#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 3.00 -0.17 0.61 1.01 -1.26 -4.71 121.20 119.68 3k12 s ILE 5 Ca 0.00 0.64 -0.08 0.00 0.00 0.00 0.00 60.65 61.20 3k12 s ILE 5 Cb 0.00 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 3k12 s ILE 5 CO 0.00 0.03 0.12 -1.61 0.00 0.00 0.00 174.94 173.48 3k12 s GLU 6 N 1.63 3.91 0.18 2.79 2.02 -0.69 -4.95 118.70 123.60 3k12 s GLU 6 Ca 0.69 -0.23 0.11 0.00 0.02 0.00 0.00 54.97 55.56 3k12 s GLU 6 Cb -0.40 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 3k12 s GLU 6 CO 0.31 0.44 -0.20 1.03 0.02 0.00 0.00 175.26 176.85 3k12 s ARG 7 N -0.05 1.66 0.00 1.61 0.52 -1.26 -0.27 118.95 121.16 3k12 s ARG 7 Ca 0.09 -1.44 0.02 0.00 -0.52 0.00 0.00 55.73 53.89 3k12 s ARG 7 Cb -0.11 -1.94 -0.01 0.00 0.52 0.00 0.00 34.95 33.41 3k12 s ARG 7 CO 0.00 0.41 -0.08 -0.06 0.02 0.00 0.00 175.30 175.60 3k12 s PHE 8 N -1.63 0.71 -0.87 -0.53 0.40 -1.26 -4.88 117.98 109.91 3k12 s PHE 8 Ca 0.21 -0.17 -0.05 0.00 -0.60 0.00 0.00 56.93 56.32 3k12 s PHE 8 Cb -0.08 -0.45 -0.00 0.00 0.51 0.00 0.00 43.02 42.99 3k12 s PHE 8 CO 0.11 -0.01 0.70 0.39 0.70 0.00 0.00 175.22 177.10 3k12 n GLU 9 N 2.71 -1.40 -4.11 0.44 1.02 -1.26 -1.45 120.64 116.58 3k12 n GLU 9 Ca -0.14 1.00 -0.35 0.00 -0.02 0.00 0.00 57.16 57.64 3k12 n GLU 9 Cb 0.57 -4.26 -0.09 0.00 -0.02 0.00 0.00 31.44 27.63 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 -3.12 4.73 0.37 2.62 1.01 -1.26 -1.98 120.40 122.77 3k12 s VAL 10 Ca 0.13 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.07 3k12 s VAL 10 Cb -0.04 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3k12 s VAL 10 CO 0.82 0.53 0.13 0.68 0.00 0.00 0.00 175.10 177.26 3k12 s VAL 11 N -0.23 0.62 0.34 2.92 -7.23 -0.23 -5.00 120.40 111.58 3k12 s VAL 11 Ca 0.07 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.30 3k12 s VAL 11 Cb -0.12 -2.46 0.31 0.00 0.56 0.00 0.00 36.38 34.66 3k12 s VAL 11 CO 0.02 0.00 1.89 0.11 -0.31 0.00 0.00 175.10 176.80 3k12 h LYS 12 N 1.95 0.78 0.00 4.82 1.57 -2.05 -2.81 116.57 120.84 3k12 h LYS 12 Ca -0.36 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.18 3k12 h LYS 12 Cb 1.26 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3k12 h LYS 12 CO 0.57 0.52 -0.89 -0.09 -0.57 0.00 0.00 179.45 178.99 3k12 h ARG 13 N 0.80 0.22 -1.90 3.15 2.43 -2.01 -3.48 114.38 113.60 3k12 h ARG 13 Ca 0.42 -0.25 0.15 0.00 -0.81 0.00 0.00 59.98 59.49 3k12 h ARG 13 Cb 0.53 0.07 -0.18 0.00 -0.42 0.00 0.00 29.97 29.97 3k12 h ARG 13 CO -0.19 0.98 0.60 -0.98 -1.51 0.00 0.00 179.97 178.87 3k12 s ARG 14 N -3.21 0.62 -0.03 0.20 1.70 -1.06 -5.13 118.95 112.05 3k12 s ARG 14 Ca -0.03 -0.16 -0.12 0.00 -0.47 0.00 0.00 55.73 54.95 3k12 s ARG 14 Cb 0.10 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.71 3k12 s ARG 14 CO 0.83 -0.26 0.32 0.00 -1.08 0.00 0.00 175.30 175.12 3k12 s ALA 15 N -2.49 3.76 -1.30 7.88 0.00 -1.26 -1.07 121.76 127.28 3k12 s ALA 15 Ca 0.05 -0.37 0.11 0.00 0.00 0.00 0.00 51.96 51.75 3k12 s ALA 15 Cb -0.01 -2.24 0.53 0.00 0.00 0.00 0.00 23.12 21.40 3k12 s ALA 15 CO -0.06 0.54 1.28 0.39 0.00 0.00 0.00 175.76 177.91 3k12 n GLU 16 N 1.77 0.11 -3.64 0.00 -0.58 -0.53 -4.59 120.64 113.18 3k12 n GLU 16 Ca -0.15 0.22 -0.04 0.00 -0.42 0.00 0.00 57.16 56.77 3k12 n GLU 16 Cb 0.53 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.83 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 -2.70 -2.21 -0.17 0.62 0.00 0.17 -1.70 121.76 115.77 3k12 s ALA 18 Ca 0.09 2.04 -0.04 0.00 0.00 0.00 0.00 51.96 54.05 3k12 s ALA 18 Cb 0.07 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3k12 s ALA 18 CO 0.18 -0.29 -0.03 -1.17 0.00 0.00 0.00 175.76 174.45 3k12 s LEU 19 N 0.86 3.23 -0.30 0.00 2.96 0.63 -0.40 118.68 125.66 3k12 s LEU 19 Ca -0.04 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 3k12 s LEU 19 Cb -0.04 -1.79 0.09 0.00 0.50 0.00 0.00 46.19 44.95 3k12 s LEU 19 CO -0.12 0.13 0.03 -2.28 -1.32 0.00 0.00 176.35 172.80 3k12 s HIS 20 N 0.58 2.76 0.00 5.38 5.65 0.31 -1.70 115.29 128.27 3k12 s HIS 20 Ca -0.02 -2.26 0.00 0.00 0.25 0.00 0.00 55.06 53.02 3k12 s HIS 20 Cb -0.14 -2.17 0.00 0.00 -1.18 0.00 0.00 32.58 29.09 3k12 s HIS 20 CO 0.02 -0.88 0.00 0.41 -0.65 0.00 0.00 174.74 173.65 3k12 n GLY 21 N 4.55 2.74 1.06 1.59 0.00 -1.26 -1.28 105.19 112.59 3k12 n GLY 21 Ca -0.03 0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 10.49 3.87 -4.43 1.61 5.03 -1.26 -4.95 115.26 125.62 3k12 n ASN 22 Ca 0.00 -2.45 -0.33 0.00 0.87 0.00 0.00 54.58 52.67 3k12 n ASN 22 Cb 0.00 -0.45 -0.14 0.00 -1.02 0.00 0.00 39.78 38.18 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 -1.83 3.09 -0.16 3.41 2.01 -0.40 -0.83 115.64 120.93 3k12 s THR 23 Ca 0.39 -0.68 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 3k12 s THR 23 Cb 0.26 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 3k12 s THR 23 CO 0.17 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.90 3k12 s VAL 24 N -0.15 3.62 -0.18 3.82 1.01 0.11 -0.53 120.40 128.10 3k12 s VAL 24 Ca -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 3k12 s VAL 24 Cb -0.13 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 3k12 s VAL 24 CO 0.03 0.49 -0.08 -0.31 0.00 0.00 0.00 175.10 175.23 3k12 s TYR 25 N 0.48 2.90 -0.17 5.22 2.02 0.47 -0.69 117.35 127.58 3k12 s TYR 25 Ca -0.05 -0.84 -0.01 0.00 -0.37 0.00 0.00 57.07 55.80 3k12 s TYR 25 Cb -0.15 -1.99 -0.00 0.00 -0.40 0.00 0.00 41.96 39.42 3k12 s TYR 25 CO 0.03 -0.41 -0.13 0.42 -1.57 0.00 0.00 175.55 173.89 3k12 s ILE 26 N 1.00 2.85 0.26 2.71 1.01 -0.17 -0.66 121.20 128.21 3k12 s ILE 26 Ca -0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 3k12 s ILE 26 Cb -0.15 -2.23 0.06 0.00 0.01 0.00 0.00 42.46 40.16 3k12 s ILE 26 CO -0.01 0.50 0.29 0.61 0.00 0.00 0.00 174.94 176.33 3k12 n GLY 27 N 4.21 -1.88 3.68 6.18 0.00 -0.69 -1.74 105.19 114.95 3k12 n GLY 27 Ca -0.19 -1.57 -0.44 0.00 0.00 0.00 0.00 46.02 43.82 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 1.82 1.59 3.40 -0.02 0.00 -1.26 -4.61 105.19 106.12 3k12 n GLY 28 Ca 0.04 0.77 -0.34 0.00 0.00 0.00 0.00 46.02 46.49 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 3.23 3.51 0.25 1.61 -1.52 -1.26 -5.02 119.66 120.46 3k12 s GLN 29 Ca 0.86 -0.58 0.04 0.00 -1.95 0.00 0.00 55.36 53.73 3k12 s GLN 29 Cb -0.55 -2.93 -0.05 0.00 -0.22 0.00 0.00 33.01 29.25 3k12 s GLN 29 CO 0.42 0.04 -0.01 0.14 -0.25 0.00 0.00 175.29 175.63 3k12 s VAL 30 N 0.88 1.23 0.12 1.09 -7.23 -1.26 -4.22 120.40 111.01 3k12 s VAL 30 Ca -0.01 -2.06 -0.31 0.00 -1.81 0.00 0.00 61.98 57.79 3k12 s VAL 30 Cb -0.15 -2.41 -0.08 0.00 0.56 0.00 0.00 36.38 34.30 3k12 s VAL 30 CO 0.01 -0.29 1.41 0.00 -0.31 0.00 0.00 175.10 175.92 3k12 s ALA 31 N -3.29 3.61 0.39 1.32 0.00 -1.26 -4.75 121.76 117.78 3k12 s ALA 31 Ca 0.29 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.45 3k12 s ALA 31 Cb 0.05 -3.55 0.79 0.00 0.00 0.00 0.00 23.12 20.41 3k12 s ALA 31 CO 0.10 -0.64 2.03 -0.44 0.00 0.00 0.00 175.76 176.81 3k12 h ASP 32 N 6.84 0.53 -4.23 0.00 3.32 -1.94 -3.31 116.42 117.64 3k12 h ASP 32 Ca -0.42 -0.02 -0.65 0.00 0.02 0.00 0.00 57.03 55.96 3k12 h ASP 32 Cb 1.21 -0.13 -0.40 0.00 0.22 0.00 0.00 39.33 40.23 3k12 h ASP 32 CO 0.87 0.40 -0.57 -0.62 -1.72 0.00 0.00 179.24 177.61 3k12 s ASP 33 N -6.64 4.55 -0.06 6.45 2.15 -1.26 -4.98 116.67 116.87 3k12 s ASP 33 Ca -0.09 -3.07 0.03 0.00 0.43 0.00 0.00 52.55 49.85 3k12 s ASP 33 Cb 0.17 -1.68 0.19 0.00 -0.30 0.00 0.00 42.92 41.30 3k12 s ASP 33 CO 0.74 -0.24 0.85 -0.81 -0.17 0.00 0.00 175.17 175.54 3k12 n PRO 34 N 3.06 1.86 0.22 4.34 -0.04 -1.25 -3.90 135.00 139.30 3k12 n PRO 34 Ca 0.07 -0.75 0.12 0.00 -0.04 0.00 0.00 63.50 62.90 3k12 n PRO 34 Cb 0.33 -1.64 0.31 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.87 0.00 -4.62 3.54 4.64 -1.94 -3.43 113.55 112.61 3k12 h SER 35 Ca 0.02 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.99 3k12 h SER 35 Cb 0.93 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.10 3k12 h SER 35 CO 0.14 0.09 0.14 0.61 -0.87 0.00 0.00 176.83 176.94 3k12 n GLY 36 N 0.76 0.20 3.89 -0.77 0.00 -1.25 -5.11 105.19 102.90 3k12 n GLY 36 Ca 0.02 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 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 -4.22 2.80 0.22 1.61 1.47 -1.26 -4.76 116.67 112.53 3k12 s ASP 37 Ca 0.52 0.29 -0.09 0.00 1.18 0.00 0.00 52.55 54.45 3k12 s ASP 37 Cb -0.03 -0.34 0.22 0.00 -0.34 0.00 0.00 42.92 42.43 3k12 s ASP 37 CO 0.35 -2.93 1.87 -0.29 0.68 0.00 0.00 175.17 174.85 3k12 h ILE 38 N -1.78 1.14 -0.47 2.11 6.09 -1.94 -1.04 117.51 121.63 3k12 h ILE 38 Ca -0.44 -0.35 0.02 0.00 -1.37 0.00 0.00 64.86 62.72 3k12 h ILE 38 Cb 1.24 0.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.54 3k12 h ILE 38 CO 0.36 0.18 0.27 1.56 -3.07 0.00 0.00 178.15 177.46 3k12 h GLN 39 N 1.01 0.53 -0.40 2.19 7.50 -1.93 0.75 115.11 124.76 3k12 h GLN 39 Ca 0.31 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.41 3k12 h GLN 39 Cb -0.02 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.37 3k12 h GLN 39 CO -0.10 0.35 0.18 0.22 -1.50 0.00 0.00 178.83 177.98 3k12 h ASP 40 N 0.55 0.54 -0.42 1.46 3.58 -1.75 -1.84 116.42 118.54 3k12 h ASP 40 Ca 0.19 -0.15 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 3k12 h ASP 40 Cb 0.02 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 3k12 h ASP 40 CO -0.09 0.54 -0.18 1.56 -2.88 0.00 0.00 179.24 178.20 3k12 h GLN 41 N 0.51 0.90 -0.28 0.28 4.20 -0.96 -1.57 115.11 118.18 3k12 h GLN 41 Ca 0.14 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 3k12 h GLN 41 Cb 0.16 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3k12 h GLN 41 CO -0.01 1.01 0.16 1.15 -0.67 0.00 0.00 178.83 180.46 3k12 h THR 42 N 0.79 1.12 -0.53 -0.54 2.02 -0.76 -1.66 112.91 113.36 3k12 h THR 42 Ca 0.11 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 66.98 3k12 h THR 42 Cb 0.72 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 3k12 h THR 42 CO 0.06 0.12 0.35 -0.09 0.37 0.00 0.00 175.52 176.33 3k12 h ARG 43 N 0.34 0.69 -0.54 6.66 2.43 -1.21 -0.53 114.38 122.22 3k12 h ARG 43 Ca 0.10 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3k12 h ARG 43 Cb 0.06 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 3k12 h ARG 43 CO -0.02 0.45 0.31 1.96 -1.51 0.00 0.00 179.97 181.17 3k12 h GLN 44 N 0.71 0.59 -0.30 0.20 4.20 -1.00 0.31 115.11 119.82 3k12 h GLN 44 Ca 0.20 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 3k12 h GLN 44 Cb -0.07 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3k12 h GLN 44 CO -0.05 0.39 0.03 0.82 -0.67 0.00 0.00 178.83 179.34 3k12 h ILE 45 N 0.60 1.25 -0.53 2.54 2.04 -1.06 -0.80 117.51 121.55 3k12 h ILE 45 Ca 0.22 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 3k12 h ILE 45 Cb 0.06 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3k12 h ILE 45 CO -0.12 0.28 0.08 -0.07 0.00 0.00 0.00 178.15 178.32 3k12 h LEU 46 N 0.31 0.80 -0.53 1.44 3.38 -0.82 0.04 115.31 119.93 3k12 h LEU 46 Ca 0.09 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3k12 h LEU 46 Cb 0.39 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3k12 h LEU 46 CO 0.01 0.81 0.08 -0.33 0.09 0.00 0.00 178.44 179.11 3k12 h GLU 47 N 0.80 0.89 -0.68 1.13 5.08 -0.81 -0.74 114.58 120.24 3k12 