#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 s ILE 6 N 0.00 2.30 0.22 0.55 -1.09 -1.26 -4.90 121.20 117.02 3kc4 s ILE 6 Ca 0.00 0.27 -0.23 0.00 -2.23 0.00 0.00 60.65 58.47 3kc4 s ILE 6 Cb 0.00 -3.18 0.04 0.00 -1.58 0.00 0.00 42.46 37.75 3kc4 s ILE 6 CO 0.00 0.05 0.80 0.00 -1.23 0.00 0.00 174.94 174.56 3kc4 s ARG 7 N -1.10 1.53 -0.10 2.79 1.70 -1.26 -2.71 118.95 119.80 3kc4 s ARG 7 Ca 0.57 -0.82 -0.01 0.00 -0.47 0.00 0.00 55.73 55.00 3kc4 s ARG 7 Cb -0.45 0.53 0.03 0.00 -0.57 0.00 0.00 34.95 34.49 3kc4 s ARG 7 CO 0.52 -0.70 -0.06 0.42 -1.08 0.00 0.00 175.30 174.40 3kc4 s ILE 8 N -3.67 0.88 -0.38 4.99 1.09 -1.26 -4.57 121.20 118.28 3kc4 s ILE 8 Ca 0.11 -0.20 -0.25 0.00 -1.10 0.00 0.00 60.65 59.21 3kc4 s ILE 8 Cb -0.04 -0.93 0.02 0.00 -1.06 0.00 0.00 42.46 40.45 3kc4 s ILE 8 CO 0.04 0.34 0.88 -0.60 -0.10 0.00 0.00 174.94 175.50 3kc4 s ARG 9 N 1.74 3.77 -0.36 2.79 3.52 0.14 -4.31 118.95 126.24 3kc4 s ARG 9 Ca 0.04 0.43 -0.12 0.00 -0.13 0.00 0.00 55.73 55.96 3kc4 s ARG 9 Cb -0.13 -3.82 0.01 0.00 -1.56 0.00 0.00 34.95 29.45 3kc4 s ARG 9 CO -0.07 -0.96 0.23 -0.51 -0.81 0.00 0.00 175.30 173.17 3kc4 s LEU 10 N 3.41 4.66 -0.15 -0.88 1.43 -1.18 -2.20 118.68 123.77 3kc4 s LEU 10 Ca 0.36 -0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 3kc4 s LEU 10 Cb -0.12 -2.08 0.06 0.00 0.03 0.00 0.00 46.19 44.08 3kc4 s LEU 10 CO 0.19 -0.33 0.14 -1.59 0.23 0.00 0.00 176.35 174.99 3kc4 s LYS 11 N 1.64 0.08 0.28 1.70 -2.85 -1.15 -3.18 119.74 116.26 3kc4 s LYS 11 Ca 0.04 0.19 -0.09 0.00 -1.00 0.00 0.00 55.97 55.11 3kc4 s LYS 11 Cb -0.18 -1.18 -0.00 0.00 -2.06 0.00 0.00 37.83 34.40 3kc4 s LYS 11 CO 0.08 -0.56 0.45 0.00 0.10 0.00 0.00 175.35 175.43 3kc4 s ALA 12 N 2.23 0.17 0.23 0.59 0.00 -1.05 -3.53 121.76 120.40 3kc4 s ALA 12 Ca 0.04 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 3kc4 s ALA 12 Cb -0.15 1.11 0.26 0.00 0.00 0.00 0.00 23.12 24.34 3kc4 s ALA 12 CO -0.09 -0.81 1.88 0.74 0.00 0.00 0.00 175.76 177.48 3kc4 h PHE 13 N 2.24 1.03 -3.36 0.00 -1.00 -1.87 -2.15 116.94 111.83 3kc4 h PHE 13 Ca -0.28 0.03 -0.56 0.00 2.81 0.00 0.00 57.97 59.96 3kc4 h PHE 13 Cb 1.25 -0.34 -0.06 0.00 3.61 0.00 0.00 35.95 40.41 3kc4 h PHE 13 CO 0.74 0.59 0.06 -0.51 -1.61 0.00 0.00 178.31 177.59 3kc4 s ASP 14 N -5.88 6.93 0.30 2.17 1.01 -1.26 -3.84 116.67 116.10 3kc4 s ASP 14 Ca -0.13 1.12 0.17 0.00 0.71 0.00 0.00 52.55 54.42 3kc4 s ASP 14 Cb 0.17 -2.39 0.11 0.00 1.01 0.00 0.00 42.92 41.82 3kc4 s ASP 14 CO 0.79 -0.11 1.42 1.12 0.21 0.00 0.00 175.17 178.60 3kc4 h HIS 15 N 6.80 0.00 0.00 4.23 2.07 -1.94 -3.03 115.15 123.28 3kc4 h HIS 15 Ca -0.40 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.02 3kc4 h HIS 15 Cb 1.19 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.14 3kc4 h HIS 15 CO 0.65 0.37 -0.03 0.54 -3.07 0.00 0.00 177.93 176.39 3kc4 n ARG 16 N -3.15 1.09 0.00 5.12 3.00 -1.26 -0.37 116.66 121.09 3kc4 n ARG 16 Ca 0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 57.85 57.36 3kc4 n ARG 16 Cb 0.69 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.45 3kc4 n ARG 16 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3kc4 n LEU 17 N 2.53 0.00 0.25 0.55 7.94 -1.24 -4.64 117.00 122.40 3kc4 n LEU 17 Ca 0.21 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.21 3kc4 n LEU 17 Cb 0.51 0.16 0.66 0.00 0.53 0.00 0.00 43.42 45.27 3kc4 n LEU 17 CO 0.14 -0.16 0.97 0.40 -1.11 0.00 0.00 177.39 177.64 3kc4 h ILE 18 N 0.00 0.82 0.00 1.96 2.04 -1.26 -2.77 117.51 118.31 3kc4 h ILE 18 Ca 0.00 -0.46 -0.28 0.00 1.00 0.00 0.00 64.86 65.12 3kc4 h ILE 18 Cb 0.00 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3kc4 h ILE 18 CO 0.00 0.12 -2.16 0.47 0.00 0.00 0.00 178.15 176.58 3kc4 n ASP 19 N -4.01 0.18 0.15 1.72 8.00 0.50 -3.86 116.55 119.23 3kc4 n ASP 19 Ca -0.02 0.08 0.02 0.00 0.71 0.00 0.00 54.79 55.58 3kc4 n ASP 19 Cb 0.21 0.98 0.17 0.00 -0.02 0.00 0.00 41.12 42.46 3kc4 n ASP 19 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3kc4 h GLN 20 N 0.00 0.00 0.00 -1.24 4.20 -1.73 -2.15 115.11 114.18 3kc4 h GLN 20 Ca -0.39 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.29 3kc4 h GLN 20 Cb 1.95 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.72 3kc4 h GLN 20 CO 0.03 0.52 -0.16 0.00 -0.67 0.00 0.00 178.83 178.55 3kc4 h ALA 21 N 1.48 1.02 0.19 3.87 0.00 -1.63 -3.37 119.26 120.81 3kc4 h ALA 21 Ca -0.01 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.44 3kc4 h ALA 21 Cb 1.17 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.95 3kc4 h ALA 21 CO 0.07 0.20 -1.52 1.15 0.00 0.00 0.00 179.25 179.15 3kc4 h THR 22 N 0.00 1.10 0.00 0.00 2.02 -1.49 -3.35 112.91 111.19 3kc4 h THR 22 Ca -0.00 -2.54 -0.07 0.00 0.77 0.00 0.00 66.41 64.57 3kc4 h THR 22 Cb 0.69 2.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.96 3kc4 h THR 22 CO 0.02 0.80 -0.35 0.00 0.37 0.00 0.00 175.52 176.37 3kc4 h ALA 23 N 0.08 0.92 0.00 6.16 0.00 -1.71 -0.20 119.26 124.51 3kc4 h ALA 23 Ca -0.29 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3kc4 h ALA 23 Cb 2.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3kc4 h ALA 23 CO 0.18 0.43 0.00 0.39 0.00 0.00 0.00 179.25 180.25 3kc4 n GLU 24 N -3.40 0.13 0.00 0.00 1.02 -1.26 -2.19 120.64 114.94 3kc4 n GLU 24 Ca 0.01 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3kc4 n GLU 24 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 3kc4 n GLU 24 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3kc4 n ILE 25 N -1.40 0.00 0.06 -3.67 -5.35 -0.91 -3.27 119.36 104.82 3kc4 n ILE 25 Ca 0.07 -0.09 -0.09 0.00 -0.27 0.00 0.00 62.75 62.37 3kc4 n ILE 25 Cb 0.19 0.55 0.05 0.00 -1.74 0.00 0.00 39.64 38.68 3kc4 n ILE 25 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3kc4 h VAL 26 N 0.00 1.39 0.03 7.28 2.07 -1.07 -0.79 116.25 125.16 3kc4 h VAL 26 Ca 0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.40 3kc4 h VAL 26 Cb 0.00 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3kc4 h VAL 26 CO 0.00 0.64 -0.12 -0.08 0.02 0.00 0.00 177.57 178.03 3kc4 h GLU 27 N 0.25 -0.17 -0.25 1.57 4.57 -1.58 -2.99 114.58 115.99 3kc4 h GLU 27 Ca -0.02 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3kc4 h GLU 27 Cb 1.27 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 3kc4 h GLU 27 CO 0.12 -0.11 0.16 1.79 -1.18 0.00 0.00 179.01 179.79 3kc4 h THR 28 N -0.18 1.06 0.00 0.32 1.35 -1.63 -2.50 112.91 111.34 3kc4 h THR 28 Ca -0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3kc4 h THR 28 Cb 0.17 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 3kc4 h THR 28 CO -0.06 0.06 0.06 0.00 -0.25 0.00 0.00 175.52 175.32 3kc4 n ALA 29 N -2.50 0.94 0.25 6.62 0.00 -0.30 -1.45 120.51 124.06 3kc4 n ALA 29 Ca 0.01 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 3kc4 n ALA 