#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k14 n ASP 2 N 0.00 5.34 -4.80 3.17 2.03 -1.26 -4.98 116.55 116.05 3k14 n ASP 2 Ca 0.00 -3.04 -0.34 0.00 0.52 0.00 0.00 54.79 51.92 3k14 n ASP 2 Cb 0.00 -1.50 -0.03 0.00 -0.72 0.00 0.00 41.12 38.86 3k14 n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3k14 s PHE 3 N 0.80 3.00 0.01 -0.67 0.08 -1.26 -1.11 117.98 118.83 3k14 s PHE 3 Ca 0.44 1.58 -0.00 0.00 0.12 0.00 0.00 56.93 59.06 3k14 s PHE 3 Cb 0.12 -3.07 -0.01 0.00 -0.57 0.00 0.00 43.02 39.48 3k14 s PHE 3 CO -0.03 -0.84 -0.01 1.03 -0.10 0.00 0.00 175.22 175.27 3k14 s ARG 4 N -3.20 0.22 0.13 0.44 1.81 -0.04 -4.95 118.95 113.36 3k14 s ARG 4 Ca 0.67 -0.41 0.08 0.00 -1.72 0.00 0.00 55.73 54.35 3k14 s ARG 4 Cb -0.17 0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.37 3k14 s ARG 4 CO 0.20 -0.04 -0.09 0.96 -0.68 0.00 0.00 175.30 175.65 3k14 s ILE 5 N -0.99 3.33 0.08 1.52 -4.36 -1.26 -1.36 121.20 118.16 3k14 s ILE 5 Ca -0.11 -1.39 0.03 0.00 -0.26 0.00 0.00 60.65 58.91 3k14 s ILE 5 Cb -0.07 -2.59 -0.03 0.00 1.25 0.00 0.00 42.46 41.02 3k14 s ILE 5 CO -0.01 0.03 -0.08 -0.83 0.24 0.00 0.00 174.94 174.30 3k14 s GLY 6 N -2.43 0.71 0.01 6.27 0.00 0.16 -4.07 107.32 107.97 3k14 s GLY 6 Ca 0.23 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.86 3k14 s GLY 6 CO 0.14 -1.18 -0.06 -0.86 0.00 0.00 0.00 173.10 171.14 3k14 s GLN 7 N -2.73 0.48 0.05 2.90 1.03 -1.26 -1.57 119.66 118.57 3k14 s GLN 7 Ca 0.02 -0.40 0.04 0.00 0.04 0.00 0.00 55.36 55.06 3k14 s GLN 7 Cb -0.03 -0.39 -0.02 0.00 0.03 0.00 0.00 33.01 32.60 3k14 s GLN 7 CO -0.01 0.10 -0.11 0.20 -2.54 0.00 0.00 175.29 172.92 3k14 s GLY 8 N -0.65 0.66 -0.01 2.60 0.00 0.28 -4.00 107.32 106.20 3k14 s GLY 8 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.89 3k14 s GLY 8 CO 0.00 -0.85 -0.03 -0.47 0.00 0.00 0.00 173.10 171.75 3k14 s TYR 9 N -1.18 0.35 0.02 1.90 6.14 -1.26 -0.85 117.35 122.47 3k14 s TYR 9 Ca -0.05 -0.06 -0.15 0.00 0.64 0.00 0.00 57.07 57.45 3k14 s TYR 9 Cb -0.09 -0.25 0.03 0.00 0.42 0.00 0.00 41.96 42.06 3k14 s TYR 9 CO 0.01 -0.02 0.34 0.34 0.64 0.00 0.00 175.55 176.86 3k14 s ASP 10 N 0.06 -0.19 -0.06 4.32 2.15 -0.39 -4.71 116.67 117.84 3k14 s ASP 10 Ca -0.00 -0.03 -0.09 0.00 0.43 0.00 0.00 52.55 52.86 3k14 s ASP 10 Cb -0.03 0.36 0.02 0.00 -0.30 0.00 0.00 42.92 42.97 3k14 s ASP 10 CO -0.00 -0.56 0.23 0.54 -0.17 0.00 0.00 175.17 175.20 3k14 s VAL 11 N -2.06 0.03 0.05 1.11 0.11 -1.26 -0.77 120.40 117.60 3k14 s VAL 11 Ca -0.08 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 3k14 s VAL 11 Cb -0.02 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 3k14 s VAL 11 CO 0.00 -0.14 -0.07 -1.00 -3.33 0.00 0.00 175.10 170.56 3k14 s HIS 12 N -0.49 0.67 0.40 1.54 3.76 -0.89 -4.99 115.29 115.28 3k14 s HIS 12 Ca -0.06 -0.54 -0.25 0.00 -0.15 0.00 0.00 55.06 54.06 3k14 s HIS 12 Cb -0.04 -0.40 -0.09 0.00 1.11 0.00 0.00 32.58 33.17 3k14 s HIS 12 CO 0.01 -0.10 1.16 -0.65 -0.85 0.00 0.00 174.74 174.32 3k14 s GLN 13 N -1.76 4.08 -0.17 1.40 -0.21 -1.26 -1.54 119.66 120.19 3k14 s GLN 13 Ca -0.08 1.83 -0.19 0.00 0.02 0.00 0.00 55.36 56.93 3k14 s GLN 13 Cb -0.09 -2.69 -0.03 0.00 1.00 0.00 0.00 33.01 31.20 3k14 s GLN 13 CO -0.00 -0.29 0.54 -0.51 -2.12 0.00 0.00 175.29 172.91 3k14 s LEU 14 N -2.46 4.18 0.05 2.90 1.43 -0.28 -0.88 118.68 123.62 3k14 s LEU 14 Ca 0.57 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 54.45 3k14 s LEU 14 Cb -0.30 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 3k14 s LEU 14 CO 0.38 -0.15 -0.08 0.68 0.23 0.00 0.00 176.35 177.41 3k14 s VAL 15 N 1.42 0.60 0.66 -1.59 -7.23 0.63 -4.85 120.40 110.04 3k14 s VAL 15 Ca 0.26 -1.21 -0.17 0.00 -1.81 0.00 0.00 61.98 59.05 3k14 s VAL 15 Cb -0.16 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 36.00 3k14 s VAL 15 CO 0.10 -0.44 1.21 -2.84 -0.31 0.00 0.00 175.10 172.82 3k14 s PRO 16 N -1.90 2.55 -0.08 4.82 0.02 -1.26 -0.65 135.00 138.50 3k14 s PRO 16 Ca -0.06 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.74 3k14 s PRO 16 Cb -0.08 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3k14 s PRO 16 CO -0.00 -1.53 0.00 0.41 -0.33 0.00 0.00 177.00 175.55 3k14 n GLY 17 N 0.41 0.48 3.23 0.52 0.00 -1.26 -4.83 105.19 103.75 3k14 n GLY 17 Ca 0.14 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 3k14 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k14 s ARG 18 N -1.01 1.55 0.43 1.61 1.81 -1.25 -5.01 118.95 117.08 3k14 s ARG 18 Ca 0.00 -0.81 -0.25 0.00 -1.72 0.00 0.00 55.73 52.95 3k14 s ARG 18 Cb 0.00 -1.56 -0.08 0.00 -0.45 0.00 0.00 34.95 32.86 3k14 s ARG 18 CO 0.00 0.42 1.26 -2.14 -0.68 0.00 0.00 175.30 174.15 3k14 s PRO 19 N -0.74 3.84 -0.45 3.54 0.02 -1.26 -1.91 135.00 138.03 3k14 s PRO 19 Ca 0.08 2.03 -0.22 0.00 0.02 0.00 0.00 61.00 62.91 3k14 s PRO 19 Cb -0.08 -2.61 0.03 0.00 0.02 0.00 0.00 34.50 31.86 3k14 s PRO 19 CO 0.00 -0.56 0.71 -1.17 -0.33 0.00 0.00 177.00 175.65 3k14 s LEU 20 N -2.70 4.41 -0.19 -5.54 2.96 -1.25 -3.56 118.68 112.80 3k14 s LEU 20 Ca 0.60 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3k14 s LEU 20 Cb -0.35 -2.82 