#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 2.41 -0.17 1.59 1.01 -1.26 -4.79 121.20 119.99 3k12 s ILE 5 Ca 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.90 3k12 s ILE 5 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 3k12 s ILE 5 CO 0.00 0.03 0.03 -1.61 0.00 0.00 0.00 174.94 173.39 3k12 s GLU 6 N 0.79 3.84 0.11 2.79 2.02 -0.57 -4.95 118.70 122.74 3k12 s GLU 6 Ca 0.69 -0.40 0.08 0.00 0.02 0.00 0.00 54.97 55.37 3k12 s GLU 6 Cb -0.45 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 3k12 s GLU 6 CO 0.35 0.29 -0.16 1.03 0.02 0.00 0.00 175.26 176.78 3k12 s ARG 7 N 0.30 1.88 -0.00 1.61 0.52 -1.26 0.00 118.95 122.00 3k12 s ARG 7 Ca 0.01 -1.14 0.03 0.00 -0.52 0.00 0.00 55.73 54.11 3k12 s ARG 7 Cb -0.13 -2.17 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 3k12 s ARG 7 CO 0.01 0.49 -0.10 -0.06 0.02 0.00 0.00 175.30 175.66 3k12 s PHE 8 N -1.17 0.85 -0.96 -0.53 0.40 -1.26 -4.88 117.98 110.44 3k12 s PHE 8 Ca 0.19 -0.18 -0.10 0.00 -0.60 0.00 0.00 56.93 56.24 3k12 s PHE 8 Cb -0.11 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 3k12 s PHE 8 CO 0.11 -0.01 0.73 0.39 0.70 0.00 0.00 175.22 177.14 3k12 n GLU 9 N 2.76 -1.36 -4.19 0.44 1.02 -1.26 -1.90 120.64 116.15 3k12 n GLU 9 Ca -0.14 0.81 -0.34 0.00 -0.02 0.00 0.00 57.16 57.47 3k12 n GLU 9 Cb 0.57 -4.18 -0.10 0.00 -0.02 0.00 0.00 31.44 27.70 3k12 n GLU 9 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3k12 s VAL 10 N -3.23 4.44 0.36 2.62 1.01 -1.26 -1.70 120.40 122.64 3k12 s VAL 10 Ca 0.24 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3k12 s VAL 10 Cb -0.08 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3k12 s VAL 10 CO 0.84 0.50 0.13 0.68 0.00 0.00 0.00 175.10 177.24 3k12 s VAL 11 N 0.11 0.62 0.33 2.92 -7.23 -0.14 -4.99 120.40 112.02 3k12 s VAL 11 Ca 0.03 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.28 3k12 s VAL 11 Cb -0.13 -2.49 0.32 0.00 0.56 0.00 0.00 36.38 34.64 3k12 s VAL 11 CO 0.01 0.00 1.83 0.11 -0.31 0.00 0.00 175.10 176.74 3k12 h LYS 12 N 2.00 0.71 0.01 4.82 1.57 -2.05 -2.55 116.57 121.08 3k12 h LYS 12 Ca -0.36 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.17 3k12 h LYS 12 Cb 1.26 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3k12 h LYS 12 CO 0.58 0.47 -0.91 -0.09 -0.57 0.00 0.00 179.45 178.92 3k12 h ARG 13 N 0.73 0.26 -1.89 3.15 2.43 -2.01 -3.48 114.38 113.57 3k12 h ARG 13 Ca 0.51 -0.29 0.13 0.00 -0.81 0.00 0.00 59.98 59.52 3k12 h ARG 13 Cb 0.81 0.09 -0.18 0.00 -0.42 0.00 0.00 29.97 30.26 3k12 h ARG 13 CO -0.27 1.01 0.58 -0.98 -1.51 0.00 0.00 179.97 178.79 3k12 s ARG 14 N -3.20 0.64 -0.02 0.20 1.70 -0.96 -5.12 118.95 112.20 3k12 s ARG 14 Ca -0.04 -0.13 -0.16 0.00 -0.47 0.00 0.00 55.73 54.93 3k12 s ARG 14 Cb 0.10 0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 34.72 3k12 s ARG 14 CO 0.84 -0.26 0.45 0.00 -1.08 0.00 0.00 175.30 175.26 3k12 s ALA 15 N -2.35 3.62 -1.34 7.88 0.00 -1.26 -0.97 121.76 127.34 3k12 s ALA 15 Ca 0.04 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 51.88 3k12 s ALA 15 Cb -0.01 -2.49 0.22 0.00 0.00 0.00 0.00 23.12 20.84 3k12 s ALA 15 CO -0.05 0.35 1.01 0.39 0.00 0.00 0.00 175.76 177.46 3k12 n GLU 16 N 2.26 0.05 -3.64 0.00 -0.58 -0.69 -4.58 120.64 113.47 3k12 n GLU 16 Ca -0.12 0.28 -0.04 0.00 -0.42 0.00 0.00 57.16 56.86 3k12 n GLU 16 Cb 0.52 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.82 3k12 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3k12 s ALA 18 N -2.66 -2.19 -0.18 0.62 0.00 0.00 -1.82 121.76 115.53 3k12 s ALA 18 Ca 0.04 2.08 -0.04 0.00 0.00 0.00 0.00 51.96 54.04 3k12 s ALA 18 Cb 0.03 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 3k12 s ALA 18 CO 0.07 -0.30 -0.04 -1.17 0.00 0.00 0.00 175.76 174.32 3k12 s LEU 19 N 