#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 n ARG 2 N 0.00 0.73 -1.84 0.00 1.85 -1.26 -5.13 116.66 111.02 3kc4 n ARG 2 Ca 0.00 -2.25 -0.37 0.00 -1.00 0.00 0.00 57.85 54.23 3kc4 n ARG 2 Cb 0.00 2.35 0.05 0.00 -1.05 0.00 0.00 32.46 33.81 3kc4 n ARG 2 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 3kc4 s TYR 3 N -3.20 2.22 -0.24 2.89 5.04 -1.26 -5.06 117.35 117.75 3kc4 s TYR 3 Ca 0.21 1.47 -0.03 0.00 -2.44 0.00 0.00 57.07 56.28 3kc4 s TYR 3 Cb -0.02 -3.66 0.11 0.00 0.35 0.00 0.00 41.96 38.74 3kc4 s TYR 3 CO 0.15 -2.71 0.26 -1.17 -1.34 0.00 0.00 175.55 170.74 3kc4 s LEU 4 N -4.06 -0.18 0.00 6.97 2.96 -1.26 -5.15 118.68 117.96 3kc4 s LEU 4 Ca 0.78 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 3kc4 s LEU 4 Cb -0.36 0.48 0.00 0.00 0.50 0.00 0.00 46.19 46.81 3kc4 s LEU 4 CO 0.40 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.69 3kc4 n GLY 5 N 5.32 -0.46 3.48 7.98 0.00 -1.26 -5.08 105.19 115.18 3kc4 n GLY 5 Ca -0.04 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 3kc4 n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kc4 s PRO 6 N -1.67 3.20 0.00 1.61 0.04 -1.26 -5.00 135.00 131.93 3kc4 s PRO 6 Ca 0.00 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 60.41 3kc4 s PRO 6 Cb 0.00 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.50 3kc4 s PRO 6 CO 0.00 -1.19 0.13 1.63 0.04 0.00 0.00 177.00 177.61 3kc4 n LYS 7 N 6.39 0.00 -0.23 4.56 5.02 -1.26 -2.73 118.16 129.91 3kc4 n LYS 7 Ca -0.04 0.13 0.28 0.00 -2.02 0.00 0.00 58.31 56.66 3kc4 n LYS 7 Cb 0.46 -0.49 0.68 0.00 -0.02 0.00 0.00 35.03 35.66 3kc4 n LYS 7 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3kc4 h LEU 8 N 0.00 0.11 -1.45 -0.35 7.12 -1.93 -3.20 115.31 115.61 3kc4 h LEU 8 Ca 0.00 0.02 0.22 0.00 0.13 0.00 0.00 57.88 58.24 3kc4 h LEU 8 Cb 0.00 -0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.05 3kc4 h LEU 8 CO 0.00 0.03 0.62 0.50 -0.13 0.00 0.00 178.44 179.46 3kc4 h LYS 9 N 0.10 0.42 -0.40 1.25 3.64 -1.89 -1.94 116.57 117.75 3kc4 h LYS 9 Ca 0.48 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 3kc4 h LYS 9 Cb 1.73 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.44 3kc4 h LYS 9 CO -0.06 0.28 0.15 -0.07 -2.27 0.00 0.00 179.45 177.48 3kc4 h LEU 10 N 0.43 0.55 -0.81 5.20 3.38 -1.71 -3.21 115.31 119.14 3kc4 h LEU 10 Ca 0.51 -0.17 0.19 0.00 0.09 0.00 0.00 57.88 58.50 3kc4 h LEU 10 Cb 1.24 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 3kc4 h LEU 10 CO -0.21 0.58 0.22 0.28 0.09 0.00 0.00 178.44 179.39 3kc4 h SER 11 N 0.50 0.03 -0.86 -0.43 0.02 -1.56 -2.95 113.55 108.30 3kc4 h SER 11 Ca 0.13 0.17 0.22 0.00 -0.84 0.00 0.00 61.79 61.47 3kc4 h SER 11 Cb 0.20 0.22 -0.15 0.00 0.14 0.00 0.00 62.40 62.81 3kc4 h SER 11 CO -0.01 -0.08 0.13 0.03 -1.14 0.00 0.00 176.83 175.76 3kc4 h ARG 12 N 0.26 0.14 0.00 3.45 3.08 -1.64 -2.51 114.38 117.15 3kc4 h ARG 12 Ca 0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.52 3kc4 h ARG 12 Cb 0.90 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3kc4 h ARG 12 CO -0.57 0.09 -1.33 -2.13 -1.07 0.00 0.00 179.97 174.95 3kc4 n ARG 13 N -5.31 1.07 0.05 0.04 0.63 -1.12 -1.21 116.66 110.80 