h GLU 47 Ca 0.17 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3k12 h GLU 47 Cb 0.37 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3k12 h GLU 47 CO 0.01 0.87 0.41 -0.91 -1.00 0.00 0.00 179.01 178.39 3k12 h ASN 48 N 0.77 0.81 -0.71 1.42 2.35 -0.63 -1.41 115.58 118.19 3k12 h ASN 48 Ca 0.16 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3k12 h ASN 48 Cb 0.41 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 3k12 h ASN 48 CO 0.01 0.63 0.46 0.40 -1.65 0.00 0.00 177.43 177.28 3k12 h ILE 49 N 0.92 1.12 -0.44 2.81 2.04 -0.80 -0.50 117.51 122.66 3k12 h ILE 49 Ca 0.24 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.87 3k12 h ILE 49 Cb -0.04 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.11 3k12 h ILE 49 CO -0.05 0.16 0.01 0.44 0.00 0.00 0.00 178.15 178.72 3k12 h ASP 50 N 0.90 -0.15 -0.32 1.72 3.32 -0.54 0.11 116.42 121.46 3k12 h ASP 50 Ca 0.28 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 3k12 h ASP 50 Cb -0.02 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3k12 h ASP 50 CO -0.09 -0.04 0.08 -0.09 -1.72 0.00 0.00 179.24 177.38 3k12 h ARG 51 N 0.13 0.51 -0.46 3.56 2.43 -0.76 -0.34 114.38 119.45 3k12 h ARG 51 Ca 0.22 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3k12 h ARG 51 Cb 0.31 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3k12 h ARG 51 CO -0.35 0.57 0.23 -0.07 -1.51 0.00 0.00 179.97 178.83 3k12 h LEU 52 N 0.36 0.60 -0.64 3.80 3.38 -0.82 -2.12 115.31 119.87 3k12 h LEU 52 Ca 0.10 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3k12 h LEU 52 Cb 0.28 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3k12 h LEU 52 CO -0.00 0.55 0.27 -0.07 0.09 0.00 0.00 178.44 179.28 3k12 h LEU 53 N 0.60 0.86 -1.23 1.67 3.38 -0.75 -2.52 115.31 117.33 3k12 h LEU 53 Ca 0.16 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3k12 h LEU 53 Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3k12 h LEU 53 CO -0.02 0.79 0.02 -0.61 0.09 0.00 0.00 178.44 178.70 3k12 h GLN 54 N 0.89 0.54 0.00 1.13 -0.00 -0.84 0.30 115.11 117.13 3k12 h GLN 54 Ca 0.21 -0.11 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 3k12 h GLN 54 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.58 3k12 h GLN 54 CO -0.02 0.56 0.00 0.66 0.00 0.00 0.00 178.83 180.03 3k12 h SER 55 N 0.52 0.00 -0.26 -0.69 4.64 -0.93 -2.36 113.55 114.48 3k12 h SER 55 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3k12 h SER 55 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 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 -2.57 1.14 -1.08 0.95 0.24 -0.91 -4.97 118.33 111.13 3k12 n VAL 56 Ca -0.00 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.19 3k12 n VAL 56 Cb 0.17 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 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 0.16 0.42 0.48 7.63 0.00 -0.89 -4.99 105.19 108.01 3k12 n GLY 57 Ca 0.10 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.09 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 1.88 0.82 -3.29 1.61 2.88 0.05 -4.57 113.62 113.01 3k12 n SER 58 Ca 0.00 -1.22 -0.07 0.00 -1.33 0.00 0.00 58.87 56.25 3k12 n SER 58 Cb 0.07 -0.02 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.42 -0.07 0.60 -3.46 1.47 -1.26 -3.77 116.67 108.75 3k12 s ASP 59 Ca 0.05 -0.88 0.31 0.00 1.18 0.00 0.00 52.55 53.21 3k12 s ASP 59 Cb -0.00 0.74 1.85 0.00 -0.34 0.00 0.00 42.92 45.17 3k12 s ASP 59 CO 0.03 -1.43 2.24 -0.09 0.68 0.00 0.00 175.17 176.60 3k12 h ARG 60 N 2.00 0.00 -0.10 2.11 2.43 -1.95 -1.22 114.38 117.65 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 0.34 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.21 3k12 n GLY 61 N -1.31 -0.00 0.73 2.80 0.00 -1.26 -4.12 105.19 102.02 3k12 n GLY 61 Ca -0.02 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 0.09 2.31 -3.02 1.61 6.02 -0.46 -4.94 117.38 118.98 3k12 n GLN 62 Ca 0.17 -2.85 -0.40 0.00 -0.01 0.00 0.00 57.00 53.92 3k12 n GLN 62 Cb 0.29 -1.75 -0.05 0.00 1.02 0.00 0.00 30.24 29.75 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 -2.92 4.63 -0.25 5.09 1.01 -1.26 -0.80 120.40 125.89 3k12 s VAL 63 Ca 0.40 1.60 -0.09 0.00 0.00 0.00 0.00 61.98 63.89 3k12 s VAL 63 Cb 0.34 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 3k12 s VAL 63 CO 0.05 0.43 -0.30 0.18 0.00 0.00 0.00 175.10 175.47 3k12 n LEU 64 N 2.34 2.15 -3.82 3.92 4.77 -0.04 -4.15 117.00 122.17 3k12 n LEU 64 Ca -0.04 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 3k12 n LEU 64 Cb 0.50 -0.78 -0.11 0.00 -2.33 0.00 0.00 43.42 40.69 3k12 n LEU 64 CO 0.46 0.64 -0.13 -0.94 -1.33 0.00 0.00 177.39 176.09 3k12 s SER 65 N -7.05 -0.15 -0.08 -1.43 1.04 -0.61 -1.32 113.70 104.11 3k12 s SER 65 Ca -0.35 0.24 -0.00 0.00 0.48 0.00 0.00 55.95 56.32 3k12 s SER 65 Cb 0.12 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.63 3k12 s SER 65 CO 0.48 -0.17 -0.04 -0.69 0.98 0.00 0.00 173.24 173.80 3k12 s VAL 66 N -0.35 0.68 -0.21 5.02 1.01 -0.24 -1.26 120.40 125.05 3k12 s VAL 66 Ca -0.04 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 3k12 s VAL 66 Cb -0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3k12 s VAL 66 CO 0.01 0.29 0.46 -0.60 0.00 0.00 0.00 175.10 175.26 3k12 s ARG 67 N 1.48 4.16 -0.22 2.72 6.06 -0.17 -1.80 118.95 131.18 3k12 s ARG 67 Ca -0.01 0.29 -0.02 0.00 -2.50 0.00 0.00 55.73 53.49 3k12 s ARG 67 Cb -0.13 -3.57 0.01 0.00 0.06 0.00 0.00 34.95 31.32 3k12 s ARG 67 CO -0.04 -0.13 -0.09 0.42 -2.50 0.00 0.00 175.30 172.96 3k12 s ILE 68 N 1.59 2.90 -0.36 4.11 1.01 0.14 -1.18 121.20 129.41 3k12 s ILE 68 Ca 0.21 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 3k12 s ILE 68 Cb -0.15 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 40.00 3k12 s ILE 68 CO 0.09 0.40 0.20 -0.76 0.00 0.00 0.00 174.94 174.87 3k12 s LEU 69 N 1.39 4.57 -0.17 2.97 1.43 0.22 -2.03 118.68 127.06 3k12 s LEU 69 Ca 0.04 -0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 52.26 3k12 s LEU 69 Cb -0.14 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 3k12 s LEU 69 CO -0.06 -0.33 -0.01 -0.22 0.23 0.00 0.00 176.35 175.96 3k12 s LEU 70 N 1.59 3.37 0.10 1.79 2.96 -0.31 -1.28 118.68 126.91 3k12 s LEU 70 Ca 0.03 -0.10 -0.13 0.00 -0.22 0.00 0.00 54.13 53.71 3k12 s LEU 70 Cb -0.18 -1.83 -0.12 0.00 0.50 0.00 0.00 46.19 44.56 3k12 s LEU 70 CO 0.07 0.15 1.36 0.00 -1.32 0.00 0.00 176.35 176.61 3k12 h ALA 71 N 6.84 0.38 -3.45 5.97 0.00 -1.36 -0.50 119.26 127.15 3k12 h ALA 71 Ca -0.33 -0.52 -0.45 0.00 0.00 0.00 0.00 54.91 53.61 3k12 h ALA 71 Cb 1.18 -0.05 -0.34 0.00 0.00 0.00 0.00 17.79 18.58 3k12 h ALA 71 CO 0.64 0.60 -0.79 -1.01 0.00 0.00 0.00 179.25 178.69 3k12 s HIS 72 N -4.02 1.03 0.29 0.00 3.76 -1.26 -4.63 115.29 110.46 3k12 s HIS 72 Ca -0.11 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 54.48 3k12 s HIS 72 Cb 0.09 -0.82 0.57 0.00 1.11 0.00 0.00 32.58 33.53 3k12 s HIS 72 CO 0.88 -0.22 1.84 -0.09 -0.85 0.00 0.00 174.74 176.30 3k12 h ARG 73 N 7.07 0.95 0.00 1.40 2.43 -1.99 -0.93 114.38 123.31 3k12 h ARG 73 Ca -0.35 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3k12 h ARG 73 Cb 1.17 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3k12 h ARG 73 CO 0.48 0.63 0.08 0.93 -1.51 0.00 0.00 179.97 180.58 3k12 h GLU 74 N 0.98 0.00 -0.01 0.20 3.07 -2.01 -1.76 114.58 115.05 3k12 h GLU 74 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 3k12 h GLU 74 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3k12 h GLU 74 CO -0.25 0.00 -0.13 -0.25 -1.40 0.00 0.00 179.01 