0.03 0.00 0.50 0.00 0.00 46.19 43.55 3k14 s LEU 20 CO 0.44 -0.85 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.84 3k14 s ILE 21 N 3.03 1.84 -0.05 6.68 1.01 -1.26 -0.66 121.20 131.80 3k14 s ILE 21 Ca 0.25 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3k14 s ILE 21 Cb -0.13 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.57 3k14 s ILE 21 CO 0.20 0.33 -0.03 -0.63 0.00 0.00 0.00 174.94 174.82 3k14 s ILE 22 N 1.34 0.47 -1.45 2.92 1.01 -0.58 -4.25 121.20 120.65 3k14 s ILE 22 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.56 3k14 s ILE 22 Cb -0.15 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.81 3k14 s ILE 22 CO -0.10 0.23 0.48 0.61 0.00 0.00 0.00 174.94 176.16 3k14 n GLY 23 N 4.32 -0.51 3.03 6.18 0.00 -1.26 -1.36 105.19 115.59 3k14 n GLY 23 Ca -0.21 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3k14 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k14 n GLY 24 N -1.33 1.46 3.65 -0.02 0.00 -1.26 -4.33 105.19 103.36 3k14 n GLY 24 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3k14 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k14 s VAL 25 N -3.69 5.26 -0.33 1.61 1.01 -0.46 -5.05 120.40 118.74 3k14 s VAL 25 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 3k14 s VAL 25 Cb 0.00 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.77 3k14 s VAL 25 CO 0.00 0.27 1.09 -0.89 0.00 0.00 0.00 175.10 175.56 3k14 s THR 26 N 1.41 4.47 -0.20 3.92 2.01 -1.26 -1.53 115.64 124.46 3k14 s THR 26 Ca 0.13 1.69 -0.05 0.00 0.31 0.00 0.00 61.69 63.76 3k14 s THR 26 Cb -0.15 -4.43 -0.03 0.00 0.01 0.00 0.00 72.50 67.91 3k14 s THR 26 CO 0.07 -0.53 0.01 -0.63 -0.69 0.00 0.00 174.62 172.86 3k14 s ILE 27 N 3.74 4.08 -0.12 1.82 1.01 0.17 -5.02 121.20 126.88 3k14 s ILE 27 Ca 0.46 -0.27 -0.36 0.00 0.00 0.00 0.00 60.65 60.47 3k14 s ILE 27 Cb -0.12 -2.85 -0.14 0.00 0.01 0.00 0.00 42.46 39.37 3k14 s ILE 27 CO 0.17 0.42 1.76 -2.65 0.00 0.00 0.00 174.94 174.65 3k14 n PRO 28 N 4.20 1.74 -3.61 2.79 -0.02 -1.26 -4.24 135.00 134.60 3k14 n PRO 28 Ca -0.17 0.64 -0.08 0.00 -2.02 0.00 0.00 63.50 61.87 3k14 n PRO 28 Cb 0.52 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 3k14 n PRO 28 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3k14 s TYR 29 N 3.31 -0.29 -0.51 6.00 5.04 -1.26 -4.95 117.35 124.69 3k14 s TYR 29 Ca 0.93 0.57 0.25 0.00 -2.44 0.00 0.00 57.07 56.37 3k14 s TYR 29 Cb -0.84 0.45 0.94 0.00 0.35 0.00 0.00 41.96 42.85 3k14 s TYR 29 CO 0.55 -0.22 1.75 1.05 -1.34 0.00 0.00 175.55 177.34 3k14 h GLU 30 N 2.84 0.00 -5.28 4.97 9.09 -1.92 -3.45 114.58 120.83 3k14 h GLU 30 Ca -0.19 0.00 -0.44 0.00 0.05 0.00 0.00 59.36 58.78 3k14 h GLU 30 Cb 1.17 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 28.13 3k14 h GLU 30 CO 0.24 0.00 -0.65 1.03 0.05 0.00 0.00 179.01 179.67 3k14 s ARG 31 N -3.28 1.48 0.29 1.06 0.52 -1.26 -4.15 118.95 113.62 3k14 s ARG 31 Ca 0.06 -1.77 0.03 0.00 -0.52 0.00 0.00 55.73 53.53 3k14 s ARG 31 Cb 0.10 -0.88 -0.03 0.00 0.52 0.00 0.00 34.95 34.66 3k14 s ARG 31 CO 0.48 -0.06 0.28 0.20 0.02 0.00 0.00 175.30 176.22 3k14 s GLY 32 N -3.40 1.87 0.08 -3.53 0.00 0.18 -3.87 107.32 98.65 3k14 s GLY 32 Ca 0.30 -1.83 -0.21 0.00 0.00 0.00 0.00 44.72 42.98 3k14 s GLY 32 CO 0.11 -1.34 0.64 1.08 0.00 0.00 0.00 173.10 173.59 3k14 s LEU 33 N -3.28 4.51 -0.16 0.66 1.43 -1.23 -0.27 118.68 120.35 3k14 s LEU 33 Ca 0.38 1.35 -0.18 0.00 -1.03 0.00 0.00 54.13 54.65 3k14 s LEU 33 Cb 0.03 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 3k14 s LEU 33 CO 0.21 0.20 0.49 -0.22 0.23 0.00 0.00 176.35 177.26 3k14 s LEU 34 N -0.83 4.22 0.12 1.79 2.96 -0.06 -4.67 118.68 122.20 3k14 s LEU 34 Ca 0.32 0.74 -0.25 0.00 -0.22 0.00 0.00 54.13 54.71 3k14 s LEU 34 Cb -0.20 -2.69 0.08 0.00 0.50 0.00 0.00 46.19 43.88 3k14 s LEU 34 CO 0.21 -0.08 1.08 -0.83 -1.32 0.00 0.00 176.35 175.41 3k14 s GLY 35 N 0.86 -0.15 0.17 7.98 0.00 -1.26 -4.42 107.32 110.50 3k14 s GLY 35 Ca 0.25 0.09 -0.08 0.00 0.00 0.00 0.00 44.72 44.97 3k14 s GLY 35 CO 0.10 1.18 1.57 0.45 0.00 0.00 0.00 173.10 176.40 3k14 h HIS 36 N 2.00 1.07 -1.78 1.90 -0.00 -2.00 -3.44 115.15 112.89 3k14 h HIS 36 Ca -0.26 -0.26 0.00 0.00 -0.00 0.00 0.00 60.37 59.84 3k14 h HIS 36 Cb 1.22 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 28.38 3k14 h HIS 36 CO 0.75 1.06 0.00 0.45 -0.00 0.00 0.00 177.93 180.20 3k14 n SER 37 N -4.10 0.00 0.00 2.45 2.88 -1.26 -4.94 113.62 108.64 3k14 n SER 37 Ca -0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 3k14 n SER 37 Cb 0.46 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.61 3k14 n SER 37 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3k14 n ASP 38 N 0.00 0.00 -3.00 -3.46 5.68 -1.26 -4.89 116.55 109.62 3k14 n ASP 38 Ca 0.00 -0.75 -0.22 0.00 -0.50 0.00 0.00 54.79 53.32 3k14 n ASP 38 Cb 0.00 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.02 3k14 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k14 n ALA 39 N -0.99 -1.00 -2.25 2.12 0.00 -1.26 -4.74 120.51 112.39 3k14 n ALA 39 Ca 0.18 0.30 -0.36 0.00 0.00 0.00 0.00 53.44 53.56 3k14 n ALA 39 Cb 0.08 -4.12 -0.04 0.00 0.00 0.00 0.00 19.45 15.38 3k14 n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3k14 s ASP 40 N -2.87 5.65 0.37 0.00 -1.08 -1.26 -4.80 116.67 112.68 3k14 s ASP 40 Ca 0.35 -0.53 0.04 0.00 -0.52 0.00 0.00 52.55 51.89 3k14 s ASP 40 Cb -0.16 -2.55 0.71 0.00 -1.46 0.00 0.00 42.92 39.46 3k14 s ASP 40 CO 0.44 -2.22 2.00 1.62 0.52 0.00 0.00 175.17 177.54 3k14 h VAL 41 N 6.84 1.15 -0.10 1.11 3.04 -1.90 -0.94 116.25 125.44 3k14 h VAL 41 Ca -0.04 -0.35 -0.05 0.00 -1.01 0.00 0.00 66.70 65.25 3k14 h VAL 41 Cb 1.06 0.46 -0.00 0.00 -2.01 0.00 0.00 31.29 30.79 3k14 h VAL 41 CO 1.27 0.16 -0.13 0.25 -1.01 0.00 0.00 177.57 178.12 3k14 h LEU 42 N 0.69 0.29 -0.85 3.16 5.85 -1.90 -2.08 115.31 120.47 3k14 h LEU 42 Ca 0.18 -0.51 -0.08 0.00 0.84 0.00 0.00 57.88 58.31 3k14 h LEU 42 Cb -0.01 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3k14 h LEU 42 CO -0.03 0.74 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.72 3k14 h LEU 43 N -0.15 0.82 -0.46 2.25 3.38 -1.86 -1.95 115.31 117.32 3k14 h LEU 43 Ca 0.01 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3k14 h LEU 43 Cb 0.66 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3k14 h LEU 43 CO 0.03 0.89 0.30 0.45 0.09 0.00 0.00 178.44 180.20 3k14 h HIS 44 N 0.78 0.56 -0.61 1.13 3.86 -1.17 0.11 115.15 119.81 3k14 h HIS 44 Ca 0.15 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3k14 h HIS 44 Cb 0.49 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 3k14 h HIS 44 CO 0.03 0.34 0.31 0.00 0.86 0.00 0.00 177.93 179.47 3k14 h ALA 45 N 1.18 0.79 -0.40 2.45 0.00 -1.05 -0.43 119.26 121.79 3k14 h ALA 45 Ca 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3k14 h ALA 45 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3k14 h ALA 45 CO -0.05 0.33 0.11 0.82 0.00 0.00 0.00 179.25 180.46 3k14 h ILE 46 N 0.84 1.22 -0.35 0.00 2.04 -1.18 -1.10 117.51 118.98 3k14 h ILE 46 Ca 0.21 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.38 3k14 h ILE 46 Cb 0.09 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3k14 h ILE 46 CO -0.03 0.26 0.01 0.74 0.00 0.00 0.00 178.15 179.13 3k14 h THR 47 N 0.51 0.75 -0.81 -0.27 2.02 -0.71 -0.44 112.91 113.96 3k14 h THR 47 Ca 0.13 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3k14 h THR 47 Cb 0.29 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3k14 h THR 47 CO -0.00 0.02 0.45 0.44 0.37 0.00 0.00 175.52 176.80 3k14 h ASP 48 N 0.11 1.01 -0.77 4.18 5.19 -0.90 -0.70 116.42 124.53 3k14 h ASP 48 Ca 0.17 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 3k14 h ASP 48 Cb 0.23 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.44 3k14 h ASP 48 CO -0.27 0.81 0.45 0.00 -3.12 0.00 0.00 179.24 177.10 3k14 h ALA 49 N 1.24 0.99 -0.13 3.45 0.00 -0.63 0.10 119.26 124.28 3k14 h ALA 49 Ca 0.29 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3k14 h ALA 49 Cb 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3k14 h ALA 49 CO -0.05 0.48 -0.02 -0.07 0.00 0.00 0.00 179.25 179.59 3k14 h LEU 50 N 1.06 0.24 -0.95 0.00 3.38 -0.81 -0.38 115.31 117.85 3k14 h LEU 50 Ca 0.27 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.96 3k14 h LEU 50 Cb -0.00 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 3k14 h LEU 50 CO -0.05 0.54 0.61 -0.26 0.09 0.00 0.00 178.44 179.37 3k14 h PHE 51 N -0.06 1.12 -0.51 1.13 0.04 -1.02 -2.23 116.94 115.42 3k14 h PHE 51 Ca 0.03 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.79 3k14 h PHE 51 Cb 0.43 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 3k14 h PHE 51 CO 0.05 0.57 0.14 0.78 -0.60 0.00 0.00 178.31 179.25 3k14 h GLY 52 N 1.10 0.86 1.67 -1.45 0.00 -0.54 0.77 103.07 105.48 3k14 h GLY 52 Ca 0.42 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3k14 h GLY 52 CO -0.18 0.49 -0.19 0.00 0.00 0.00 0.00 176.54 176.66 3k14 h ALA 53 N 1.01 1.26 -0.04 3.60 0.00 -0.77 -1.89 119.26 122.43 3k14 h ALA 53 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3k14 h ALA 53 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3k14 h ALA 53 CO -0.00 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3k14 n ALA 54 N -2.48 2.58 -3.77 0.00 0.00 -0.87 -4.60 120.51 111.38 3k14 n ALA 54 Ca -0.00 -0.40 -0.26 0.00 0.00 0.00 0.00 53.44 52.78 3k14 n ALA 54 Cb 0.35 -1.21 0.04 0.00 0.00 0.00 0.00 19.45 18.62 3k14 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k14 n ALA 55 N -0.04 -1.56 -0.45 0.00 0.00 -0.65 -4.91 120.51 112.91 3k14 n ALA 55 Ca 0.19 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.81 3k14 n ALA 55 Cb 0.30 -3.73 0.26 0.00 0.00 0.00 0.00 19.45 16.28 3k14 n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k14 n LEU 56 N -4.58 3.80 0.00 0.00 4.77 0.17 -5.03 117.00 116.14 3k14 n LEU 56 Ca -0.09 -2.25 0.00 0.00 -0.03 0.00 0.00 56.01 53.64 3k14 n LEU 56 Cb 0.59 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3k14 n LEU 56 CO 0.71 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 178.19 3k14 n GLY 57 N 0.82 1.06 3.66 -0.72 0.00 -1.25 -4.93 105.19 103.84 3k14 n GLY 57 Ca 0.20 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 3k14 