#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 4.74 -0.13 1.59 1.01 -1.26 -4.55 121.20 122.60 3k12 s ILE 5 Ca 0.00 2.05 -0.05 0.00 0.00 0.00 0.00 60.65 62.65 3k12 s ILE 5 Cb 0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 3k12 s ILE 5 CO 0.00 0.21 0.05 -1.61 0.00 0.00 0.00 174.94 173.59 3k12 s GLU 6 N 0.71 3.42 0.12 2.79 2.02 -0.60 -4.96 118.70 122.20 3k12 s GLU 6 Ca 0.51 -0.32 0.09 0.00 0.02 0.00 0.00 54.97 55.27 3k12 s GLU 6 Cb -0.22 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 3k12 s GLU 6 CO 0.29 0.58 -0.23 1.03 0.02 0.00 0.00 175.26 176.94 3k12 s ARG 7 N -0.51 1.24 -0.01 1.61 0.52 -1.26 -0.10 118.95 120.44 3k12 s ARG 7 Ca 0.10 -1.24 0.02 0.00 -0.52 0.00 0.00 55.73 54.09 3k12 s ARG 7 Cb -0.12 -1.59 -0.00 0.00 0.52 0.00 0.00 34.95 33.76 3k12 s ARG 7 CO 0.02 0.37 -0.08 -0.06 0.02 0.00 0.00 175.30 175.57 3k12 s PHE 8 N -1.15 0.75 -0.91 -0.53 0.40 -1.26 -4.86 117.98 110.42 3k12 s PHE 8 Ca 0.10 -0.15 -0.07 0.00 -0.60 0.00 0.00 56.93 56.21 3k12 s PHE 8 Cb -0.10 -0.50 -0.01 0.00 0.51 0.00 0.00 43.02 42.92 3k12 s PHE 8 CO 0.05 -0.03 0.73 0.39 0.70 0.00 0.00 175.22 177.06 3k12 n GLU 9 N 2.99 -1.45 -4.50 0.44 1.02 -1.26 -1.81 120.64 116.08 3k12 n GLU 9 Ca -0.14 0.97 -0.34 0.00 -0.02 0.00 0.00 57.16 57.63 3k12 n GLU 9 Cb 0.57 -4.56 -0.12 0.00 -0.02 0.00 0.00 31.44 27.31 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 -3.17 3.80 0.36 2.62 1.01 -1.26 -1.72 120.40 122.04 3k12 s VAL 10 Ca 0.19 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3k12 s VAL 10 Cb -0.06 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3k12 s VAL 10 CO 0.81 0.54 0.20 0.68 0.00 0.00 0.00 175.10 177.33 3k12 s VAL 11 N -0.07 0.29 0.29 2.92 -7.23 -0.30 -4.99 120.40 111.31 3k12 s VAL 11 Ca 0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 3k12 s VAL 11 Cb -0.13 -2.42 0.28 0.00 0.56 0.00 0.00 36.38 34.67 3k12 s VAL 11 CO 0.03 0.00 1.77 0.11 -0.31 0.00 0.00 175.10 176.70 3k12 h LYS 12 N 1.99 0.70 -0.08 4.82 1.57 -2.05 -2.50 116.57 121.02 3k12 h LYS 12 Ca -0.30 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.25 3k12 h LYS 12 Cb 1.25 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3k12 h LYS 12 CO 0.47 0.46 -0.72 -0.09 -0.57 0.00 0.00 179.45 179.01 3k12 h ARG 13 N 0.72 0.40 -1.74 3.15 2.43 -2.01 -3.48 114.38 113.86 3k12 h ARG 13 Ca 0.55 -0.33 0.16 0.00 -0.81 0.00 0.00 59.98 59.55 3k12 h ARG 13 Cb 0.83 0.07 -0.19 0.00 -0.42 0.00 0.00 29.97 30.26 3k12 h ARG 13 CO -0.38 0.96 0.65 -0.98 -1.51 0.00 0.00 179.97 178.71 3k12 s ARG 14 N -3.64 0.53 0.01 0.20 1.70 -0.94 -5.12 118.95 111.69 3k12 s ARG 14 Ca -0.06 -0.10 -0.18 0.00 -0.47 0.00 0.00 55.73 54.92 3k12 s ARG 14 Cb 0.11 0.25 -0.06 0.00 -0.57 0.00 0.00 34.95 34.67 3k12 s ARG 14 CO 0.84 -0.21 0.52 0.00 -1.08 0.00 0.00 175.30 175.36 3k12 s ALA 15 N -2.21 3.58 -1.51 7.88 0.00 -1.26 -1.15 121.76 127.10 3k12 s ALA 15 Ca 0.05 -0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.02 3k12 s ALA 15 Cb -0.01 -2.59 0.36 0.00 0.00 0.00 0.00 23.12 20.89 3k12 s ALA 15 CO -0.05 0.32 1.05 0.39 0.00 0.00 0.00 175.76 177.48 3k12 n GLU 16 N 2.20 0.12 -3.64 0.00 -0.58 -0.70 -4.61 120.64 113.42 3k12 n GLU 16 Ca -0.10 0.19 -0.05 0.00 -0.42 0.00 0.00 57.16 56.78 3k12 n GLU 16 Cb 0.51 -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 -2.49 -2.17 -0.13 0.62 0.00 -0.03 -1.88 121.76 115.67 3k12 s ALA 18 Ca 0.07 2.07 -0.02 0.00 0.00 0.00 0.00 51.96 54.08 3k12 s ALA 18 Cb 0.05 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 3k12 s ALA 18 CO 0.10 -0.30 -0.06 -1.17 0.00 0.00 0.00 175.76 174.34 3k12 s LEU 19 N 0.89 3.15 -0.30 0.00 2.96 0.85 -0.46 118.68 125.78 3k12 s LEU 19 Ca -0.04 -0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.73 3k12 