#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 2.43 -0.10 3.57 1.01 -1.26 -5.11 121.20 121.74 3k12 s ILE 5 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 3k12 s ILE 5 Cb 0.00 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 3k12 s ILE 5 CO 0.00 0.53 -0.08 -1.61 0.00 0.00 0.00 174.94 173.77 3k12 s GLU 6 N 0.85 3.08 -0.02 2.79 2.02 -1.26 -5.12 118.70 121.04 3k12 s GLU 6 Ca -0.05 -0.59 0.07 0.00 0.02 0.00 0.00 54.97 54.42 3k12 s GLU 6 Cb -0.15 -2.65 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 3k12 s GLU 6 CO -0.01 0.46 -0.24 1.03 0.02 0.00 0.00 175.26 176.52 3k12 s ARG 7 N -0.26 1.98 -0.10 1.61 0.52 -1.26 -5.12 118.95 116.32 3k12 s ARG 7 Ca 0.03 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 3k12 s ARG 7 Cb -0.13 -1.89 0.01 0.00 0.52 0.00 0.00 34.95 33.46 3k12 s ARG 7 CO 0.03 0.50 -0.17 -0.06 0.02 0.00 0.00 175.30 175.61 3k12 s PHE 8 N -0.52 2.09 0.17 -0.53 0.08 -1.26 -5.14 117.98 112.88 3k12 s PHE 8 Ca 0.08 -0.94 0.10 0.00 0.12 0.00 0.00 56.93 56.29 3k12 s PHE 8 Cb -0.10 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 3k12 s PHE 8 CO -0.01 -0.45 -0.16 -1.21 -0.10 0.00 0.00 175.22 173.29 3k12 s GLU 9 N 0.78 1.82 -0.05 0.44 2.02 -1.26 -5.13 118.70 117.31 3k12 s GLU 9 Ca -0.11 -1.33 0.03 0.00 0.02 0.00 0.00 54.97 53.59 3k12 s GLU 9 Cb -0.16 -2.05 0.01 0.00 0.10 0.00 0.00 34.13 32.03 3k12 s GLU 9 CO 0.01 0.43 -0.13 0.08 0.02 0.00 0.00 175.26 175.68 3k12 s VAL 10 N -1.55 1.17 -0.19 2.63 1.01 -1.26 -5.13 120.40 117.08 3k12 s VAL 10 Ca 0.22 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 3k12 s VAL 10 Cb -0.09 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3k12 s VAL 10 CO 0.12 0.36 -0.02 -0.69 0.00 0.00 0.00 175.10 174.87 3k12 s VAL 11 N 0.39 3.81 -0.09 2.92 1.01 -1.26 -5.10 120.40 122.09 3k12 s VAL 11 Ca -0.10 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3k12 s VAL 11 Cb -0.13 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3k12 s VAL 11 CO 0.03 0.44 -0.14 -0.54 0.00 0.00 0.00 175.10 174.89 3k12 s LYS 12 N 0.92 2.90 0.07 2.72 -0.14 -1.26 -5.13 119.74 119.82 3k12 s LYS 12 Ca 0.00 -0.70 0.08 0.00 -1.36 0.00 0.00 55.97 53.99 3k12 s LYS 12 Cb -0.14 -2.48 -0.03 0.00 -1.68 0.00 0.00 37.83 33.49 3k12 s LYS 12 CO 0.02 0.44 -0.20 1.03 -0.76 0.00 0.00 175.35 175.87 3k12 s ARG 13 N -0.24 1.25 -0.04 1.68 0.52 -1.26 -5.13 118.95 115.73 3k12 s ARG 13 Ca 0.01 -1.03 0.01 0.00 -0.52 0.00 0.00 55.73 54.21 3k12 s ARG 13 Cb -0.13 -1.42 0.02 0.00 0.52 0.00 0.00 34.95 33.93 3k12 s ARG 13 CO 0.03 0.35 -0.06 0.50 0.02 0.00 0.00 175.30 176.14 3k12 s ARG 14 N -1.49 0.85 -0.42 3.54 3.52 -1.26 -5.12 118.95 118.58 3k12 s ARG 14 Ca 0.07 -0.16 -0.27 0.00 -0.13 0.00 0.00 55.73 55.23 3k12 s ARG 14 Cb -0.09 -0.83 0.02 0.00 -1.56 0.00 0.00 34.95 32.49 3k12 s ARG 14 CO 0.03 -0.03 1.03 0.00 -0.81 0.00 0.00 175.30 175.52 3k12 s ALA 15 N 0.69 3.30 -0.27 6.12 0.00 -1.26 -5.18 121.76 125.16 3k12 s ALA 15 Ca -0.10 -0.45 0.21 0.00 0.00 0.00 0.00 51.96 51.62 3k12 s ALA 15 Cb -0.13 -3.71 0.08 0.00 0.00 0.00 0.00 23.12 19.36 3k12 s ALA 15 CO 0.00 -1.91 1.20 0.93 0.00 0.00 0.00 175.76 175.98 3k12 h GLU 16 N 8.80 0.00 -2.29 0.00 4.39 -1.97 -3.39 114.58 120.11 3k12 h GLU 16 Ca -0.23 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.44 3k12 h GLU 16 Cb 1.07 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.48 3k12 h GLU 16 CO 1.05 0.07 -0.16 0.00 -1.16 0.00 0.00 179.01 178.81 3k12 s ALA 18 N -3.24 -1.52 -0.19 3.43 0.00 -0.17 -0.91 121.76 119.16 3k12 s ALA 18 Ca 0.02 1.98 -0.07 0.00 0.00 0.00 0.00 51.96 53.89 3k12 s ALA 18 Cb 0.08 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3k12 s ALA 18 CO 0.76 -0.47 0.06 -0.51 0.00 0.00 0.00 175.76 175.59 3k12 s