#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k12 s ILE 5 N 0.00 1.21 -0.14 0.61 1.01 -1.26 -5.13 121.20 117.50 3k12 s ILE 5 Ca 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 3k12 s ILE 5 Cb 0.00 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 3k12 s ILE 5 CO 0.00 0.37 -0.05 -1.61 0.00 0.00 0.00 174.94 173.65 3k12 s GLU 6 N 0.44 3.54 -0.16 2.79 2.02 -1.26 -5.10 118.70 120.97 3k12 s GLU 6 Ca -0.11 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 54.29 3k12 s GLU 6 Cb -0.14 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 3k12 s GLU 6 CO 0.03 0.29 0.02 1.03 0.02 0.00 0.00 175.26 176.66 3k12 s ARG 7 N 0.22 3.74 -0.19 1.61 1.81 -1.26 -5.08 118.95 119.79 3k12 s ARG 7 Ca -0.03 -0.41 -0.01 0.00 -1.72 0.00 0.00 55.73 53.56 3k12 s ARG 7 Cb -0.14 -3.06 0.00 0.00 -0.45 0.00 0.00 34.95 31.30 3k12 s ARG 7 CO 0.03 0.33 -0.12 -0.06 -0.68 0.00 0.00 175.30 174.80 3k12 s PHE 8 N 0.18 2.86 0.17 -0.53 0.40 -1.26 -5.12 117.98 114.67 3k12 s PHE 8 Ca 0.02 -1.21 0.06 0.00 -0.60 0.00 0.00 56.93 55.19 3k12 s PHE 8 Cb -0.13 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 3k12 s PHE 8 CO 0.01 -0.63 -0.12 -1.21 0.70 0.00 0.00 175.22 173.98 3k12 s GLU 9 N 1.29 1.15 -0.33 0.44 2.02 -1.26 -5.11 118.70 116.90 3k12 s GLU 9 Ca 0.04 -1.49 -0.13 0.00 0.02 0.00 0.00 54.97 53.41 3k12 s GLU 9 Cb -0.14 -0.81 -0.02 0.00 0.10 0.00 0.00 34.13 33.26 3k12 s GLU 9 CO -0.06 0.12 0.27 0.08 0.02 0.00 0.00 175.26 175.68 3k12 s VAL 10 N -3.14 5.26 -0.17 2.63 1.01 -1.26 -5.08 120.40 119.65 3k12 s VAL 10 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 3k12 s VAL 10 Cb 0.01 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3k12 s VAL 10 CO 0.03 -0.00 -0.12 -0.69 0.00 0.00 0.00 175.10 174.32 3k12 s VAL 11 N 1.79 2.93 -0.21 2.92 1.01 -1.26 -5.10 120.40 122.48 3k12 s VAL 11 Ca 0.08 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 3k12 s VAL 11 Cb -0.17 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.96 3k12 s VAL 11 CO 0.11 0.49 -0.12 -0.54 0.00 0.00 0.00 175.10 175.05 3k12 s LYS 12 N 0.92 3.05 -0.40 2.72 1.02 -1.26 -5.08 119.74 120.71 3k12 s LYS 12 Ca -0.03 -0.82 -0.10 0.00 0.02 0.00 0.00 55.97 55.05 3k12 s LYS 12 Cb -0.15 -2.81 0.06 0.00 -0.52 0.00 0.00 37.83 34.41 3k12 s LYS 12 CO -0.01 -0.26 0.23 0.50 -0.92 0.00 0.00 175.35 174.89 3k12 s ARG 13 N 1.35 2.68 -0.16 1.68 3.52 -1.26 -5.07 118.95 121.68 3k12 s ARG 13 Ca 0.04 -1.32 -0.07 0.00 -0.13 0.00 0.00 55.73 54.24 3k12 s ARG 13 Cb -0.14 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.46 3k12 s ARG 13 CO -0.08 -0.85 0.10 0.50 -0.81 0.00 0.00 175.30 174.16 3k12 s ARG 14 N 1.47 3.78 -0.72 5.12 3.52 -1.26 -5.04 118.95 125.82 3k12 s ARG 14 Ca 0.02 -0.25 -0.27 0.00 -0.13 0.00 0.00 55.73 55.10 3k12 s ARG 14 Cb -0.22 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 29.97 3k12 s ARG 14 CO 0.04 0.47 1.45 0.00 -0.81 0.00 0.00 175.30 176.45 3k12 s ALA 15 N -0.17 2.57 -0.57 6.12 0.00 -1.26 -5.15 121.76 123.30 3k12 s ALA 15 Ca 0.09 -1.21 0.25 0.00 0.00 0.00 0.00 51.96 51.09 3k12 s ALA 15 Cb -0.12 -4.29 0.63 0.00 0.00 0.00 0.00 23.12 19.35 3k12 s ALA 15 CO 0.01 -3.49 1.71 1.49 0.00 0.00 0.00 175.76 175.48 3k12 h GLU 16 N 11.39 0.00 -2.06 0.00 4.57 -1.96 -3.36 114.58 123.15 3k12 h GLU 16 Ca -0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3k12 h GLU 16 Cb 1.08 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 29.45 3k12 h GLU 16 CO 1.27 0.00 -0.01 0.00 -1.18 0.00 0.00 179.01 179.09 3k12 s ALA 18 N -3.17 -1.79 -0.15 2.92 0.00 -0.05 -0.96 121.76 118.55 3k12 s ALA 18 Ca 0.09 2.32 -0.05 0.00 0.00 0.00 0.00 51.96 54.32 3k12 s ALA 18 Cb 0.09 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 3k12 s ALA 18 CO 0.62 -0.37 0.00 -0.51 0.00 0.00 0.00 175.76 175.51 3k12 s LEU 19 N 1.55 3.51 -0.31 0.00 1.43 -1.26 -0.82 118.68 122.77 3k12 s LEU 19 Ca -0.09 