s LEU 19 Cb -0.04 -1.74 0.09 0.00 0.50 0.00 0.00 46.19 45.00 3k12 s LEU 19 CO -0.12 0.21 0.07 -2.28 -1.32 0.00 0.00 176.35 172.91 3k12 s HIS 20 N 0.13 1.95 0.00 5.38 5.65 0.02 -1.55 115.29 126.87 3k12 s HIS 20 Ca -0.02 -1.81 0.00 0.00 0.25 0.00 0.00 55.06 53.47 3k12 s HIS 20 Cb -0.14 -1.79 0.00 0.00 -1.18 0.00 0.00 32.58 29.47 3k12 s HIS 20 CO 0.03 -0.86 0.00 0.41 -0.65 0.00 0.00 174.74 173.68 3k12 n GLY 21 N 4.78 2.31 0.74 1.59 0.00 -1.26 -1.51 105.19 111.85 3k12 n GLY 21 Ca -0.03 0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 10.89 3.55 -4.50 1.61 3.02 -1.26 -4.95 115.26 123.62 3k12 n ASN 22 Ca 0.00 -2.90 -0.34 0.00 -0.03 0.00 0.00 54.58 51.32 3k12 n ASN 22 Cb 0.00 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.56 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 -2.60 3.67 -0.13 3.41 2.01 -0.57 -1.08 115.64 120.35 3k12 s THR 23 Ca 0.38 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 3k12 s THR 23 Cb 0.30 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 3k12 s THR 23 CO 0.09 0.53 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.79 3k12 s VAL 24 N 0.02 3.63 -0.16 3.82 1.01 0.76 -0.80 120.40 128.69 3k12 s VAL 24 Ca -0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 3k12 s VAL 24 Cb -0.14 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 3k12 s VAL 24 CO 0.03 0.52 -0.14 -0.31 0.00 0.00 0.00 175.10 175.20 3k12 s TYR 25 N 0.15 2.80 -0.13 5.22 2.02 0.39 -0.56 117.35 127.24 3k12 s TYR 25 Ca -0.03 -1.00 0.02 0.00 -0.37 0.00 0.00 57.07 55.69 3k12 s TYR 25 Cb -0.14 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 3k12 s TYR 25 CO 0.03 -0.46 -0.20 0.42 -1.57 0.00 0.00 175.55 173.77 3k12 s ILE 26 N 0.83 2.25 0.25 2.71 1.01 -0.05 -0.85 121.20 127.36 3k12 s ILE 26 Ca -0.05 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 3k12 s ILE 26 Cb -0.15 -1.91 0.06 0.00 0.01 0.00 0.00 42.46 40.47 3k12 s ILE 26 CO -0.00 0.54 0.28 0.61 0.00 0.00 0.00 174.94 176.38 3k12 n GLY 27 N 3.90 -1.76 3.68 6.18 0.00 -0.79 -1.45 105.19 114.97 3k12 n GLY 27 Ca -0.19 -1.59 -0.51 0.00 0.00 0.00 0.00 46.02 43.73 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 2.09 1.18 3.37 -0.02 0.00 -1.26 -4.58 105.19 105.97 3k12 n GLY 28 Ca 0.04 0.86 -0.33 0.00 0.00 0.00 0.00 46.02 46.58 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 3.40 3.41 0.25 1.61 -1.52 -1.26 -5.02 119.66 120.52 3k12 s GLN 29 Ca 0.93 -0.65 0.04 0.00 -1.95 0.00 0.00 55.36 53.72 3k12 s GLN 29 Cb -0.83 -2.75 -0.05 0.00 -0.22 0.00 0.00 33.01 29.16 3k12 s GLN 29 CO 0.55 0.12 0.01 0.14 -0.25 0.00 0.00 175.29 175.85 3k12 s VAL 30 N 0.62 1.06 0.11 1.09 -7.23 -1.26 -4.28 120.40 110.52 3k12 s VAL 30 Ca -0.06 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 57.77 3k12 s VAL 30 Cb -0.15 -2.43 -0.07 0.00 0.56 0.00 0.00 36.38 34.30 3k12 s VAL 30 CO 0.03 -0.26 1.20 0.00 -0.31 0.00 0.00 175.10 175.75 3k12 s ALA 31 N -3.40 3.41 0.36 1.32 0.00 -1.26 -4.74 121.76 117.45 3k12 s ALA 31 Ca 0.30 0.89 0.05 0.00 0.00 0.00 0.00 51.96 53.20 3k12 s ALA 31 Cb 0.06 -3.43 0.71 0.00 0.00 0.00 0.00 23.12 20.46 3k12 s ALA 31 CO 0.10 -0.40 1.98 -0.44 0.00 0.00 0.00 175.76 177.00 3k12 h ASP 32 N 6.14 0.68 -3.87 0.00 3.32 -1.93 -3.31 116.42 117.44 3k12 h ASP 32 Ca -0.43 -0.00 -0.64 0.00 0.02 0.00 0.00 57.03 55.98 3k12 h ASP 32 Cb 1.21 -0.15 -0.40 0.00 0.22 0.00 0.00 39.33 40.21 3k12 h ASP 32 CO 0.78 0.46 -0.69 -0.62 -1.72 0.00 0.00 179.24 177.45 3k12 s ASP 33 N -6.31 4.42 -0.12 6.45 2.15 -1.26 -4.98 116.67 117.03 3k12 s ASP 33 Ca -0.10 -2.47 0.05 0.00 0.43 0.00 0.00 52.55 50.46 3k12 s ASP 33 Cb 0.19 -1.50 0.35 0.00 -0.30 0.00 0.00 42.92 41.65 3k12 s ASP 33 CO 0.77 -0.32 1.09 -0.81 -0.17 0.00 0.00 175.17 175.74 3k12 n PRO 34 N 