29 Cb 0.07 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 3kc4 n ALA 29 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kc4 h LYS 30 N 0.00 -0.65 -0.61 0.00 1.57 -1.30 -1.41 116.57 114.16 3kc4 h LYS 30 Ca 0.00 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3kc4 h LYS 30 Cb 0.11 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3kc4 h LYS 30 CO 0.00 -0.39 0.19 0.00 -0.57 0.00 0.00 179.45 178.68 3kc4 h ARG 31 N -1.12 0.95 0.00 3.15 -0.00 -1.42 -3.31 114.38 112.63 3kc4 h ARG 31 Ca -0.07 -0.20 0.00 0.00 -0.50 0.00 0.00 59.98 59.21 3kc4 h ARG 31 Cb 0.57 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.40 3kc4 h ARG 31 CO 0.11 0.84 0.00 0.25 0.00 0.00 0.00 179.97 181.18 3kc4 n THR 32 N -4.39 0.54 -4.75 2.04 -2.24 -0.71 -4.92 114.28 99.85 3kc4 n THR 32 Ca 0.04 -0.72 -0.33 0.00 -2.27 0.00 0.00 64.05 60.76 3kc4 n THR 32 Cb 0.21 0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 69.13 3kc4 n THR 32 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kc4 s GLY 33 N -0.54 3.05 -0.02 3.38 0.00 -0.53 -4.13 107.32 108.53 3kc4 s GLY 33 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.50 3kc4 s GLY 33 CO 0.00 -2.16 0.90 0.00 0.00 0.00 0.00 173.10 171.84 3kc4 n ALA 34 N -1.26 1.80 -2.88 3.20 0.00 -1.24 -4.64 120.51 115.49 3kc4 n ALA 34 Ca -0.19 -1.14 -0.09 0.00 0.00 0.00 0.00 53.44 52.02 3kc4 n ALA 34 Cb 0.67 -0.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 3kc4 n ALA 34 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3kc4 s GLN 35 N -0.99 0.36 -0.09 0.00 1.11 -1.15 -5.01 119.66 113.89 3kc4 s GLN 35 Ca 0.05 -0.67 -0.01 0.00 0.01 0.00 0.00 55.36 54.74 3kc4 s GLN 35 Cb 0.05 0.13 0.03 0.00 -1.01 0.00 0.00 33.01 32.20 3kc4 s GLN 35 CO 0.00 -0.06 -0.03 0.14 0.01 0.00 0.00 175.29 175.35 3kc4 s VAL 36 N -1.76 0.64 -0.02 1.09 -7.23 -1.26 -4.61 120.40 107.25 3kc4 s VAL 36 Ca -0.13 -0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.00 3kc4 s VAL 36 Cb -0.08 -0.74 0.02 0.00 0.56 0.00 0.00 36.38 36.14 3kc4 s VAL 36 CO -0.02 0.30 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.93 3kc4 s ARG 37 N 1.86 0.31 0.14 4.82 0.52 -1.26 -5.06 118.95 120.28 3kc4 s ARG 37 Ca 0.05 -0.00 -0.02 0.00 -0.52 0.00 0.00 55.73 55.23 3kc4 s ARG 37 Cb -0.12 -0.42 0.03 0.00 0.52 0.00 0.00 34.95 34.96 3kc4 s ARG 37 CO -0.06 -0.06 0.15 0.41 0.02 0.00 0.00 175.30 175.75 3kc4 n GLY 38 N 3.72 -1.90 3.55 -3.53 0.00 -1.26 -4.77 105.19 101.01 3kc4 n GLY 38 Ca -0.22 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3kc4 n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kc4 s PRO 39 N -3.32 3.54 -0.23 1.61 0.04 -1.26 -4.78 135.00 130.59 3kc4 s PRO 39 Ca 0.09 -0.08 -0.18 0.00 0.04 0.00 0.00 61.00 60.87 3kc4 s PRO 39 Cb -0.01 -3.86 -0.03 0.00 0.04 0.00 0.00 34.50 30.64 3kc4 s PRO 39 CO 0.07 -0.85 0.49 0.42 0.04 0.00 0.00 177.00 177.16 3kc4 s ILE 40 N 2.80 5.11 -0.13 0.56 1.01 -0.91 -4.84 121.20 124.81 3kc4 s ILE 40 Ca 0.24 0.87 -0.07 0.00 0.00 0.00 0.00 60.65 61.70 3kc4 s ILE 40 Cb -0.14 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3kc4 s ILE 40 CO 0.17 0.15 -0.03 1.55 0.00 0.00 0.00 174.94 176.78 3kc4 h PRO 41 N 7.69 0.00 -2.37 2.79 0.13 -1.93 -0.91 132.00 137.41 3kc4 h PRO 41 Ca -0.32 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.96 3kc4 h PRO 41 Cb 1.15 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.20 3kc4 h PRO 