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3k12 s LEU 19 Cb -0.05 -1.85 0.10 0.00 0.03 0.00 0.00 46.19 44.41 3k12 s LEU 19 CO -0.18 0.21 0.07 -2.28 0.23 0.00 0.00 176.35 174.40 3k12 s HIS 20 N 0.13 2.32 0.00 0.29 2.46 -0.32 -5.01 115.29 115.16 3k12 s HIS 20 Ca 0.01 -2.07 0.00 0.00 0.47 0.00 0.00 55.06 53.47 3k12 s HIS 20 Cb -0.13 -2.03 0.00 0.00 -0.13 0.00 0.00 32.58 30.29 3k12 s HIS 20 CO 0.02 -0.88 0.00 0.41 -2.47 0.00 0.00 174.74 171.81 3k12 n GLY 21 N 4.67 2.91 1.60 1.59 0.00 -1.26 -1.75 105.19 112.95 3k12 n GLY 21 Ca -0.01 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.39 3k12 n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k12 n ASN 22 N 7.95 5.21 -4.42 1.61 5.03 -1.26 -4.89 115.26 124.49 3k12 n ASN 22 Ca 0.00 -2.95 -0.32 0.00 0.87 0.00 0.00 54.58 52.17 3k12 n ASN 22 Cb 0.00 -0.64 -0.14 0.00 -1.02 0.00 0.00 39.78 37.98 3k12 n ASN 22 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3k12 s THR 23 N -2.78 2.81 -0.17 3.41 2.01 -0.72 -1.11 115.64 119.10 3k12 s THR 23 Ca 0.51 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 3k12 s THR 23 Cb 0.39 -2.09 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 3k12 s THR 23 CO 0.14 0.58 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.87 3k12 s VAL 24 N -0.53 3.20 -0.19 3.82 1.01 0.89 -1.18 120.40 127.42 3k12 s VAL 24 Ca 0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3k12 s VAL 24 Cb -0.11 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3k12 s VAL 24 CO 0.01 0.48 -0.05 -0.31 0.00 0.00 0.00 175.10 175.23 3k12 s TYR 25 N 0.89 2.96 -0.13 5.22 2.02 -0.00 -1.00 117.35 127.31 3k12 s TYR 25 Ca -0.02 -0.65 -0.02 0.00 -0.37 0.00 0.00 57.07 56.01 3k12 s TYR 25 Cb -0.15 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.36 3k12 s TYR 25 CO 0.00 -0.31 -0.05 0.42 -1.57 0.00 0.00 175.55 174.04 3k12 s ILE 26 N 0.94 3.85 1.02 2.71 1.01 -0.42 -0.87 121.20 129.45 3k12 s ILE 26 Ca -0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 3k12 s ILE 26 Cb -0.15 -2.65 0.21 0.00 0.01 0.00 0.00 42.46 39.88 3k12 s ILE 26 CO 0.01 0.53 1.09 -0.83 0.00 0.00 0.00 174.94 175.73 3k12 s GLY 27 N 0.01 1.62 0.13 6.18 0.00 -0.13 -3.75 107.32 111.38 3k12 s GLY 27 Ca 0.00 0.24 -0.35 0.00 0.00 0.00 0.00 44.72 44.61 3k12 s GLY 27 CO 0.03 0.79 1.51 0.61 0.00 0.00 0.00 173.10 176.04 3k12 n GLY 28 N 0.38 0.93 3.48 0.20 0.00 -1.26 -4.72 105.19 104.20 3k12 n GLY 28 Ca 0.08 0.67 -0.33 0.00 0.00 0.00 0.00 46.02 46.43 3k12 n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k12 s GLN 29 N 0.84 3.21 0.22 1.61 -1.52 -1.26 -5.03 119.66 117.72 3k12 s GLN 29 Ca 0.81 -0.60 0.02 0.00 -1.95 0.00 0.00 55.36 53.65 3k12 s GLN 29 Cb -0.77 -2.68 -0.05 0.00 -0.22 0.00 0.00 33.01 29.29 3k12 s GLN 29 CO 0.41 0.39 0.02 0.14 -0.25 0.00 0.00 175.29 176.01 3k12 s VAL 30 N -0.09 0.80 0.19 1.09 -7.23 -1.26 -4.31 120.40 109.59 3k12 s VAL 30 Ca -0.00 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.86 3k12 s VAL 30 Cb -0.13 -2.35 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 3k12 s VAL 30 CO 0.03 -0.29 1.36 0.00 -0.31 0.00 0.00 175.10 175.89 3k12 s ALA 31 N -3.58 3.57 0.33 1.32 0.00 -1.26 -4.75 121.76 117.39 3k12 s ALA 31 Ca 0.29 1.15 0.13 0.00 0.00 0.00 0.00 51.96 53.54 3k12 s ALA 31 Cb 0.06 -3.51 0.65 0.00 0.00 0.00 0.00 23.12 20.33 3k12 s ALA 31 CO 0.08 -0.60 1.77 0.22 0.00 0.00 0.00 175.76 177.24 3k12 h ASP 32 N 5.70 0.00 -4.06 0.00 3.58 -1.93 -3.30 116.42 116.41 3k12 h ASP 32 Ca -0.44 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.36 3k12 h ASP 32 Cb 1.21 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 41.86 3k12 h ASP 32 CO 0.80 0.42 -0.67 -0.62 -2.88 0.00 0.00 179.24 176.29 3k12 s ASP 33 N -6.84 4.43 -0.16 2.28 2.15 -1.26 -5.00 116.67 112.26 3k12 s ASP 33 Ca -0.02 -2.66 0.01 0.00 0.43 0.00 0.00 52.55 50.31 3k12 s ASP 33 Cb 0.14 -1.58 0.21 0.00 -0.30 