0.94 3.06 -0.27 0.00 2.96 0.10 -0.53 118.68 124.93 3k12 s LEU 19 Ca -0.05 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3k12 s LEU 19 Cb -0.04 -1.75 0.08 0.00 0.50 0.00 0.00 46.19 44.97 3k12 s LEU 19 CO -0.12 0.08 -0.00 -2.28 -1.32 0.00 0.00 176.35 172.71 3k12 s HIS 20 N 0.88 2.51 0.00 5.38 5.65 0.09 -1.51 115.29 128.29 3k12 s HIS 20 Ca -0.01 -1.98 0.00 0.00 0.25 0.00 0.00 55.06 53.32 3k12 s HIS 20 Cb -0.15 -1.86 0.00 0.00 -1.18 0.00 0.00 32.58 29.39 3k12 s HIS 20 CO 0.01 -0.83 0.00 0.41 -0.65 0.00 0.00 174.74 173.69 3k12 n GLY 21 N 4.63 2.95 1.23 1.59 0.00 -1.26 -1.41 105.19 112.91 3k12 n GLY 21 Ca -0.07 0.30 0.04 0.00 0.00 0.00 0.00 46.02 46.29 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 8.52 4.05 -4.46 1.61 3.02 -1.26 -4.94 115.26 121.79 3k12 n ASN 22 Ca 0.00 -3.16 -0.33 0.00 -0.03 0.00 0.00 54.58 51.06 3k12 n ASN 22 Cb 0.00 -0.61 -0.13 0.00 -0.61 0.00 0.00 39.78 38.43 3k12 n ASN 22 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3k12 s THR 23 N -2.92 3.22 -0.16 3.41 2.01 -0.50 -1.45 115.64 119.25 3k12 s THR 23 Ca 0.46 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 3k12 s THR 23 Cb 0.38 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 3k12 s THR 23 CO 0.09 0.56 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.87 3k12 s VAL 24 N -0.31 3.92 -0.17 3.82 1.01 0.72 -0.73 120.40 128.66 3k12 s VAL 24 Ca 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3k12 s VAL 24 Cb -0.13 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 3k12 s VAL 24 CO 0.03 0.48 -0.11 -0.31 0.00 0.00 0.00 175.10 175.19 3k12 s TYR 25 N 0.46 2.86 -0.14 5.22 2.02 0.31 -0.56 117.35 127.51 3k12 s TYR 25 Ca -0.03 -0.90 0.01 0.00 -0.37 0.00 0.00 57.07 55.78 3k12 s TYR 25 Cb -0.14 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 3k12 s TYR 25 CO 0.03 -0.42 -0.18 0.42 -1.57 0.00 0.00 175.55 173.82 3k12 s ILE 26 N 0.89 2.41 0.06 2.71 1.01 -0.28 -0.81 121.20 127.19 3k12 s ILE 26 Ca -0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 3k12 s ILE 26 Cb -0.15 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.34 3k12 s ILE 26 CO -0.00 0.53 0.07 0.61 0.00 0.00 0.00 174.94 176.15 3k12 n GLY 27 N 4.00 -1.42 3.68 6.18 0.00 -0.76 -1.74 105.19 115.14 3k12 n GLY 27 Ca -0.19 -1.63 -0.51 0.00 0.00 0.00 0.00 46.02 43.69 3k12 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k12 n GLY 28 N 4.01 1.14 3.36 -0.02 0.00 -1.26 -4.60 105.19 107.82 3k12 n GLY 28 Ca 0.01 0.83 -0.33 0.00 0.00 0.00 0.00 46.02 46.53 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 3.07 3.40 0.26 1.61 -1.52 -1.26 -5.02 119.66 120.21 3k12 s GLN 29 Ca 0.91 -0.66 0.05 0.00 -1.95 0.00 0.00 55.36 53.71 3k12 s GLN 29 Cb -0.82 -2.75 -0.06 0.00 -0.22 0.00 0.00 33.01 29.16 3k12 s GLN 29 CO 0.53 0.10 -0.01 0.14 -0.25 0.00 0.00 175.29 175.80 3k12 s VAL 30 N 0.65 1.25 0.12 1.09 -7.23 -1.26 -4.27 120.40 110.76 3k12 s VAL 30 Ca -0.06 -2.06 -0.31 0.00 -1.81 0.00 0.00 61.98 57.75 3k12 s VAL 30 Cb -0.15 -2.43 -0.08 0.00 0.56 0.00 0.00 36.38 34.28 3k12 s VAL 30 CO 0.02 -0.28 1.36 0.00 -0.31 0.00 0.00 175.10 175.90 3k12 s ALA 31 N -3.27 3.56 0.31 1.32 0.00 -1.26 -4.77 121.76 117.65 3k12 s ALA 31 Ca 0.30 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3k12 s ALA 31 Cb 0.05 -3.52 0.52 0.00 0.00 0.00 0.00 23.12 20.18 3k12 s ALA 31 CO 0.11 -0.58 1.93 -0.44 0.00 0.00 0.00 175.76 176.77 3k12 h ASP 32 N 6.57 0.90 -4.12 0.00 3.32 -1.94 -3.33 116.42 117.82 3k12 h ASP 32 Ca -0.42 -0.00 -0.66 0.00 0.02 0.00 0.00 57.03 55.96 3k12 h ASP 32 Cb 1.21 -0.20 -0.39 0.00 0.22 0.00 0.00 39.33 40.17 3k12 h ASP 32 CO 0.84 0.60 -0.58 -0.62 -1.72 0.00 0.00 179.24 177.76 3k12 s ASP 33 N -6.11 4.68 -0.10 6.45 2.15 -1.26 -4.97 116.67 117.51 3k12 s ASP 33 Ca -0.11 -2.74 