3.81 2.52 0.13 4.34 -0.04 -1.25 -3.94 135.00 140.57 3k12 n PRO 34 Ca 0.04 -1.35 0.12 0.00 -0.04 0.00 0.00 63.50 62.27 3k12 n PRO 34 Cb 0.38 -1.78 0.46 0.00 -0.04 0.00 0.00 33.50 32.51 3k12 n PRO 34 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3k12 n SER 35 N 0.20 0.75 -4.64 3.54 3.41 -1.26 -4.74 113.62 110.88 3k12 n SER 35 Ca 0.14 0.64 -0.24 0.00 -0.26 0.00 0.00 58.87 59.14 3k12 n SER 35 Cb 0.71 -0.81 0.11 0.00 -0.26 0.00 0.00 64.21 63.96 3k12 n SER 35 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3k12 s GLY 36 N -3.58 1.76 0.94 5.00 0.00 -1.25 -5.10 107.32 105.08 3k12 s GLY 36 Ca 0.07 -1.57 -0.14 0.00 0.00 0.00 0.00 44.72 43.08 3k12 s GLY 36 CO 0.48 -1.00 1.28 0.51 0.00 0.00 0.00 173.10 174.37 3k12 s ASP 37 N -4.72 3.20 0.29 1.64 1.47 -1.26 -4.72 116.67 112.57 3k12 s ASP 37 Ca 0.66 0.12 -0.03 0.00 1.18 0.00 0.00 52.55 54.48 3k12 s ASP 37 Cb -0.06 -0.17 0.41 0.00 -0.34 0.00 0.00 42.92 42.76 3k12 s ASP 37 CO 0.45 -2.66 1.96 -0.29 0.68 0.00 0.00 175.17 175.30 3k12 h ILE 38 N -1.51 1.21 -0.54 2.11 6.09 -1.95 -0.20 117.51 122.71 3k12 h ILE 38 Ca -0.43 -0.40 -0.07 0.00 -1.37 0.00 0.00 64.86 62.60 3k12 h ILE 38 Cb 1.23 -0.06 -0.02 0.00 0.47 0.00 0.00 36.82 38.44 3k12 h ILE 38 CO 0.36 0.21 0.08 1.56 -3.07 0.00 0.00 178.15 177.30 3k12 h GLN 39 N 1.16 0.90 -0.26 2.19 7.50 -1.93 0.82 115.11 125.50 3k12 h GLN 39 Ca 0.33 -0.24 -0.04 0.00 0.50 0.00 0.00 58.65 59.20 3k12 h GLN 39 Cb -0.10 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.31 3k12 h GLN 39 CO -0.08 0.88 0.02 0.22 -1.50 0.00 0.00 178.83 178.37 3k12 h ASP 40 N 0.79 0.43 -0.79 1.46 3.58 -1.72 -1.62 116.42 118.54 3k12 h ASP 40 Ca 0.16 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.28 3k12 h ASP 40 Cb 0.41 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.31 3k12 h ASP 40 CO 0.01 0.61 0.32 1.56 -2.88 0.00 0.00 179.24 178.86 3k12 h GLN 41 N 0.23 1.19 -0.31 0.28 4.20 -0.91 -0.87 115.11 118.92 3k12 h GLN 41 Ca 0.08 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 3k12 h GLN 41 Cb 0.37 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3k12 h GLN 41 CO 0.01 0.96 0.14 1.15 -0.67 0.00 0.00 178.83 180.41 3k12 h THR 42 N 1.16 1.17 -0.69 -0.54 2.02 -0.69 -1.63 112.91 113.71 3k12 h THR 42 Ca 0.27 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3k12 h THR 42 Cb 0.21 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3k12 h THR 42 CO -0.02 0.18 0.33 0.03 0.37 0.00 0.00 175.52 176.41 3k12 h ARG 43 N 0.36 0.99 -0.37 6.66 3.08 -1.06 -1.03 114.38 123.00 3k12 h ARG 43 Ca 0.10 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3k12 h ARG 43 Cb 0.15 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3k12 h ARG 43 CO -0.01 0.78 0.16 1.96 -1.07 0.00 0.00 179.97 181.79 3k12 h GLN 44 N 0.96 0.32 -0.26 0.04 4.20 -0.92 0.59 115.11 120.04 3k12 h GLN 44 Ca 0.24 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 3k12 h GLN 44 Cb 0.12 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3k12 h GLN 44 CO -0.03 0.21 0.07 0.82 -0.67 0.00 0.00 178.83 179.23 3k12 h ILE 45 N 0.33 1.20 -0.29 2.54 2.04 -1.04 -0.74 117.51 121.56 3k12 h ILE 45 Ca 0.17 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 3k12 h ILE 45 Cb 0.11 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3k12 h ILE 45 CO -0.15 0.22 -0.20 -0.07 0.00 0.00 0.00 178.15 177.95 3k12 h LEU 46 N 0.25 0.54 -0.74 1.44 3.38 -0.97 -0.07 115.31 119.14 3k12 h LEU 46 Ca 0.08 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3k12 h LEU 46 Cb 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3k12 h LEU 46 CO -0.00 0.75 -0.46 -0.33 0.09 0.00 0.00 178.44 178.48 3k12 h GLU 47 N 0.48 0.39 -0.54 1.13 5.08 -0.67 -0.37 114.58 120.08 3k12 h GLU 47 Ca 0.08 