0.00 0.00 42.92 41.39 3k12 s ASP 33 CO 0.73 -0.29 1.42 -0.81 -0.17 0.00 0.00 175.17 176.05 3k12 n PRO 34 N 3.58 1.44 0.18 4.34 -0.04 -1.25 -4.23 135.00 139.02 3k12 n PRO 34 Ca 0.05 -1.02 0.08 0.00 -0.04 0.00 0.00 63.50 62.57 3k12 n PRO 34 Cb 0.36 -1.40 0.10 0.00 -0.04 0.00 0.00 33.50 32.53 3k12 n PRO 34 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3k12 h SER 35 N 0.50 0.00 -3.70 3.54 0.02 -1.94 -3.43 113.55 108.53 3k12 h SER 35 Ca 0.21 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 3k12 h SER 35 Cb 1.51 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.07 3k12 h SER 35 CO 0.40 0.20 0.04 0.61 -1.14 0.00 0.00 176.83 176.94 3k12 n GLY 36 N 1.16 0.57 3.89 -3.77 0.00 -1.26 -5.10 105.19 100.68 3k12 n GLY 36 Ca 0.03 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 3k12 n GLY 36 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k12 s ASP 37 N -2.04 2.99 0.27 1.61 1.47 -1.26 -4.72 116.67 114.98 3k12 s ASP 37 Ca 0.17 0.37 -0.03 0.00 1.18 0.00 0.00 52.55 54.23 3k12 s ASP 37 Cb -0.01 -0.48 0.37 0.00 -0.34 0.00 0.00 42.92 42.46 3k12 s ASP 37 CO 0.11 -2.82 1.92 -0.29 0.68 0.00 0.00 175.17 174.77 3k12 h ILE 38 N -1.70 1.18 -0.55 2.11 6.09 -1.94 -1.12 117.51 121.58 3k12 h ILE 38 Ca -0.45 -0.42 0.02 0.00 -1.37 0.00 0.00 64.86 62.64 3k12 h ILE 38 Cb 1.25 -0.15 -0.03 0.00 0.47 0.00 0.00 36.82 38.35 3k12 h ILE 38 CO 0.40 0.22 0.34 1.56 -3.07 0.00 0.00 178.15 177.61 3k12 h GLN 39 N 1.23 0.67 -0.36 2.19 7.50 -1.93 0.06 115.11 124.46 3k12 h GLN 39 Ca 0.38 -0.04 -0.08 0.00 0.50 0.00 0.00 58.65 59.40 3k12 h GLN 39 Cb -0.02 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.35 3k12 h GLN 39 CO -0.11 0.44 -0.10 0.22 -1.50 0.00 0.00 178.83 177.79 3k12 h ASP 40 N 0.69 0.71 -0.64 1.46 3.58 -1.75 -1.00 116.42 119.46 3k12 h ASP 40 Ca 0.22 -0.37 -0.06 0.00 0.42 0.00 0.00 57.03 57.23 3k12 h ASP 40 Cb -0.01 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 3k12 h ASP 40 CO -0.08 0.91 0.15 1.56 -2.88 0.00 0.00 179.24 178.90 3k12 h GLN 41 N 0.49 1.03 -0.25 0.28 4.20 -1.07 -0.89 115.11 118.90 3k12 h GLN 41 Ca 0.09 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3k12 h GLN 41 Cb 0.61 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3k12 h GLN 41 CO 0.04 0.93 0.13 1.15 -0.67 0.00 0.00 178.83 180.41 3k12 h THR 42 N 0.95 1.13 -0.53 -0.54 2.02 -0.88 -1.65 112.91 113.41 3k12 h THR 42 Ca 0.20 -0.34 0.04 0.00 0.77 0.00 0.00 66.41 67.08 3k12 h THR 42 Cb 0.37 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 3k12 h THR 42 CO 0.00 0.12 0.29 0.03 0.37 0.00 0.00 175.52 176.33 3k12 h ARG 43 N 0.28 0.54 -0.53 6.66 3.08 -0.98 -0.30 114.38 123.13 3k12 h ARG 43 Ca 0.09 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3k12 h ARG 43 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3k12 h ARG 43 CO -0.01 0.36 0.33 1.96 -1.07 0.00 0.00 179.97 181.53 3k12 h GLN 44 N 0.56 0.63 -0.29 0.04 4.20 -0.87 0.26 115.11 119.63 3k12 h GLN 44 Ca 0.23 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 3k12 h GLN 44 Cb 0.11 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3k12 h GLN 44 CO -0.14 0.42 -0.07 0.82 -0.67 0.00 0.00 178.83 179.18 3k12 h ILE 45 N 0.65 1.28 -0.36 2.54 2.04 -0.93 -1.10 117.51 121.64 3k12 h ILE 45 Ca 0.21 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.89 3k12 h ILE 45 Cb 0.00 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3k12 h ILE 45 CO -0.09 0.35 -0.09 -0.07 0.00 0.00 0.00 178.15 178.26 3k12 h LEU 46 N 0.33 0.59 -0.65 1.44 3.38 -0.85 -0.14 115.31 119.40 3k12 h LEU 46 Ca 0.07 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3k12 h LEU 46 Cb 0.55 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3k12 h LEU 46 CO 0.03 0.72 0.03 -0.33 0.09 0.00 0.00 178.44 178.98 3k12 h GLU 47 N 0.56 1.08 -0.59 1.13 5.08 -0.83 -0.97 114.58 120.05 3k12 h GLU 47 Ca 0.11 