0.05 0.00 0.43 0.00 0.00 52.55 50.18 3k12 s ASP 33 Cb 0.19 -1.70 0.32 0.00 -0.30 0.00 0.00 42.92 41.43 3k12 s ASP 33 CO 0.80 -0.31 1.01 -0.81 -0.17 0.00 0.00 175.17 175.68 3k12 n PRO 34 N 3.53 2.45 0.24 4.34 -0.04 -1.25 -3.67 135.00 140.59 3k12 n PRO 34 Ca 0.05 -1.22 0.13 0.00 -0.04 0.00 0.00 63.50 62.42 3k12 n PRO 34 Cb 0.36 -1.78 0.39 0.00 -0.04 0.00 0.00 33.50 32.44 3k12 n PRO 34 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3k12 h SER 35 N 1.47 0.00 -4.24 3.54 4.64 -1.93 -3.43 113.55 113.59 3k12 h SER 35 Ca 0.02 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.88 3k12 h SER 35 Cb 1.12 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.34 3k12 h SER 35 CO 0.21 0.08 0.31 -0.83 -0.87 0.00 0.00 176.83 175.73 3k12 s GLY 36 N -4.23 1.59 0.92 -0.77 0.00 -1.24 -5.08 107.32 98.51 3k12 s GLY 36 Ca 0.04 -0.58 -0.16 0.00 0.00 0.00 0.00 44.72 44.02 3k12 s GLY 36 CO 0.62 -0.01 1.19 2.09 0.00 0.00 0.00 173.10 177.00 3k12 n ASP 37 N -3.76 -0.16 -0.35 1.64 5.68 -1.26 -4.74 116.55 113.61 3k12 n ASP 37 Ca 0.07 -1.40 -0.02 0.00 -0.50 0.00 0.00 54.79 52.94 3k12 n ASP 37 Cb 0.59 -0.93 0.10 0.00 -1.14 0.00 0.00 41.12 39.74 3k12 n ASP 37 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3k12 h ILE 38 N -1.82 1.22 -0.68 2.12 6.09 -1.94 -1.54 117.51 120.96 3k12 h ILE 38 Ca -0.39 -0.43 0.04 0.00 -1.37 0.00 0.00 64.86 62.71 3k12 h ILE 38 Cb 1.09 -0.13 -0.05 0.00 0.47 0.00 0.00 36.82 38.20 3k12 h ILE 38 CO 0.27 0.23 0.41 1.56 -3.07 0.00 0.00 178.15 177.55 3k12 h GLN 39 N 1.25 0.76 -0.29 2.19 7.50 -1.93 -0.10 115.11 124.49 3k12 h GLN 39 Ca 0.35 -0.05 -0.15 0.00 0.50 0.00 0.00 58.65 59.30 3k12 h GLN 39 Cb -0.12 -0.17 -0.00 0.00 0.05 0.00 0.00 27.48 27.24 3k12 h GLN 39 CO -0.08 0.50 -0.41 0.22 -1.50 0.00 0.00 178.83 177.56 3k12 h ASP 40 N 0.78 0.86 -0.41 1.46 3.58 -1.80 -1.97 116.42 118.93 3k12 h ASP 40 Ca 0.29 -0.51 -0.07 0.00 0.42 0.00 0.00 57.03 57.15 3k12 h ASP 40 Cb 0.08 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 3k12 h ASP 40 CO -0.13 1.20 -0.03 1.56 -2.88 0.00 0.00 179.24 178.95 3k12 h GLN 41 N 0.55 0.75 -0.54 0.28 4.20 -1.13 -0.97 115.11 118.24 3k12 h GLN 41 Ca 0.03 -0.26 0.02 0.00 0.06 0.00 0.00 58.65 58.51 3k12 h GLN 41 Cb 1.01 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 3k12 h GLN 41 CO 0.10 0.85 0.33 1.15 -0.67 0.00 0.00 178.83 180.58 3k12 h THR 42 N 0.57 1.06 -0.39 -0.54 2.02 -1.02 -0.89 112.91 113.73 3k12 h THR 42 Ca 0.11 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 3k12 h THR 42 Cb 0.53 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3k12 h THR 42 CO 0.03 0.12 0.17 -0.09 0.37 0.00 0.00 175.52 176.11 3k12 h ARG 43 N 0.65 0.57 -0.49 6.66 2.43 -1.23 -0.28 114.38 122.68 3k12 h ARG 43 Ca 0.21 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3k12 h ARG 43 Cb 0.01 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 3k12 h ARG 43 CO -0.09 0.52 0.20 1.96 -1.51 0.00 0.00 179.97 181.06 3k12 h GLN 44 N 0.48 0.39 -0.18 0.20 4.20 -0.68 -0.19 115.11 119.33 3k12 h GLN 44 Ca 0.13 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3k12 h GLN 44 Cb 0.16 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3k12 h GLN 44 CO -0.01 0.26 0.01 0.82 -0.67 0.00 0.00 178.83 179.23 3k12 h ILE 45 N 0.40 1.24 -0.48 2.54 2.04 -0.93 -0.74 117.51 121.59 3k12 h ILE 45 Ca 0.23 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 3k12 h ILE 45 Cb 0.20 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3k12 h ILE 45 CO -0.20 0.25 0.16 -0.07 0.00 0.00 0.00 178.15 178.28 3k12 h LEU 46 N 0.08 0.65 -0.53 1.44 3.38 -0.86 0.03 115.31 119.49 3k12 h LEU 46 Ca 0.05 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3k12 h LEU 46 Cb 0.36 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3k12 h