41 CO 0.72 0.10 -0.78 1.28 -0.23 0.00 0.00 178.00 179.10 3kc4 n LEU 42 N -4.68 -0.83 -4.15 1.56 4.32 -1.26 -0.42 117.00 111.53 3kc4 n LEU 42 Ca -0.05 1.70 -0.35 0.00 -0.02 0.00 0.00 56.01 57.28 3kc4 n LEU 42 Cb 0.18 -1.91 0.11 0.00 -1.62 0.00 0.00 43.42 40.18 3kc4 n LEU 42 CO 0.07 -1.11 -1.25 -2.65 -1.22 0.00 0.00 177.39 171.24 3kc4 n PRO 43 N -3.09 -0.85 -3.86 3.23 -0.02 -1.26 -4.73 135.00 124.40 3kc4 n PRO 43 Ca -0.04 -0.24 -0.12 0.00 -2.02 0.00 0.00 63.50 61.08 3kc4 n PRO 43 Cb 0.41 -1.38 -0.13 0.00 -0.02 0.00 0.00 33.50 32.38 3kc4 n PRO 43 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kc4 s THR 44 N -2.13 0.02 -0.13 3.45 2.01 -1.26 -4.71 115.64 112.89 3kc4 s THR 44 Ca 0.47 -0.18 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 3kc4 s THR 44 Cb -0.02 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.28 3kc4 s THR 44 CO 0.67 -0.10 0.50 -0.13 -0.69 0.00 0.00 174.62 174.86 3kc4 s ARG 45 N -0.29 4.32 0.41 4.92 0.52 -1.26 -5.00 118.95 122.57 3kc4 s ARG 45 Ca -0.03 0.46 0.04 0.00 -0.52 0.00 0.00 55.73 55.68 3kc4 s ARG 45 Cb -0.02 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 3kc4 s ARG 45 CO 0.00 0.10 0.05 0.15 0.02 0.00 0.00 175.30 175.62 3kc4 s LYS 46 N 0.82 1.92 0.22 3.54 1.02 -1.26 -4.05 119.74 121.94 3kc4 s LYS 46 Ca 0.26 -2.14 0.02 0.00 0.02 0.00 0.00 55.97 54.13 3kc4 s LYS 46 Cb -0.15 -1.11 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 3kc4 s LYS 46 CO 0.10 -0.28 0.05 -1.21 -0.92 0.00 0.00 175.35 173.09 3kc4 s GLU 47 N -3.81 1.27 0.00 1.68 8.01 -0.40 -4.91 118.70 120.54 3kc4 s GLU 47 Ca 0.25 -1.65 0.00 0.00 0.01 0.00 0.00 54.97 53.58 3kc4 s GLU 47 Cb 0.06 -0.28 0.00 0.00 -4.31 0.00 0.00 34.13 29.60 3kc4 s GLU 47 CO 0.13 -0.21 0.00 2.89 0.01 0.00 0.00 175.26 178.08 3kc4 n ARG 48 N -0.36 0.00 -3.63 1.61 1.85 -1.26 -2.72 116.66 112.15 3kc4 n ARG 48 Ca -0.03 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.63 3kc4 n ARG 48 Cb 0.65 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 32.01 3kc4 n ARG 48 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3kc4 n PHE 49 N 0.00 0.40 -3.70 2.89 3.72 -1.26 -5.01 117.46 114.50 3kc4 n PHE 49 Ca 0.00 -1.65 -0.15 0.00 -0.05 0.00 0.00 57.45 55.59 3kc4 n PHE 49 Cb 0.00 -0.10 -0.15 0.00 -0.94 0.00 0.00 39.48 38.29 3kc4 n PHE 49 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3kc4 s THR 50 N -2.37 -0.18 0.39 4.37 2.01 -1.26 -3.09 115.64 115.52 3kc4 s THR 50 Ca 0.07 0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.40 3kc4 s THR 50 Cb 0.00 -0.28 -0.07 0.00 0.01 0.00 0.00 72.50 72.17 3kc4 s THR 50 CO 0.05 0.12 0.03 0.68 -0.69 0.00 0.00 174.62 174.81 3kc4 s VAL 51 N 1.82 1.61 -0.20 3.82 -7.23 -1.26 -4.94 120.40 114.03 3kc4 s VAL 51 Ca -0.02 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 57.96 3kc4 s VAL 51 Cb -0.12 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 3kc4 s VAL 51 CO -0.06 0.00 0.54 -0.22 -0.31 0.00 0.00 175.10 175.05 3kc4 s LEU 52 N -3.65 4.15 0.00 1.32 2.96 -1.26 -3.55 118.68 118.64 3kc4 s LEU 52 Ca 0.32 0.71 0.23 0.00 -0.22 0.00 0.00 54.13 55.17 3kc4 s LEU 52 Cb 0.08 -2.74 0.08 0.00 0.50 0.00 0.00 46.19 44.12 3kc4 s LEU 52 CO 0.16 -0.19 1.15 0.00 -1.32 0.00 0.00 176.35 176.14 3kc4 n ILE 53 N 4.54 0.00 -2.16 6.68 3.06 -1.19 -4.94 119.36 125.35 3kc4 n ILE 53 Ca -0.04 -0.25 -0.37 0.00 -2.50 0.00 0.00 62.75 59.58 3kc4 n ILE 53 Cb 