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 3k12 h GLU 47 Cb 0.49 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3k12 h GLU 47 CO 0.03 1.03 0.12 -0.91 -1.00 0.00 0.00 179.01 178.28 3k12 h ASN 48 N 0.99 0.88 -0.84 1.42 2.35 -0.61 -1.85 115.58 117.93 3k12 h ASN 48 Ca 0.18 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3k12 h ASN 48 Cb 0.53 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 3k12 h ASN 48 CO 0.03 0.88 0.49 0.40 -1.65 0.00 0.00 177.43 177.57 3k12 h ILE 49 N 0.89 1.24 -0.29 2.81 2.04 -0.73 0.24 117.51 123.71 3k12 h ILE 49 Ca 0.19 -0.56 0.06 0.00 1.00 0.00 0.00 64.86 65.54 3k12 h ILE 49 Cb 0.36 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 3k12 h ILE 49 CO 0.00 0.26 -0.07 0.44 0.00 0.00 0.00 178.15 178.79 3k12 h ASP 50 N 1.17 -0.27 -0.34 1.72 3.32 -0.59 0.48 116.42 121.91 3k12 h ASP 50 Ca 0.30 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.41 3k12 h ASP 50 Cb -0.01 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3k12 h ASP 50 CO -0.05 -0.09 0.10 -0.09 -1.72 0.00 0.00 179.24 177.38 3k12 h ARG 51 N 0.00 0.53 -0.41 3.56 2.43 -0.91 -0.62 114.38 118.95 3k12 h ARG 51 Ca 0.14 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3k12 h ARG 51 Cb 0.21 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3k12 h ARG 51 CO -0.30 0.57 0.26 -0.07 -1.51 0.00 0.00 179.97 178.92 3k12 h LEU 52 N 0.39 0.49 -0.50 3.80 3.38 -0.72 -1.86 115.31 120.30 3k12 h LEU 52 Ca 0.11 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3k12 h LEU 52 Cb 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3k12 h LEU 52 CO -0.00 0.39 0.08 -0.07 0.09 0.00 0.00 178.44 178.93 3k12 h LEU 53 N 0.55 0.79 -1.36 1.67 3.38 -0.76 -2.67 115.31 116.90 3k12 h LEU 53 Ca 0.15 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3k12 h LEU 53 Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3k12 h LEU 53 CO -0.03 0.85 -0.01 1.56 0.09 0.00 0.00 178.44 180.90 3k12 h GLN 54 N 0.70 0.41 0.00 1.13 4.20 -0.91 0.75 115.11 121.39 3k12 h GLN 54 Ca 0.15 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3k12 h GLN 54 Cb 0.39 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3k12 h GLN 54 CO 0.01 0.45 0.00 0.66 -0.67 0.00 0.00 178.83 179.28 3k12 h SER 55 N 0.40 0.00 -0.14 1.46 4.64 -0.98 -2.23 113.55 116.70 3k12 h SER 55 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3k12 h SER 55 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3k12 h SER 55 CO 0.01 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.30 3k12 n VAL 56 N -2.76 1.23 -1.92 0.95 0.24 -0.80 -4.99 118.33 110.28 3k12 n VAL 56 Ca -0.01 -1.24 -0.01 0.00 -2.04 0.00 0.00 64.34 61.04 3k12 n VAL 56 Cb 0.17 0.34 -0.00 0.00 -1.47 0.00 0.00 33.84 32.87 3k12 n VAL 56 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k12 n GLY 57 N -0.29 0.34 2.02 7.63 0.00 -0.84 -4.98 105.19 109.08 3k12 n GLY 57 Ca 0.08 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 3k12 n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3k12 n SER 58 N 1.81 2.34 -3.27 1.61 2.88 0.19 -4.38 113.62 114.80 3k12 n SER 58 Ca -0.01 -2.12 -0.07 0.00 -1.33 0.00 0.00 58.87 55.35 3k12 n SER 58 Cb 0.46 0.08 0.01 0.00 -0.75 0.00 0.00 64.21 64.02 3k12 n SER 58 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3k12 s ASP 59 N -2.64 -0.06 0.63 -3.46 1.47 -1.26 -3.53 116.67 107.83 3k12 s ASP 59 Ca 0.09 -0.88 0.34 0.00 1.18 0.00 0.00 52.55 53.28 3k12 s ASP 59 Cb -0.01 0.72 1.89 0.00 -0.34 0.00 0.00 42.92 45.18 3k12 s ASP 59 CO 0.06 -1.40 2.14 -0.09 0.68 0.00 0.00 175.17 176.55 3k12 h ARG 60 N 2.00 0.00 -0.01 2.11 2.43 -1.92 -0.85 114.38 118.13 3k12 h ARG 60 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3k12 h ARG 60 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3k12 h ARG 60 CO 0.35 0.00 -0.05 0.41 -1.51 0.00 0.00 179.97 179.17 3k12 n GLY 61 N -1.26 -0.32 0.77 2.80 0.00 -1.26 -4.14 105.19 