LEU 19 N 1.88 3.74 -0.31 0.00 1.43 -1.26 -0.72 118.68 123.44 3k12 s LEU 19 Ca -0.08 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3k12 s LEU 19 Cb -0.08 -1.95 0.09 0.00 0.03 0.00 0.00 46.19 44.28 3k12 s LEU 19 CO -0.16 0.15 0.05 -2.28 0.23 0.00 0.00 176.35 174.34 3k12 s HIS 20 N 0.49 2.56 0.00 0.29 2.46 -0.09 -4.99 115.29 116.01 3k12 s HIS 20 Ca 0.03 -2.19 0.00 0.00 0.47 0.00 0.00 55.06 53.37 3k12 s HIS 20 Cb -0.13 -2.12 0.00 0.00 -0.13 0.00 0.00 32.58 30.20 3k12 s HIS 20 CO 0.01 -0.88 0.00 0.41 -2.47 0.00 0.00 174.74 171.81 3k12 n GLY 21 N 4.60 2.54 1.58 1.59 0.00 -1.26 -1.70 105.19 112.54 3k12 n GLY 21 Ca -0.02 0.35 0.08 0.00 0.00 0.00 0.00 46.02 46.43 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 7.86 5.03 -4.48 1.61 3.02 -1.26 -4.91 115.26 122.13 3k12 n ASN 22 Ca 0.00 -2.77 -0.33 0.00 -0.03 0.00 0.00 54.58 51.45 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 -2.44 3.38 -0.20 3.41 2.01 -0.69 -0.84 115.64 120.27 3k12 s THR 23 Ca 0.50 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.89 3k12 s THR 23 Cb 0.37 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 3k12 s THR 23 CO 0.17 0.56 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.92 3k12 s VAL 24 N -0.29 3.43 -0.22 3.82 1.01 0.13 -0.91 120.40 127.38 3k12 s VAL 24 Ca 0.03 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 3k12 s VAL 24 Cb -0.13 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3k12 s VAL 24 CO 0.03 0.44 0.03 -0.31 0.00 0.00 0.00 175.10 175.29 3k12 s TYR 25 N 1.19 3.07 -0.09 5.22 2.02 0.10 -0.72 117.35 128.13 3k12 s TYR 25 Ca 0.02 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.28 3k12 s TYR 25 Cb -0.14 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.25 3k12 s TYR 25 CO -0.01 -0.26 -0.01 0.42 -1.57 0.00 0.00 175.55 174.12 3k12 s ILE 26 N 1.18 4.22 0.99 2.71 1.01 -0.53 -1.00 121.20 129.78 3k12 s ILE 26 Ca 0.03 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.29 3k12 s ILE 26 Cb -0.14 -2.77 0.18 0.00 0.01 0.00 0.00 42.46 39.74 3k12 s ILE 26 CO 0.02 0.59 1.08 -0.83 0.00 0.00 0.00 174.94 175.81 3k12 s GLY 27 N -0.77 1.59 0.13 6.18 0.00 -0.09 -3.88 107.32 110.49 3k12 s GLY 27 Ca 0.12 -0.09 -0.35 0.00 0.00 0.00 0.00 44.72 44.40 3k12 s GLY 27 CO 0.02 0.48 1.37 0.61 0.00 0.00 0.00 173.10 175.57 3k12 n GLY 28 N -0.53 0.57 3.35 0.20 0.00 -1.26 -4.70 105.19 102.82 3k12 n GLY 28 Ca 0.06 0.64 -0.33 0.00 0.00 0.00 0.00 46.02 46.39 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 0.33 3.25 0.27 1.61 -1.52 -1.26 -5.03 119.66 117.31 3k12 s GLN 29 Ca 0.79 -0.73 0.04 0.00 -1.95 0.00 0.00 55.36 53.52 3k12 s GLN 29 Cb -0.84 -2.54 -0.06 0.00 -0.22 0.00 0.00 33.01 29.35 3k12 s GLN 29 CO 0.46 0.24 0.00 0.14 -0.25 0.00 0.00 175.29 175.88 3k12 s VAL 30 N 0.27 1.21 0.28 1.09 -7.23 -1.26 -4.30 120.40 110.46 3k12 s VAL 30 Ca -0.11 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 57.72 3k12 s VAL 30 Cb -0.16 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.18 3k12 s VAL 30 CO 0.06 -0.22 1.29 0.00 -0.31 0.00 0.00 175.10 175.92 3k12 s ALA 31 N -3.29 3.51 0.31 1.32 0.00 -1.26 -4.73 121.76 117.62 3k12 s ALA 31 Ca 0.31 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.49 3k12 s ALA 31 Cb 0.06 -3.47 0.52 0.00 0.00 0.00 0.00 23.12 20.24 3k12 s ALA 31 CO 0.12 -0.56 1.81 -0.44 0.00 0.00 0.00 175.76 176.69 3k12 h ASP 32 N 4.15 0.48 -3.63 0.00 3.32 -1.93 -3.37 116.42 115.44 3k12 h ASP 32 Ca -0.47 -0.12 -0.65 0.00 0.02 0.00 0.00 57.03 55.81 3k12 h ASP 32 Cb 1.22 -0.13 -0.40 0.00 0.22 0.00 0.00 39.33 40.25 3k12 h ASP 32 CO 0.70 0.63 -0.74 -0.62 -1.72 0.00 0.00 179.24 177.50 3k12 s ASP 33 N -6.77 4.60 -0.00 6.45 2.15 -1.26 -4.99 116.67 116.84 3k12 s ASP 33 Ca -0.07 -1.97 0.04 