0.50 1.17 0.00 0.00 0.54 0.00 0.00 39.64 41.85 3kc4 n ILE 53 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 3kc4 s SER 54 N -2.47 5.97 0.12 9.51 0.15 -1.26 -4.95 113.70 120.78 3kc4 s SER 54 Ca 0.19 2.40 -0.12 0.00 0.70 0.00 0.00 55.95 59.12 3kc4 s SER 54 Cb 0.18 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.80 3kc4 s SER 54 CO 0.56 -1.06 1.41 1.55 1.20 0.00 0.00 173.24 176.91 3kc4 h PRO 55 N 1.91 0.87 -2.17 5.44 0.13 -1.98 -3.46 132.00 132.74 3kc4 h PRO 55 Ca -0.50 -0.53 -0.07 0.00 -0.87 0.00 0.00 66.00 64.03 3kc4 h PRO 55 Cb 1.26 0.05 -0.19 0.00 0.13 0.00 0.00 31.00 32.25 3kc4 h PRO 55 CO 0.59 1.17 0.10 -1.58 -0.23 0.00 0.00 178.00 178.06 3kc4 s HIS 56 N -4.19 -0.60 0.00 1.56 5.65 -1.26 -5.12 115.29 111.33 3kc4 s HIS 56 Ca -0.11 1.08 0.00 0.00 0.25 0.00 0.00 55.06 56.28 3kc4 s HIS 56 Cb 0.10 0.34 0.00 0.00 -1.18 0.00 0.00 32.58 31.84 3kc4 s HIS 56 CO 0.88 -0.54 0.00 1.55 -0.65 0.00 0.00 174.74 175.98 3kc4 n VAL 57 N 1.19 0.00 -1.05 0.89 3.14 -1.26 -5.06 118.33 116.18 3kc4 n VAL 57 Ca -0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 3kc4 n VAL 57 Cb 0.57 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.35 3kc4 n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3kc4 n ASN 58 N -3.46 -5.67 0.00 6.55 3.02 -1.26 -4.74 115.26 109.71 3kc4 n ASN 58 Ca 0.00 1.26 0.00 0.00 -0.03 0.00 0.00 54.58 55.81 3kc4 n ASN 58 Cb 0.00 -3.08 0.00 0.00 -0.61 0.00 0.00 39.78 36.09 3kc4 n ASN 58 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kc4 n LYS 59 N -2.27 0.00 -0.53 3.52 4.76 -1.26 -4.81 118.16 117.58 3kc4 n LYS 59 Ca -0.00 -0.16 0.06 0.00 -2.87 0.00 0.00 58.31 55.34 3kc4 n LYS 59 Cb 0.33 -0.17 0.27 0.00 -1.84 0.00 0.00 35.03 33.62 3kc4 n LYS 59 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kc4 n ASP 60 N 0.00 3.91 0.00 4.39 8.00 -1.26 -4.10 116.55 127.49 3kc4 n ASP 60 Ca 0.00 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 53.05 3kc4 n ASP 60 Cb 0.49 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 3kc4 n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kc4 n ALA 61 N 0.65 2.09 -1.77 2.24 0.00 -1.26 -5.02 120.51 117.44 3kc4 n ALA 61 Ca 0.19 -0.86 -0.39 0.00 0.00 0.00 0.00 53.44 52.39 3kc4 n ALA 61 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.20 3kc4 n ALA 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kc4 s ARG 62 N -0.72 4.30 -0.04 0.00 1.81 -1.26 -3.15 118.95 119.89 3kc4 s ARG 62 Ca 0.00 1.80 -0.19 0.00 -1.72 0.00 0.00 55.73 55.62 3kc4 s ARG 62 Cb 0.00 -2.86 0.04 0.00 -0.45 0.00 0.00 34.95 31.68 3kc4 s ARG 62 CO 0.00 -0.09 0.41 0.34 -0.68 0.00 0.00 175.30 175.28 3kc4 s ASP 63 N -1.07 -0.33 -0.22 0.23 2.15 -1.23 -5.03 116.67 111.17 3kc4 s ASP 63 Ca 0.52 0.34 -0.09 0.00 0.43 0.00 0.00 52.55 53.75 3kc4 s ASP 63 Cb -0.30 0.45 -0.04 0.00 -0.30 0.00 0.00 42.92 42.72 3kc4 s ASP 63 CO 0.39 -0.44 0.10 -1.58 -0.17 0.00 0.00 175.17 173.47 3kc4 s GLN 64 N -1.08 3.98 0.29 4.34 0.74 -1.26 -4.01 119.66 122.65 3kc4 s GLN 64 Ca -0.11 -0.33 0.11 0.00 0.05 0.00 0.00 55.36 55.08 3kc4 s GLN 64 Cb -0.04 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.66 3kc4 s GLN 64 CO 0.05 0.13 -0.09 0.71 -0.55 0.00 0.00 175.29 175.53 3kc4 s TYR 65 N 0.81 2.48 0.17 1.67 1.51 -1.18 -5.07 117.35 117.75 3kc4 s TYR 65 Ca 0.05 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 3kc4 s TYR 65 Cb -0.13 