101.79 3k12 n GLY 61 Ca -0.01 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.70 3k12 n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k12 n GLN 62 N -0.21 2.57 -2.99 1.61 1.13 -0.33 -4.93 117.38 114.24 3k12 n GLN 62 Ca 0.18 -2.83 -0.40 0.00 -1.94 0.00 0.00 57.00 52.02 3k12 n GLN 62 Cb 0.31 -1.79 -0.05 0.00 0.11 0.00 0.00 30.24 28.82 3k12 n GLN 62 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k12 s VAL 63 N -2.87 4.57 -0.28 5.09 1.01 -1.26 -0.56 120.40 126.10 3k12 s VAL 63 Ca 0.41 1.66 -0.14 0.00 0.00 0.00 0.00 61.98 63.90 3k12 s VAL 63 Cb 0.34 -4.12 -0.12 0.00 0.00 0.00 0.00 36.38 32.47 3k12 s VAL 63 CO 0.07 0.44 -0.33 0.18 0.00 0.00 0.00 175.10 175.46 3k12 n LEU 64 N 2.25 1.97 -3.85 3.92 4.77 0.16 -4.22 117.00 121.99 3k12 n LEU 64 Ca -0.04 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.16 3k12 n LEU 64 Cb 0.50 -0.83 -0.12 0.00 -2.33 0.00 0.00 43.42 40.64 3k12 n LEU 64 CO 0.47 0.57 -0.23 -0.94 -1.33 0.00 0.00 177.39 175.93 3k12 s SER 65 N -7.47 -0.07 -0.08 -1.43 1.04 -0.73 -1.53 113.70 103.44 3k12 s SER 65 Ca -0.38 0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 3k12 s SER 65 Cb 0.14 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.52 3k12 s SER 65 CO 0.50 -0.12 -0.04 -0.69 0.98 0.00 0.00 173.24 173.87 3k12 s VAL 66 N -0.32 0.66 -0.23 5.02 1.01 -0.13 -1.35 120.40 125.05 3k12 s VAL 66 Ca -0.04 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 3k12 s VAL 66 Cb -0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3k12 s VAL 66 CO 0.00 0.30 0.44 -0.60 0.00 0.00 0.00 175.10 175.24 3k12 s ARG 67 N 1.69 4.12 -0.21 2.72 6.06 -0.05 -1.88 118.95 131.41 3k12 s ARG 67 Ca 0.02 0.24 -0.03 0.00 -2.50 0.00 0.00 55.73 53.45 3k12 s ARG 67 Cb -0.13 -3.59 -0.01 0.00 0.06 0.00 0.00 34.95 31.28 3k12 s ARG 67 CO -0.05 -0.18 -0.06 0.42 -2.50 0.00 0.00 175.30 172.94 3k12 s ILE 68 N 1.74 3.30 -0.31 4.11 1.01 0.13 -0.79 121.20 130.38 3k12 s ILE 68 Ca 0.20 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 3k12 s ILE 68 Cb -0.15 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.85 3k12 s ILE 68 CO 0.09 0.44 0.09 -0.76 0.00 0.00 0.00 174.94 174.80 3k12 s LEU 69 N 1.37 4.02 -0.18 2.97 1.43 0.10 -1.96 118.68 126.44 3k12 s LEU 69 Ca 0.04 -0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 52.22 3k12 s LEU 69 Cb -0.14 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3k12 s LEU 69 CO -0.03 -0.24 0.05 -0.22 0.23 0.00 0.00 176.35 176.14 3k12 s LEU 70 N 1.47 3.77 0.13 1.79 2.96 -0.31 -1.12 118.68 127.38 3k12 s LEU 70 Ca 0.01 0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.94 3k12 s LEU 70 Cb -0.18 -1.95 -0.07 0.00 0.50 0.00 0.00 46.19 44.49 3k12 s LEU 70 CO 0.03 0.18 1.33 0.00 -1.32 0.00 0.00 176.35 176.57 3k12 h ALA 71 N 6.63 0.40 -3.51 5.97 0.00 -1.35 -0.57 119.26 126.83 3k12 h ALA 71 Ca -0.37 -0.67 -0.37 0.00 0.00 0.00 0.00 54.91 53.50 3k12 h ALA 71 Cb 1.17 -0.02 -0.33 0.00 0.00 0.00 0.00 17.79 18.60 3k12 h ALA 71 CO 0.70 0.77 -0.76 -1.01 0.00 0.00 0.00 179.25 178.95 3k12 s HIS 72 N -3.43 0.54 0.30 0.00 3.76 -1.26 -4.65 115.29 110.56 3k12 s HIS 72 Ca -0.07 -0.11 0.03 0.00 -0.15 0.00 0.00 55.06 54.77 3k12 s HIS 72 Cb 0.09 -0.53 0.63 0.00 1.11 0.00 0.00 32.58 33.88 3k12 s HIS 72 CO 0.87 -0.15 1.85 -0.09 -0.85 0.00 0.00 174.74 176.37 3k12 h ARG 73 N 7.11 0.89 0.00 1.40 2.43 -1.99 -0.67 114.38 123.56 3k12 h ARG 73 Ca -0.40 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3k12 h ARG 73 Cb 1.15 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3k12 h ARG 73 CO 0.48 0.59 0.00 0.93 -1.51 0.00 0.00 179.97 180.46 3k12 h GLU 74 N 0.92 0.00 -0.01 0.20 3.07 -2.01 -2.14 114.58 114.61 3k12 h GLU 74 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 3k12 h GLU 74 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3k12 h GLU 74 CO -0.24 0.00 -0.06 -0.25 -1.40 0.00 0.00 179.01 