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 3k12 h GLU 47 Cb 0.62 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3k12 h GLU 47 CO 0.04 0.78 -0.05 -0.97 -1.00 0.00 0.00 179.01 177.81 3k12 h ASN 48 N 0.32 0.95 -0.71 1.42 -1.24 -0.60 -1.82 115.58 113.90 3k12 h ASN 48 Ca 0.02 -0.28 0.02 0.00 0.71 0.00 0.00 56.30 56.78 3k12 h ASN 48 Cb 0.94 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.69 3k12 h ASN 48 CO 0.08 1.03 0.45 0.40 -1.29 0.00 0.00 177.43 178.10 3k12 h ILE 49 N 0.87 1.12 -0.29 2.57 2.04 -0.79 -0.42 117.51 122.62 3k12 h ILE 49 Ca 0.15 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.76 3k12 h ILE 49 Cb 0.59 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 3k12 h ILE 49 CO 0.04 0.16 -0.09 0.44 0.00 0.00 0.00 178.15 178.70 3k12 h ASP 50 N 0.89 -0.32 -0.74 1.72 3.32 -0.69 -0.11 116.42 120.49 3k12 h ASP 50 Ca 0.28 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 3k12 h ASP 50 Cb -0.01 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 3k12 h ASP 50 CO -0.10 -0.12 0.43 0.03 -1.72 0.00 0.00 179.24 177.76 3k12 h ARG 51 N -0.03 1.01 -0.06 3.56 3.08 -0.80 0.87 114.38 122.02 3k12 h ARG 51 Ca 0.14 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3k12 h ARG 51 Cb 0.25 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3k12 h ARG 51 CO -0.31 0.73 0.00 -0.07 -1.07 0.00 0.00 179.97 179.25 3k12 h LEU 52 N 1.01 0.10 -0.39 3.04 3.38 -0.75 -2.01 115.31 119.68 3k12 h LEU 52 Ca 0.26 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3k12 h LEU 52 Cb -0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3k12 h LEU 52 CO -0.05 0.36 0.22 -0.07 0.09 0.00 0.00 178.44 178.99 3k12 h LEU 53 N -0.17 0.34 -1.67 1.67 3.38 -0.83 -2.35 115.31 115.68 3k12 h LEU 53 Ca 0.02 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3k12 h LEU 53 Cb 0.31 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3k12 h LEU 53 CO 0.00 0.25 -0.09 1.56 0.09 0.00 0.00 178.44 180.25 3k12 h GLN 54 N 0.44 0.09 0.00 1.13 4.20 -0.73 0.63 115.11 120.88 3k12 h GLN 54 Ca 0.16 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3k12 h GLN 54 Cb 0.03 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3k12 h GLN 54 CO -0.09 0.19 -0.01 0.66 -0.67 0.00 0.00 178.83 178.92 3k12 h SER 55 N 0.09 0.00 -0.23 1.46 4.64 -0.79 -1.94 113.55 116.78 3k12 h SER 55 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3k12 h SER 55 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3k12 h SER 55 CO 0.01 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.31 3k12 n VAL 56 N -3.12 1.69 -1.45 0.95 0.24 -0.75 -4.98 118.33 110.91 3k12 n VAL 56 Ca -0.01 -1.56 0.00 0.00 -2.04 0.00 0.00 64.34 60.73 3k12 n VAL 56 Cb 0.20 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 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 -0.30 0.38 2.50 7.63 0.00 -0.73 -5.00 105.19 109.68 3k12 n GLY 57 Ca 0.15 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 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 1.99 2.02 -3.09 1.61 2.88 0.14 -4.66 113.62 114.51 3k12 n SER 58 Ca 0.00 -2.20 -0.08 0.00 -1.33 0.00 0.00 58.87 55.26 3k12 n SER 58 Cb 0.23 -0.07 0.02 0.00 -0.75 0.00 0.00 64.21 63.64 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 -3.15 -0.03 0.00 -3.46 1.47 -1.26 -3.15 116.67 107.08 3k12 s ASP 59 Ca 0.24 -1.04 0.19 0.00 1.18 0.00 0.00 52.55 53.12 3k12 s ASP 59 Cb -0.02 0.81 1.03 0.00 -0.34 0.00 0.00 42.92 44.40 3k12 s ASP 59 CO 0.15 -1.60 1.56 -2.11 0.68 0.00 0.00 175.17 173.86 3k12 n ARG 60 N -0.53 0.40 0.00 2.11 1.85 -1.26 -1.47 116.66 117.76 3k12 n ARG 60 Ca -0.07 0.07 0.14 0.00 -1.00 0.00 0.00 57.85 56.98 3k12 n ARG 60 Cb 0.60 -1.50 0.52 0.00 -1.05 0.00 0.00 32.46 31.03 3k12 n ARG 60 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3k12 