3kc4 n ARG 13 Ca 0.19 -0.09 -0.02 0.00 -0.92 0.00 0.00 57.85 57.02 3kc4 n ARG 13 Cb 0.63 -1.30 0.25 0.00 0.45 0.00 0.00 32.46 32.49 3kc4 n ARG 13 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3kc4 h GLU 14 N 0.00 0.39 0.00 -0.14 4.57 -1.39 -3.47 114.58 114.54 3kc4 h GLU 14 Ca 0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3kc4 h GLU 14 Cb 0.57 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3kc4 h GLU 14 CO 0.00 0.61 0.00 0.41 -1.18 0.00 0.00 179.01 178.85 3kc4 n GLY 15 N -0.48 0.70 3.11 1.92 0.00 -1.02 -4.86 105.19 104.56 3kc4 n GLY 15 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3kc4 n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kc4 s THR 16 N -2.00 0.40 -0.09 2.61 -4.23 -1.23 -5.06 115.64 106.04 3kc4 s THR 16 Ca 0.00 -1.74 0.14 0.00 -1.18 0.00 0.00 61.69 58.91 3kc4 s THR 16 Cb 0.00 -1.42 -0.08 0.00 1.34 0.00 0.00 72.50 72.34 3kc4 s THR 16 CO 0.00 -0.87 1.14 -2.24 -0.54 0.00 0.00 174.62 172.10 3kc4 h ASP 17 N 3.29 0.00 -0.22 3.99 3.04 -1.98 -3.40 116.42 121.13 3kc4 h ASP 17 Ca -0.34 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.35 3kc4 h ASP 17 Cb 1.16 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.41 3kc4 h ASP 17 CO 0.62 0.66 -0.09 0.18 -2.04 0.00 0.00 179.24 178.57 3kc4 n LEU 18 N -3.12 0.16 -1.90 0.15 4.77 -1.26 -3.20 117.00 112.60 3kc4 n LEU 18 Ca -0.04 0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 3kc4 n LEU 18 Cb 0.83 -2.03 0.03 0.00 -2.33 0.00 0.00 43.42 39.93 3kc4 n LEU 18 CO 0.43 -0.74 0.09 0.49 -1.33 0.00 0.00 177.39 176.33 3kc4 n PHE 19 N -2.37 -1.29 -4.96 -1.77 3.01 -1.26 -4.77 117.46 104.05 3kc4 n PHE 19 Ca -0.05 0.44 -0.28 0.00 1.01 0.00 0.00 57.45 58.57 3kc4 n PHE 19 Cb 0.40 -2.89 -0.16 0.00 -0.01 0.00 0.00 39.48 36.82 3kc4 n PHE 19 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3kc4 s LEU 20 N -3.92 1.93 -1.55 4.37 1.43 -1.19 -2.52 118.68 117.24 3kc4 s LEU 20 Ca 0.25 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 3kc4 s LEU 20 Cb -0.11 -1.13 0.09 0.00 0.03 0.00 0.00 46.19 45.07 3kc4 s LEU 20 CO 0.31 0.15 0.96 0.29 0.23 0.00 0.00 176.35 178.29 3kc4 n LYS 21 N 3.33 -5.28 -2.98 1.70 5.02 -1.26 -4.52 118.16 114.17 3kc4 n LYS 21 Ca -0.19 0.58 -0.41 0.00 -2.02 0.00 0.00 58.31 56.26 3kc4 n LYS 21 Cb 0.53 -5.44 -0.05 0.00 -0.02 0.00 0.00 35.03 30.05 3kc4 n LYS 21 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3kc4 s SER 22 N -3.34 6.76 0.00 4.39 0.01 -1.26 -3.92 113.70 116.34 3kc4 s SER 22 Ca 0.65 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.85 3kc4 s SER 22 Cb -0.33 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.50 3kc4 s SER 22 CO 0.84 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 174.67 3kc4 n GLY 23 N 3.83 -1.07 0.39 3.44 0.00 -1.26 -4.53 105.19 105.99 3kc4 n GLY 23 Ca 0.03 0.63 0.07 0.00 0.00 0.00 0.00 46.02 46.75 3kc4 n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kc4 n VAL 24 N 0.00 0.00 -3.47 1.61 0.24 -1.26 -4.95 118.33 110.50 3kc4 n VAL 24 Ca 0.00 -0.39 -0.20 0.00 -2.04 0.00 0.00 64.34 61.71 3kc4 n VAL 24 Cb 0.00 1.20 0.03 0.00 -1.47 0.00 0.00 33.84 33.60 3kc4 n VAL 24 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3kc4 