176.98 3k12 n ASP 75 N -2.87 1.18 -0.11 1.42 8.00 -0.35 -4.42 116.55 119.40 3k12 n ASP 75 Ca -0.02 -1.15 -0.09 0.00 0.71 0.00 0.00 54.79 54.24 3k12 n ASP 75 Cb 0.14 0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.29 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 1.66 0.48 -0.89 1.24 3.20 -1.44 -0.66 116.97 120.56 3k12 h TYR 76 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3k12 h TYR 76 Cb 0.48 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 3k12 h TYR 76 CO 0.00 0.36 0.52 0.00 -1.64 0.00 0.00 178.16 177.40 3k12 h ALA 77 N 1.08 1.14 -0.58 1.82 0.00 -1.82 -1.66 119.26 119.25 3k12 h ALA 77 Ca 0.13 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3k12 h ALA 77 Cb 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3k12 h ALA 77 CO -0.02 0.61 0.02 0.78 0.00 0.00 0.00 179.25 180.64 3k12 h GLY 78 N 1.23 1.09 0.35 0.00 0.00 -1.76 0.52 103.07 104.51 3k12 h GLY 78 Ca 0.32 -0.79 0.04 0.00 0.00 0.00 0.00 47.33 46.90 3k12 h GLY 78 CO -0.06 0.73 -0.25 -2.00 0.00 0.00 0.00 176.54 174.96 3k12 h LEU 79 N 0.90 -0.75 -1.38 3.11 5.85 -0.90 -2.91 115.31 119.23 3k12 h LEU 79 Ca 0.17 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 3k12 h LEU 79 Cb 0.53 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3k12 h LEU 79 CO 0.03 -0.31 -0.31 0.78 -0.34 0.00 0.00 178.44 178.29 3k12 h ASN 80 N -0.35 0.00 -0.44 1.25 2.35 -0.99 -1.32 115.58 116.08 3k12 h ASN 80 Ca 0.08 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3k12 h ASN 80 Cb 0.47 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.80 3k12 h ASN 80 CO -0.27 0.31 0.23 -0.61 -1.65 0.00 0.00 177.43 175.44 3k12 h GLN 81 N 0.00 0.44 -0.00 0.81 4.15 -0.70 0.44 115.11 120.25 3k12 h GLN 81 Ca -0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 3k12 h GLN 81 Cb 0.58 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.17 3k12 h GLN 81 CO 0.04 0.29 -0.08 0.28 -1.93 0.00 0.00 178.83 177.43 3k12 h VAL 82 N 0.45 1.57 -0.66 2.39 2.07 -1.43 -3.36 116.25 117.29 3k12 h VAL 82 Ca 0.19 -1.79 0.03 0.00 0.82 0.00 0.00 66.70 65.95 3k12 h VAL 82 Cb 0.09 2.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 3k12 h VAL 82 CO -0.13 0.47 0.41 -0.25 0.02 0.00 0.00 177.57 178.09 3k12 h TRP 83 N -0.65 0.76 0.00 1.57 2.91 -1.11 -2.76 115.95 116.67 3k12 h TRP 83 Ca -0.01 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.03 3k12 h TRP 83 Cb 0.82 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.22 3k12 h TRP 83 CO 0.18 0.43 0.00 -0.44 -1.03 0.00 0.00 178.44 177.58 3k12 h ASP 84 N 0.79 0.00 -0.02 2.65 3.32 -1.05 -1.84 116.42 120.26 3k12 h ASP 84 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3k12 h ASP 84 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3k12 h ASP 84 CO -0.11 0.00 -0.15 0.00 -1.72 0.00 0.00 179.24 177.26 3k12 n GLN 85 N -2.65 1.96 -0.06 3.56 6.02 -1.05 -4.75 117.38 120.41 3k12 n GLN 85 Ca 0.00 -1.61 -0.22 0.00 -0.01 0.00 0.00 57.00 55.17 3k12 n GLN 85 Cb 0.21 -1.47 -0.12 0.00 1.02 0.00 0.00 30.24 29.87 3k12 n GLN 85 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 3k12 n TRP 86 N 0.88 1.08 -3.11 1.08 -0.00 -0.69 -4.98 117.44 111.71 3k12 n TRP 86 Ca 0.13 0.36 -0.33 0.00 -0.00 0.00 0.00 57.50 57.66 3k12 n TRP 86 Cb 0.55 -1.12 -0.06 0.00 -0.00 0.00 0.00 31.31 30.68 3k12 n TRP 86 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 177.69 177.63 3k12 s PHE 87 N -2.44 3.38 0.64 5.87 0.08 -1.26 -5.01 117.98 119.24 3k12 s PHE 87 Ca -0.27 1.26 -0.18 0.00 0.12 0.00 0.00 56.93 57.87 3k12 s PHE 87 Cb 0.06 -2.57 -0.03 0.00 -0.57 0.00 0.00 43.02 39.91 3k12 s PHE 87 CO 0.66 0.09 0.98 -2.30 -0.10 0.00 0.00 175.22 174.55 3k12 n PRO 88 N -0.33 0.80 -1.67 0.24 -0.02 -1.26 -4.82 135.00 127.94 3k12 n PRO 88 Ca 