LEU 46 CO 0.01 0.61 -0.01 -0.33 0.09 0.00 0.00 178.44 178.81 3k12 h GLU 47 N 0.70 0.95 -0.72 1.13 5.08 -0.82 -0.34 114.58 120.54 3k12 h GLU 47 Ca 0.16 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3k12 h GLU 47 Cb 0.20 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3k12 h GLU 47 CO -0.01 0.97 0.33 -0.91 -1.00 0.00 0.00 179.01 178.39 3k12 h ASN 48 N 0.82 0.96 -0.66 1.42 -0.26 -0.59 -1.09 115.58 116.18 3k12 h ASN 48 Ca 0.15 -0.14 -0.05 0.00 -0.56 0.00 0.00 56.30 55.70 3k12 h ASN 48 Cb 0.55 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 3k12 h ASN 48 CO 0.03 0.84 0.23 0.40 -1.06 0.00 0.00 177.43 177.86 3k12 h ILE 49 N 1.02 1.25 -0.35 2.81 2.04 -0.76 -0.77 117.51 122.74 3k12 h ILE 49 Ca 0.25 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.36 3k12 h ILE 49 Cb 0.15 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 3k12 h ILE 49 CO -0.03 0.32 -0.10 0.44 0.00 0.00 0.00 178.15 178.78 3k12 h ASP 50 N 0.94 -0.37 -0.39 1.72 3.32 -0.65 0.00 116.42 121.01 3k12 h ASP 50 Ca 0.21 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 3k12 h ASP 50 Cb 0.26 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3k12 h ASP 50 CO -0.01 -0.13 0.21 -0.09 -1.72 0.00 0.00 179.24 177.50 3k12 h ARG 51 N -0.02 0.54 -0.39 3.56 2.43 -0.83 -0.89 114.38 118.78 3k12 h ARG 51 Ca 0.17 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3k12 h ARG 51 Cb 0.28 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3k12 h ARG 51 CO -0.37 0.45 0.21 -0.07 -1.51 0.00 0.00 179.97 178.68 3k12 h LEU 52 N 0.49 0.48 -0.43 3.80 3.38 -0.78 -1.94 115.31 120.32 3k12 h LEU 52 Ca 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3k12 h LEU 52 Cb 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3k12 h LEU 52 CO -0.02 0.43 0.24 -0.07 0.09 0.00 0.00 178.44 179.11 3k12 h LEU 53 N 0.50 0.53 -0.98 1.67 3.38 -0.79 -2.58 115.31 117.03 3k12 h LEU 53 Ca 0.14 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3k12 h LEU 53 Cb 0.05 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 3k12 h LEU 53 CO -0.02 0.45 0.64 -0.61 0.09 0.00 0.00 178.44 178.99 3k12 h GLN 54 N 0.56 1.15 0.00 1.13 4.15 -1.04 0.20 115.11 121.26 3k12 h GLN 54 Ca 0.15 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3k12 h GLN 54 Cb 0.04 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.47 3k12 h GLN 54 CO -0.03 0.76 0.00 0.66 -1.93 0.00 0.00 178.83 178.29 3k12 h SER 55 N 1.18 0.00 -0.28 -0.69 4.64 -0.94 -2.69 113.55 114.77 3k12 h SER 55 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3k12 h SER 55 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3k12 h SER 55 CO -0.16 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.13 3k12 n VAL 56 N -2.98 0.60 -0.60 0.95 0.24 -0.70 -4.96 118.33 110.87 3k12 n VAL 56 Ca -0.01 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 3k12 n VAL 56 Cb 0.18 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 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 0.84 0.63 2.20 7.63 0.00 -1.02 -5.02 105.19 110.45 3k12 n GLY 57 Ca 0.13 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 1.17 1.61 -3.27 1.61 2.88 -0.02 -4.91 113.62 112.68 3k12 n SER 58 Ca 0.00 -1.98 -0.09 0.00 -1.33 0.00 0.00 58.87 55.47 3k12 n SER 58 Cb 0.00 -0.13 -0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 -2.94 0.06 0.64 -3.46 1.47 -1.26 -3.64 116.67 107.54 3k12 s ASP 59 Ca 0.26 -1.05 0.39 0.00 1.18 0.00 0.00 52.55 53.33 3k12 s ASP 59 Cb -0.02 0.78 2.18 0.00 -0.34 0.00 0.00 42.92 45.51 3k12 s ASP 59 CO 0.17 -1.51 2.31 -0.09 0.68 0.00 0.00 175.17 176.72 3k12 h ARG 60 N 2.04 0.00 -0.07 2.11 2.43 -1.95 -1.08 114.38 117.85 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 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3k12 h