Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.53 1sb3 n SER 78 Cb 0.15 0.30 0.10 0.00 -0.26 0.00 0.00 64.21 64.51 1sb3 n SER 78 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1sb3 h LEU 79 N 0.00 0.70-10.39 1.04 3.38 -1.63 -3.45 115.31 104.97 1sb3 h LEU 79 Ca 0.00 -0.27 -0.50 0.00 0.09 0.00 0.00 57.88 57.20 1sb3 h LEU 79 Cb 0.71 -0.19 0.10 0.00 0.09 0.00 0.00 40.66 41.36 1sb3 h LEU 79 CO 0.00 0.95 0.35 0.00 0.09 0.00 0.00 178.44 179.84 1sb3 s ALA 80 N -4.47 2.47 -0.40 1.53 0.00 -1.26 -4.32 121.76 115.31 1sb3 s ALA 80 Ca -0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 1sb3 s ALA 80 Cb 0.13 -3.13 0.08 0.00 0.00 0.00 0.00 23.12 20.20 1sb3 s ALA 80 CO 0.83 -1.48 0.21 0.99 0.00 0.00 0.00 175.76 176.31 1sb3 s THR 81 N -3.13 3.83 0.00 0.00 2.01 -0.23 -4.94 115.64 113.19 1sb3 s THR 81 Ca 0.59 -1.57 0.00 0.00 0.31 0.00 0.00 61.69 61.02 1sb3 s THR 81 Cb -0.14 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1sb3 s THR 81 CO 0.54 -0.51 0.00 0.00 -0.69 0.00 0.00 174.62 173.97 1sb3 n GLN 82 N 4.80 0.00 -0.04 4.92 1.13 -1.26 -0.95 117.38 125.98 1sb3 n GLN 82 Ca -0.08 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.10 1sb3 n GLN 82 Cb 0.42 0.00 0.49 0.00 0.11 0.00 0.00 30.24 31.27 1sb3 n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sb3 n GLY 83 N 0.00 -0.03 3.68 1.08 0.00 -1.26 -4.87 105.19 103.79 1sb3 n GLY 83 Ca 0.00 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1sb3 n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sb3 s THR 84 N -1.91 4.98 0.56 2.61 2.01 -0.13 -5.04 115.64 118.73 1sb3 s THR 84 Ca 0.35 1.38 -0.20 0.00 0.31 0.00 0.00 61.69 63.54 1sb3 s THR 84 Cb 0.19 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1sb3 s THR 84 CO 0.30 0.11 1.23 -0.76 -0.69 0.00 0.00 174.62 174.81 1sb3 s LEU 85 N 1.75 3.77 0.81 4.42 1.43 -1.26 -1.06 118.68 128.53 1sb3 s LEU 85 Ca 0.34 2.46 -0.12 0.00 -1.03 0.00 0.00 54.13 55.78 1sb3 s LEU 85 Cb -0.16 -4.46 0.08 0.00 0.03 0.00 0.00 46.19 41.67 1sb3 s LEU 85 CO 0.12 -1.47 1.13 -0.94 0.23 0.00 0.00 176.35 175.43 1sb3 s SER 86 N -1.41 4.47 0.29 2.29 1.04 -1.26 -4.80 113.70 114.32 1sb3 s SER 86 Ca 0.74 1.01 -0.01 0.00 0.48 0.00 0.00 55.95 58.17 1sb3 s SER 86 Cb -0.32 -1.65 0.44 0.00 0.10 0.00 0.00 66.02 64.59 1sb3 s SER 86 CO 0.36 -1.95 1.90 0.11 0.98 0.00 0.00 173.24 174.65 1sb3 h LYS 87 N -1.08 0.94 -0.50 4.02 1.57 -1.95 -0.19 116.57 119.37 1sb3 h LYS 87 Ca -0.47 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.13 1sb3 h LYS 87 Cb 1.30 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1sb3 h LYS 87 CO 0.63 0.72 0.08 1.25 -0.57 0.00 0.00 179.45 181.56 1sb3 h LEU 88 N 0.94 0.79 -0.37 2.94 5.85 -1.92 -1.60 115.31 121.93 1sb3 h LEU 88 Ca 0.23 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1sb3 h LEU 88 Cb 0.08 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1sb3 h LEU 88 CO -0.03 0.85 -0.09 1.56 -0.34 0.00 0.00 178.44 180.39 1sb3 h GLN 89 N 0.70 0.71 -0.74 1.25 4.20 -1.80 -2.23 