0.00 0.43 0.00 0.00 52.55 50.97 3k12 s ASP 33 Cb 0.15 -1.50 0.11 0.00 -0.30 0.00 0.00 42.92 41.38 3k12 s ASP 33 CO 0.78 -0.36 1.07 -0.81 -0.17 0.00 0.00 175.17 175.68 3k12 n PRO 34 N 4.37 1.29 0.22 4.34 -0.04 -1.26 -3.44 135.00 140.48 3k12 n PRO 34 Ca 0.01 -0.43 0.14 0.00 -0.04 0.00 0.00 63.50 63.17 3k12 n PRO 34 Cb 0.42 -1.11 0.39 0.00 -0.04 0.00 0.00 33.50 33.16 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 0.70 0.00 -4.26 3.54 4.64 -1.94 -3.44 113.55 112.79 3k12 h SER 35 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3k12 h SER 35 Cb 0.18 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.42 3k12 h SER 35 CO 0.00 0.00 0.31 -0.83 -0.87 0.00 0.00 176.83 175.45 3k12 s GLY 36 N -4.10 1.86 1.18 -0.77 0.00 -1.22 -5.06 107.32 99.20 3k12 s GLY 36 Ca 0.05 0.50 -0.19 0.00 0.00 0.00 0.00 44.72 45.07 3k12 s GLY 36 CO 0.60 0.87 1.16 0.51 0.00 0.00 0.00 173.10 176.25 3k12 s ASP 37 N -2.85 1.14 0.23 1.64 1.47 -1.26 -4.69 116.67 112.35 3k12 s ASP 37 Ca 0.66 0.48 -0.06 0.00 1.18 0.00 0.00 52.55 54.80 3k12 s ASP 37 Cb -0.21 -0.61 0.34 0.00 -0.34 0.00 0.00 42.92 42.10 3k12 s ASP 37 CO 0.52 -3.98 1.81 -0.29 0.68 0.00 0.00 175.17 173.92 3k12 h ILE 38 N -2.48 0.94 -0.46 2.11 6.09 -1.94 -0.93 117.51 120.83 3k12 h ILE 38 Ca -0.43 -0.27 0.01 0.00 -1.37 0.00 0.00 64.86 62.80 3k12 h ILE 38 Cb 1.27 0.09 -0.03 0.00 0.47 0.00 0.00 36.82 38.63 3k12 h ILE 38 CO 0.31 0.14 0.29 1.56 -3.07 0.00 0.00 178.15 177.39 3k12 h GLN 39 N 0.78 0.58 -0.43 2.19 7.50 -1.93 0.85 115.11 124.64 3k12 h GLN 39 Ca 0.36 -0.03 -0.05 0.00 0.50 0.00 0.00 58.65 59.43 3k12 h GLN 39 Cb 0.29 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.67 3k12 h GLN 39 CO -0.22 0.38 0.06 0.22 -1.50 0.00 0.00 178.83 177.77 3k12 h ASP 40 N 0.59 0.70 -0.57 1.46 3.58 -1.75 -1.55 116.42 118.88 3k12 h ASP 40 Ca 0.17 -0.27 -0.10 0.00 0.42 0.00 0.00 57.03 57.26 3k12 h ASP 40 Cb -0.04 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 3k12 h ASP 40 CO -0.05 0.79 -0.02 1.56 -2.88 0.00 0.00 179.24 178.64 3k12 h GLN 41 N 0.58 1.01 -0.40 0.28 4.20 -1.01 -0.87 115.11 118.90 3k12 h GLN 41 Ca 0.13 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.51 3k12 h GLN 41 Cb 0.40 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3k12 h GLN 41 CO 0.01 1.01 0.26 1.15 -0.67 0.00 0.00 178.83 180.59 3k12 h THR 42 N 0.90 1.12 -0.52 -0.54 2.02 -0.73 -1.54 112.91 113.61 3k12 h THR 42 Ca 0.16 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3k12 h THR 42 Cb 0.57 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 3k12 h THR 42 CO 0.03 0.12 0.33 0.03 0.37 0.00 0.00 175.52 176.40 3k12 h ARG 43 N 0.54 0.69 -0.30 6.66 3.08 -1.04 -1.21 114.38 122.81 3k12 h ARG 43 Ca 0.15 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.17 3k12 h ARG 43 Cb -0.03 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3k12 h ARG 43 CO -0.03 0.48 0.13 1.96 -1.07 0.00 0.00 179.97 181.44 3k12 h GLN 44 N 0.70 0.27 -0.22 0.04 4.20 -0.87 0.11 115.11 119.34 3k12 h GLN 44 Ca 0.19 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 3k12 h GLN 44 Cb -0.05 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3k12 h GLN 44 CO -0.04 0.18 0.12 0.82 -0.67 0.00 0.00 178.83 179.24 3k12 h ILE 45 N 0.28 1.12 -0.48 2.54 2.04 -1.11 -0.68 117.51 121.22 3k12 h ILE 45 Ca 0.13 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 3k12 h ILE 45 Cb 0.06 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3k12 h ILE 45 CO -0.10 0.11 0.16 -0.07 0.00 0.00 0.00 178.15 178.25 3k12 h LEU 46 N 0.25 0.64 -0.55 1.44 3.38 -0.98 0.38 115.31 119.86 3k12 h LEU 46 Ca 0.08 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3k12 h LEU 46 Cb 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3k12 h