ARG 60 CO 0.36 0.01 0.00 0.41 -1.51 0.00 0.00 179.97 179.23 3k12 n GLY 61 N -1.07 0.11 0.82 2.80 0.00 -1.26 -4.15 105.19 102.43 3k12 n GLY 61 Ca -0.03 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 0.23 2.56 -2.86 1.61 6.02 -0.41 -4.94 117.38 119.58 3k12 n GLN 62 Ca 0.18 -2.85 -0.41 0.00 -0.01 0.00 0.00 57.00 53.91 3k12 n GLN 62 Cb 0.34 -1.80 -0.04 0.00 1.02 0.00 0.00 30.24 29.76 3k12 n GLN 62 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3k12 s VAL 63 N -2.90 4.78 -0.26 5.09 1.01 -1.26 -0.58 120.40 126.29 3k12 s VAL 63 Ca 0.41 1.82 -0.09 0.00 0.00 0.00 0.00 61.98 64.12 3k12 s VAL 63 Cb 0.34 -4.21 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 3k12 s VAL 63 CO 0.07 0.27 -0.26 0.18 0.00 0.00 0.00 175.10 175.36 3k12 n LEU 64 N 3.31 2.30 -3.81 3.92 4.77 0.07 -4.14 117.00 123.42 3k12 n LEU 64 Ca 0.01 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 3k12 n LEU 64 Cb 0.50 -0.87 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 3k12 n LEU 64 CO 0.49 0.69 -0.12 -0.94 -1.33 0.00 0.00 177.39 176.18 3k12 s SER 65 N -7.14 -0.18 -0.09 -1.43 1.04 -0.67 -1.18 113.70 104.05 3k12 s SER 65 Ca -0.37 0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 3k12 s SER 65 Cb 0.12 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.66 3k12 s SER 65 CO 0.54 -0.15 -0.05 -0.69 0.98 0.00 0.00 173.24 173.86 3k12 s VAL 66 N -0.25 0.77 -0.20 5.02 1.01 -0.05 -1.29 120.40 125.40 3k12 s VAL 66 Ca -0.04 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 3k12 s VAL 66 Cb -0.03 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 3k12 s VAL 66 CO 0.01 0.31 0.48 -0.60 0.00 0.00 0.00 175.10 175.30 3k12 s ARG 67 N 1.56 4.18 -0.24 2.72 6.06 0.12 -1.90 118.95 131.45 3k12 s ARG 67 Ca 0.01 0.34 -0.03 0.00 -2.50 0.00 0.00 55.73 53.55 3k12 s ARG 67 Cb -0.13 -3.56 0.01 0.00 0.06 0.00 0.00 34.95 31.33 3k12 s ARG 67 CO -0.05 -0.13 -0.05 0.42 -2.50 0.00 0.00 175.30 173.00 3k12 s ILE 68 N 1.57 3.14 -0.37 4.11 1.01 0.08 -1.19 121.20 129.55 3k12 s ILE 68 Ca 0.22 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 3k12 s ILE 68 Cb -0.15 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.81 3k12 s ILE 68 CO 0.09 0.30 0.25 -0.76 0.00 0.00 0.00 174.94 174.81 3k12 s LEU 69 N 1.40 4.75 -0.19 2.97 1.43 0.10 -1.90 118.68 127.25 3k12 s LEU 69 Ca 0.03 -0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 52.30 3k12 s LEU 69 Cb -0.15 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 3k12 s LEU 69 CO -0.04 -0.35 0.05 -0.22 0.23 0.00 0.00 176.35 176.02 3k12 s LEU 70 N 1.65 3.71 0.14 1.79 2.96 -0.22 -1.09 118.68 127.63 3k12 s LEU 70 Ca 0.04 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 53.90 3k12 s LEU 70 Cb -0.18 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3k12 s LEU 70 CO 0.09 0.15 1.41 0.00 -1.32 0.00 0.00 176.35 176.68 3k12 h ALA 71 N 6.89 0.51 -3.45 5.97 0.00 -1.35 -0.83 119.26 127.00 3k12 h ALA 71 Ca -0.36 -0.55 -0.40 0.00 0.00 0.00 0.00 54.91 53.60 3k12 h ALA 71 Cb 1.17 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.56 3k12 h ALA 71 CO 0.68 0.70 -0.77 -1.01 0.00 0.00 0.00 179.25 178.85 3k12 s HIS 72 N -3.93 0.66 0.28 0.00 3.76 -1.26 -4.64 115.29 110.15 3k12 s HIS 72 Ca -0.09 -0.16 0.01 0.00 -0.15 0.00 0.00 55.06 54.67 3k12 s HIS 72 Cb 0.10 -0.63 0.61 0.00 1.11 0.00 0.00 32.58 33.77 3k12 s HIS 72 CO 0.87 -0.19 1.77 -0.09 -0.85 0.00 0.00 174.74 176.25 3k12 h ARG 73 N 7.31 0.66 -0.11 1.40 2.43 -1.99 -0.94 114.38 123.14 3k12 h ARG 73 Ca -0.37 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 58.79 3k12 h ARG 73 Cb 1.15 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3k12 h ARG 73 CO 0.45 0.44 0.16 0.93 -1.51 0.00 0.00 179.97 180.44 3k12 h GLU 74 N 0.68 0.00 -0.01 0.20 3.07 -2.01 -2.19 114.58 