n ARG 25 N 0.08 0.72 -0.65 7.34 1.74 -1.25 -4.88 116.66 119.76 3kc4 n ARG 25 Ca 0.07 -2.91 0.09 0.00 -0.77 0.00 0.00 57.85 54.32 3kc4 n ARG 25 Cb 0.31 0.07 -0.02 0.00 -1.02 0.00 0.00 32.46 31.81 3kc4 n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kc4 n ALA 26 N -2.19 -1.68 -3.03 7.54 0.00 -0.61 -4.58 120.51 115.97 3kc4 n ALA 26 Ca -0.14 0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 3kc4 n ALA 26 Cb 0.54 -0.58 0.05 0.00 0.00 0.00 0.00 19.45 19.46 3kc4 n ALA 26 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kc4 n ILE 27 N -2.87 -2.78 -1.34 0.00 5.41 -1.26 -2.75 119.36 113.77 3kc4 n ILE 27 Ca 0.00 -0.15 -0.08 0.00 1.00 0.00 0.00 62.75 63.52 3kc4 n ILE 27 Cb 0.30 -3.54 -0.03 0.00 -0.71 0.00 0.00 39.64 35.66 3kc4 n ILE 27 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kc4 n ASP 28 N -1.80 -3.81 -3.77 4.38 8.00 -1.26 -4.99 116.55 113.29 3kc4 n ASP 28 Ca -0.09 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.45 3kc4 n ASP 28 Cb 0.57 -2.14 -0.13 0.00 -0.02 0.00 0.00 41.12 39.40 3kc4 n ASP 28 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kc4 s THR 29 N -2.30 -0.03 -1.13 -3.53 2.01 -1.11 -4.80 115.64 104.75 3kc4 s THR 29 Ca 0.00 0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 3kc4 s THR 29 Cb 0.00 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.23 3kc4 s THR 29 CO 0.00 0.04 0.02 1.17 -0.69 0.00 0.00 174.62 175.16 3kc4 n LYS 30 N 3.71 -1.14 0.00 4.92 4.81 -1.26 -1.57 118.16 127.63 3kc4 n LYS 30 Ca -0.20 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 3kc4 n LYS 30 Cb 0.55 -4.87 0.00 0.00 0.02 0.00 0.00 35.03 30.73 3kc4 n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kc4 n LYS 32 N 0.00 -4.22 -3.21 0.00 5.02 -1.26 -4.94 118.16 109.56 3kc4 n LYS 32 Ca 0.00 0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 56.70 3kc4 n LYS 32 Cb 0.14 -5.63 -0.08 0.00 -0.02 0.00 0.00 35.03 29.44 3kc4 n LYS 32 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3kc4 s ILE 33 N -3.09 4.97 0.00 -0.18 2.07 -1.26 -2.93 121.20 120.77 3kc4 s ILE 33 Ca 0.28 0.29 0.00 0.00 -1.41 0.00 0.00 60.65 59.81 3kc4 s ILE 33 Cb -0.13 -4.02 0.00 0.00 0.13 0.00 0.00 42.46 38.44 3kc4 s ILE 33 CO 0.35 -0.30 0.00 -0.62 -1.91 0.00 0.00 174.94 172.46 3kc4 n GLU 34 N 5.85 0.00 0.00 3.50 1.02 -0.35 -4.51 120.64 126.15 3kc4 n GLU 34 Ca -0.04 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3kc4 n GLU 34 Cb 0.49 -3.46 0.00 0.00 -0.02 0.00 0.00 31.44 28.45 3kc4 n GLU 34 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3kc4 n GLN 35 N -1.10 1.66 -2.93 3.49 6.02 -1.24 -4.99 117.38 118.29 3kc4 n GLN 35 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 3kc4 n GLN 35 Cb 0.47 -0.39 0.00 0.00 1.02 0.00 0.00 30.24 31.34 3kc4 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kc4 s ALA 36 N -0.64 -4.20 -0.70 -1.58 0.00 -1.15 -5.02 121.76 108.47 3kc4 s ALA 36 Ca 0.00 1.26 0.23 0.00 0.00 0.00 0.00 51.96 53.46 3kc4 s ALA 36 Cb 0.00 -2.94 0.15 0.00 0.00 0.00 0.00 23.12 20.34 3kc4 s ALA 36 CO 0.00 -2.34 1.13 -2.30 0.00 0.00 0.00 175.76 172.25 3kc4 n PRO 37 N 4.24 0.22 0.00 0.00 -0.02 -1.25 -4.71 