115.11 117.21 1sb3 h GLN 89 Ca 0.15 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.61 1sb3 h GLN 89 Cb 0.39 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1sb3 h GLN 89 CO 0.01 0.86 0.49 0.00 -0.67 0.00 0.00 178.83 179.52 1sb3 h ALA 90 N 0.83 1.52 -0.02 3.87 0.00 -0.95 -1.93 119.26 122.58 1sb3 h ALA 90 Ca 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sb3 h ALA 90 Cb 0.60 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sb3 h ALA 90 CO 0.04 0.42 -0.00 0.00 0.00 0.00 0.00 179.25 179.71 1sb3 h ALA 91 N 1.56 0.03 -0.68 0.00 0.00 -1.05 0.21 119.26 119.32 1sb3 h ALA 91 Ca 0.28 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1sb3 h ALA 91 Cb -0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1sb3 h ALA 91 CO -0.07 -0.30 0.36 0.74 0.00 0.00 0.00 179.25 179.98 1sb3 h PHE 92 N -0.28 0.65 0.45 0.00 -1.00 -1.13 0.21 116.94 115.83 1sb3 h PHE 92 Ca 0.01 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1sb3 h PHE 92 Cb 0.34 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.71 1sb3 h PHE 92 CO 0.04 0.27 -0.22 1.25 -1.61 0.00 0.00 178.31 178.05 1sb3 h HIS 93 N 0.64 -0.56 -0.29 -0.55 2.76 -1.19 0.27 115.15 116.22 1sb3 h HIS 93 Ca 0.32 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.38 1sb3 h HIS 93 Cb 0.27 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 1sb3 h HIS 93 CO -0.09 -0.28 -0.22 0.93 -1.30 0.00 0.00 177.93 176.96 1sb3 h GLU 94 N -0.73 0.55 -0.01 5.26 5.08 -0.30 -2.94 114.58 121.50 1sb3 h GLU 94 Ca -0.06 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1sb3 h GLU 94 Cb 0.53 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1sb3 h GLU 94 CO 0.10 0.74 -0.13 1.63 -1.00 0.00 0.00 179.01 180.35 1sb3 n LYS 95 N -4.13 1.33 -3.13 2.33 4.76 0.72 -4.95 118.16 115.09 1sb3 n LYS 95 Ca -0.00 -0.81 -0.14 0.00 -2.87 0.00 0.00 58.31 54.49 1sb3 n LYS 95 Cb 0.40 -1.48 0.07 0.00 -1.84 0.00 0.00 35.03 32.17 1sb3 n LYS 95 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1sb3 n LEU 96 N -0.13 -3.46 -0.37 -0.35 7.94 -0.61 -4.85 117.00 115.17 1sb3 n LEU 96 Ca 0.16 -0.46 0.06 0.00 -1.11 0.00 0.00 56.01 54.66 1sb3 n LEU 96 Cb 0.37 -2.48 0.24 0.00 0.53 0.00 0.00 43.42 42.08 1sb3 n LEU 96 CO 0.21 0.33 0.67 0.61 -1.11 0.00 0.00 177.39 178.10 1sb3 n GLY 97 N -1.20 -0.09 2.78 -3.96 0.00 0.86 -4.67 105.19 98.92 1sb3 n GLY 97 Ca -0.18 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 1sb3 n GLY 97 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sb3 s THR 98 N -1.78 0.06 0.00 2.61 -1.32 -1.24 -4.66 115.64 109.32 1sb3 s THR 98 Ca 0.21 0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 1sb3 s THR 98 Cb 0.11 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.91 1sb3 s THR 98 CO 0.16 0.13 0.00 0.00 -2.21 0.00 0.00 174.62 172.70 1sb3 n GLN 99 N 4.29 0.00 0.20 7.08 6.02 -1.26 -4.80 117.38 128.90 1sb3 n GLN 99 Ca -0.25 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.78 1sb3 n GLN 99 Cb 0.50 0.00 0.40 0.00 1.02 0.00 0.00 30.24 32.16 