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 3kc4 s TYR 65 CO 0.02 0.64 0.03 -1.83 -1.11 0.00 0.00 175.55 173.31 3kc4 s GLU 66 N -3.61 1.09 0.00 -0.62 -1.05 -1.26 -4.03 118.70 109.22 3kc4 s GLU 66 Ca 0.31 -1.53 0.00 0.00 -0.15 0.00 0.00 54.97 53.60 3kc4 s GLU 66 Cb -0.04 -0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.56 3kc4 s GLU 66 CO 0.18 -0.20 0.00 1.51 0.95 0.00 0.00 175.26 177.70 3kc4 n ILE 67 N -0.22 0.00 -5.12 1.83 3.06 -1.10 -4.96 119.36 112.85 3kc4 n ILE 67 Ca -0.05 0.00 -0.32 0.00 -2.50 0.00 0.00 62.75 59.88 3kc4 n ILE 67 Cb 0.64 0.00 -0.15 0.00 0.54 0.00 0.00 39.64 40.67 3kc4 n ILE 67 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kc4 s ARG 68 N 0.00 2.29 -0.36 9.51 1.70 -1.26 -1.28 118.95 129.55 3kc4 s ARG 68 Ca 0.00 -0.83 -0.10 0.00 -0.47 0.00 0.00 55.73 54.33 3kc4 s ARG 68 Cb 0.00 -2.19 0.02 0.00 -0.57 0.00 0.00 34.95 32.21 3kc4 s ARG 68 CO 0.00 0.58 0.19 0.99 -1.08 0.00 0.00 175.30 175.98 3kc4 s THR 69 N -0.65 4.54 0.53 4.99 2.01 -1.26 -4.80 115.64 121.00 3kc4 s THR 69 Ca 0.10 -0.79 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 3kc4 s THR 69 Cb -0.10 -3.49 -0.07 0.00 0.01 0.00 0.00 72.50 68.85 3kc4 s THR 69 CO -0.00 -0.17 1.08 1.41 -0.69 0.00 0.00 174.62 176.24 3kc4 n HIS 70 N 4.98 1.30 -3.53 4.92 -0.00 -0.81 -4.51 115.22 117.57 3kc4 n HIS 70 Ca -0.12 0.47 -0.29 0.00 -0.00 0.00 0.00 57.72 57.78 3kc4 n HIS 70 Cb 0.47 -2.22 -0.14 0.00 -0.00 0.00 0.00 29.99 28.09 3kc4 n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3kc4 s LEU 71 N -1.90 0.91 -0.16 2.41 1.43 -1.26 -2.54 118.68 117.56 3kc4 s LEU 71 Ca 0.71 -1.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.05 3kc4 s LEU 71 Cb -0.46 -0.43 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 3kc4 s LEU 71 CO 0.51 -0.38 0.00 -0.13 0.23 0.00 0.00 176.35 176.58 3kc4 s ARG 72 N 1.61 3.78 0.12 1.70 0.52 -1.19 -4.43 118.95 121.07 3kc4 s ARG 72 Ca 0.13 -0.44 -0.27 0.00 -0.52 0.00 0.00 55.73 54.63 3kc4 s ARG 72 Cb -0.19 -3.03 -0.06 0.00 0.52 0.00 0.00 34.95 32.19 3kc4 s ARG 72 CO -0.20 0.27 1.63 1.25 0.02 0.00 0.00 175.30 178.26 3kc4 h LEU 73 N 6.65 -0.85 0.00 2.53 5.85 -0.65 -3.11 115.31 125.72 3kc4 h LEU 73 Ca -0.34 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3kc4 h LEU 73 Cb 1.18 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.55 3kc4 h LEU 73 CO 0.66 -0.36 0.00 0.52 -0.34 0.00 0.00 178.44 178.92 3kc4 n VAL 74 N -5.39 0.00 -1.69 1.05 0.31 -0.35 -3.79 118.33 108.46 3kc4 n VAL 74 Ca -0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3kc4 n VAL 74 Cb 0.31 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3kc4 n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3kc4 n ASP 75 N 6.55 -4.85 -3.87 4.52 2.03 -1.26 -2.14 116.55 117.53 3kc4 n ASP 75 Ca 0.00 0.83 -0.29 0.00 0.52 0.00 0.00 54.79 55.86 3kc4 n ASP 75 Cb 0.00 -2.98 -0.16 0.00 -0.72 0.00 0.00 41.12 37.26 3kc4 n ASP 75 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3kc4 s ILE 76 N -0.29 1.09 0.21 5.18 1.01 -1.10 -4.71 121.20 122.60 3kc4 s ILE 76 Ca -0.02 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 3kc4 s ILE 76 Cb 0.00 -1.37 -0.09 0.00 0.01 0.00 0.00 42.46 41.01 3kc4 s ILE 76 CO 0.06 -0.01 1.33 -0.69 0.00 0.00 0.00 174.94 175.63 3kc4 s VAL 77 N 1.62 3.10 -0.35 2.92 1.01 -1.24 -4.22 120.40 123.24 3kc4 s VAL 77 Ca -0.02 0.92 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 