n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k14 s ASP 58 N -4.00 0.02 0.37 1.61 1.47 -1.26 -4.05 116.67 110.83 3k14 s ASP 58 Ca 0.00 -0.96 0.04 0.00 1.18 0.00 0.00 52.55 52.80 3k14 s ASP 58 Cb 0.00 0.66 0.70 0.00 -0.34 0.00 0.00 42.92 43.95 3k14 s ASP 58 CO 0.00 -1.28 2.02 -0.29 0.68 0.00 0.00 175.17 176.30 3k14 h ILE 59 N 2.15 1.15 -0.59 2.11 2.10 -1.92 -2.14 117.51 120.36 3k14 h ILE 59 Ca -0.26 -0.28 -0.07 0.00 1.08 0.00 0.00 64.86 65.34 3k14 h ILE 59 Cb 1.25 0.34 -0.03 0.00 -1.09 0.00 0.00 36.82 37.30 3k14 h ILE 59 CO 0.34 0.14 0.11 1.23 -1.08 0.00 0.00 178.15 178.89 3k14 h GLY 60 N 0.76 1.01 1.87 8.18 0.00 -1.97 -1.72 103.07 111.21 3k14 h GLY 60 Ca 0.20 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3k14 h GLY 60 CO -0.04 0.59 -0.14 0.07 0.00 0.00 0.00 176.54 177.02 3k14 h ARG 61 N 0.89 0.00 0.09 4.80 0.11 -1.82 -3.34 114.38 115.11 3k14 h ARG 61 Ca 0.19 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.93 3k14 h ARG 61 Cb 0.37 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.43 3k14 h ARG 61 CO 0.01 0.01 -1.85 0.45 0.10 0.00 0.00 179.97 178.69 3k14 h HIS 62 N 0.00 0.34 -1.40 4.08 3.86 -1.22 -3.49 115.15 117.32 3k14 h HIS 62 Ca -0.00 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 3k14 h HIS 62 Cb 1.01 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.47 3k14 h HIS 62 CO 0.00 1.50 0.00 1.19 0.86 0.00 0.00 177.93 181.48 3k14 n PHE 63 N -3.35 0.00 -0.70 2.45 3.72 -0.66 -5.11 117.46 113.81 3k14 n PHE 63 Ca -0.25 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.84 3k14 n PHE 63 Cb 1.05 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.74 3k14 n PHE 63 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3k14 n ASP 74 N 0.00 -2.57 0.27 4.37 5.68 -1.26 -4.72 116.55 118.32 3k14 n ASP 74 Ca 0.00 -0.16 0.16 0.00 -0.50 0.00 0.00 54.79 54.30 3k14 n ASP 74 Cb 0.00 -0.85 0.63 0.00 -1.14 0.00 0.00 41.12 39.76 3k14 n ASP 74 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3k14 h SER 75 N -2.01 0.00 -0.16 -1.12 0.02 -1.96 -2.45 113.55 105.87 3k14 h SER 75 Ca -0.47 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.25 3k14 h SER 75 Cb 1.28 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.83 3k14 h SER 75 CO 0.32 0.03 -0.78 0.03 -1.14 0.00 0.00 176.83 175.29 3k14 h ARG 76 N 0.00 0.81 -0.95 3.45 3.08 -1.98 -0.32 114.38 118.46 3k14 h ARG 76 Ca -0.00 -0.66 -0.01 0.00 0.07 0.00 0.00 59.98 59.39 3k14 h ARG 76 Cb 0.57 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 3k14 h ARG 76 CO 0.00 1.26 0.57 0.00 -1.07 0.00 0.00 179.97 180.74 3k14 h ALA 77 N 0.55 1.21 -0.57 0.04 0.00 -1.89 -0.28 119.26 118.33 3k14 h ALA 77 Ca -0.05 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3k14 h ALA 77 Cb 1.41 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3k14 h ALA 77 CO 0.16 0.67 0.02 -0.07 0.00 0.00 0.00 179.25 180.03 3k14 h LEU 78 N 1.31 0.95 -0.51 0.00 3.38 -1.35 -1.13 115.31 117.96 3k14 h LEU 78 Ca 0.34 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3k14 h LEU 78 Cb -0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3k14 h LEU 78 CO -0.06 0.99 0.03 0.25 0.09 0.00 0.00 178.44 179.74 3k14 h LEU 79 N 0.90 0.85 -0.87 1.67 5.85 -0.65 0.22 115.31 123.28 3k14 h LEU 79 Ca 0.17 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3k14 h LEU 79 Cb 0.50 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3k14 h LEU 79 CO 0.02 0.93 0.53 0.03 -0.34 0.00 0.00 178.44 179.61 3k14 h ARG 80 N 0.75 1.18 -0.45 1.25 3.08 -0.88 -1.01 114.38 118.29 3k14 h ARG 80 Ca 0.15 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 3k14 h ARG 80 Cb 0.47 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3k14 h ARG 80 CO 0.02 0.82 -0.11 1.49 -1.07 0.00 0.00 179.97 181.12 3k14 h GLU 81 N 1.19 0.86 -0.13 0.04 4.57 -0.92 -1.51 114.58 118.68 3k14 h GLU 81 Ca 0.31 -0.33 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3k14 h GLU 81 Cb -0.06 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.43 3k14 h GLU 81 CO -0.06 0.97 -0.18 0.00 -1.18 0.00 0.00 179.01 178.56 3k14 h ALA 83 N 0.80 1.49 -0.14 0.00 0.00 -1.01 0.39 119.26 120.80 3k14 h ALA 83 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3k14 h ALA 83 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3k14 h ALA 83 CO -0.26 0.26 0.09 1.03 0.00 0.00 0.00 179.25 180.37 3k14 h SER 84 N 1.02 0.17 -0.17 0.00 0.87 -0.63 -1.08 113.55 113.74 3k14 h SER 84 Ca 0.49 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.94 3k14 h SER 84 Cb 0.44 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 3k14 h SER 84 CO -0.25 0.15 -0.13 0.03 -0.53 0.00 0.00 176.83 176.10 3k14 h ARG 85 N 0.17 0.55 -0.38 2.24 3.08 -0.08 0.55 114.38 120.50 3k14 h ARG 85 Ca 0.05 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3k14 h ARG 85 Cb 0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3k14 h ARG 85 CO -0.01 0.67 0.16 0.28 -1.07 0.00 0.00 179.97 180.00 3k14 h VAL 86 N 0.50 1.18 -0.54 2.04 2.07 -0.79 -2.14 116.25 118.57 3k14 h VAL 86 Ca 0.09 -0.55 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 3k14 h VAL 86 Cb 0.53 