1sb3 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sb3 n GLY 101 N -0.53 0.99 0.29 0.00 0.00 -1.26 -4.96 105.19 99.72 1sb3 n GLY 101 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1sb3 n GLY 101 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sb3 h PHE 102 N 0.00 1.17 -0.00 1.61 3.57 -2.01 -2.86 116.94 118.42 1sb3 h PHE 102 Ca 0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1sb3 h PHE 102 Cb 0.00 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.46 1sb3 h PHE 102 CO 0.00 1.09 -0.14 0.00 -2.23 0.00 0.00 178.31 177.03 1sb3 h THR 104 N 0.08 1.07 -0.48 0.00 2.02 -1.87 -0.15 112.91 113.58 1sb3 h THR 104 Ca 0.00 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 66.96 1sb3 h THR 104 Cb 0.46 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1sb3 h THR 104 CO 0.00 0.13 0.26 -0.65 0.37 0.00 0.00 175.52 175.63 1sb3 h PRO 105 N 0.72 0.51 -0.49 6.66 0.11 -1.76 0.28 132.00 138.02 1sb3 h PRO 105 Ca 0.24 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.21 1sb3 h PRO 105 Cb 0.02 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 1sb3 h PRO 105 CO -0.10 0.33 -0.12 0.78 -0.21 0.00 0.00 178.00 178.69 1sb3 h GLY 106 N 0.52 1.00 0.91 -0.55 0.00 -1.59 -0.79 103.07 102.58 1sb3 h GLY 106 Ca 0.20 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1sb3 h GLY 106 CO -0.12 0.73 0.06 1.98 0.00 0.00 0.00 176.54 179.19 1sb3 h MET 107 N 0.82 0.59 -0.45 4.80 -1.53 -0.59 -1.80 114.93 116.77 1sb3 h MET 107 Ca 0.13 -0.16 -0.11 0.00 -3.44 0.00 0.00 59.70 56.12 1sb3 h MET 107 Cb 0.65 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.62 1sb3 h MET 107 CO 0.05 0.65 -0.17 0.82 0.14 0.00 0.00 176.91 178.40 1sb3 h ILE 108 N 0.42 1.27 -0.57 1.77 2.04 -0.33 -1.01 117.51 121.10 1sb3 h ILE 108 Ca 0.11 -1.29 -0.10 0.00 1.00 0.00 0.00 64.86 64.57 1sb3 h ILE 108 Cb 0.35 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1sb3 h ILE 108 CO 0.01 0.44 -0.06 0.24 0.00 0.00 0.00 178.15 178.78 1sb3 h MET 109 N 0.76 1.03 -0.57 2.37 2.86 -0.94 0.88 114.93 121.33 1sb3 h MET 109 Ca 0.11 -0.35 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 1sb3 h MET 109 Cb 0.70 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1sb3 h MET 109 CO 0.05 1.04 0.09 0.00 1.06 0.00 0.00 176.91 179.16 1sb3 h ALA 110 N 0.99 1.08 -0.57 6.32 0.00 -1.21 -1.84 119.26 124.03 1sb3 h ALA 110 Ca 0.15 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1sb3 h ALA 110 Cb 0.62 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1sb3 h ALA 110 CO 0.04 0.60 -0.06 0.77 0.00 0.00 0.00 179.25 180.60 1sb3 h SER 111 N 0.87 1.05 -0.70 0.00 0.02 -0.66 -2.06 113.55 112.06 1sb3 h SER 111 Ca 0.18 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1sb3 h SER 111 Cb 0.39 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1sb3 h SER 111 CO 0.01 1.13 0.30 -0.08 -1.14 0.00 0.00 176.83 177.05 1sb3 h GLU 112 N 0.94 1.04 -0.62 3.45 4.57 -0.57 -0.08 114.58 123.31 1sb3 h GLU 112 Ca 0.15 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 