135.00 133.49 3kc4 n PRO 37 Ca 0.07 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3kc4 n PRO 37 Cb 0.61 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 3kc4 n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kc4 n GLY 38 N 1.39 2.68 0.00 -1.23 0.00 -1.06 -4.75 105.19 102.23 3kc4 n GLY 38 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3kc4 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc4 n GLN 39 N 0.00 1.78 -0.27 1.61 10.64 -1.26 -2.57 117.38 127.31 3kc4 n GLN 39 Ca 0.00 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.25 3kc4 n GLN 39 Cb 0.00 -0.68 0.16 0.00 -0.86 0.00 0.00 30.24 28.86 3kc4 n GLN 39 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3kc4 n HIS 40 N -0.96 0.00 -0.60 2.61 8.25 -1.26 -4.09 115.22 119.17 3kc4 n HIS 40 Ca 0.00 -1.14 0.00 0.00 -0.26 0.00 0.00 57.72 56.32 3kc4 n HIS 40 Cb 0.15 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.08 3kc4 n HIS 40 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kc4 n GLY 41 N -1.29 -0.15 0.34 -1.41 0.00 -1.26 -4.75 105.19 96.67 3kc4 n GLY 41 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 3kc4 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kc4 h ALA 42 N 0.00 1.15 0.00 4.61 0.00 -1.64 -2.80 119.26 120.57 3kc4 h ALA 42 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kc4 h ALA 42 Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kc4 h ALA 42 CO 0.00 0.63 0.00 0.54 0.00 0.00 0.00 179.25 180.42 3kc4 n ARG 43 N -4.30 0.00 -4.22 0.00 5.12 -1.26 -4.57 116.66 107.43 3kc4 n ARG 43 Ca 0.07 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.87 3kc4 n ARG 43 Cb 0.16 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.36 3kc4 n ARG 43 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3kc4 s LYS 44 N 0.00 1.02 0.12 5.56 -0.14 -1.26 -4.95 119.74 120.08 3kc4 s LYS 44 Ca 0.00 -1.47 -0.33 0.00 -1.36 0.00 0.00 55.97 52.81 3kc4 s LYS 44 Cb 0.00 -0.25 -0.18 0.00 -1.68 0.00 0.00 37.83 35.72 3kc4 s LYS 44 CO 0.00 -0.09 0.80 -2.30 -0.76 0.00 0.00 175.35 173.00 3kc4 n PRO 45 N -0.17 0.10 -0.13 -1.68 -0.02 -1.26 -4.96 135.00 126.88 3kc4 n PRO 45 Ca -0.08 0.04 0.07 0.00 -2.02 0.00 0.00 63.50 61.50 3kc4 n PRO 45 Cb 0.62 -1.28 0.09 0.00 -0.02 0.00 0.00 33.50 32.91 3kc4 n PRO 45 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3kc4 n ARG 46 N 1.26 1.28 -1.71 -0.52 1.85 -1.26 -5.08 116.66 112.48 3kc4 n ARG 46 Ca 0.18 -2.10 -0.42 0.00 -1.00 0.00 0.00 57.85 54.52 3kc4 n ARG 46 Cb 0.18 -1.23 -0.03 0.00 -1.05 0.00 0.00 32.46 30.33 3kc4 n ARG 46 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3kc4 n LEU 47 N -1.02 4.03 -4.94 2.89 4.77 -1.26 -4.96 117.00 116.51 3kc4 n LEU 47 Ca 0.11 1.03 -0.29 0.00 -0.03 0.00 0.00 56.01 56.82 3kc4 n LEU 47 Cb 0.59 -1.56 0.19 0.00 -2.33 0.00 0.00 43.42 40.31 3kc4 n LEU 47 CO 0.01 0.19 0.87 -0.44 -1.33 0.00 0.00 177.39 176.68 3kc4 s SER 48 N 1.91 3.02 0.22 -1.43 0.01 -1.26 -4.74 113.70 111.43 3kc4 s SER 48 Ca 0.78 0.16 -0.19 0.00 1.31 0.00 0.00 55.95 58.01 3kc4 s SER 48 Cb -0.49 -0.16 0.20 0.00 0.21 0.00 0.00 66.02 65.78 3kc4 s SER 48 CO 0.35 -2.78 1.55 -0.78 0.41 0.00 0.00 173.24 171.99 3kc4 h ASP 