177.06 3k12 n ASP 75 N -2.63 1.17 -0.01 1.42 8.00 -0.26 -4.44 116.55 119.82 3k12 n ASP 75 Ca -0.01 -1.26 -0.11 0.00 0.71 0.00 0.00 54.79 54.13 3k12 n ASP 75 Cb 0.13 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 3k12 n ASP 75 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3k12 h TYR 76 N 1.75 0.14 -0.93 1.24 3.20 -1.50 -0.76 116.97 120.10 3k12 h TYR 76 Ca 0.00 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 3k12 h TYR 76 Cb 0.44 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 3k12 h TYR 76 CO 0.00 0.09 0.61 0.00 -1.64 0.00 0.00 178.16 177.22 3k12 h ALA 77 N 1.04 1.22 -0.49 1.82 0.00 -1.82 -1.81 119.26 119.23 3k12 h ALA 77 Ca 0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3k12 h ALA 77 Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3k12 h ALA 77 CO -0.01 0.50 -0.18 0.78 0.00 0.00 0.00 179.25 180.34 3k12 h GLY 78 N 1.20 1.06 0.34 0.00 0.00 -1.74 0.12 103.07 104.06 3k12 h GLY 78 Ca 0.36 -0.91 0.05 0.00 0.00 0.00 0.00 47.33 46.83 3k12 h GLY 78 CO -0.11 0.83 -0.19 -2.00 0.00 0.00 0.00 176.54 175.07 3k12 h LEU 79 N 0.85 -0.59 -0.85 3.11 5.85 -0.80 -2.91 115.31 119.97 3k12 h LEU 79 Ca 0.12 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.83 3k12 h LEU 79 Cb 0.75 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3k12 h LEU 79 CO 0.06 -0.23 -0.56 0.78 -0.34 0.00 0.00 178.44 178.14 3k12 h ASN 80 N -0.22 0.04 -0.56 1.25 2.35 -1.01 -1.38 115.58 116.05 3k12 h ASN 80 Ca 0.11 -0.02 0.10 0.00 -0.55 0.00 0.00 56.30 55.94 3k12 h ASN 80 Cb 0.38 -0.01 -0.08 0.00 0.05 0.00 0.00 38.32 38.66 3k12 h ASN 80 CO -0.30 0.60 0.10 -0.61 -1.65 0.00 0.00 177.43 175.56 3k12 h GLN 81 N 0.03 0.22 0.03 0.81 4.15 -0.57 0.17 115.11 119.95 3k12 h GLN 81 Ca -0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 3k12 h GLN 81 Cb 1.01 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.65 3k12 h GLN 81 CO 0.08 0.15 -0.01 0.28 -1.93 0.00 0.00 178.83 177.39 3k12 h VAL 82 N 0.23 1.42 -0.69 2.39 2.07 -1.43 -3.36 116.25 116.88 3k12 h VAL 82 Ca 0.29 -1.75 0.08 0.00 0.82 0.00 0.00 66.70 66.14 3k12 h VAL 82 Cb 0.42 2.53 -0.07 0.00 -1.52 0.00 0.00 31.29 32.66 3k12 h VAL 82 CO -0.39 0.43 0.34 -0.25 0.02 0.00 0.00 177.57 177.72 3k12 h TRP 83 N -0.85 0.62 0.00 1.57 2.91 -1.09 -2.34 115.95 116.77 3k12 h TRP 83 Ca -0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.04 3k12 h TRP 83 Cb 0.72 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.20 3k12 h TRP 83 CO 0.18 0.24 0.00 -0.25 -1.03 0.00 0.00 178.44 177.58 3k12 n ASP 84 N -4.86 0.35 -0.61 2.65 8.00 0.57 -1.85 116.55 120.80 3k12 n ASP 84 Ca 0.10 0.59 0.06 0.00 0.71 0.00 0.00 54.79 56.25 3k12 n ASP 84 Cb 0.25 -0.66 0.16 0.00 -0.02 0.00 0.00 41.12 40.84 3k12 n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k12 n GLN 85 N -1.89 2.85 0.03 -1.24 1.13 -0.89 -4.74 117.38 112.62 3k12 n GLN 85 Ca 0.02 -2.20 -0.22 0.00 -1.94 0.00 0.00 57.00 52.67 3k12 n GLN 85 Cb 0.18 -1.38 -0.14 0.00 0.11 0.00 0.00 30.24 29.00 3k12 n GLN 85 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 3k12 h TRP 86 N 1.67 0.57 -3.36 1.08 2.91 -1.26 -3.48 115.95 114.09 3k12 h TRP 86 Ca 0.00 -0.42 -0.55 0.00 1.13 0.00 0.00 58.89 59.05 3k12 h TRP 86 Cb 0.89 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.48 3k12 h TRP 86 CO 0.26 1.72 -0.10 -0.06 -1.03 0.00 0.00 178.44 179.23 3k12 s PHE 87 N -2.56 3.53 0.64 2.65 0.08 -1.26 -5.05 117.98 116.02 3k12 s PHE 87 Ca -0.20 0.98 -0.18 0.00 0.12 0.00 0.00 56.93 57.65 3k12 s PHE 87 Cb 0.06 -2.32 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 3k12 s PHE 87 CO 0.80 0.37 1.19 -2.30 -0.10 0.00 0.00 175.22 175.18 3k12 n PRO 88 N 0.45 1.02 -1.65 0.24 -0.02 -1.26 -4.87 135.00 128.91 3k12 n PRO 88 Ca -0.03 0.40 -0.49 0.00 -2.02 0.00 0.00 63.50 61.35 3k12 n PRO 88 Cb 0.52 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 3k12 n PRO 88 