1sb3 h GLU 112 Cb 0.63 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1sb3 h GLU 112 CO 0.04 0.84 0.05 0.00 -1.18 0.00 0.00 179.01 178.76 1sb3 h ALA 113 N 1.14 0.92 0.26 2.92 0.00 -1.18 -1.68 119.26 121.64 1sb3 h ALA 113 Ca 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1sb3 h ALA 113 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1sb3 h ALA 113 CO -0.02 0.66 -0.12 1.25 0.00 0.00 0.00 179.25 181.01 1sb3 h LEU 114 N 0.97 -0.29 -2.30 0.00 5.85 -0.96 -2.73 115.31 115.84 1sb3 h LEU 114 Ca 0.18 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1sb3 h LEU 114 Cb 0.49 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1sb3 h LEU 114 CO 0.02 -0.12 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.90 1sb3 h LEU 115 N -0.45 0.00 0.04 2.25 3.38 -0.85 0.35 115.31 120.03 1sb3 h LEU 115 Ca -0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 1sb3 h LEU 115 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1sb3 h LEU 115 CO 0.06 0.03 -1.09 0.03 0.09 0.00 0.00 178.44 177.56 1sb3 h ARG 116 N 0.00 0.11 0.04 1.13 3.08 -1.15 -3.25 114.38 114.34 1sb3 h ARG 116 Ca -0.00 -0.18 -0.30 0.00 0.07 0.00 0.00 59.98 59.56 1sb3 h ARG 116 Cb 0.21 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1sb3 h ARG 116 CO 0.00 1.08 -1.69 -0.22 -1.07 0.00 0.00 179.97 178.08 1sb3 h LYS 117 N 0.03 0.09 -2.66 0.04 3.64 -1.00 -3.43 116.57 113.29 1sb3 h LYS 117 Ca -0.06 -0.16 -0.59 0.00 -1.27 0.00 0.00 60.65 58.58 1sb3 h LYS 117 Cb 1.84 0.06 -0.39 0.00 -0.41 0.00 0.00 32.23 33.33 1sb3 h LYS 117 CO 0.16 0.77 -0.83 1.21 -2.27 0.00 0.00 179.45 178.49 1sb3 s ASN 118 N -6.47 3.02 0.57 4.20 3.84 0.11 -5.02 114.94 115.21 1sb3 s ASN 118 Ca -0.09 -2.35 0.27 0.00 0.21 0.00 0.00 52.86 50.91 1sb3 s ASN 118 Cb 0.08 -0.54 1.56 0.00 -0.55 0.00 0.00 41.25 41.79 1sb3 s ASN 118 CO 0.82 -0.29 2.07 -0.65 -2.79 0.00 0.00 177.10 176.26 1sb3 h PRO 119 N 6.85 0.00 -2.14 0.43 0.11 -1.77 -3.23 132.00 132.25 1sb3 h PRO 119 Ca 0.06 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.59 1sb3 h PRO 119 Cb 0.96 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.67 1sb3 h PRO 119 CO 0.32 0.00 -0.92 0.45 -0.21 0.00 0.00 178.00 177.64 1sb3 n SER 120 N -3.97 1.32 -4.78 -2.05 2.88 -1.26 -4.76 113.62 100.99 1sb3 n SER 120 Ca 0.03 -2.91 -0.36 0.00 -1.33 0.00 0.00 58.87 54.30 1sb3 n SER 120 Cb 0.39 -0.65 -0.01 0.00 -0.75 0.00 0.00 64.21 63.19 1sb3 n SER 120 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1sb3 s PRO 121 N -1.47 3.74 0.69 -1.46 0.04 -1.22 -5.04 135.00 130.28 1sb3 s PRO 121 Ca 0.36 1.66 -0.10 0.00 0.04 0.00 0.00 61.00 62.96 1sb3 s PRO 121 Cb 0.14 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1sb3 s PRO 121 CO -0.09 -0.54 1.06 -1.54 0.04 0.00 0.00 177.00 175.92 1sb3 s SER 122 N -1.53 5.36 0.24 6.66 1.04 -1.26 -4.85 113.70 119.35 1sb3 s SER 122 Ca 0.65 0.97 -0.06 0.00 0.48 0.00 0.00 55.95 57.99 1sb3 s SER 122 Cb -0.25 -1.77 0.35 0.00 0.10 0.00 0.00 66.02 64.45 