49 N -1.64 -1.47 -0.63 2.44 1.82 -2.00 0.26 116.42 115.20 3kc4 h ASP 49 Ca -0.44 0.30 0.05 0.00 -0.39 0.00 0.00 57.03 56.56 3kc4 h ASP 49 Cb 1.22 0.75 -0.05 0.00 0.68 0.00 0.00 39.33 41.94 3kc4 h ASP 49 CO 0.35 -0.29 0.35 1.88 -1.61 0.00 0.00 179.24 179.92 3kc4 h TYR 50 N -0.02 0.64 -0.79 0.28 -1.99 -2.00 -1.66 116.97 111.44 3kc4 h TYR 50 Ca 0.32 0.02 0.07 0.00 2.00 0.00 0.00 58.73 61.14 3kc4 h TYR 50 Cb 0.58 -0.20 -0.09 0.00 2.00 0.00 0.00 36.73 39.02 3kc4 h TYR 50 CO -0.86 0.32 -0.47 0.41 -0.00 0.00 0.00 178.16 177.56 3kc4 n GLY 51 N -1.28 -2.47 0.44 3.88 0.00 -0.69 -2.93 105.19 102.13 3kc4 n GLY 51 Ca 0.07 1.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.96 3kc4 n GLY 51 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kc4 h VAL 52 N 0.00 0.10 -0.92 1.61 2.07 0.00 -0.06 116.25 119.04 3kc4 h VAL 52 Ca 0.13 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.91 3kc4 h VAL 52 Cb 0.32 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 3kc4 h VAL 52 CO -0.74 0.00 0.74 1.56 0.02 0.00 0.00 177.57 179.15 3kc4 h GLN 53 N -0.71 0.00 0.03 1.57 4.20 -1.49 -2.51 115.11 116.21 3kc4 h GLN 53 Ca 0.01 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.39 3kc4 h GLN 53 Cb 0.72 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 3kc4 h GLN 53 CO -0.25 0.00 -1.85 1.28 -0.67 0.00 0.00 178.83 177.34 3kc4 n LEU 54 N -4.02 2.16 0.08 1.46 4.77 -0.85 -1.90 117.00 118.71 3kc4 n LEU 54 Ca 0.19 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.35 3kc4 n LEU 54 Cb 1.06 -0.96 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3kc4 n LEU 54 CO 0.36 0.54 0.80 -0.09 -1.33 0.00 0.00 177.39 177.67 3kc4 h ARG 55 N -0.67 -0.19 -0.93 3.23 9.65 -0.80 0.15 114.38 124.82 3kc4 h ARG 55 Ca -0.47 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.43 3kc4 h ARG 55 Cb 1.60 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 30.17 3kc4 h ARG 55 CO -0.19 -0.13 0.61 1.49 2.80 0.00 0.00 179.97 184.55 3kc4 h GLU 56 N -0.20 1.23 -0.57 0.20 4.57 -1.59 -0.22 114.58 118.00 3kc4 h GLU 56 Ca 0.01 -0.08 0.06 0.00 -1.18 0.00 0.00 59.36 58.17 3kc4 h GLU 56 Cb 0.20 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 3kc4 h GLU 56 CO -0.04 0.82 0.38 -0.22 -1.18 0.00 0.00 179.01 178.77 3kc4 h LYS 57 N 1.26 0.52 0.00 1.92 1.63 -0.78 -2.64 116.57 118.49 3kc4 h LYS 57 Ca 0.34 -0.03 -0.22 0.00 -0.85 0.00 0.00 60.65 59.89 3kc4 h LYS 57 Cb -0.13 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.34 3kc4 h LYS 57 CO -0.07 0.35 -1.27 1.96 -3.45 0.00 0.00 179.45 176.96 3kc4 h GLN 58 N 0.54 0.00 0.00 1.90 4.20 0.10 0.15 115.11 122.00 3kc4 h GLN 58 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3kc4 h GLN 58 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3kc4 h GLN 58 CO -0.07 0.59 0.00 1.63 -0.67 0.00 0.00 178.83 180.31 3kc4 n LYS 59 N -3.12 0.00 -0.28 1.46 5.02 -0.17 -2.11 118.16 118.95 3kc4 n LYS 59 Ca -0.08 0.76 0.05 0.00 -2.02 0.00 0.00 58.31 57.03 3kc4 n LYS 59 Cb 0.93 -1.47 0.20 0.00 -0.02 0.00 0.00 35.03 34.67 3kc4 n LYS 59 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3kc4 h VAL 60 N 0.00 0.75 0.00 -0.18 2.07 -1.44 0.84 116.25 118.29 3kc4 