114.33 3k12 h GLU 74 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 3k12 h GLU 74 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 3k12 h GLU 74 CO -0.37 0.00 -0.09 -0.25 -1.40 0.00 0.00 179.01 176.90 3k12 n ASP 75 N -3.55 0.86 -0.22 1.42 8.00 -0.36 -4.40 116.55 118.31 3k12 n ASP 75 Ca -0.00 -1.00 -0.05 0.00 0.71 0.00 0.00 54.79 54.45 3k12 n ASP 75 Cb 0.26 0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.42 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 1.21 0.75 -0.58 1.24 3.20 -1.50 -1.45 116.97 119.83 3k12 h TYR 76 Ca 0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 3k12 h TYR 76 Cb 0.39 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3k12 h TYR 76 CO 0.00 0.45 -0.04 0.00 -1.64 0.00 0.00 178.16 176.93 3k12 h ALA 77 N 1.25 0.83 -0.56 1.82 0.00 -1.82 -1.89 119.26 118.89 3k12 h ALA 77 Ca 0.24 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3k12 h ALA 77 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3k12 h ALA 77 CO -0.08 0.67 -0.09 0.78 0.00 0.00 0.00 179.25 180.53 3k12 h GLY 78 N 0.97 1.14 0.55 0.00 0.00 -1.78 0.17 103.07 104.12 3k12 h GLY 78 Ca 0.16 -0.91 0.04 0.00 0.00 0.00 0.00 47.33 46.62 3k12 h GLY 78 CO 0.04 0.83 -0.11 -2.00 0.00 0.00 0.00 176.54 175.30 3k12 h LEU 79 N 0.94 -0.35 -1.03 3.11 5.85 -1.13 -2.86 115.31 119.84 3k12 h LEU 79 Ca 0.15 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 3k12 h LEU 79 Cb 0.66 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3k12 h LEU 79 CO 0.05 -0.15 -0.48 0.78 -0.34 0.00 0.00 178.44 178.30 3k12 h ASN 80 N -0.12 0.00 -0.55 1.25 2.35 -1.05 -0.26 115.58 117.21 3k12 h ASN 80 Ca 0.09 -0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.91 3k12 h ASN 80 Cb 0.25 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.56 3k12 h ASN 80 CO -0.21 0.48 0.22 -0.61 -1.65 0.00 0.00 177.43 175.66 3k12 h GLN 81 N 0.00 0.40 0.01 0.81 4.15 -0.44 0.50 115.11 120.54 3k12 h GLN 81 Ca -0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3k12 h GLN 81 Cb 0.85 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.46 3k12 h GLN 81 CO 0.06 0.27 -0.12 0.28 -1.93 0.00 0.00 178.83 177.39 3k12 h VAL 82 N 0.42 1.65 -0.80 2.39 2.07 -1.40 -3.37 116.25 117.21 3k12 h VAL 82 Ca 0.27 -2.07 0.02 0.00 0.82 0.00 0.00 66.70 65.74 3k12 h VAL 82 Cb 0.28 3.03 -0.05 0.00 -1.52 0.00 0.00 31.29 33.03 3k12 h VAL 82 CO -0.25 0.55 0.51 -0.25 0.02 0.00 0.00 177.57 178.15 3k12 h TRP 83 N -0.75 0.97 0.00 1.57 2.91 -0.89 -2.72 115.95 117.03 3k12 h TRP 83 Ca -0.02 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.03 3k12 h TRP 83 Cb 0.97 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 29.30 3k12 h TRP 83 CO 0.22 0.57 0.00 -0.25 -1.03 0.00 0.00 178.44 177.95 3k12 n ASP 84 N -4.57 0.48 -0.56 2.65 8.00 0.15 -1.88 116.55 120.81 3k12 n ASP 84 Ca 0.09 0.63 0.06 0.00 0.71 0.00 0.00 54.79 56.28 3k12 n ASP 84 Cb 0.06 -0.73 0.11 0.00 -0.02 0.00 0.00 41.12 40.54 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 -2.05 1.83 0.00 -1.24 10.64 -1.03 -4.75 117.38 120.78 3k12 n GLN 85 Ca 0.02 -1.66 -0.20 0.00 -1.83 0.00 0.00 57.00 53.33 3k12 n GLN 85 Cb 0.18 -1.25 -0.14 0.00 -0.86 0.00 0.00 30.24 28.17 3k12 n GLN 85 CO 0.00 0.00 0.00 2.35 -1.83 0.00 0.00 177.06 177.58 3k12 h TRP 86 N 2.14 0.38 -3.54 2.61 2.91 -1.33 -3.48 115.95 115.64 3k12 h TRP 86 Ca 0.00 -0.28 -0.51 0.00 1.13 0.00 0.00 58.89 59.23 3k12 h TRP 86 Cb 0.62 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.23 3k12 h TRP 86 CO 0.13 1.40 -0.02 -0.06 -1.03 0.00 0.00 178.44 178.86 3k12 s PHE 87 N -2.42 3.42 0.74 2.65 0.08 -1.26 -5.03 117.98 116.16 3k12 s PHE 87 Ca -0.19 0.98 -0.16 0.00 0.12 0.00 0.00 56.93 57.68 3k12 s PHE 87 Cb 0.02 -2.35 0.02 0.00 -0.57 0.00 0.00 43.02 40.14 3k12 s PHE 87 