3kc4 s VAL 77 Cb -0.17 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.75 3kc4 s VAL 77 CO -0.07 0.14 0.18 -1.61 0.00 0.00 0.00 175.10 173.74 3kc4 s GLU 78 N -0.21 0.69 -0.01 2.72 2.02 -1.26 -2.95 118.70 119.70 3kc4 s GLU 78 Ca 0.57 -1.28 0.16 0.00 0.02 0.00 0.00 54.97 54.43 3kc4 s GLU 78 Cb -0.37 -1.67 0.46 0.00 0.10 0.00 0.00 34.13 32.65 3kc4 s GLU 78 CO 0.39 -1.11 1.38 -0.35 0.02 0.00 0.00 175.26 175.59 3kc4 n PRO 79 N 4.33 2.27 -4.16 0.39 -0.04 -1.26 -4.83 135.00 131.71 3kc4 n PRO 79 Ca 0.05 -1.87 -0.31 0.00 -0.04 0.00 0.00 63.50 61.32 3kc4 n PRO 79 Cb 0.38 -1.43 -0.08 0.00 -0.04 0.00 0.00 33.50 32.33 3kc4 n PRO 79 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3kc4 s THR 80 N -1.36 4.16 0.64 0.52 2.01 -1.26 -4.98 115.64 115.37 3kc4 s THR 80 Ca 0.35 -0.83 -0.15 0.00 0.31 0.00 0.00 61.69 61.37 3kc4 s THR 80 Cb 0.19 -2.95 -0.13 0.00 0.01 0.00 0.00 72.50 69.62 3kc4 s THR 80 CO 0.23 0.20 -0.41 -1.84 -0.69 0.00 0.00 174.62 172.11 3kc4 n GLU 81 N 0.79 0.00 -3.64 4.92 0.28 -1.26 -4.26 120.64 117.47 3kc4 n GLU 81 Ca -0.11 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.60 3kc4 n GLU 81 Cb 0.52 -0.84 0.04 0.00 1.43 0.00 0.00 31.44 32.59 3kc4 n GLU 81 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3kc4 n LYS 82 N 1.70 -1.27 0.28 3.44 5.02 -1.26 -4.51 118.16 121.57 3kc4 n LYS 82 Ca 0.02 0.55 0.14 0.00 -2.02 0.00 0.00 58.31 57.00 3kc4 n LYS 82 Cb 0.43 -4.17 0.81 0.00 -0.02 0.00 0.00 35.03 32.08 3kc4 n LYS 82 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3kc4 h THR 83 N -1.65 0.49 -0.81 -0.18 1.35 -1.77 -2.88 112.91 107.45 3kc4 h THR 83 Ca -0.62 -0.37 0.11 0.00 -0.55 0.00 0.00 66.41 64.97 3kc4 h THR 83 Cb 1.34 1.25 -0.06 0.00 -1.73 0.00 0.00 68.15 68.95 3kc4 h THR 83 CO 0.46 0.08 0.53 0.58 -0.25 0.00 0.00 175.52 176.92 3kc4 h VAL 84 N 0.00 0.91 0.00 6.82 2.07 -1.93 -2.25 116.25 121.87 3kc4 h VAL 84 Ca -0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3kc4 h VAL 84 Cb 0.24 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3kc4 h VAL 84 CO 0.01 0.13 0.00 0.47 0.02 0.00 0.00 177.57 178.20 3kc4 n ASP 85 N -4.52 0.00 0.17 0.57 8.00 -1.09 -2.36 116.55 117.33 3kc4 n ASP 85 Ca 0.14 0.64 0.11 0.00 0.71 0.00 0.00 54.79 56.40 3kc4 n ASP 85 Cb 0.37 -0.14 0.61 0.00 -0.02 0.00 0.00 41.12 41.94 3kc4 n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kc4 h ALA 86 N -1.86 1.01 0.21 2.24 0.00 -1.78 -2.41 119.26 116.67 3kc4 h ALA 86 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kc4 h ALA 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kc4 h ALA 86 CO 0.00 -0.01 -0.10 1.25 0.00 0.00 0.00 179.25 180.39 3kc4 h LEU 87 N 0.00 -0.23 0.00 0.00 5.85 -1.06 -3.44 115.31 116.43 3kc4 h LEU 87 Ca 0.00 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3kc4 h LEU 87 Cb 0.04 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3kc4 h LEU 87 CO 0.00 0.28 -0.54 1.15 -0.34 0.00 0.00 178.44 178.99 3kc4 n MET 88 N -4.97 1.01 -0.20 1.25 0.00 -1.00 -4.83 117.12 108.39 3kc4 n MET 88 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 57.70 57.62 3kc4 n MET 88 Cb 0.26 -0.77 0.23 0.00 0.00 0.00 0.00 33.22 32.93 3kc4 n MET 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kc4 h ARG 89 N 0.00 0.96 0.00 3.17 3.08 -1.50 -2.25 114.38 117.84 3kc4 h ARG 89 Ca 0.00 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3kc4 h