h VAL 60 Ca 0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3kc4 h VAL 60 Cb 0.00 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3kc4 h VAL 60 CO 0.00 0.11 -0.05 -0.09 0.02 0.00 0.00 177.57 177.56 3kc4 h ARG 61 N 0.60 0.00 -0.00 1.57 2.43 -0.69 -3.11 114.38 115.17 3kc4 h ARG 61 Ca 0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 3kc4 h ARG 61 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3kc4 h ARG 61 CO -0.35 0.05 -0.23 0.54 -1.51 0.00 0.00 179.97 178.47 3kc4 n ARG 62 N -4.43 2.97 -0.64 0.20 1.74 -0.50 -0.75 116.66 115.24 3kc4 n ARG 62 Ca -0.03 -0.36 0.08 0.00 -0.77 0.00 0.00 57.85 56.77 3kc4 n ARG 62 Cb 0.13 -0.97 0.33 0.00 -1.02 0.00 0.00 32.46 30.94 3kc4 n ARG 62 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3kc4 n ILE 63 N -0.59 2.28 0.00 0.55 3.06 0.17 -3.07 119.36 121.75 3kc4 n ILE 63 Ca 0.03 -1.48 0.00 0.00 -2.50 0.00 0.00 62.75 58.80 3kc4 n ILE 63 Cb 0.15 -0.12 0.00 0.00 0.54 0.00 0.00 39.64 40.22 3kc4 n ILE 63 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 3kc4 n TYR 64 N 0.38 0.00 -0.35 9.51 4.02 -1.22 -5.02 117.16 124.48 3kc4 n TYR 64 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 3kc4 n TYR 64 Cb 0.98 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.30 3kc4 n TYR 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kc4 n GLY 65 N 1.36 0.69 3.46 2.72 0.00 -1.09 -4.97 105.19 107.36 3kc4 n GLY 65 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 3kc4 n GLY 65 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kc4 n VAL 66 N -2.03 0.17 -0.58 1.61 0.24 0.07 -4.81 118.33 112.99 3kc4 n VAL 66 Ca 0.00 -0.30 -0.29 0.00 -2.04 0.00 0.00 64.34 61.71 3kc4 n VAL 66 Cb 0.00 -1.74 0.19 0.00 -1.47 0.00 0.00 33.84 30.82 3kc4 n VAL 66 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3kc4 n LEU 67 N 10.44 -1.93 0.00 1.34 4.77 -1.26 -4.38 117.00 125.97 3kc4 n LEU 67 Ca 0.41 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3kc4 n LEU 67 Cb 0.26 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 3kc4 n LEU 67 CO 0.76 -3.26 0.34 -0.62 -1.33 0.00 0.00 177.39 173.27 3kc4 n GLU 68 N -2.57 0.00 -0.31 3.23 4.71 -1.26 -0.83 120.64 123.61 3kc4 n GLU 68 Ca 0.03 0.39 -0.10 0.00 -0.01 0.00 0.00 57.16 57.46 3kc4 n GLU 68 Cb 0.56 -1.18 -0.08 0.00 -1.01 0.00 0.00 31.44 29.72 3kc4 n GLU 68 CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 177.13 177.29 3kc4 h ARG 69 N 0.00 -0.14 -0.72 3.49 0.11 -2.01 -2.97 114.38 112.14 3kc4 h ARG 69 Ca 0.00 0.01 0.11 0.00 0.10 0.00 0.00 59.98 60.20 3kc4 h ARG 69 Cb 0.00 0.03 -0.08 0.00 1.11 0.00 0.00 29.97 31.03 3kc4 h ARG 69 CO 0.00 -0.09 0.33 1.96 0.10 0.00 0.00 179.97 182.27 3kc4 h GLN 70 N -0.14 0.53 -0.54 0.08 4.20 -1.91 -2.83 115.11 114.49 3kc4 h GLN 70 Ca 0.16 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 3kc4 h GLN 70 Cb 0.50 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3kc4 h GLN 70 CO -0.82 0.35 -0.06 0.35 -0.67 0.00 0.00 178.83 177.98 3kc4 h PHE 71 N 0.54 1.10 -0.47 2.96 -0.00 -0.81 0.70 116.94 120.97 3kc4 h PHE 71 Ca 0.37 -0.21 0.04 0.00 -0.00 0.00 0.00 57.97 58.17 3kc4 h PHE 71 Cb 0.46 -0.28 -0.03 0.00 -0.00 0.00 0.00 