1sb3 s SER 122 CO 0.31 -1.34 1.81 -0.09 0.98 0.00 0.00 173.24 174.90 1sb3 h ARG 123 N -0.58 0.74 -0.25 4.02 2.43 -2.00 -0.76 114.38 117.99 1sb3 h ARG 123 Ca -0.45 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.62 1sb3 h ARG 123 Cb 1.26 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1sb3 h ARG 123 CO 0.63 0.49 -0.10 -0.44 -1.51 0.00 0.00 179.97 179.05 1sb3 h ASP 124 N 0.77 0.38 0.43 -3.80 3.45 -1.99 -1.86 116.42 113.79 1sb3 h ASP 124 Ca 0.37 -0.08 -0.16 0.00 0.43 0.00 0.00 57.03 57.59 1sb3 h ASP 124 Cb 0.31 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 1sb3 h ASP 124 CO -0.23 0.51 -0.67 -0.33 -1.57 0.00 0.00 179.24 176.95 1sb3 h GLU 125 N 0.38 0.22 -0.20 3.56 5.08 -1.58 -0.78 114.58 121.25 1sb3 h GLU 125 Ca 0.08 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1sb3 h GLU 125 Cb 0.40 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1sb3 h GLU 125 CO 0.02 0.81 -0.05 0.82 -1.00 0.00 0.00 179.01 179.61 1sb3 h ILE 126 N 0.15 1.29 -0.64 3.13 2.04 -0.69 -1.78 117.51 121.00 1sb3 h ILE 126 Ca -0.02 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.83 1sb3 h ILE 126 Cb 1.21 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 1sb3 h ILE 126 CO 0.10 0.31 0.42 0.11 0.00 0.00 0.00 178.15 179.10 1sb3 h LYS 127 N 0.10 0.84 -0.92 2.37 1.57 -1.28 -1.88 116.57 117.37 1sb3 h LYS 127 Ca 0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sb3 h LYS 127 Cb 0.49 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1sb3 h LYS 127 CO 0.02 0.56 0.58 0.00 -0.57 0.00 0.00 179.45 180.04 1sb3 h ALA 128 N 1.24 1.30 0.00 3.86 0.00 -0.98 -1.29 119.26 123.39 1sb3 h ALA 128 Ca 0.24 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1sb3 h ALA 128 Cb -0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 1sb3 h ALA 128 CO -0.05 0.63 -0.56 0.00 0.00 0.00 0.00 179.25 179.27 1sb3 h ALA 129 N 1.39 0.95 -0.74 0.00 0.00 -0.62 -3.09 119.26 117.14 1sb3 h ALA 129 Ca 0.33 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sb3 h ALA 129 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1sb3 h ALA 129 CO -0.07 0.70 0.00 1.28 0.00 0.00 0.00 179.25 181.16 1sb3 n LEU 130 N -3.69 3.93 -0.23 0.00 4.77 -0.77 -4.60 117.00 116.42 1sb3 n LEU 130 Ca -0.01 -1.97 0.13 0.00 -0.03 0.00 0.00 56.01 54.14 1sb3 n LEU 130 Cb 0.60 -0.49 0.42 0.00 -2.33 0.00 0.00 43.42 41.62 1sb3 n LEU 130 CO 0.41 0.98 1.22 0.00 -1.33 0.00 0.00 177.39 178.66 1sb3 h ALA 131 N 4.34 1.93 -0.01 -1.18 0.00 -1.15 -1.56 119.26 121.63 1sb3 h ALA 131 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sb3 h ALA 131 Cb 0.99 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1sb3 h ALA 131 CO 0.00 -0.16 -0.17 0.41 0.00 0.00 0.00 179.25 179.33 1sb3 n GLY 132 N -1.47 -0.33 3.53 0.00 0.00 -1.26 -4.81 105.19 100.85 1sb3 n GLY 132 Ca 0.16 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1sb3 n GLY 132 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sb3 s ASN 133 N -2.32 6.26 0.04 1.61 0.01 -0.59 -3.33 114.94 