LEU 46 CO -0.01 0.60 0.04 -0.33 0.09 0.00 0.00 178.44 178.83 3k12 h GLU 47 N 0.69 0.94 -0.82 1.13 5.08 -0.56 -0.92 114.58 120.11 3k12 h GLU 47 Ca 0.16 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3k12 h GLU 47 Cb 0.19 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3k12 h GLU 47 CO -0.01 0.93 0.36 -0.91 -1.00 0.00 0.00 179.01 178.38 3k12 h ASN 48 N 0.82 1.11 -0.71 1.42 2.35 -0.50 -1.84 115.58 118.22 3k12 h ASN 48 Ca 0.16 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3k12 h ASN 48 Cb 0.48 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 3k12 h ASN 48 CO 0.02 0.96 0.46 0.40 -1.65 0.00 0.00 177.43 177.62 3k12 h ILE 49 N 1.18 1.16 -0.39 2.81 2.04 -0.71 -0.40 117.51 123.20 3k12 h ILE 49 Ca 0.28 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.90 3k12 h ILE 49 Cb 0.18 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.32 3k12 h ILE 49 CO -0.03 0.17 -0.14 0.44 0.00 0.00 0.00 178.15 178.59 3k12 h ASP 50 N 0.94 -0.50 -0.25 1.72 3.32 -0.68 0.77 116.42 121.74 3k12 h ASP 50 Ca 0.27 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 3k12 h ASP 50 Cb -0.08 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3k12 h ASP 50 CO -0.07 -0.18 0.11 -0.09 -1.72 0.00 0.00 179.24 177.29 3k12 h ARG 51 N -0.06 0.38 -0.33 3.56 2.43 -0.89 0.01 114.38 119.47 3k12 h ARG 51 Ca 0.19 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3k12 h ARG 51 Cb 0.35 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3k12 h ARG 51 CO -0.44 0.40 0.18 -0.07 -1.51 0.00 0.00 179.97 178.54 3k12 h LEU 52 N 0.26 0.41 -0.39 3.80 3.38 -0.79 -1.85 115.31 120.13 3k12 h LEU 52 Ca 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3k12 h LEU 52 Cb 0.17 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3k12 h LEU 52 CO -0.01 0.37 0.17 -0.07 0.09 0.00 0.00 178.44 179.00 3k12 h LEU 53 N 0.41 0.52 -1.08 1.67 3.38 -0.73 -2.58 115.31 116.91 3k12 h LEU 53 Ca 0.12 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.06 3k12 h LEU 53 Cb 0.05 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 3k12 h LEU 53 CO -0.02 0.53 0.62 -0.61 0.09 0.00 0.00 178.44 179.05 3k12 h GLN 54 N 0.48 0.89 0.00 1.13 4.15 -0.82 -0.73 115.11 120.22 3k12 h GLN 54 Ca 0.13 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3k12 h GLN 54 Cb 0.16 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.65 3k12 h GLN 54 CO -0.01 0.59 0.00 0.66 -1.93 0.00 0.00 178.83 178.14 3k12 h SER 55 N 0.92 0.00 -0.28 -0.69 4.64 -0.92 -2.47 113.55 114.75 3k12 h SER 55 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3k12 h SER 55 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3k12 h SER 55 CO -0.25 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.04 3k12 n VAL 56 N -3.07 1.27 -0.93 0.95 0.24 -0.66 -4.98 118.33 111.15 3k12 n VAL 56 Ca -0.01 -1.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.09 3k12 n VAL 56 Cb 0.21 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 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 0.55 3.07 7.63 0.00 -0.93 -4.99 105.19 110.69 3k12 n GLY 57 Ca 0.12 -0.84 -0.22 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 1.57 2.53 -3.39 1.61 2.88 -0.37 -4.88 113.62 113.57 3k12 n SER 58 Ca 0.00 -2.58 -0.07 0.00 -1.33 0.00 0.00 58.87 54.89 3k12 n SER 58 Cb 0.07 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 -3.57 -0.11 0.55 -3.46 1.47 -1.26 -3.34 116.67 106.95 3k12 s ASP 59 Ca 0.21 -0.85 0.42 0.00 1.18 0.00 0.00 52.55 53.51 3k12 s ASP 59 Cb -0.02 0.76 1.62 0.00 -0.34 0.00 0.00 42.92 44.94 3k12 s ASP 59 CO 0.14 -1.46 1.71 -0.09 0.68 0.00 0.00 175.17 176.15 3k12 h ARG 60 N 2.00 0.00 -0.34 2.11 2.43 -1.92 -0.82 114.38 117.84 3k12 h ARG 60 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 