n GLY 61 N 0.26 -0.19 0.28 2.89 0.00 -1.26 -4.29 105.19 102.89 3k12 n GLY 61 Ca 0.11 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.07 1.35 -2.99 1.61 6.02 -0.54 -4.95 117.38 117.80 3k12 n GLN 62 Ca 0.18 -2.80 -0.37 0.00 -0.01 0.00 0.00 57.00 54.00 3k12 n GLN 62 Cb 0.34 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 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 -2.91 4.44 -0.20 5.09 1.01 -1.26 -0.72 120.40 125.85 3k12 s VAL 63 Ca 0.34 1.49 -0.08 0.00 0.00 0.00 0.00 61.98 63.72 3k12 s VAL 63 Cb 0.31 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 3k12 s VAL 63 CO -0.01 0.23 -0.24 0.18 0.00 0.00 0.00 175.10 175.26 3k12 n LEU 64 N 0.79 1.59 -3.86 3.92 4.77 0.61 -4.29 117.00 120.53 3k12 n LEU 64 Ca -0.02 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 3k12 n LEU 64 Cb 0.50 -0.59 -0.12 0.00 -2.33 0.00 0.00 43.42 40.89 3k12 n LEU 64 CO 0.44 0.46 -0.22 -0.94 -1.33 0.00 0.00 177.39 175.80 3k12 s SER 65 N -6.64 -0.05 -0.08 -1.43 1.04 -0.64 -2.08 113.70 103.83 3k12 s SER 65 Ca -0.27 0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 3k12 s SER 65 Cb 0.10 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.47 3k12 s SER 65 CO 0.36 -0.18 -0.04 -0.69 0.98 0.00 0.00 173.24 173.67 3k12 s VAL 66 N -0.55 0.64 -0.16 5.02 1.01 0.05 -1.41 120.40 124.99 3k12 s VAL 66 Ca -0.06 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 3k12 s VAL 66 Cb -0.04 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 3k12 s VAL 66 CO 0.01 0.29 0.50 -0.60 0.00 0.00 0.00 175.10 175.29 3k12 s ARG 67 N 1.59 4.26 -0.25 2.72 6.06 -0.19 -2.13 118.95 131.01 3k12 s ARG 67 Ca 0.00 0.42 -0.02 0.00 -2.50 0.00 0.00 55.73 53.64 3k12 s ARG 67 Cb -0.13 -3.51 0.03 0.00 0.06 0.00 0.00 34.95 31.40 3k12 s ARG 67 CO -0.04 -0.01 -0.07 0.42 -2.50 0.00 0.00 175.30 173.10 3k12 s ILE 68 N 1.18 2.85 -0.38 4.11 1.01 0.02 -1.29 121.20 128.70 3k12 s ILE 68 Ca 0.25 -1.02 -0.14 0.00 0.00 0.00 0.00 60.65 59.74 3k12 s ILE 68 Cb -0.15 -2.44 0.01 0.00 0.01 0.00 0.00 42.46 39.89 3k12 s ILE 68 CO 0.10 0.21 0.27 -0.76 0.00 0.00 0.00 174.94 174.76 3k12 s LEU 69 N 1.32 4.88 -0.18 2.97 1.43 0.43 -2.25 118.68 127.28 3k12 s LEU 69 Ca 0.00 -0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 52.26 3k12 s LEU 69 Cb -0.17 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3k12 s LEU 69 CO -0.05 -0.38 0.07 -0.22 0.23 0.00 0.00 176.35 176.01 3k12 s LEU 70 N 1.68 3.86 0.11 1.79 2.96 -0.24 -1.01 118.68 127.83 3k12 s LEU 70 Ca 0.05 0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 53.96 3k12 s LEU 70 Cb -0.19 -1.98 -0.13 0.00 0.50 0.00 0.00 46.19 44.40 3k12 s LEU 70 CO 0.10 0.18 1.30 0.00 -1.32 0.00 0.00 176.35 176.61 3k12 h ALA 71 N 6.67 0.33 -3.43 5.97 0.00 -1.39 -1.09 119.26 126.31 3k12 h ALA 71 Ca -0.37 -0.64 -0.44 0.00 0.00 0.00 0.00 54.91 53.46 3k12 h ALA 71 Cb 1.17 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 18.61 3k12 h ALA 71 CO 0.71 0.71 -0.78 -1.01 0.00 0.00 0.00 179.25 178.88 3k12 s HIS 72 N -3.57 0.94 0.37 0.00 3.76 -1.26 -4.68 115.29 110.86 3k12 s HIS 72 Ca -0.09 -0.30 0.10 0.00 -0.15 0.00 0.00 55.06 54.62 3k12 s HIS 72 Cb 0.09 -0.79 0.87 0.00 1.11 0.00 0.00 32.58 33.86 3k12 s HIS 72 CO 0.89 -0.23 1.89 -0.09 -0.85 0.00 0.00 174.74 176.35 3k12 h ARG 73 N 7.21 0.61 0.00 1.40 9.65 -1.99 -0.71 114.38 130.55 3k12 h ARG 73 Ca -0.35 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 3k12 h ARG 73 Cb 1.16 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 3k12 h ARG 73 CO 0.46 0.40 0.00 1.05 2.80 0.00 0.00 179.97 184.68 3k12 h GLU 74 N 0.63 0.00 -0.00 0.20 9.09 -2.01 -2.09 114.58 120.39 3k12 h GLU 74 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 3k12 h GLU 74 