ARG 89 Cb 0.54 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3kc4 h ARG 89 CO 0.00 0.68 -0.28 1.28 -1.07 0.00 0.00 179.97 180.58 3kc4 n LEU 90 N -4.39 2.47 -1.14 3.04 4.77 -1.25 -4.50 117.00 116.01 3kc4 n LEU 90 Ca 0.07 -3.46 0.11 0.00 -0.03 0.00 0.00 56.01 52.71 3kc4 n LEU 90 Cb 0.08 -0.47 0.27 0.00 -2.33 0.00 0.00 43.42 40.97 3kc4 n LEU 90 CO 0.37 1.06 0.73 0.47 -1.33 0.00 0.00 177.39 178.69 3kc4 n ASP 91 N -1.22 3.34 -1.93 -1.43 8.00 -0.85 -4.54 116.55 117.92 3kc4 n ASP 91 Ca 0.17 -1.97 0.01 0.00 0.71 0.00 0.00 54.79 53.71 3kc4 n ASP 91 Cb 0.68 -0.34 0.36 0.00 -0.02 0.00 0.00 41.12 41.80 3kc4 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kc4 n LEU 92 N 1.35 5.90 -0.28 0.64 -0.00 -1.25 -4.24 117.00 119.12 3kc4 n LEU 92 Ca 0.21 -3.07 0.03 0.00 -0.00 0.00 0.00 56.01 53.18 3kc4 n LEU 92 Cb 0.55 -0.71 0.07 0.00 -0.00 0.00 0.00 43.42 43.33 3kc4 n LEU 92 CO 0.15 0.71 0.56 0.00 -0.00 0.00 0.00 177.39 178.81 3kc4 n ALA 93 N 0.27 2.11 -2.15 1.47 0.00 -1.26 -5.02 120.51 115.93 3kc4 n ALA 93 Ca 0.34 -1.15 -0.09 0.00 0.00 0.00 0.00 53.44 52.53 3kc4 n ALA 93 Cb 1.28 -0.21 -0.10 0.00 0.00 0.00 0.00 19.45 20.43 3kc4 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc4 s ALA 94 N -1.11 0.84 -2.12 0.00 0.00 -1.26 -5.01 121.76 113.09 3kc4 s ALA 94 Ca 0.12 -1.44 0.22 0.00 0.00 0.00 0.00 51.96 50.85 3kc4 s ALA 94 Cb 0.07 0.75 1.09 0.00 0.00 0.00 0.00 23.12 25.02 3kc4 s ALA 94 CO 0.07 -0.46 1.73 0.41 0.00 0.00 0.00 175.76 177.51 3kc4 n GLY 95 N -0.07 -0.53 3.75 0.00 0.00 -1.26 -4.90 105.19 102.18 3kc4 n GLY 95 Ca -0.07 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 3kc4 n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kc4 s VAL 96 N -1.94 2.27 -0.06 1.61 -7.23 -1.26 -5.00 120.40 108.79 3kc4 s VAL 96 Ca 0.32 0.19 -0.31 0.00 -1.81 0.00 0.00 61.98 60.38 3kc4 s VAL 96 Cb 0.16 -3.09 -0.09 0.00 0.56 0.00 0.00 36.38 33.92 3kc4 s VAL 96 CO 0.26 -0.01 2.02 -0.67 -0.31 0.00 0.00 175.10 176.39 3kc4 n ASP 97 N -1.13 3.77 -4.69 4.85 -0.08 -1.23 -4.99 116.55 113.05 3kc4 n ASP 97 Ca 0.11 0.75 -0.38 0.00 -1.51 0.00 0.00 54.79 53.75 3kc4 n ASP 97 Cb 0.46 -1.49 -0.07 0.00 2.34 0.00 0.00 41.12 42.36 3kc4 n ASP 97 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3kc4 s VAL 98 N 5.33 5.17 -0.12 5.18 1.01 -1.26 -2.94 120.40 132.77 3kc4 s VAL 98 Ca 0.93 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.75 3kc4 s VAL 98 Cb -0.48 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.15 3kc4 s VAL 98 CO 0.43 0.26 -0.03 -1.58 0.00 0.00 0.00 175.10 174.18 3kc4 s GLN 99 N 1.16 1.07 0.00 2.72 2.00 -0.93 -4.98 119.66 120.69 3kc4 s GLN 99 Ca 0.23 -0.18 0.23 0.00 -2.00 0.00 0.00 55.36 53.63 3kc4 s GLN 99 Cb -0.15 -1.49 0.06 0.00 0.80 0.00 0.00 33.01 32.23 3kc4 s GLN 99 CO 0.09 -0.35 1.12 0.44 -0.50 0.00 0.00 175.29 176.08 3kc4 n ILE 100 N 5.02 0.00 -2.04 -2.34 -5.35 -1.26 0.27 119.36 113.66 3kc4 n ILE 100 Ca -0.10 -0.15 -0.37 0.00 -0.27 0.00 0.00 62.75 61.86 3kc4 n ILE 100 Cb 0.49 1.01 0.02 0.00 -1.74 0.00 0.00 39.64 39.42 3kc4 n ILE 100 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3kc4 s SER 101 N -2.67 5.63 0.00 7.28 0.01 -1.26 -4.59 113.70 118.10 3kc4 s SER 101 Ca 0.16 2.48 0.29 0.00 1.31 0.00 0.00 55.95 60.18 3kc4 s SER 101 Cb 0.18 -2.61 1.18 0.00 0.21 0.00 0.00 66.02 64.98 3kc4 s SER 101 CO 0.66 -1.30 1.82 0.18 0.41 0.00 0.00 173.24 175.01