CO 0.76 0.14 1.02 -2.30 -0.10 0.00 0.00 175.22 174.74 3k12 n PRO 88 N -0.49 0.48 -1.67 0.24 -0.02 -1.26 -4.84 135.00 127.44 3k12 n PRO 88 Ca 0.01 0.22 -0.47 0.00 -2.02 0.00 0.00 63.50 61.25 3k12 n PRO 88 Cb 0.53 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 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 -2.09 2.11 -1.04 -0.52 2.13 -1.26 -1.13 120.64 118.84 3k12 n GLU 89 Ca 0.13 0.77 -0.01 0.00 0.66 0.00 0.00 57.16 58.71 3k12 n GLU 89 Cb 0.50 -2.56 -0.01 0.00 0.27 0.00 0.00 31.44 29.64 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 3.78 0.38 0.07 8.31 0.00 -1.26 -4.88 105.19 111.59 3k12 n GLY 90 Ca 0.19 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.31 1.69 -1.70 1.61 1.74 -0.28 -5.04 116.66 113.36 3k12 n ARG 91 Ca -0.01 -2.15 -0.40 0.00 -0.77 0.00 0.00 57.85 54.52 3k12 n ARG 91 Cb 0.25 -1.29 0.03 0.00 -1.02 0.00 0.00 32.46 30.43 3k12 n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k12 n ALA 92 N -1.07 1.16 -1.73 7.54 0.00 -1.25 -4.72 120.51 120.44 3k12 n ALA 92 Ca 0.10 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 3k12 n ALA 92 Cb 0.53 -2.26 0.14 0.00 0.00 0.00 0.00 19.45 17.86 3k12 n ALA 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3k12 s PRO 93 N -2.51 1.06 0.65 0.00 0.04 -1.26 -5.00 135.00 127.98 3k12 s PRO 93 Ca 0.67 -0.01 -0.16 0.00 0.04 0.00 0.00 61.00 61.54 3k12 s PRO 93 Cb -0.46 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 3k12 s PRO 93 CO 0.53 -2.20 1.14 0.95 0.04 0.00 0.00 177.00 177.47 3k12 s THR 94 N -3.54 2.98 -0.05 1.26 -4.23 -0.33 -4.91 115.64 106.83 3k12 s THR 94 Ca 0.67 0.50 -0.07 0.00 -1.18 0.00 0.00 61.69 61.61 3k12 s THR 94 Cb -0.10 -3.06 0.01 0.00 1.34 0.00 0.00 72.50 70.69 3k12 s THR 94 CO 0.52 -0.24 0.17 -0.60 -0.54 0.00 0.00 174.62 173.93 3k12 s ARG 95 N -3.84 0.30 -0.13 3.99 3.52 -1.26 -0.88 118.95 120.65 3k12 s ARG 95 Ca 0.70 0.05 -0.04 0.00 -0.13 0.00 0.00 55.73 56.32 3k12 s ARG 95 Cb -0.24 0.14 0.06 0.00 -1.56 0.00 0.00 34.95 33.35 3k12 s ARG 95 CO 0.39 -0.05 0.14 0.00 -0.81 0.00 0.00 175.30 174.97 3k12 s ALA 96 N -0.37 0.02 -0.13 6.12 0.00 -0.80 -4.97 121.76 121.65 3k12 s ALA 96 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3k12 s ALA 96 Cb -0.03 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 3k12 s ALA 96 CO 0.01 -0.90 -0.14 0.00 0.00 0.00 0.00 175.76 174.73 3k12 s SER 98 N 0.31 0.39 0.25 0.00 1.04 -0.80 -4.99 113.70 109.89 3k12 s SER 98 Ca -0.11 -1.42 -0.23 0.00 0.48 0.00 0.00 55.95 54.67 3k12 s SER 98 Cb -0.16 0.43 -0.09 0.00 0.10 0.00 0.00 66.02 66.30 3k12 s SER 98 CO 0.06 -0.90 0.81 -0.76 0.98 0.00 0.00 173.24 173.43 3k12 s LEU 99 N -3.19 4.39 0.06 2.42 1.43 -1.26 -1.05 118.68 121.49 3k12 s LEU 99 Ca 0.38 1.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.97 3k12 s LEU 99 Cb 0.06 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.61 3k12 s LEU 99 CO 0.14 0.03 0.28 0.00 0.23 0.00 0.00 176.35 177.03 3k12 s ALA 100 N -1.48 -0.57 -0.26 4.21 0.00 -0.32 -4.81 121.76 118.53 3k12 s ALA 100 Ca 0.44 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.07 3k12 s ALA 100 Cb -0.19 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3k12 s ALA 100 CO 0.23 -0.46 0.35 -2.00 0.00 0.00 0.00 175.76 173.88 3k12 s GLU 101 N -3.02 4.02 0.36 0.00 2.12 -1.26 -4.11 118.70 116.80 3k12 s GLU 101 Ca -0.02 0.00 0.03 0.00 0.36 0.00 0.00 54.97 55.35 3k12 s GLU 101 Cb 0.01 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 3k12 s GLU 101 CO -0.06 -0.24 0.53 -0.51 -0.54 0.00 0.00 175.26 174.44 3k12 s LEU 102 N 1.95 3.94 0.08 2.70 1.43 -1.26 -5.03 118.68 122.50 3k12 s LEU 102 Ca 0.14 0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 53.17 3k12 s LEU 102 Cb -0.16 -3.02 -0.13 0.00 0.03 0.00 0.00 46.19 42.92 3k12 s