35.95 36.10 3kc4 h PHE 71 CO -0.13 1.02 0.32 0.00 -0.00 0.00 0.00 178.31 179.51 3kc4 h ARG 72 N 0.88 0.46 -0.06 1.11 2.47 -1.60 -2.72 114.38 114.91 3kc4 h ARG 72 Ca 0.15 -0.03 -0.17 0.00 -1.26 0.00 0.00 59.98 58.67 3kc4 h ARG 72 Cb 0.61 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 3kc4 h ARG 72 CO 0.04 0.30 -0.69 -0.91 0.56 0.00 0.00 179.97 179.27 3kc4 h ASN 73 N 0.47 0.33 -0.30 7.04 2.35 -0.64 -0.38 115.58 124.45 3kc4 h ASN 73 Ca 0.20 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 3kc4 h ASN 73 Cb 0.19 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3kc4 h ASN 73 CO -0.05 0.92 -0.05 1.88 -1.65 0.00 0.00 177.43 178.48 3kc4 h TYR 74 N 0.19 0.63 -0.76 1.19 0.05 -1.17 -3.30 116.97 113.81 3kc4 h TYR 74 Ca -0.02 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.61 3kc4 h TYR 74 Cb 1.24 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.79 3kc4 h TYR 74 CO 0.03 0.74 0.40 -0.92 -1.05 0.00 0.00 178.16 177.36 3kc4 h TYR 75 N 0.34 1.04 0.00 4.88 3.20 -1.00 -2.52 116.97 122.91 3kc4 h TYR 75 Ca 0.08 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3kc4 h TYR 75 Cb 0.52 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3kc4 h TYR 75 CO 0.05 0.73 0.00 0.36 -1.64 0.00 0.00 178.16 177.66 3kc4 n LYS 76 N -4.35 0.90 -0.03 1.82 2.85 -0.24 -2.49 118.16 116.61 3kc4 n LYS 76 Ca 0.08 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.30 3kc4 n LYS 76 Cb 0.11 -1.43 -0.05 0.00 -0.65 0.00 0.00 35.03 33.01 3kc4 n LYS 76 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3kc4 n GLU 77 N -0.93 2.48 0.07 -1.58 -0.58 -0.98 -4.30 120.64 114.81 3kc4 n GLU 77 Ca 0.19 0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.82 3kc4 n GLU 77 Cb 0.09 -1.16 -0.05 0.00 -0.57 0.00 0.00 31.44 29.75 3kc4 n GLU 77 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kc4 h ALA 78 N 0.26 -0.26 0.00 0.62 0.00 -1.16 -3.32 119.26 115.40 3kc4 h ALA 78 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kc4 h ALA 78 Cb 1.38 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3kc4 h ALA 78 CO 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 179.25 178.56 3kc4 n ALA 79 N -2.55 2.42 0.67 0.00 0.00 -1.22 -4.10 120.51 115.73 3kc4 n ALA 79 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.46 3kc4 n ALA 79 Cb 0.24 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 3kc4 n ALA 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kc4 n ARG 80 N 0.20 1.80 -4.39 0.00 0.63 -1.25 -4.85 116.66 108.80 3kc4 n ARG 80 Ca 0.00 -0.69 -0.27 0.00 -0.92 0.00 0.00 57.85 55.97 3kc4 n ARG 80 Cb 0.32 -1.24 -0.11 0.00 0.45 0.00 0.00 32.46 31.88 3kc4 n ARG 80 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3kc4 s LEU 81 N -2.04 2.56 1.26 6.15 1.43 -1.26 -5.14 118.68 121.64 3kc4 s LEU 81 Ca 0.12 -0.80 -0.20 0.00 -1.03 0.00 0.00 54.13 52.22 3kc4 s LEU 81 Cb 0.12 -1.28 0.31 0.00 0.03 0.00 0.00 46.19 45.37 3kc4 s LEU 81 CO 0.40 0.12 1.07 -0.54 0.23 0.00 0.00 176.35 177.63 3kc4 s LYS 82 N -2.70 -1.68 0.00 1.70 3.01 -1.26 -4.97 119.74 113.83 3kc4 s LYS 82 Ca 0.22 -0.02 0.00 0.00 -1.01 0.00 0.00 55.97 55.16 3kc4 s LYS 82 Cb -0.08 -1.54 0.00 0.00 -1.01 0.00 