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 3k12 h GLU 74 CO -0.17 0.00 -0.06 -0.25 0.05 0.00 0.00 179.01 178.58 3k12 n ASP 75 N -2.72 0.46 -0.22 3.06 8.00 -0.27 -4.22 116.55 120.64 3k12 n ASP 75 Ca 0.00 -0.78 -0.06 0.00 0.71 0.00 0.00 54.79 54.67 3k12 n ASP 75 Cb 0.23 -0.06 0.04 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.63 0.79 -0.69 1.24 3.20 -1.50 -1.80 116.97 118.85 3k12 h TYR 76 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3k12 h TYR 76 Cb 0.28 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3k12 h TYR 76 CO 0.00 0.50 0.35 0.00 -1.64 0.00 0.00 178.16 177.37 3k12 h ALA 77 N 1.23 0.89 -0.56 1.82 0.00 -1.82 -1.60 119.26 119.21 3k12 h ALA 77 Ca 0.23 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3k12 h ALA 77 Cb -0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3k12 h ALA 77 CO -0.05 0.43 0.03 0.78 0.00 0.00 0.00 179.25 180.44 3k12 h GLY 78 N 0.96 1.01 0.95 0.00 0.00 -1.77 -0.64 103.07 103.58 3k12 h GLY 78 Ca 0.24 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.88 3k12 h GLY 78 CO -0.03 0.64 0.10 -2.00 0.00 0.00 0.00 176.54 175.25 3k12 h LEU 79 N 0.87 0.17 -0.88 3.11 5.85 -0.95 -2.91 115.31 120.57 3k12 h LEU 79 Ca 0.17 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 3k12 h LEU 79 Cb 0.48 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3k12 h LEU 79 CO 0.02 0.13 -0.40 0.78 -0.34 0.00 0.00 178.44 178.62 3k12 h ASN 80 N 0.22 0.34 -0.49 1.25 2.35 -1.03 -0.89 115.58 117.34 3k12 h ASN 80 Ca 0.07 -0.14 0.09 0.00 -0.55 0.00 0.00 56.30 55.76 3k12 h ASN 80 Cb -0.00 -0.10 -0.07 0.00 0.05 0.00 0.00 38.32 38.20 3k12 h ASN 80 CO -0.04 0.71 0.07 -0.61 -1.65 0.00 0.00 177.43 175.91 3k12 h GLN 81 N 0.27 0.19 0.03 0.81 4.15 -0.94 0.60 115.11 120.23 3k12 h GLN 81 Ca 0.03 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 3k12 h GLN 81 Cb 0.83 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.48 3k12 h GLN 81 CO 0.07 0.12 -0.02 0.28 -1.93 0.00 0.00 178.83 177.36 3k12 h VAL 82 N 0.19 1.40 -0.53 2.39 2.07 -1.32 -3.34 116.25 117.11 3k12 h VAL 82 Ca 0.24 -1.57 0.11 0.00 0.82 0.00 0.00 66.70 66.31 3k12 h VAL 82 Cb 0.34 2.41 -0.09 0.00 -1.52 0.00 0.00 31.29 32.43 3k12 h VAL 82 CO -0.34 0.39 -0.05 -0.25 0.02 0.00 0.00 177.57 177.33 3k12 h TRP 83 N -0.75 -0.13 0.00 1.57 2.91 -0.91 -2.55 115.95 116.09 3k12 h TRP 83 Ca -0.00 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.06 3k12 h TRP 83 Cb 0.67 0.14 0.00 0.00 -0.51 0.00 0.00 29.16 29.45 3k12 h TRP 83 CO 0.16 -0.17 0.00 -0.25 -1.03 0.00 0.00 178.44 177.15 3k12 n ASP 84 N -5.30 0.09 -0.22 2.65 8.00 0.18 -2.05 116.55 119.90 3k12 n ASP 84 Ca 0.06 0.52 0.03 0.00 0.71 0.00 0.00 54.79 56.11 3k12 n ASP 84 Cb 0.29 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.60 0.22 0.09 -1.24 1.13 -1.04 -4.80 117.38 110.13 3k12 n GLN 85 Ca 0.04 -0.96 -0.22 0.00 -1.94 0.00 0.00 57.00 53.92 3k12 n GLN 85 Cb 0.20 -1.10 -0.15 0.00 0.11 0.00 0.00 30.24 29.30 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 1.01 0.78 -3.30 1.08 2.91 -1.01 -3.48 115.95 113.94 3k12 h TRP 86 Ca 0.00 -0.54 -0.50 0.00 1.13 0.00 0.00 58.89 58.97 3k12 h TRP 86 Cb 0.28 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 28.89 3k12 h TRP 86 CO 0.02 1.41 -0.06 -0.06 -1.03 0.00 0.00 178.44 178.72 3k12 s PHE 87 N -2.63 3.49 0.80 2.65 0.08 -1.26 -5.06 117.98 116.05 3k12 s PHE 87 Ca -0.11 0.71 -0.13 0.00 0.12 0.00 0.00 56.93 57.51 3k12 s PHE 87 Cb 0.03 -2.17 0.08 0.00 -0.57 0.00 0.00 43.02 40.39 3k12 s PHE 87 CO 0.89 0.04 1.21 -2.14 -0.10 0.00 0.00 175.22 175.12 3k12 s PRO 88 N -3.91 1.68 -0.40 0.24 0.02 -1.26 -4.83 135.00 126.54 3k12 s PRO 88 Ca 0.45 1.78 -0.42 0.00 0.02 0.00 0.00 61.00 62.83 3k12 s PRO 88 Cb -0.10 -1.78 -0.17 