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 0.32 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.19 3k12 n GLY 61 N -1.83 0.96 0.47 2.80 0.00 -1.26 -4.17 105.19 102.17 3k12 n GLY 61 Ca 0.33 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.79 2.02 -3.05 1.61 1.13 -0.31 -4.93 117.38 114.65 3k12 n GLN 62 Ca 0.17 -2.73 -0.39 0.00 -1.94 0.00 0.00 57.00 52.10 3k12 n GLN 62 Cb 0.41 -1.67 -0.06 0.00 0.11 0.00 0.00 30.24 29.04 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 -2.88 4.56 -0.24 5.09 1.01 -1.26 -0.57 120.40 126.11 3k12 s VAL 63 Ca 0.37 1.57 -0.09 0.00 0.00 0.00 0.00 61.98 63.83 3k12 s VAL 63 Cb 0.31 -4.08 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 3k12 s VAL 63 CO 0.05 0.48 -0.29 0.18 0.00 0.00 0.00 175.10 175.52 3k12 n LEU 64 N 2.00 2.04 -3.87 3.92 4.77 0.16 -4.28 117.00 121.74 3k12 n LEU 64 Ca -0.06 0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 3k12 n LEU 64 Cb 0.50 -0.74 -0.12 0.00 -2.33 0.00 0.00 43.42 40.72 3k12 n LEU 64 CO 0.45 0.60 -0.26 -0.94 -1.33 0.00 0.00 177.39 175.92 3k12 s SER 65 N -6.97 -0.01 -0.08 -1.43 1.04 -0.66 -1.47 113.70 104.11 3k12 s SER 65 Ca -0.34 -0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.06 3k12 s SER 65 Cb 0.12 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.44 3k12 s SER 65 CO 0.46 -0.16 -0.05 -0.69 0.98 0.00 0.00 173.24 173.78 3k12 s VAL 66 N -0.57 0.72 -0.24 5.02 1.01 -0.32 -1.16 120.40 124.86 3k12 s VAL 66 Ca -0.06 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 3k12 s VAL 66 Cb -0.04 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 3k12 s VAL 66 CO 0.00 0.30 0.45 -0.60 0.00 0.00 0.00 175.10 175.26 3k12 s ARG 67 N 1.58 4.11 -0.22 2.72 6.06 -0.30 -1.87 118.95 131.03 3k12 s ARG 67 Ca 0.01 0.25 -0.04 0.00 -2.50 0.00 0.00 55.73 53.44 3k12 s ARG 67 Cb -0.13 -3.61 -0.01 0.00 0.06 0.00 0.00 34.95 31.27 3k12 s ARG 67 CO -0.05 -0.22 -0.04 0.42 -2.50 0.00 0.00 175.30 172.91 3k12 s ILE 68 N 1.87 3.38 -0.32 4.11 1.01 0.28 -1.10 121.20 130.42 3k12 s ILE 68 Ca 0.20 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.26 3k12 s ILE 68 Cb -0.15 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.78 3k12 s ILE 68 CO 0.09 0.42 0.15 -0.76 0.00 0.00 0.00 174.94 174.84 3k12 s LEU 69 N 1.47 4.18 -0.17 2.97 1.43 0.33 -2.05 118.68 126.84 3k12 s LEU 69 Ca 0.06 -0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 3k12 s LEU 69 Cb -0.14 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3k12 s LEU 69 CO -0.03 -0.23 -0.00 -0.22 0.23 0.00 0.00 176.35 176.09 3k12 s LEU 70 N 1.58 3.42 0.21 1.79 2.96 -0.26 -0.98 118.68 127.39 3k12 s LEU 70 Ca 0.04 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3k12 s LEU 70 Cb -0.17 -1.84 0.15 0.00 0.50 0.00 0.00 46.19 44.83 3k12 s LEU 70 CO 0.06 0.16 1.50 0.00 -1.32 0.00 0.00 176.35 176.75 3k12 h ALA 71 N 6.77 0.73 -3.41 5.97 0.00 -1.35 -0.94 119.26 127.03 3k12 h ALA 71 Ca -0.33 -0.58 -0.36 0.00 0.00 0.00 0.00 54.91 53.64 3k12 h ALA 71 Cb 1.18 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 18.54 3k12 h ALA 71 CO 0.65 0.75 -0.75 -1.01 0.00 0.00 0.00 179.25 178.90 3k12 s HIS 72 N -3.68 0.26 0.30 0.00 3.76 -1.26 -4.68 115.29 109.98 3k12 s HIS 72 Ca -0.05 0.07 0.06 0.00 -0.15 0.00 0.00 55.06 54.99 3k12 s HIS 72 Cb 0.11 -0.47 0.76 0.00 1.11 0.00 0.00 32.58 34.09 3k12 s HIS 72 CO 0.82 -0.17 1.77 -0.09 -0.85 0.00 0.00 174.74 176.21 3k12 h ARG 73 N 7.78 0.72 0.00 1.40 2.43 -1.99 -0.59 114.38 124.12 3k12 h ARG 73 Ca -0.31 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3k12 h ARG 73 Cb 1.13 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3k12 h ARG 73 CO 0.35 0.47 -0.01 0.93 -1.51 0.00 0.00 179.97 180.21 3k12 h GLU 74 N 0.74 0.00 -0.01 0.20 3.07 -2.01 -1.97 114.58 114.60 3k12 h GLU 74 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 3k12 h GLU 74 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3k12 h GLU 74 CO -0.40 0.01 -0.10 -0.25 -1.40 0.00 0.00 179.01 176.87 3k12 n ASP 75 N -3.14 1.04 -0.21 1.42 8.00 -0.23 -4.33 116.55 119.11 3k12 n ASP 75 Ca -0.02 -1.10 -0.06 0.00 0.71 0.00 0.00 54.79 54.32 3k12 n ASP 75 Cb 0.13 0.03 0.04 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 1.47 0.76 -0.54 1.24 3.20 -1.45 -1.37 116.97 120.28 3k12 h TYR 76 Ca 0.00 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3k12 h TYR 76 Cb 0.43 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3k12 h TYR 76 CO 0.00 0.49 0.34 0.00 -1.64 0.00 0.00 178.16 177.35 3k12 h ALA 77 N 1.21 0.70 -0.48 1.82 0.00 -1.81 -1.93 119.26 118.76 3k12 h ALA 77 Ca 0.22 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3k12 h ALA 77 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3k12 h ALA 77 CO -0.05 0.08 -0.07 0.78 0.00 0.00 0.00 179.25 179.99 3k12 h GLY 78 N 0.69 0.92 0.58 0.00 0.00 -1.78 -0.46 103.07 103.03 3k12 h GLY 78 Ca 0.21 -0.68 0.03 0.00 0.00 0.00 0.00 47.33 46.90 3k12 h GLY 78 CO -0.07 0.62 -0.11 -2.00 0.00 0.00 0.00 176.54 174.98 3k12 h LEU 79 N 0.77 -0.34 -1.08 3.11 5.85 -0.97 -2.80 115.31 119.86 3k12 h LEU 79 Ca 0.14 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 3k12 h LEU 79 Cb 0.57 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3k12 h LEU 79 CO 0.03 -0.15 -0.43 0.78 -0.34 0.00 0.00 178.44 178.34 3k12 h ASN 80 N -0.13 0.00 -0.53 1.25 2.35 -1.11 -0.72 115.58 116.68 3k12 h ASN 80 Ca 0.08 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.92 3k12 h ASN 80 Cb 0.25 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.54 3k12 h ASN 80 CO -0.19 0.43 0.12 -0.61 -1.65 0.00 0.00 177.43 175.53 3k12 h GLN 81 N 0.00 0.26 0.04 0.81 4.15 -0.81 0.14 115.11 119.70 3k12 h GLN 81 Ca -0.00 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 3k12 h GLN 81 Cb 0.82 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.46 3k12 h GLN 81 CO 0.06 0.17 -0.31 0.28 -1.93 0.00 0.00 178.83 177.09 3k12 h VAL 82 N 0.26 1.67 -0.63 2.39 2.07 -1.41 -3.35 116.25 117.24 3k12 h VAL 82 Ca 0.27 -2.40 0.11 0.00 0.82 0.00 0.00 66.70 65.50 3k12 h VAL 82 Cb 0.37 3.29 -0.08 0.00 -1.52 0.00 0.00 31.29 33.34 3k12 h VAL 82 CO -0.34 0.63 0.21 -0.25 0.02 0.00 0.00 177.57 177.85 3k12 h TRP 83 N -0.80 0.36 0.00 1.57 2.91 -0.94 -2.35 115.95 116.70 3k12 h TRP 83 Ca -0.06 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.99 3k12 h TRP 83 Cb 1.21 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.80 3k12 h TRP 83 CO 0.25 0.06 0.00 -0.44 -1.03 0.00 0.00 178.44 177.27 3k12 h ASP 84 N 0.37 0.00 -0.16 2.65 3.32 -0.87 -2.04 116.42 119.70 3k12 h ASP 84 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3k12 h ASP 84 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3k12 h ASP 84 CO -0.35 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.17 3k12 n GLN 85 N -2.43 2.26 0.00 3.56 6.02 -0.89 -4.73 117.38 121.18 3k12 n GLN 85 Ca 0.02 -2.00 -0.21 0.00 -0.01 0.00 0.00 57.00 54.79 3k12 n GLN 85 Cb 0.24 -1.46 -0.14 0.00 1.02 0.00 0.00 30.24 29.91 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 1.33 1.26 -3.55 1.08 -0.00 -0.77 -4.97 117.44 111.83 3k12 n TRP 86 Ca 0.15 0.28 -0.33 0.00 -0.00 0.00 0.00 57.50 57.60 3k12 n TRP 86 Cb 0.58 -1.16 -0.05 0.00 -0.00 0.00 0.00 31.31 30.67 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 -2.55 3.51 0.68 5.87 0.08 -1.26 -5.05 117.98 119.26 3k12 s PHE 87 Ca -0.23 0.75 -0.17 0.00 0.12 0.00 0.00 56.93 57.41 3k12 s PHE 87 Cb 0.07 -2.15 -0.01 0.00 -0.57 0.00 0.00 43.02 40.36 3k12 s PHE 87 CO 0.76 0.43 