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3k14 h VAL 86 CO 0.03 0.20 -0.02 0.00 0.02 0.00 0.00 177.57 177.80 3k14 h ALA 87 N 1.01 0.94 -0.42 1.67 0.00 -0.83 -2.39 119.26 119.23 3k14 h ALA 87 Ca 0.13 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3k14 h ALA 87 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3k14 h ALA 87 CO -0.01 0.63 0.28 0.37 0.00 0.00 0.00 179.25 180.52 3k14 h GLN 88 N 0.86 0.45 -0.00 0.00 5.75 -0.67 -0.63 115.11 120.88 3k14 h GLN 88 Ca 0.16 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 3k14 h GLN 88 Cb 0.54 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.99 3k14 h GLN 88 CO 0.03 0.30 -0.03 0.00 -2.65 0.00 0.00 178.83 176.48 3k14 n ALA 89 N -2.49 2.63 -0.21 3.38 0.00 -0.83 -4.91 120.51 118.08 3k14 n ALA 89 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3k14 n ALA 89 Cb 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3k14 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k14 n GLY 90 N 1.18 0.87 3.74 0.00 0.00 -0.24 -5.09 105.19 105.65 3k14 n GLY 90 Ca 0.18 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3k14 n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k14 s PHE 91 N -2.00 3.18 -0.08 1.61 0.08 -0.93 -4.38 117.98 115.46 3k14 s PHE 91 Ca 0.00 0.13 0.01 0.00 0.12 0.00 0.00 56.93 57.19 3k14 s PHE 91 Cb 0.00 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 3k14 s PHE 91 CO 0.00 0.51 -0.08 0.00 -0.10 0.00 0.00 175.22 175.55 3k14 s ALA 92 N -1.19 2.92 -0.03 5.36 0.00 0.22 -3.85 121.76 125.19 3k14 s ALA 92 Ca 0.23 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 51.02 3k14 s ALA 92 Cb -0.12 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3k14 s ALA 92 CO 0.14 0.52 0.85 0.42 0.00 0.00 0.00 175.76 177.69 3k14 s ILE 93 N -0.64 4.95 -0.25 0.00 1.01 -1.26 -0.80 121.20 124.21 3k14 s ILE 93 Ca 0.10 1.76 -0.04 0.00 0.00 0.00 0.00 60.65 62.47 3k14 s ILE 93 Cb -0.11 -4.19 -0.17 0.00 0.01 0.00 0.00 42.46 38.00 3k14 s ILE 93 CO 0.02 0.20 -0.18 0.54 0.00 0.00 0.00 174.94 175.52 3k14 n ARG 94 N 3.86 0.64 -3.47 2.79 5.12 0.38 -4.96 116.66 121.02 3k14 n ARG 94 Ca 0.03 0.21 -0.10 0.00 -1.93 0.00 0.00 57.85 56.05 3k14 n ARG 94 Cb 0.51 -1.54 -0.02 0.00 -1.16 0.00 0.00 32.46 30.25 3k14 n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3k14 s ASN 95 N -6.84 -0.45 -0.00 0.55 4.22 -1.10 -4.85 114.94 106.46 3k14 s ASN 95 Ca -0.34 0.03 0.03 0.00 -2.14 0.00 0.00 52.86 50.44 3k14 s ASN 95 Cb 0.10 0.47 -0.01 0.00 1.28 0.00 0.00 41.25 43.09 3k14 s ASN 95 CO 0.59 -0.76 -0.11 0.68 -2.04 0.00 0.00 177.10 175.46 3k14 s VAL 96 N -3.29 0.87 0.13 3.54 -7.23 -0.34 -1.61 120.40 112.48 3k14 s VAL 96 Ca 0.03 -0.52 0.06 0.00 -1.81 0.00 0.00 61.98 59.74 3k14 s VAL 96 Cb -0.01 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 3k14 s VAL 96 CO -0.10 0.20 -0.14 -0.62 -0.31 0.00 0.00 175.10 174.13 3k14 s ASP 97 N -0.37 2.07 0.18 4.85 2.15 -0.30 -1.02 116.67 124.23 3k14 s ASP 97 Ca 0.04 -0.84 -0.23 0.00 0.43 0.00 0.00 52.55 51.95 3k14 s ASP 97 Cb -0.05 -0.07 0.06 0.00 -0.30 0.00 0.00 42.92 42.56 3k14 s ASP 97 CO -0.00 -0.15 0.68 -0.94 -0.17 0.00 0.00 175.17 174.58 3k14 s SER 98 N -2.57 -0.44 -0.02 -0.34 1.04 -0.88 -0.61 113.70 109.88 3k14 s SER 98 Ca 0.11 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.35 3k14 s SER 98 Cb -0.04 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.71 3k14 s SER 98 CO 0.03 -1.04 -0.01 -0.89 0.98 0.00 0.00 173.24 172.31 3k14 s THR 99 N -3.72 0.20 -0.15 2.02 2.01 0.03 -1.06 115.64 114.96 3k14 s THR 99 Ca 0.05 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.99 3k14 s THR 99 Cb -0.02 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 3k14 s THR 99 CO -0.06 0.11 0.06 -0.63 -0.69 0.00 0.00 174.62 173.41 3k14 s ILE 100 N 0.58 4.78 -0.29 1.82 1.01 0.74 -1.00 121.20 128.85 3k14 s ILE 100 Ca -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 3k14 s ILE 100 Cb -0.09 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.30 3k14 s ILE 100 CO -0.01 0.51 0.00 -0.63 0.00 0.00 0.00 174.94 174.82 3k14 s ILE 101 N -0.08 3.16 -0.11 2.92 1.01 0.58 -0.82 121.20 127.87 3k14 s ILE 101 Ca 0.06 -1.17 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 3k14 s ILE 101 Cb -0.12 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.66 3k14 s ILE 101 CO 0.01 -0.00 0.26 0.00 0.00 0.00 0.00 174.94 175.21 3k14 s ALA 102 N 1.32 -0.60 0.20 9.38 0.00 -0.18 -1.96 121.76 129.92 3k14 s ALA 102 Ca -0.02 0.98 0.04 0.00 0.00 0.00 0.00 51.96 52.96 3k14 s ALA 102 Cb -0.18 -0.61 0.13 0.00 0.00 0.00 0.00 23.12 22.45 3k14 s ALA 102 CO -0.01 -0.19 1.47 0.37 0.00 0.00 0.00 175.76 177.40 3k14 h GLN 103 N 6.92 0.19 -2.58 0.00 5.75 -1.82 -3.35 115.11 120.22 3k14 h GLN 103 Ca -0.38 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 57.89 3k14 h GLN 103 Cb 1.16 0.04 -0.17 0.00 1.07 0.00 0.00 27.48 29.58 3k14 h GLN 103 CO 0.37 0.85 0.06 0.00 -2.65 0.00 0.00 178.83 177.45 3k14 s ALA 104 N -3.46 -1.42 0.96 3.38 0.00 -1.26 -4.84 121.76 115.12 3k14 s ALA 104 Ca -0.03 0.78 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 