0.00 0.02 0.00 0.00 34.50 32.47 3k12 s PRO 88 CO 0.33 -2.19 1.88 -1.91 -0.33 0.00 0.00 177.00 174.79 3k12 n GLU 89 N -3.23 0.55 -0.93 5.54 2.13 -1.26 -1.21 120.64 122.24 3k12 n GLU 89 Ca 0.14 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.14 3k12 n GLU 89 Cb 0.50 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.35 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 5.38 0.23 0.76 8.31 0.00 -1.26 -4.84 105.19 113.77 3k12 n GLY 90 Ca 0.37 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.84 2.74 -1.77 1.61 1.74 -0.35 -5.00 116.66 114.78 3k12 n ARG 91 Ca 0.00 -2.12 -0.40 0.00 -0.77 0.00 0.00 57.85 54.56 3k12 n ARG 91 Cb 0.24 -1.32 0.01 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.72 2.28 -1.45 7.54 0.00 -1.25 -4.71 120.51 123.63 3k12 n ALA 92 Ca 0.14 0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 3k12 n ALA 92 Cb 0.45 -2.42 0.08 0.00 0.00 0.00 0.00 19.45 17.57 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 -2.28 2.40 0.66 0.00 0.04 -1.26 -5.02 135.00 129.54 3k12 s PRO 93 Ca 0.57 0.92 -0.18 0.00 0.04 0.00 0.00 61.00 62.36 3k12 s PRO 93 Cb -0.46 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.15 3k12 s PRO 93 CO 0.61 -1.47 1.29 0.95 0.04 0.00 0.00 177.00 178.42 3k12 s THR 94 N -3.02 2.01 0.06 1.26 -4.23 -0.88 -4.85 115.64 105.99 3k12 s THR 94 Ca 0.60 0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 61.03 3k12 s THR 94 Cb -0.15 -2.95 -0.00 0.00 1.34 0.00 0.00 72.50 70.73 3k12 s THR 94 CO 0.55 -0.00 0.17 0.00 -0.54 0.00 0.00 174.62 174.80 3k12 s ARG 95 N -3.44 0.74 -0.11 3.99 1.70 -1.26 -0.77 118.95 119.80 3k12 s ARG 95 Ca 0.82 -0.80 -0.04 0.00 -0.47 0.00 0.00 55.73 55.24 3k12 s ARG 95 Cb -0.37 0.30 0.05 0.00 -0.57 0.00 0.00 34.95 34.36 3k12 s ARG 95 CO 0.41 -0.22 0.22 0.00 -1.08 0.00 0.00 175.30 174.63 3k12 s ALA 96 N -3.14 -0.42 -0.09 7.88 0.00 -0.90 -4.96 121.76 120.12 3k12 s ALA 96 Ca -0.01 0.82 0.04 0.00 0.00 0.00 0.00 51.96 52.82 3k12 s ALA 96 Cb 0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 3k12 s ALA 96 CO -0.07 -0.50 -0.23 0.00 0.00 0.00 0.00 175.76 174.96 3k12 s SER 98 N 0.21 0.52 0.19 0.00 1.04 -0.96 -5.01 113.70 109.69 3k12 s SER 98 Ca -0.14 -1.35 -0.21 0.00 0.48 0.00 0.00 55.95 54.72 3k12 s SER 98 Cb -0.17 0.54 -0.08 0.00 0.10 0.00 0.00 66.02 66.41 3k12 s SER 98 CO 0.07 -1.08 0.72 -0.76 0.98 0.00 0.00 173.24 173.18 3k12 s LEU 99 N -3.18 4.44 -0.02 2.42 1.43 -1.26 -1.08 118.68 121.44 3k12 s LEU 99 Ca 0.33 1.46 -0.13 0.00 -1.03 0.00 0.00 54.13 54.76 3k12 s LEU 99 Cb 0.02 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.84 3k12 s LEU 99 CO 0.16 0.11 0.26 0.00 0.23 0.00 0.00 176.35 177.12 3k12 s ALA 100 N -1.37 -0.66 -0.23 4.21 0.00 -0.41 -4.83 121.76 118.46 3k12 s ALA 100 Ca 0.39 0.25 -0.23 0.00 0.00 0.00 0.00 51.96 52.37 3k12 s ALA 100 Cb -0.19 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3k12 s ALA 100 CO 0.22 -0.24 0.77 -2.00 0.00 0.00 0.00 175.76 174.51 3k12 s GLU 101 N -1.22 4.18 0.37 0.00 2.12 -1.26 -4.13 118.70 118.76 3k12 s GLU 101 Ca -0.13 0.84 0.04 0.00 0.36 0.00 0.00 54.97 56.08 3k12 s GLU 101 Cb -0.06 -3.63 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 3k12 s GLU 101 CO 0.03 -0.44 0.53 -0.51 -0.54 0.00 0.00 175.26 174.33 3k12 s LEU 102 N 2.59 3.89 0.17 2.70 1.43 -1.26 -5.03 118.68 123.17 3k12 s LEU 102 Ca 0.33 -0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.30 3k12 s LEU 102 Cb -0.16 -2.90 0.07 0.00 0.03 0.00 0.00 46.19 43.23 3k12 s LEU 102 CO 0.08 -0.50 1.71 0.40 0.23 0.00 0.00 176.35 178.28 3k12 h ILE 103 N 0.75 1.23 -3.79 -0.59 1.08 -1.97 -3.38 117.51 110.84 3k12 h ILE 103 Ca -0.46 -0.75 -0.65 0.00 -0.39 0.00 0.00 64.86 62.60 3k12 h ILE 103 Cb 1.25 0.63 -0.19 0.00 -3.07 0.00 