116.63 1sb3 s ASN 133 Ca 0.29 -0.29 -0.20 0.00 -0.71 0.00 0.00 52.86 51.95 1sb3 s ASN 133 Cb 0.20 -2.25 -0.06 0.00 0.41 0.00 0.00 41.25 39.55 1sb3 s ASN 133 CO 0.45 -0.53 0.59 -0.76 -1.51 0.00 0.00 177.10 175.35 1sb3 s LEU 134 N 2.32 4.47 -0.01 0.60 1.43 -0.59 -5.01 118.68 121.89 1sb3 s LEU 134 Ca 0.16 1.23 0.04 0.00 -1.03 0.00 0.00 54.13 54.52 1sb3 s LEU 134 Cb -0.16 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 1sb3 s LEU 134 CO 0.14 0.18 -0.12 0.00 0.23 0.00 0.00 176.35 176.79 1sb3 n ARG 136 N 2.86 1.87 -0.04 0.00 3.00 -1.26 -4.73 116.66 118.36 1sb3 n ARG 136 Ca -0.15 -0.05 -0.21 0.00 -0.00 0.00 0.00 57.85 57.45 1sb3 n ARG 136 Cb 0.56 -1.18 -0.13 0.00 0.00 0.00 0.00 32.46 31.70 1sb3 n ARG 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sb3 h THR 138 N -0.14 0.85 0.00 0.00 1.35 -1.95 -3.47 112.91 109.55 1sb3 h THR 138 Ca -0.46 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 1sb3 h THR 138 Cb 1.89 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 70.66 1sb3 h THR 138 CO -0.01 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 1sb3 n GLY 139 N 1.30 0.40 4.60 5.82 0.00 -1.26 -3.99 105.19 112.07 1sb3 n GLY 139 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1sb3 n GLY 139 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sb3 n TYR 140 N -2.77 0.00 -0.14 1.61 4.01 -1.26 -4.82 117.16 113.79 1sb3 n TYR 140 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 1sb3 n TYR 140 Cb 0.10 -0.22 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 1sb3 n TYR 140 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1sb3 h VAL 141 N 0.00 0.17 0.00 -0.72 2.07 -1.99 -0.35 116.25 115.43 1sb3 h VAL 141 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sb3 h VAL 141 Cb 0.00 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1sb3 h VAL 141 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 1sb3 n LYS 142 N -5.42 0.08 -0.02 1.57 5.02 -1.26 -2.33 118.16 115.80 1sb3 n LYS 142 Ca 0.01 0.18 -0.16 0.00 -2.02 0.00 0.00 58.31 56.32 1sb3 n LYS 142 Cb 0.35 -1.61 -0.09 0.00 -0.02 0.00 0.00 35.03 33.65 1sb3 n LYS 142 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1sb3 h ILE 143 N 0.00 1.37 -0.44 -0.18 2.04 -1.35 -0.55 117.51 118.40 1sb3 h ILE 143 Ca 0.00 -1.89 -0.02 0.00 1.00 0.00 0.00 64.86 63.96 1sb3 h ILE 143 Cb 0.44 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1sb3 h ILE 143 CO 0.00 0.57 0.21 0.40 0.00 0.00 0.00 178.15 179.32 1sb3 h ILE 144 N 0.11 1.18 -0.82 -0.67 2.04 -1.18 -1.39 117.51 116.79 1sb3 h ILE 144 Ca -0.04 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.34 1sb3 h ILE 144 Cb 1.20 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 1sb3 h ILE 144 CO 0.11 0.20 0.52 0.50 0.00 0.00 0.00 178.15 179.48 1sb3 h LYS 145 N 0.57 0.96 -0.32 2.37 3.64 -1.39 -1.59 116.57 120.80 1sb3 h LYS 145 Ca 0.15 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1sb3 h LYS 145 Cb 0.12 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1sb3 h