0.03 0.32 -0.51 0.00 -2.02 0.00 0.00 63.50 61.33 3k12 n PRO 88 Cb 0.53 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.30 1.71 -1.05 -0.52 2.13 -1.26 -1.06 120.64 119.29 3k12 n GLU 89 Ca 0.14 0.62 -0.02 0.00 0.66 0.00 0.00 57.16 58.57 3k12 n GLU 89 Cb 0.48 -2.37 -0.01 0.00 0.27 0.00 0.00 31.44 29.81 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 3.82 0.45 0.07 8.31 0.00 -1.26 -4.88 105.19 111.70 3k12 n GLY 90 Ca 0.22 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.73 1.59 -1.72 1.61 1.74 -0.22 -5.05 116.66 112.88 3k12 n ARG 91 Ca -0.02 -2.27 -0.40 0.00 -0.77 0.00 0.00 57.85 54.39 3k12 n ARG 91 Cb 0.21 -1.34 0.02 0.00 -1.02 0.00 0.00 32.46 30.32 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 -1.17 1.47 -1.70 7.54 0.00 -1.26 -4.73 120.51 120.67 3k12 n ALA 92 Ca 0.12 0.25 -0.29 0.00 0.00 0.00 0.00 53.44 53.51 3k12 n ALA 92 Cb 0.56 -2.30 0.14 0.00 0.00 0.00 0.00 19.45 17.85 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 -2.31 1.12 0.63 0.00 0.04 -1.26 -5.00 135.00 128.23 3k12 s PRO 93 Ca 0.62 0.05 -0.17 0.00 0.04 0.00 0.00 61.00 61.55 3k12 s PRO 93 Cb -0.49 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 3k12 s PRO 93 CO 0.57 -2.16 1.15 0.95 0.04 0.00 0.00 177.00 177.55 3k12 s THR 94 N -3.49 2.96 -0.04 1.26 -4.23 -0.43 -4.91 115.64 106.76 3k12 s THR 94 Ca 0.66 0.51 -0.07 0.00 -1.18 0.00 0.00 61.69 61.61 3k12 s THR 94 Cb -0.11 -3.08 0.01 0.00 1.34 0.00 0.00 72.50 70.66 3k12 s THR 94 CO 0.52 -0.22 0.17 -0.60 -0.54 0.00 0.00 174.62 173.95 3k12 s ARG 95 N -3.75 0.30 -0.13 3.99 3.52 -1.26 -1.08 118.95 120.54 3k12 s ARG 95 Ca 0.71 0.03 -0.04 0.00 -0.13 0.00 0.00 55.73 56.30 3k12 s ARG 95 Cb -0.24 0.14 0.06 0.00 -1.56 0.00 0.00 34.95 33.34 3k12 s ARG 95 CO 0.37 -0.06 0.17 0.00 -0.81 0.00 0.00 175.30 174.98 3k12 s ALA 96 N -0.41 -0.11 -0.11 6.12 0.00 -0.75 -4.97 121.76 121.53 3k12 s ALA 96 Ca -0.05 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.28 3k12 s ALA 96 Cb -0.03 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 3k12 s ALA 96 CO 0.01 -0.85 -0.18 0.00 0.00 0.00 0.00 175.76 174.74 3k12 s SER 98 N 0.27 0.33 0.34 0.00 1.04 -0.86 -5.00 113.70 109.82 3k12 s SER 98 Ca -0.13 -1.40 -0.21 0.00 0.48 0.00 0.00 55.95 54.69 3k12 s SER 98 Cb -0.16 0.43 -0.10 0.00 0.10 0.00 0.00 66.02 66.28 3k12 s SER 98 CO 0.07 -0.90 0.87 -0.76 0.98 0.00 0.00 173.24 173.49 3k12 s LEU 99 N -3.18 4.17 -0.01 2.42 1.43 -1.26 -1.16 118.68 121.10 3k12 s LEU 99 Ca 0.38 1.62 -0.22 0.00 -1.03 0.00 0.00 54.13 54.87 3k12 s LEU 99 Cb 0.06 -4.10 0.05 0.00 0.03 0.00 0.00 46.19 42.22 3k12 s LEU 99 CO 0.14 -0.16 0.48 0.00 0.23 0.00 0.00 176.35 177.04 3k12 s ALA 100 N -1.83 -1.23 -0.32 4.21 0.00 -0.20 -4.79 121.76 117.61 3k12 s ALA 100 Ca 0.53 0.70 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 3k12 s ALA 100 Cb -0.14 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3k12 s ALA 100 CO 0.19 -0.36 0.52 -2.00 0.00 0.00 0.00 175.76 174.11 3k12 s GLU 101 N -1.62 3.80 0.40 0.00 2.12 -1.26 -4.06 118.70 118.09 3k12 s GLU 101 Ca -0.10 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.28 3k12 s GLU 101 Cb -0.02 -3.75 -0.01 0.00 0.26 0.00 0.00 34.13 30.61 3k12 s GLU 101 CO 0.04 -0.54 0.61 -0.51 -0.54 0.00 0.00 175.26 174.32 3k12 s LEU 102 N 2.40 3.80 0.06 2.70 1.43 -1.26 -5.03 118.68 122.78 3k12 s LEU 102 Ca 0.20 0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 53.38 3k12 s LEU 102 Cb -0.15 -3.17 -0.12 0.00 0.03 0.00 0.00 46.19 42.78 3k12 s LEU 102 CO 0.12 -0.54 1.52 0.40 0.23 0.00 0.00 176.35 178.08 3k12 h ILE 103 N 0.57 1.22 -3.52 -0.59 1.08 -1.97 -3.39 117.51 110.91 3k12 h ILE 103 Ca -0.47 -0.72 -0.61 0.00 -0.39 0.00 0.00 64.86 62.67 3k12 h ILE 103 Cb 1.24 1.44 -0.12 0.00 -3.07 0.00 0.00 36.82 36.31 3k12 h ILE 103 CO 0.58 0.21 -0.04 -0.62 -0.69 0.00 0.00 178.15 177.59 3k12 s ASP 104 N -5.68 6.49 0.27 1.72 -1.08 -1.26 -4.96 116.67 112.18 3k12 s ASP 104 Ca -0.14 0.59 0.20 0.00 -0.52 0.00 0.00 52.55 52.68 3k12 s ASP 104 Cb 0.06 -2.28 1.02 0.00 -1.46 0.00 0.00 42.92 40.26 3k12 s ASP 104 CO 0.71 -0.23 1.62 -0.81 0.52 0.00 0.00 175.17 176.98 3k12 n PRO 105 N 5.13 0.14 0.17 4.34 -0.04 -1.26 -1.89 135.00 141.60 3k12 n PRO 105 Ca -0.05 0.56 0.06 0.00 -0.04 0.00 0.00 63.50 64.03 3k12 n PRO 105 Cb 0.50 -1.89 0.18 0.00 -0.04 0.00 0.00 33.50 32.25 3k12 n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k12 h ARG 106 N 0.00 0.00 -6.42 0.54 3.08 -1.93 -3.45 114.38 106.21 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 0.11 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.16 3k12 h ARG 106 CO 0.00 0.36 0.84 -1.58 -1.07 0.00 0.00 179.97 178.51 3k12 s TRP 107 N -3.21 2.86 -0.64 3.04 0.51 -0.79 -4.79 118.94 115.92 3k12 s TRP 107 Ca 0.03 0.77 0.23 0.00 -2.12 0.00 0.00 56.10 55.01 3k12 s TRP 107 Cb 0.08 -3.71 0.04 0.00 -0.81 0.00 0.00 33.47 29.07 3k12 s TRP 107 CO 0.70 -2.63 1.02 0.54 -0.51 0.00 0.00 176.95 176.07 3k12 n ARG 108 N 5.14 0.26 -3.56 4.98 1.74 -1.26 -4.67 116.66 119.29 3k12 n ARG 108 Ca 0.13 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 57.06 3k12 n ARG 108 Cb 0.43 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 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 -3.18 0.00 0.29 1.55 0.11 -1.26 -1.35 120.40 116.56 3k12 s VAL 109 Ca 0.04 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 3k12 s VAL 109 Cb 0.15 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 3k12 s VAL 109 CO 0.81 0.00 0.25 1.21 -3.33 0.00 0.00 175.10 174.03 3k12 n GLU 110 N 1.13 0.36 -3.65 1.54 2.13 -0.40 -4.54 120.64 117.21 3k12 n GLU 110 Ca -0.15 -2.87 -0.03 0.00 0.66 0.00 0.00 57.16 54.77 3k12 n GLU 110 Cb 0.57 2.37 -0.07 0.00 0.27 0.00 0.00 31.44 34.58 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 -3.17 0.00 -0.02 6.31 1.01 -0.32 -0.61 121.20 124.41 3k12 s ILE 112 Ca 0.34 0.00 0.04 0.00 0.00 0.00 0.00 60.65 61.03 3k12 s ILE 112 Cb 0.02 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 3k12 s ILE 112 CO 0.24 0.00 -0.12 -0.69 0.00 0.00 0.00 174.94 174.37 3k12 s VAL 113 N 0.73 1.00 -0.06 2.92 1.01 -0.71 -1.00 120.40 124.29 3k12 s VAL 113 Ca -0.02 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.49 3k12 s VAL 113 Cb -0.04 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3k12 s VAL 113 CO -0.12 0.29 -0.25 -0.69 0.00 0.00 0.00 175.10 174.33 3k12 s VAL 114 N -0.19 2.06 0.26 2.92 1.01 -0.39 -0.99 120.40 125.08 3k12 s VAL 114 Ca 0.03 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 3k12 s VAL 114 Cb -0.06 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3k12 s VAL 114 CO -0.00 0.57 0.25 0.00 0.00 0.00 0.00 175.10 175.92 3k12 s ALA 115 N -0.16 1.15 0.23 5.51 0.00 0.13 -0.86 121.76 127.76 3k12 s ALA 115 Ca -0.04 -1.69 0.08 0.00 0.00 0.00 0.00 51.96 50.32 3k12 s ALA 115 Cb -0.14 1.35 -0.04 0.00 0.00 0.00 0.00 23.12 24.29 3k12 s ALA 115 CO 0.04 -0.66 0.03 0.00 0.00 0.00 0.00 175.76 175.16 3k12 s ALA 116 N -3.83 3.24 -0.17 0.00 0.00 0.02 0.09 121.76 121.11 3k12 s ALA 116 Ca 0.37 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 3k12 s ALA 116 Cb 0.04 -0.94 0.05 0.00 0.00 0.00 0.00 23.12 22.28 3k12 s ALA 116 CO 0.17 0.34 0.02 0.50 0.00 0.00 0.00 175.76 176.78 3k12 s ARG 117 N -3.44 0.76 0.00 0.00 3.52 -0.01 -4.66 118.95 115.12 3k12 s ARG 117 Ca 0.30 -0.34 0.01 0.00 -0.13 0.00 0.00 55.73 55.57 3k12 s ARG 117 Cb -0.08 -1.88 0.05 0.00 -1.56 0.00 0.00 34.95 31.49 3k12 s ARG 117 CO 0.20 -0.54 0.55 0.39 -0.81 0.00 0.00 175.30 175.08