0.00 36.82 35.44 3k12 h ILE 103 CO 0.55 0.29 -0.55 -0.62 -0.69 0.00 0.00 178.15 177.13 3k12 s ASP 104 N -6.13 5.74 0.42 1.72 -1.08 -1.26 -4.98 116.67 111.11 3k12 s ASP 104 Ca -0.13 -0.15 0.28 0.00 -0.52 0.00 0.00 52.55 52.03 3k12 s ASP 104 Cb 0.13 -2.06 1.50 0.00 -1.46 0.00 0.00 42.92 41.03 3k12 s ASP 104 CO 0.80 -0.08 1.84 1.55 0.52 0.00 0.00 175.17 179.80 3k12 h PRO 105 N 8.34 0.00 0.00 4.34 0.13 -2.02 -1.90 132.00 140.89 3k12 h PRO 105 Ca -0.35 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 3k12 h PRO 105 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3k12 h PRO 105 CO 0.57 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.24 3k12 h ARG 106 N 0.00 0.00 -6.42 0.86 3.08 -1.93 -3.45 114.38 106.52 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 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3k12 h ARG 106 CO 0.00 0.10 0.73 -1.58 -1.07 0.00 0.00 179.97 178.15 3k12 s TRP 107 N -3.27 3.12 -0.40 3.04 0.51 -0.72 -4.81 118.94 116.40 3k12 s TRP 107 Ca 0.05 1.02 0.23 0.00 -2.12 0.00 0.00 56.10 55.28 3k12 s TRP 107 Cb 0.06 -3.57 0.03 0.00 -0.81 0.00 0.00 33.47 29.18 3k12 s TRP 107 CO 0.66 -1.98 1.01 0.54 -0.51 0.00 0.00 176.95 176.67 3k12 n ARG 108 N 4.73 0.46 -3.52 4.98 1.74 -1.26 -4.67 116.66 119.11 3k12 n ARG 108 Ca 0.11 0.04 -0.17 0.00 -0.77 0.00 0.00 57.85 57.06 3k12 n ARG 108 Cb 0.44 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 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 -3.30 0.00 0.27 1.55 0.11 -1.26 -1.42 120.40 116.35 3k12 s VAL 109 Ca 0.01 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.12 3k12 s VAL 109 Cb 0.12 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 3k12 s VAL 109 CO 0.80 0.00 0.23 1.21 -3.33 0.00 0.00 175.10 174.01 3k12 n GLU 110 N 0.82 0.33 -3.65 1.54 2.13 -0.18 -4.57 120.64 117.06 3k12 n GLU 110 Ca -0.18 -2.65 -0.02 0.00 0.66 0.00 0.00 57.16 54.97 3k12 n GLU 110 Cb 0.58 2.19 -0.06 0.00 0.27 0.00 0.00 31.44 34.41 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 -3.07 0.00 -0.02 6.31 1.01 -0.41 -0.43 121.20 124.58 3k12 s ILE 112 Ca 0.32 0.00 0.04 0.00 0.00 0.00 0.00 60.65 61.01 3k12 s ILE 112 Cb 0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 3k12 s ILE 112 CO 0.22 0.00 -0.14 -0.69 0.00 0.00 0.00 174.94 174.33 3k12 s VAL 113 N 0.88 1.13 -0.09 2.92 1.01 -0.53 -1.02 120.40 124.70 3k12 s VAL 113 Ca -0.04 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3k12 s VAL 113 Cb -0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3k12 s VAL 113 CO -0.12 0.33 -0.20 -0.69 0.00 0.00 0.00 175.10 174.42 3k12 s VAL 114 N -0.16 2.48 0.29 2.92 1.01 -0.50 -0.87 120.40 125.57 3k12 s VAL 114 Ca 0.02 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3k12 s VAL 114 Cb -0.07 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3k12 s VAL 114 CO 0.00 0.56 0.22 0.00 0.00 0.00 0.00 175.10 175.88 3k12 s ALA 115 N 0.02 1.69 0.29 5.51 0.00 0.28 -0.28 121.76 129.27 3k12 s ALA 115 Ca -0.07 -1.92 0.10 0.00 0.00 0.00 0.00 51.96 50.07 3k12 s ALA 115 Cb -0.15 1.41 -0.06 0.00 0.00 0.00 0.00 23.12 24.33 3k12 s ALA 115 CO 0.05 -0.62 -0.14 0.00 0.00 0.00 0.00 175.76 175.04 3k12 s ALA 116 N -3.67 2.70 -0.09 0.00 0.00 0.10 -0.17 121.76 120.64 3k12 s ALA 116 Ca 0.40 -1.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 3k12 s ALA 116 Cb 0.04 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.07 3k12 s ALA 116 CO 0.22 0.15 0.00 0.50 0.00 0.00 0.00 175.76 176.64 3k12 s ARG 117 N -3.58 0.68 0.00 0.00 3.52 -0.24 -4.70 118.95 114.63 3k12 s ARG 117 Ca 0.30 0.01 0.32 0.00 -0.13 0.00 0.00 55.73 56.22 3k12 s ARG 117 Cb -0.01 -1.18 1.87 0.00 -1.56 0.00 0.00 34.95 34.07 3k12 s ARG 117 CO 0.14 -0.35 2.21 -1.91 -0.81 0.00 0.00 175.30 174.58