1.05 -2.30 -0.10 0.00 0.00 175.22 175.06 3k12 n PRO 88 N 0.39 0.72 -1.67 0.24 -0.02 -1.26 -4.86 135.00 128.54 3k12 n PRO 88 Ca -0.04 0.30 -0.46 0.00 -2.02 0.00 0.00 63.50 61.28 3k12 n PRO 88 Cb 0.52 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.74 2.21 -0.98 -0.52 2.13 -1.26 -1.39 120.64 119.09 3k12 n GLU 89 Ca 0.14 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.76 3k12 n GLU 89 Cb 0.49 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.62 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 3.46 0.58 0.10 8.31 0.00 -1.26 -4.88 105.19 111.50 3k12 n GLY 90 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.31 1.48 -1.80 1.61 1.74 -0.49 -5.05 116.66 111.84 3k12 n ARG 91 Ca 0.00 -1.72 -0.39 0.00 -0.77 0.00 0.00 57.85 54.97 3k12 n ARG 91 Cb 0.04 -1.06 0.04 0.00 -1.02 0.00 0.00 32.46 30.46 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 -1.46 2.89 0.83 7.54 0.00 -1.26 -4.72 121.76 125.59 3k12 s ALA 92 Ca 0.13 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.30 3k12 s ALA 92 Cb 0.11 -3.57 0.11 0.00 0.00 0.00 0.00 23.12 19.77 3k12 s ALA 92 CO 0.01 -1.32 1.19 -1.25 0.00 0.00 0.00 175.76 174.39 3k12 s PRO 93 N -2.83 1.68 0.68 0.00 0.04 -1.26 -5.01 135.00 128.30 3k12 s PRO 93 Ca 0.70 -0.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.53 3k12 s PRO 93 Cb -0.41 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.20 3k12 s PRO 93 CO 0.49 -1.75 1.14 0.95 0.04 0.00 0.00 177.00 177.87 3k12 s THR 94 N -3.61 2.92 -0.05 1.26 -4.23 -0.54 -4.91 115.64 106.47 3k12 s THR 94 Ca 0.65 0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 61.52 3k12 s THR 94 Cb -0.09 -2.96 0.01 0.00 1.34 0.00 0.00 72.50 70.80 3k12 s THR 94 CO 0.49 -0.26 0.18 -0.60 -0.54 0.00 0.00 174.62 173.90 3k12 s ARG 95 N -4.02 0.31 -0.10 3.99 3.52 -1.26 -1.17 118.95 120.21 3k12 s ARG 95 Ca 0.69 0.08 -0.03 0.00 -0.13 0.00 0.00 55.73 56.34 3k12 s ARG 95 Cb -0.23 0.14 0.05 0.00 -1.56 0.00 0.00 34.95 33.35 3k12 s ARG 95 CO 0.43 -0.06 0.14 0.00 -0.81 0.00 0.00 175.30 175.00 3k12 s ALA 96 N -0.34 -0.01 -0.10 6.12 0.00 -0.78 -4.98 121.76 121.68 3k12 s ALA 96 Ca -0.04 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.27 3k12 s ALA 96 Cb -0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3k12 s ALA 96 CO 0.01 -0.72 -0.21 0.00 0.00 0.00 0.00 175.76 174.84 3k12 s SER 98 N 0.25 0.78 0.06 0.00 1.04 -0.87 -4.99 113.70 109.97 3k12 s SER 98 Ca -0.14 -1.47 -0.21 0.00 0.48 0.00 0.00 55.95 54.61 3k12 s SER 98 Cb -0.17 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.42 3k12 s SER 98 CO 0.07 -1.06 0.61 -0.76 0.98 0.00 0.00 173.24 173.08 3k12 s LEU 99 N -3.23 4.50 -0.02 2.42 1.43 -1.26 -1.11 118.68 121.42 3k12 s LEU 99 Ca 0.35 1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 54.57 3k12 s LEU 99 Cb 0.03 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 43.31 3k12 s LEU 99 CO 0.19 0.20 0.37 0.00 0.23 0.00 0.00 176.35 177.33 3k12 s ALA 100 N -0.79 -0.93 -0.14 4.21 0.00 -0.36 -4.85 121.76 118.90 3k12 s ALA 100 Ca 0.31 0.48 -0.27 0.00 0.00 0.00 0.00 51.96 52.48 3k12 s ALA 100 Cb -0.20 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3k12 s ALA 100 CO 0.19 -0.28 0.91 -2.00 0.00 0.00 0.00 175.76 174.59 3k12 s GLU 101 N -1.29 4.35 0.37 0.00 2.12 -1.26 -3.98 118.70 119.02 3k12 s GLU 101 Ca -0.13 1.19 0.04 0.00 0.36 0.00 0.00 54.97 56.43 3k12 s GLU 101 Cb -0.04 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 3k12 s GLU 101 CO 0.05 -0.32 0.53 -0.51 -0.54 0.00 0.00 175.26 174.47 3k12 s LEU 102 N 2.09 3.89 0.17 2.70 1.43 -1.26 -5.03 118.68 122.67 3k12 s LEU 102 Ca 0.43 0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.44 3k12 s LEU 102 Cb -0.17 -2.94 0.07 0.00 0.03 0.00 0.00 46.19 43.18 