3k14 s ALA 104 Cb 0.11 0.27 0.17 0.00 0.00 0.00 0.00 23.12 23.67 3k14 s ALA 104 CO 0.81 -0.46 1.02 -0.35 0.00 0.00 0.00 175.76 176.78 3k14 n PRO 105 N 0.60 -0.91 -2.06 0.00 -0.04 -1.26 -5.06 135.00 126.26 3k14 n PRO 105 Ca -0.19 -1.68 -0.42 0.00 -0.04 0.00 0.00 63.50 61.18 3k14 n PRO 105 Cb 0.59 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 33.00 3k14 n PRO 105 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3k14 s LYS 106 N -5.21 4.27 -0.02 0.54 1.02 -1.26 -4.91 119.74 114.17 3k14 s LYS 106 Ca 0.59 2.21 0.18 0.00 0.02 0.00 0.00 55.97 58.97 3k14 s LYS 106 Cb -0.02 -3.20 -0.27 0.00 -0.52 0.00 0.00 37.83 33.82 3k14 s LYS 106 CO 0.41 -0.51 0.45 1.28 -0.92 0.00 0.00 175.35 176.06 3k14 n LEU 107 N 3.91 0.12 -0.29 3.17 4.77 -1.26 -4.63 117.00 122.79 3k14 n LEU 107 Ca 0.12 -0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.15 3k14 n LEU 107 Cb 0.41 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.77 3k14 n LEU 107 CO 0.60 0.03 0.96 0.00 -1.33 0.00 0.00 177.39 177.65 3k14 h ALA 108 N 1.79 1.25 0.00 -1.18 0.00 -1.98 0.06 119.26 119.21 3k14 h ALA 108 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3k14 h ALA 108 Cb 0.77 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3k14 h ALA 108 CO 0.00 -0.41 0.00 -2.30 0.00 0.00 0.00 179.25 176.54 3k14 n PRO 109 N -5.17 0.02 0.00 0.00 -0.02 -1.26 -3.00 135.00 125.56 3k14 n PRO 109 Ca 0.20 0.27 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 3k14 n PRO 109 Cb 0.64 -1.54 -0.07 0.00 -0.02 0.00 0.00 33.50 32.51 3k14 n PRO 109 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3k14 n HIS 110 N -1.57 0.00 -0.13 6.00 8.25 -0.01 -4.66 115.22 123.10 3k14 n HIS 110 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 3k14 n HIS 110 Cb 0.17 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.31 3k14 n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3k14 h ILE 111 N 0.15 0.92 -0.76 1.59 1.08 -1.42 -2.18 117.51 116.88 3k14 h ILE 111 Ca 0.00 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.33 3k14 h ILE 111 Cb 0.33 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.57 3k14 h ILE 111 CO 0.00 0.07 0.40 0.44 -0.69 0.00 0.00 178.15 178.36 3k14 h ASP 112 N 0.36 0.96 -0.53 1.72 3.32 -1.83 -1.38 116.42 119.05 3k14 h ASP 112 Ca 0.19 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 3k14 h ASP 112 Cb 0.14 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3k14 h ASP 112 CO -0.16 0.79 -0.09 0.00 -1.72 0.00 0.00 179.24 178.05 3k14 h ALA 113 N 1.36 0.81 -0.13 3.45 0.00 -1.77 -1.40 119.26 121.58 3k14 h ALA 113 Ca 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k14 h ALA 113 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3k14 h ALA 113 CO -0.04 0.67 0.09 0.52 0.00 0.00 0.00 179.25 180.48 3k14 h MET 114 N 0.90 0.18 -0.48 0.00 2.86 -0.88 -0.35 114.93 117.16 3k14 h MET 114 Ca 0.14 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.83 3k14 h MET 114 Cb 0.65 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.22 3k14 h MET 114 CO 0.04 0.13 0.20 -0.09 1.06 0.00 0.00 176.91 178.26 3k14 h ARG 115 N 0.17 0.38 -0.56 1.72 2.43 -1.14 0.08 114.38 117.46 3k14 h ARG 115 Ca 0.05 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3k14 h ARG 115 Cb -0.00 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3k14 h ARG 115 CO -0.01 0.25 0.26 0.00 -1.51 0.00 0.00 179.97 178.97 3k14 h ALA 116 N 1.30 0.72 -0.11 2.80 0.00 -0.98 -0.44 119.26 122.54 3k14 h ALA 116 Ca 0.22 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3k14 h ALA 116 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3k14 h ALA 116 CO -0.20 0.29 0.03 -0.91 0.00 0.00 0.00 179.25 178.46 3k14 h ASN 117 N 0.75 0.04 -0.36 0.00 2.35 -0.60 -1.40 115.58 116.35 3k14 h ASN 117 Ca 0.19 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3k14 h ASN 117 Cb 0.13 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3k14 h ASN 117 CO -0.02 0.04 0.20 0.40 -1.65 0.00 0.00 177.43 176.39 3k14 h ILE 118 N 0.09 1.15 -0.70 2.81 2.04 -0.84 -1.08 117.51 120.97 3k14 h ILE 118 Ca 0.05 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.55 3k14 h ILE 118 Cb 0.03 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3k14 h ILE 118 CO -0.05 0.15 0.44 0.00 0.00 0.00 0.00 178.15 178.69 3k14 h ALA 119 N 1.06 0.92 -0.29 1.87 0.00 -0.98 -0.43 119.26 121.41 3k14 h ALA 119 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3k14 h ALA 119 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3k14 h ALA 119 CO -0.02 0.23 0.06 0.00 0.00 0.00 0.00 179.25 179.51 3k14 h ALA 120 N 1.30 0.38 -0.38 0.00 0.00 -1.04 0.54 119.26 120.06 3k14 h ALA 120 Ca 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3k14 h ALA 120 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3k14 h ALA 120 CO -0.10 0.05 0.08 -0.44 0.00 0.00 0.00 179.25 178.84 3k14 h ASP 121 N 0.29 0.51 -0.17 0.00 3.32 -0.84 -2.85 116.42 116.68 3k14 h ASP 121 Ca 0.09 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3k14 h ASP 121 Cb 0.32 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3k14 h ASP 121 CO 0.00 0.52 0.00 0.18 -1.72 0.00 0.00 179.24 178.23 3k14 n LEU 122 N -4.33 2.55 -3.82 1.55 4.77 -0.20 -4.52 117.00 113.00 3k14 n LEU 122 Ca 0.02 -0.99 -0.25 0.00 -0.03 0.00 0.00 56.01 54.77 3k14 n LEU 122 Cb 0.19 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 3k14 n LEU 122 CO 0.38 0.49 -0.07 -0.67 -1.33 0.00 0.00 177.39 176.19 3k14 n ASP 123 N 0.94 -1.74 -4.47 -1.43 2.03 -0.50 -4.99 116.55 106.39 3k14 n ASP 123 Ca 0.17 -0.86 -0.29 0.00 0.52 0.00 0.00 54.79 54.32 3k14 n ASP 123 Cb 0.49 -3.73 -0.12 0.00 -0.72 0.00 0.00 41.12 37.04 3k14 n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3k14 s LEU 124 N -6.89 2.62 0.69 -2.67 1.43 0.06 -5.04 118.68 108.88 3k14 s LEU 124 Ca 0.16 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 3k14 s LEU 124 Cb -0.08 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.67 3k14 s LEU 124 CO 0.84 0.19 1.09 -2.16 0.23 0.00 0.00 176.35 176.53 3k14 s PRO 125 N -2.06 2.70 0.52 1.29 0.04 -1.26 -4.46 135.00 131.76 3k14 s PRO 125 Ca 0.17 1.23 0.17 0.00 0.04 0.00 0.00 61.00 62.61 3k14 s PRO 125 Cb -0.10 -1.95 1.29 0.00 0.04 0.00 0.00 34.50 33.77 3k14 s PRO 125 CO 0.09 -1.31 2.14 -0.07 0.04 0.00 0.00 177.00 177.88 3k14 h LEU 126 N -0.42 0.00 0.00 -3.56 3.38 -1.93 -2.31 115.31 110.47 3k14 h LEU 126 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3k14 h LEU 126 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3k14 h LEU 126 CO 0.54 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.17 3k14 n ASP 127 N -4.52 0.00 -0.16 -0.43 5.75 -1.26 -2.34 116.55 113.59 3k14 n ASP 127 Ca -0.02 -1.25 0.01 0.00 -0.01 0.00 0.00 54.79 53.53 3k14 n ASP 127 Cb 0.14 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.26 3k14 n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3k14 n ARG 128 N -0.79 2.33 -4.74 0.11 1.74 -0.87 -4.98 116.66 109.46 3k14 n ARG 128 Ca 0.12 -1.47 -0.26 0.00 -0.77 0.00 0.00 57.85 55.46 3k14 n ARG 128 Cb 0.06 -1.07 -0.17 0.00 -1.02 0.00 0.00 32.46 30.26 3k14 n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3k14 s VAL 129 N -0.87 1.36 -0.00 1.55 1.01 -0.99 -1.20 120.40 121.27 3k14 s VAL 129 Ca 0.06 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3k14 s VAL 129 Cb 0.03 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3k14 s VAL 129 CO 0.04 0.40 -0.07 0.21 0.00 0.00 0.00 175.10 175.68 3k14 s ASN 130 N 0.57 0.85 -0.05 3.32 2.47 -0.19 -4.98 114.94 116.94 3k14 s ASN 130 Ca -0.15 -0.16 0.02 0.00 0.42 0.00 0.00 52.86 52.98 3k14 s ASN 130 Cb -0.16 -0.08 0.02 0.00 -1.45 0.00 0.00 41.25 39.57 3k14 s ASN 130 CO 0.05 0.07 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.72 3k14 s VAL 131 N -0.26 0.83 0.11 -5.21 1.01 -1.26 -2.07 120.40 113.55 3k14 s VAL 131 Ca 0.02 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 61.80 3k14 s VAL 131 Cb -0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3k14 s VAL 131 CO -0.00 0.29 -0.27 -0.54 0.00 0.00 0.00 175.10 174.58 3k14 s LYS 132 N 0.73 1.48 -0.04 2.72 1.02 -0.23 -4.97 119.74 120.46 3k14 s LYS 132 Ca -0.13 -1.29 0.07 0.00 0.02 0.00 0.00 55.97 54.64 3k14 s LYS 132 Cb -0.15 -1.90 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 3k14 s LYS 132 CO 0.02 0.46 -0.25 0.00 -0.92 0.00 0.00 175.35 174.66 3k14 s ALA 133 N -1.00 2.10 0.02 5.17 0.00 -1.26 -0.19 121.76 126.59 3k14 s ALA 133 Ca 0.13 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 3k14 s ALA 133 Cb -0.10 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 3k14 s ALA 133 CO 0.05 0.45 0.01 0.15 0.00 0.00 0.00 175.76 176.42 3k14 s LYS 134 N -0.32 0.39 0.64 0.00 -0.14 -0.00 -4.95 119.74 115.35 3k14 s LYS 134 Ca 0.02 -0.63 0.06 0.00 -1.36 0.00 0.00 55.97 54.05 3k14 s LYS 134 Cb -0.12 0.14 0.11 0.00 -1.68 0.00 0.00 37.83 36.28 3k14 s LYS 134 CO 0.02 -0.07 0.88 0.95 -0.76 0.00 0.00 175.35 176.36 3k14 s THR 135 N -1.73 2.11 -0.24 2.17 -4.23 -1.26 -1.01 115.64 111.45 3k14 s THR 135 Ca -0.13 -0.85 0.13 0.00 -1.18 0.00 0.00 61.69 59.66 3k14 s THR 135 Cb -0.07 -2.26 0.55 0.00 1.34 0.00 0.00 72.50 72.05 3k14 s THR 135 CO -0.02 0.00 1.50 -3.20 -0.54 0.00 0.00 174.62 172.36 3k14 n ASN 136 N -2.49 3.49 -4.08 3.99 5.15 -1.26 -4.79 115.26 115.26 3k14 n ASN 136 Ca 0.16 -3.33 -0.33 0.00 -0.60 0.00 0.00 54.58 50.48 3k14 n ASN 136 Cb 0.61 -0.61 -0.01 0.00 -0.53 0.00 0.00 39.78 39.25 3k14 n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3k14 n GLU 137 N -0.72 -4.08 -1.60 1.20 -0.58 -1.26 -1.12 120.64 112.49 3k14 n GLU 137 Ca 0.29 0.46 -0.21 0.00 -0.42 0.00 0.00 57.16 57.29 3k14 n GLU 137 Cb 1.03 -5.21 -0.09 0.00 -0.57 0.00 0.00 31.44 26.60 3k14 n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3k14 n LYS 138 N -4.50 -1.44 -3.63 3.49 4.76 -1.26 -4.98 118.16 110.59 3k14 n LYS 138 Ca 0.03 1.23 -0.37 0.00 -2.87 0.00 0.00 58.31 56.33 3k14 n LYS 138 Cb 0.52 -5.60 -0.06 0.00 -1.84 0.00 0.00 35.03 28.04 3k14 n LYS 138 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3k14 s LEU 139 N -4.69 4.36 0.00 -0.35 1.43 -0.27 -4.56 118.68 114.59 3k14 s LEU 139 Ca 0.00 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 3k14 s LEU 139 Cb 0.00 