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3k12 n GLU 89 N -1.69 1.70 -0.98 -0.52 2.13 -1.26 -1.25 120.64 118.76 3k12 n GLU 89 Ca 0.15 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.59 3k12 n GLU 89 Cb 0.48 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.85 3k12 n GLU 89 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k12 n GLY 90 N 3.28 0.65 0.06 8.31 0.00 -1.26 -4.89 105.19 111.34 3k12 n GLY 90 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 3k12 n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k12 n ARG 91 N -2.41 1.91 -1.82 1.61 1.74 -0.38 -5.04 116.66 112.26 3k12 n ARG 91 Ca 0.00 -1.82 -0.39 0.00 -0.77 0.00 0.00 57.85 54.87 3k12 n ARG 91 Cb 0.02 -1.13 0.03 0.00 -1.02 0.00 0.00 32.46 30.36 3k12 n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k12 s ALA 92 N -1.60 2.96 0.90 7.54 0.00 -1.26 -4.73 121.76 125.58 3k12 s ALA 92 Ca 0.13 1.35 -0.14 0.00 0.00 0.00 0.00 51.96 53.30 3k12 s ALA 92 Cb 0.11 -3.56 0.14 0.00 0.00 0.00 0.00 23.12 19.81 3k12 s ALA 92 CO 0.01 -1.26 1.20 -1.25 0.00 0.00 0.00 175.76 174.46 3k12 s PRO 93 N -2.74 1.17 0.62 0.00 0.04 -1.26 -5.01 135.00 127.83 3k12 s PRO 93 Ca 0.68 0.02 -0.17 0.00 0.04 0.00 0.00 61.00 61.57 3k12 s PRO 93 Cb -0.41 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 3k12 s PRO 93 CO 0.49 -2.13 1.15 0.95 0.04 0.00 0.00 177.00 177.51 3k12 s THR 94 N -3.53 2.92 -0.05 1.26 -4.23 -0.58 -4.92 115.64 106.51 3k12 s THR 94 Ca 0.66 0.50 -0.07 0.00 -1.18 0.00 0.00 61.69 61.60 3k12 s THR 94 Cb -0.10 -3.10 0.02 0.00 1.34 0.00 0.00 72.50 70.65 3k12 s THR 94 CO 0.52 -0.19 0.19 -0.60 -0.54 0.00 0.00 174.62 173.99 3k12 s ARG 95 N -3.67 0.30 -0.11 3.99 3.52 -1.26 -0.95 118.95 120.77 3k12 s ARG 95 Ca 0.72 0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 56.39 3k12 s ARG 95 Cb -0.25 0.14 0.05 0.00 -1.56 0.00 0.00 34.95 33.33 3k12 s ARG 95 CO 0.36 -0.05 0.11 0.00 -0.81 0.00 0.00 175.30 174.91 3k12 s ALA 96 N -0.28 0.16 -0.12 6.12 0.00 -0.79 -4.98 121.76 121.88 3k12 s ALA 96 Ca -0.04 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.03 3k12 s ALA 96 Cb -0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 3k12 s ALA 96 CO 0.01 -0.83 -0.14 0.00 0.00 0.00 0.00 175.76 174.80 3k12 s SER 98 N 0.19 0.18 0.20 0.00 1.04 -0.83 -4.99 113.70 109.50 3k12 s SER 98 Ca -0.08 -1.28 -0.23 0.00 0.48 0.00 0.00 55.95 54.84 3k12 s SER 98 Cb -0.15 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 66.34 3k12 s SER 98 CO 0.05 -0.95 0.76 -0.76 0.98 0.00 0.00 173.24 173.32 3k12 s LEU 99 N -3.13 4.47 -0.01 2.42 1.43 -1.26 -1.16 118.68 121.44 3k12 s LEU 99 Ca 0.34 1.54 -0.17 0.00 -1.03 0.00 0.00 54.13 54.81 3k12 s LEU 99 Cb 0.04 -3.45 0.03 0.00 0.03 0.00 0.00 46.19 42.85 3k12 s LEU 99 CO 0.12 0.12 0.37 0.00 0.23 0.00 0.00 176.35 177.19 3k12 s ALA 100 N -1.34 -0.92 -0.23 4.21 0.00 -0.22 -4.83 121.76 118.43 3k12 s ALA 100 Ca 0.39 0.43 -0.23 0.00 0.00 0.00 0.00 51.96 52.55 3k12 s ALA 100 Cb -0.20 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 3k12 s ALA 100 CO 0.23 -0.30 0.77 -2.00 0.00 0.00 0.00 175.76 174.46 3k12 s GLU 101 N -1.49 4.18 0.36 0.00 2.12 -1.26 -4.04 118.70 118.56 3k12 s GLU 101 Ca -0.12 0.84 0.03 0.00 0.36 0.00 0.00 54.97 56.08 3k12 s GLU 101 Cb -0.04 -3.63 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 3k12 s GLU 101 CO 0.04 -0.46 0.53 -0.51 -0.54 0.00 0.00 175.26 174.33 3k12 s LEU 102 N 2.63 3.93 0.09 2.70 1.43 -1.26 -5.03 118.68 123.17 3k12 s LEU 102 Ca 0.33 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.34 3k12 s LEU 102 Cb -0.15 -3.01 -0.11 0.00 0.03 0.00 0.00 46.19 42.95 3k12 s LEU 102 CO 0.08 -0.43 1.66 0.40 0.23 0.00 0.00 176.35 178.29 3k12 h ILE 103 N 0.75 1.12 -3.72 -0.59 1.08 -1.97 -3.39 117.51 110.79 3k12 h ILE 103 Ca -0.48 -0.33 -0.64 0.00 -0.39 0.00 0.00 64.86 63.02 3k12 h ILE 103 Cb 1.24 1.10 -0.16 0.00 -3.07 