LEU 102 CO 0.10 -0.42 1.65 0.40 0.23 0.00 0.00 176.35 178.31 3k12 h ILE 103 N 0.76 1.11 -3.61 -0.59 1.08 -1.97 -3.40 117.51 110.88 3k12 h ILE 103 Ca -0.48 -0.32 -0.62 0.00 -0.39 0.00 0.00 64.86 63.05 3k12 h ILE 103 Cb 1.24 1.16 -0.14 0.00 -3.07 0.00 0.00 36.82 36.02 3k12 h ILE 103 CO 0.57 0.10 -0.35 -0.62 -0.69 0.00 0.00 178.15 177.16 3k12 s ASP 104 N -5.41 6.24 0.61 1.72 -1.08 -1.26 -4.96 116.67 112.52 3k12 s ASP 104 Ca -0.14 0.27 0.41 0.00 -0.52 0.00 0.00 52.55 52.57 3k12 s ASP 104 Cb 0.06 -2.17 2.22 0.00 -1.46 0.00 0.00 42.92 41.58 3k12 s ASP 104 CO 0.68 -0.05 2.25 -0.65 0.52 0.00 0.00 175.17 177.93 3k12 h PRO 105 N 7.70 0.00 0.00 4.34 0.11 -2.03 -1.99 132.00 140.13 3k12 h PRO 105 Ca -0.36 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3k12 h PRO 105 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3k12 h PRO 105 CO 0.66 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.37 3k12 h ARG 106 N 0.00 0.00 -6.39 1.05 3.08 -1.93 -3.44 114.38 106.74 3k12 h ARG 106 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3k12 h ARG 106 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3k12 h ARG 106 CO 0.00 0.09 0.57 -1.58 -1.07 0.00 0.00 179.97 177.97 3k12 s TRP 107 N -3.32 3.41 -0.36 3.04 0.51 -0.75 -4.79 118.94 116.69 3k12 s TRP 107 Ca 0.05 1.38 0.22 0.00 -2.12 0.00 0.00 56.10 55.63 3k12 s TRP 107 Cb 0.07 -3.34 -0.14 0.00 -0.81 0.00 0.00 33.47 29.25 3k12 s TRP 107 CO 0.65 -0.93 0.80 0.54 -0.51 0.00 0.00 176.95 177.50 3k12 n ARG 108 N 4.42 0.46 -3.55 4.98 1.74 -1.26 -4.68 116.66 118.77 3k12 n ARG 108 Ca 0.09 -0.06 -0.17 0.00 -0.77 0.00 0.00 57.85 56.94 3k12 n ARG 108 Cb 0.47 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 30.26 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 0.01 0.23 1.55 0.11 -1.26 -1.30 120.40 116.41 3k12 s VAL 109 Ca -0.01 -0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.04 3k12 s VAL 109 Cb 0.14 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 3k12 s VAL 109 CO 0.85 -0.02 0.17 1.21 -3.33 0.00 0.00 175.10 173.97 3k12 n GLU 110 N 1.03 0.37 -3.65 1.54 2.13 -0.25 -4.55 120.64 117.27 3k12 n GLU 110 Ca -0.19 -2.23 -0.03 0.00 0.66 0.00 0.00 57.16 55.37 3k12 n GLU 110 Cb 0.57 1.68 -0.07 0.00 0.27 0.00 0.00 31.44 33.89 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 -2.82 0.00 -0.01 6.31 1.01 -0.33 -0.72 121.20 124.64 3k12 s ILE 112 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.92 3k12 s ILE 112 Cb 0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 3k12 s ILE 112 CO 0.17 0.00 -0.12 -0.69 0.00 0.00 0.00 174.94 174.30 3k12 s VAL 113 N 0.73 0.96 -0.08 2.92 1.01 -0.71 -0.70 120.40 124.54 3k12 s VAL 113 Ca -0.03 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.50 3k12 s VAL 113 Cb -0.04 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 3k12 s VAL 113 CO -0.12 0.28 -0.23 -0.69 0.00 0.00 0.00 175.10 174.34 3k12 s VAL 114 N -0.18 1.91 0.28 2.92 1.01 -0.41 -1.12 120.40 124.80 3k12 s VAL 114 Ca 0.03 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.09 3k12 s VAL 114 Cb -0.06 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3k12 s VAL 114 CO -0.00 0.53 0.20 0.00 0.00 0.00 0.00 175.10 175.83 3k12 s ALA 115 N 0.16 1.67 0.29 5.51 0.00 0.27 -0.75 121.76 128.91 3k12 s ALA 115 Ca -0.12 -1.87 0.10 0.00 0.00 0.00 0.00 51.96 50.07 3k12 s ALA 115 Cb -0.16 1.37 -0.05 0.00 0.00 0.00 0.00 23.12 24.29 3k12 s ALA 115 CO 0.06 -0.60 -0.04 0.00 0.00 0.00 0.00 175.76 175.18 3k12 s ALA 116 N -3.71 3.10 0.00 0.00 0.00 0.26 -0.20 121.76 121.20 3k12 s ALA 116 Ca 0.39 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3k12 s ALA 116 Cb 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.61 3k12 s ALA 116 CO 0.20 0.21 0.15 2.89 0.00 0.00 0.00 175.76 179.21