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.88 3k14 s LEU 139 CO 0.00 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.45 3k14 n GLY 140 N 2.49 -0.78 0.29 -3.19 0.00 -1.26 -1.00 105.19 101.74 3k14 n GLY 140 Ca -0.15 -1.09 0.02 0.00 0.00 0.00 0.00 46.02 44.80 3k14 n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3k14 h TYR 141 N 0.00 0.53 -0.57 1.61 -0.00 -1.98 -0.90 116.97 115.66 3k14 h TYR 141 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 58.73 58.64 3k14 h TYR 141 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 36.73 36.54 3k14 h TYR 141 CO 0.00 0.43 0.10 -0.07 -0.00 0.00 0.00 178.16 178.63 3k14 h LEU 142 N 0.53 0.90 -1.41 0.10 3.38 -1.82 -0.31 115.31 116.69 3k14 h LEU 142 Ca 0.13 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3k14 h LEU 142 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3k14 h LEU 142 CO -0.01 0.93 -0.29 1.23 0.09 0.00 0.00 178.44 180.38 3k14 h GLY 143 N 0.84 0.00 0.37 0.83 0.00 -0.10 -1.94 103.07 103.06 3k14 h GLY 143 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3k14 h GLY 143 CO 0.01 0.00 -0.03 0.54 0.00 0.00 0.00 176.54 177.06 3k14 n ARG 144 N -4.11 1.19 -2.24 4.80 1.74 -0.43 -4.52 116.66 113.09 3k14 n ARG 144 Ca -0.02 -0.45 -0.09 0.00 -0.77 0.00 0.00 57.85 56.52 3k14 n ARG 144 Cb 0.35 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.30 3k14 n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k14 n GLY 145 N 1.14 0.05 0.10 -0.13 0.00 -0.73 -4.94 105.19 100.69 3k14 n GLY 145 Ca 0.20 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3k14 n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k14 h GLU 146 N -0.11 0.00 -3.21 1.61 5.08 -1.27 -3.44 114.58 113.25 3k14 h GLU 146 Ca -0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3k14 h GLU 146 Cb 1.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 3k14 h GLU 146 CO 0.24 0.00 0.16 0.20 -1.00 0.00 0.00 179.01 178.61 3k14 s GLY 147 N -4.15 0.41 -0.03 -3.84 0.00 -1.24 -1.13 107.32 97.34 3k14 s GLY 147 Ca 0.01 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.01 3k14 s GLY 147 CO 0.77 -0.37 -0.08 -0.42 0.00 0.00 0.00 173.10 173.00 3k14 s ILE 148 N -3.01 0.72 0.06 0.90 1.01 -0.59 -4.61 121.20 115.67 3k14 s ILE 148 Ca 0.17 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.54 3k14 s ILE 148 Cb -0.04 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 3k14 s ILE 148 CO 0.11 0.23 -0.06 -0.70 0.00 0.00 0.00 174.94 174.53 3k14 s GLU 149 N 0.23 2.43 0.04 2.79 2.12 -0.83 -2.09 118.70 123.39 3k14 s GLU 149 Ca -0.03 -0.84 0.05 0.00 0.36 0.00 0.00 54.97 54.50 3k14 s GLU 149 Cb -0.08 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.83 3k14 s GLU 149 CO 0.00 0.56 -0.13 0.00 -0.54 0.00 0.00 175.26 175.15 3k14 s ALA 150 N -1.15 1.11 0.04 6.30 0.00 0.05 -0.30 121.76 127.80 3k14 s ALA 150 Ca 0.21 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.45 3k14 s ALA 150 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3k14 s ALA 150 CO 0.12 0.21 -0.21 -0.65 0.00 0.00 0.00 175.76 175.23 3k14 s GLN 151 N -1.08 1.42 0.02 0.00 -0.21 -0.17 -1.27 119.66 118.37 3k14 s GLN 151 Ca 0.01 -0.91 -0.03 0.00 0.02 0.00 0.00 55.36 54.44 3k14 s GLN 151 Cb -0.08 -1.51 -0.01 0.00 1.00 0.00 0.00 33.01 32.41 3k14 s GLN 151 CO 0.01 0.39 0.04 0.00 -2.12 0.00 0.00 175.29 173.61 3k14 s ALA 152 N -0.76 -0.00 -0.01 6.09 0.00 -0.03 -0.79 121.76 126.25 3k14 s ALA 152 Ca 0.07 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.54 3k14 s ALA 152 Cb -0.09 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 3k14 s ALA 152 CO 0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 175.76 175.43 3k14 s ALA 153 N -1.99 0.95 -0.01 0.00 0.00 0.22 -0.56 121.76 120.37 3k14 s ALA 153 Ca -0.11 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.40 3k14 s ALA 153 Cb -0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 3k14 s ALA 153 CO -0.02 0.22 -0.06 0.00 0.00 0.00 0.00 175.76 175.90 3k14 s ALA 154 N -0.21 0.57 -0.15 0.00 0.00 -0.61 -1.15 121.76 120.22 3k14 s ALA 154 Ca 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 3k14 s ALA 154 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 3k14 s ALA 154 CO -0.00 0.11 -0.08 -1.17 0.00 0.00 0.00 175.76 174.62 3k14 s LEU 155 N 0.01 2.98 0.30 0.00 2.96 -0.63 -0.66 118.68 123.64 3k14 s LEU 155 Ca 0.00 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 3k14 s LEU 155 Cb -0.05 -1.70 -0.06 0.00 0.50 0.00 0.00 46.19 44.88 3k14 s LEU 155 CO -0.00 0.15 0.01 0.68 -1.32 0.00 0.00 176.35 175.87 3k14 s VAL 156 N 0.47 1.31 -0.01 1.68 -7.23 -0.46 -0.47 120.40 115.68 3k14 s VAL 156 Ca -0.06 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.08 3k14 s VAL 156 Cb -0.15 -2.62 0.01 0.00 0.56 0.00 0.00 36.38 34.17 3k14 s VAL 156 CO 0.04 -0.14 -0.03 0.54 -0.31 0.00 0.00 175.10 175.19 3k14 s VAL 157 N -3.23 0.32 -2.48 1.32 0.11 0.02 -0.86 120.40 115.61 3k14 s VAL 157 Ca 0.33 -0.11 0.28 0.00 -2.93 0.00 0.00 61.98 59.55 3k14 s VAL 157 Cb 0.07 -0.32 0.56 0.00 -1.53 0.00 0.00 36.38 35.16 3k14 s VAL 157 CO 0.13 0.12 1.76 -1.14 -3.33 0.00 0.00 175.10 172.65