0.00 0.00 36.82 35.93 3k12 h ILE 103 CO 0.57 0.11 -0.28 -0.62 -0.69 0.00 0.00 178.15 177.24 3k12 s ASP 104 N -5.46 6.20 0.65 1.72 -1.08 -1.26 -4.96 116.67 112.48 3k12 s ASP 104 Ca -0.14 0.07 0.29 0.00 -0.52 0.00 0.00 52.55 52.26 3k12 s ASP 104 Cb 0.07 -2.20 1.56 0.00 -1.46 0.00 0.00 42.92 40.89 3k12 s ASP 104 CO 0.69 -0.23 1.90 -0.65 0.52 0.00 0.00 175.17 177.40 3k12 h PRO 105 N 8.30 0.00 0.00 4.34 0.11 -2.02 -1.44 132.00 141.29 3k12 h PRO 105 Ca -0.31 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 3k12 h PRO 105 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3k12 h PRO 105 CO 0.65 0.00 -0.39 0.00 -0.21 0.00 0.00 178.00 178.05 3k12 h ARG 106 N 0.00 0.00 -6.56 1.05 3.08 -1.93 -3.45 114.38 106.58 3k12 h ARG 106 Ca 0.05 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.58 3k12 h ARG 106 Cb 0.82 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.89 3k12 h ARG 106 CO -0.00 0.39 0.65 -1.58 -1.07 0.00 0.00 179.97 178.36 3k12 s TRP 107 N -3.49 3.32 -0.35 3.04 0.51 -0.55 -4.79 118.94 116.63 3k12 s TRP 107 Ca 0.01 1.14 0.23 0.00 -2.12 0.00 0.00 56.10 55.35 3k12 s TRP 107 Cb 0.10 -3.57 -0.07 0.00 -0.81 0.00 0.00 33.47 29.12 3k12 s TRP 107 CO 0.69 -1.88 0.89 0.54 -0.51 0.00 0.00 176.95 176.68 3k12 n ARG 108 N 3.62 0.48 -3.54 4.98 1.74 -1.26 -4.72 116.66 117.96 3k12 n ARG 108 Ca 0.09 -0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 57.00 3k12 n ARG 108 Cb 0.44 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.18 3k12 n ARG 108 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3k12 s VAL 109 N -3.33 0.00 0.06 1.55 0.11 -1.26 -1.35 120.40 116.18 3k12 s VAL 109 Ca -0.01 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 3k12 s VAL 109 Cb 0.13 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.97 3k12 s VAL 109 CO 0.83 0.00 0.04 1.21 -3.33 0.00 0.00 175.10 173.85 3k12 n GLU 110 N 0.82 0.36 -3.46 1.54 2.13 -0.28 -4.56 120.64 117.19 3k12 n GLU 110 Ca -0.16 -0.56 0.01 0.00 0.66 0.00 0.00 57.16 57.11 3k12 n GLU 110 Cb 0.57 0.40 -0.05 0.00 0.27 0.00 0.00 31.44 32.64 3k12 n GLU 110 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3k12 s ILE 112 N -2.06 -0.41 -0.05 6.31 1.01 0.03 -0.72 121.20 125.30 3k12 s ILE 112 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.76 3k12 s ILE 112 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 3k12 s ILE 112 CO 0.04 0.00 -0.22 -0.69 0.00 0.00 0.00 174.94 174.06 3k12 s VAL 113 N 2.22 2.33 -0.08 2.92 1.01 -1.25 -0.87 120.40 126.68 3k12 s VAL 113 Ca -0.04 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.00 3k12 s VAL 113 Cb -0.06 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 3k12 s VAL 113 CO -0.17 0.57 -0.24 -0.69 0.00 0.00 0.00 175.10 174.57 3k12 s VAL 114 N -0.38 2.07 0.21 2.92 1.01 -0.46 -1.30 120.40 124.47 3k12 s VAL 114 Ca 0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 3k12 s VAL 114 Cb -0.12 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3k12 s VAL 114 CO 0.02 0.56 0.13 0.00 0.00 0.00 0.00 175.10 175.81 3k12 s ALA 115 N 0.13 1.25 0.25 5.51 0.00 -0.17 -0.67 121.76 128.06 3k12 s ALA 115 Ca -0.12 -1.73 0.07 0.00 0.00 0.00 0.00 51.96 50.18 3k12 s ALA 115 Cb -0.16 1.35 -0.04 0.00 0.00 0.00 0.00 23.12 24.27 3k12 s ALA 115 CO 0.07 -0.57 0.16 0.00 0.00 0.00 0.00 175.76 175.41 3k12 s ALA 116 N -4.10 3.51 -0.22 0.00 0.00 0.27 -0.08 121.76 121.14 3k12 s ALA 116 Ca 0.39 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 3k12 s ALA 116 Cb 0.07 -1.22 0.07 0.00 0.00 0.00 0.00 23.12 22.04 3k12 s ALA 116 CO 0.12 0.27 0.06 -0.98 0.00 0.00 0.00 175.76 175.24 3k12 s ARG 117 N -3.77 0.56 0.00 0.00 1.70 -0.26 -4.67 118.95 112.51 3k12 s ARG 117 Ca 0.32 -0.52 0.09 0.00 -0.47 0.00 0.00 55.73 55.15 3k12 s ARG 117 Cb -0.08 -1.96 0.07 0.00 -0.57 0.00 0.00 34.95 32.42 3k12 s ARG 117 CO 0.24 -0.75 0.79 -0.85 -1.08 0.00 0.00 175.30 173.65