LYS 145 CO -0.02 0.64 0.11 0.77 -2.27 0.00 0.00 179.45 178.68 1sb3 h SER 146 N 0.99 0.13 -0.58 4.20 0.02 -0.41 0.64 113.55 118.54 1sb3 h SER 146 Ca 0.34 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1sb3 h SER 146 Cb 0.07 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1sb3 h SER 146 CO -0.13 0.11 0.12 0.58 -1.14 0.00 0.00 176.83 176.37 1sb3 h VAL 147 N 0.25 1.25 -0.72 2.27 2.07 -0.92 -0.33 116.25 120.12 1sb3 h VAL 147 Ca 0.14 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1sb3 h VAL 147 Cb 0.11 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1sb3 h VAL 147 CO -0.15 0.34 0.27 -0.33 0.02 0.00 0.00 177.57 177.73 1sb3 h GLU 148 N 0.84 1.10 -0.33 1.57 5.08 -0.84 0.11 114.58 122.11 1sb3 h GLU 148 Ca 0.18 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1sb3 h GLU 148 Cb 0.38 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1sb3 h GLU 148 CO 0.01 0.91 0.11 1.15 -1.00 0.00 0.00 179.01 180.19 1sb3 h THR 149 N 1.05 1.20 -0.69 1.13 2.02 -0.64 -2.06 112.91 114.92 1sb3 h THR 149 Ca 0.24 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 1sb3 h THR 149 Cb 0.24 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1sb3 h THR 149 CO -0.02 0.22 0.31 0.00 0.37 0.00 0.00 175.52 176.41 1sb3 h ALA 150 N 0.95 0.89 -0.04 6.16 0.00 -0.69 -0.35 119.26 126.17 1sb3 h ALA 150 Ca 0.11 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sb3 h ALA 150 Cb 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1sb3 h ALA 150 CO -0.00 0.47 -0.07 0.00 0.00 0.00 0.00 179.25 179.64 1sb3 h ALA 151 N 1.15 -0.04 -0.68 0.00 0.00 -0.84 0.43 119.26 119.28 1sb3 h ALA 151 Ca 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1sb3 h ALA 151 Cb 0.15 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1sb3 h ALA 151 CO -0.03 -0.55 0.38 0.00 0.00 0.00 0.00 179.25 179.05 1sb3 h ALA 152 N 0.92 0.88 -0.08 0.00 0.00 -1.14 -1.91 119.26 117.93 1sb3 h ALA 152 Ca 0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1sb3 h ALA 152 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1sb3 h ALA 152 CO -0.11 0.38 -0.26 0.00 0.00 0.00 0.00 179.25 179.26 1sb3 h ALA 153 N 1.19 1.41 0.00 0.00 0.00 -0.67 -2.03 119.26 119.17 1sb3 h ALA 153 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sb3 h ALA 153 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1sb3 h ALA 153 CO -0.04 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1sb3 h ARG 154 N 0.13 0.00 0.18 0.00 3.08 -0.47 -3.15 114.38 114.15 1sb3 h ARG 154 Ca 0.02 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.81 1sb3 h ARG 154 Cb 0.54 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.62 1sb3 h ARG 154 CO 0.04 0.00 -1.16 -0.07 -1.07 0.00 0.00 179.97 177.71 1sb3 h LEU 155 N 0.00 0.61 -5.52 3.04 -0.00 -0.64 -3.32 115.31 109.48 1sb3 h LEU 155 Ca 0.00 -0.93 -0.77 0.00 -0.00 0.00 0.00 57.88 56.18 1sb3 h LEU 155 Cb 0.83 -0.20 -0.28 0.00 -0.00 0.00 0.00 40.66 41.01 1sb3 h LEU 155 CO 0.00 1.55 0.89 0.00 -0.00 0.00 0.00 178.44 180.88