3k12 s LEU 102 CO 0.15 -0.48 1.75 0.40 0.23 0.00 0.00 176.35 178.40 3k12 h ILE 103 N 0.74 1.21 -3.58 -0.59 1.08 -1.97 -3.39 117.51 111.01 3k12 h ILE 103 Ca -0.47 -0.59 -0.62 0.00 -0.39 0.00 0.00 64.86 62.79 3k12 h ILE 103 Cb 1.25 0.53 -0.14 0.00 -3.07 0.00 0.00 36.82 35.39 3k12 h ILE 103 CO 0.56 0.24 -0.50 -0.62 -0.69 0.00 0.00 178.15 177.14 3k12 s ASP 104 N -5.98 6.12 0.25 1.72 -1.08 -1.26 -4.98 116.67 111.46 3k12 s ASP 104 Ca -0.13 0.12 0.20 0.00 -0.52 0.00 0.00 52.55 52.22 3k12 s ASP 104 Cb 0.13 -2.11 0.96 0.00 -1.46 0.00 0.00 42.92 40.44 3k12 s ASP 104 CO 0.78 0.06 1.60 -0.81 0.52 0.00 0.00 175.17 177.32 3k12 n PRO 105 N 4.29 0.14 0.09 4.34 -0.04 -1.26 -1.98 135.00 140.58 3k12 n PRO 105 Ca -0.15 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 3k12 n PRO 105 Cb 0.52 -1.86 0.28 0.00 -0.04 0.00 0.00 33.50 32.40 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 -6.47 0.54 3.08 -1.93 -3.45 114.38 106.15 3k12 h ARG 106 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3k12 h ARG 106 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3k12 h ARG 106 CO 0.00 0.00 0.47 -1.58 -1.07 0.00 0.00 179.97 177.79 3k12 s TRP 107 N -3.14 3.56 -0.57 3.04 0.51 -0.84 -4.76 118.94 116.74 3k12 s TRP 107 Ca 0.08 1.51 0.22 0.00 -2.12 0.00 0.00 56.10 55.80 3k12 s TRP 107 Cb 0.12 -3.27 -0.05 0.00 -0.81 0.00 0.00 33.47 29.47 3k12 s TRP 107 CO 0.66 -0.64 0.93 0.54 -0.51 0.00 0.00 176.95 177.93 3k12 n ARG 108 N 3.78 0.31 -3.55 4.98 1.74 -1.26 -4.71 116.66 117.95 3k12 n ARG 108 Ca 0.07 -0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 56.97 3k12 n ARG 108 Cb 0.48 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 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 -3.22 0.00 0.05 1.55 0.11 -1.26 -1.36 120.40 116.27 3k12 s VAL 109 Ca 0.02 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 3k12 s VAL 109 Cb 0.14 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.99 3k12 s VAL 109 CO 0.83 0.00 0.04 1.21 -3.33 0.00 0.00 175.10 173.84 3k12 n GLU 110 N 0.99 0.20 -3.36 1.54 2.13 -0.15 -4.54 120.64 117.45 3k12 n GLU 110 Ca -0.16 -0.47 0.02 0.00 0.66 0.00 0.00 57.16 57.21 3k12 n GLU 110 Cb 0.57 0.36 -0.04 0.00 0.27 0.00 0.00 31.44 32.60 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 -2.11 -0.47 -0.05 6.31 1.01 -0.26 -0.51 121.20 125.11 3k12 s ILE 112 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.74 3k12 s ILE 112 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 3k12 s ILE 112 CO 0.04 0.00 -0.16 -0.69 0.00 0.00 0.00 174.94 174.12 3k12 s VAL 113 N 2.48 2.88 -0.08 2.92 1.01 -1.25 -1.15 120.40 127.20 3k12 s VAL 113 Ca -0.02 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.22 3k12 s VAL 113 Cb -0.06 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 3k12 s VAL 113 CO -0.17 0.58 -0.24 -0.69 0.00 0.00 0.00 175.10 174.58 3k12 s VAL 114 N -0.60 2.04 0.28 2.92 1.01 -0.31 -1.45 120.40 124.29 3k12 s VAL 114 Ca 0.09 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.07 3k12 s VAL 114 Cb -0.11 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3k12 s VAL 114 CO 0.01 0.56 0.15 0.00 0.00 0.00 0.00 175.10 175.82 3k12 s ALA 115 N 0.18 1.76 0.21 5.51 0.00 0.10 -0.66 121.76 128.86 3k12 s ALA 115 Ca -0.14 -1.79 0.08 0.00 0.00 0.00 0.00 51.96 50.11 3k12 s ALA 115 Cb -0.17 1.20 -0.04 0.00 0.00 0.00 0.00 23.12 24.12 3k12 s ALA 115 CO 0.07 -0.52 0.05 0.00 0.00 0.00 0.00 175.76 175.36 3k12 s ALA 116 N -3.72 3.31 0.00 0.00 0.00 0.26 0.22 121.76 121.82 3k12 s ALA 116 Ca 0.37 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.89 3k12 s ALA 116 Cb 0.06 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.14 3k12 s ALA 116 CO 0.16 0.38 0.47 -2.13 0.00 0.00 0.00 175.76 174.64