0.00 37.83 35.20 3kc4 s LYS 82 CO 0.11 -4.03 0.00 0.41 0.51 0.00 0.00 175.35 172.35 3kc4 n GLY 83 N -0.36 2.58 3.77 -3.33 0.00 -1.26 -4.99 105.19 101.60 3kc4 n GLY 83 Ca 0.13 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 3kc4 n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kc4 s ASN 84 N 0.00 6.27 -0.03 1.61 -0.87 -1.26 -4.92 114.94 115.75 3kc4 s ASN 84 Ca 0.00 2.33 0.04 0.00 -1.57 0.00 0.00 52.86 53.66 3kc4 s ASN 84 Cb 0.00 -2.61 0.06 0.00 -0.02 0.00 0.00 41.25 38.68 3kc4 s ASN 84 CO 0.00 -0.85 1.00 0.35 -2.57 0.00 0.00 177.10 175.03 3kc4 n THR 85 N -0.31 1.11 0.03 1.60 -2.24 -1.26 -2.30 114.28 110.91 3kc4 n THR 85 Ca 0.06 -1.19 -0.07 0.00 -2.27 0.00 0.00 64.05 60.58 3kc4 n THR 85 Cb 0.47 0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 3kc4 n THR 85 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3kc4 h GLY 86 N 0.00 -0.18 -0.13 3.38 0.00 -1.91 -2.67 103.07 101.56 3kc4 h GLY 86 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.42 3kc4 h GLY 86 CO 0.00 -0.07 -0.27 0.83 0.00 0.00 0.00 176.54 177.04 3kc4 h GLU 87 N -0.99 -0.23 -1.20 4.80 5.08 -1.90 0.14 114.58 120.28 3kc4 h GLU 87 Ca -0.02 0.02 0.35 0.00 -1.00 0.00 0.00 59.36 58.70 3kc4 h GLU 87 Cb 0.40 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 3kc4 h GLU 87 CO 0.03 -0.15 0.79 -0.91 -1.00 0.00 0.00 179.01 177.77 3kc4 h ASN 88 N -0.24 0.28 0.27 1.42 2.35 -1.63 -1.14 115.58 116.88 3kc4 h ASN 88 Ca 0.02 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3kc4 h ASN 88 Cb 0.31 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3kc4 h ASN 88 CO -0.25 -0.02 -0.13 0.25 -1.65 0.00 0.00 177.43 175.64 3kc4 h LEU 89 N 0.21 -0.30 -0.33 1.61 5.85 -0.96 -3.39 115.31 117.98 3kc4 h LEU 89 Ca 0.67 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 59.17 3kc4 h LEU 89 Cb 2.08 0.08 0.00 0.00 0.37 0.00 0.00 40.66 43.19 3kc4 h LEU 89 CO -0.27 0.15 0.00 0.18 -0.34 0.00 0.00 178.44 178.17 3kc4 n LEU 90 N -5.05 0.13 -0.07 2.25 4.77 -0.05 -2.36 117.00 116.63 3kc4 n LEU 90 Ca -0.08 0.56 -0.16 0.00 -0.03 0.00 0.00 56.01 56.29 3kc4 n LEU 90 Cb 0.26 -0.57 -0.13 0.00 -2.33 0.00 0.00 43.42 40.65 3kc4 n LEU 90 CO 0.27 -0.60 0.17 0.00 -1.33 0.00 0.00 177.39 175.89 3kc4 h ALA 91 N 1.99 0.05 -0.61 -1.18 0.00 -1.75 -3.36 119.26 114.40 3kc4 h ALA 91 Ca 0.00 -0.67 0.13 0.00 0.00 0.00 0.00 54.91 54.37 3kc4 h ALA 91 Cb 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3kc4 h ALA 91 CO 0.00 0.18 0.41 -0.07 0.00 0.00 0.00 179.25 179.77 3kc4 h LEU 92 N -0.95 0.25 -1.30 0.00 3.38 -1.71 -2.48 115.31 112.50 3kc4 h LEU 92 Ca -0.08 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3kc4 h LEU 92 Cb 1.11 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3kc4 h LEU 92 CO -0.03 0.14 -0.23 -0.07 0.09 0.00 0.00 178.44 178.34 3kc4 h LEU 93 N 0.27 0.00 -0.26 1.67 3.38 -1.71 -2.85 115.31 115.81 3kc4 h LEU 93 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3kc4 h LEU 93 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3kc4 h LEU 93 CO -0.06 0.23 -0.33 1.21 0.09 0.00 0.00 178.44 179.57 3kc4 n GLU 94 N -3.49 3.43 0.00 1.13 4.07 -0.95 -4.53 120.64 120.30 3kc4 n GLU 94 Ca -0.00 -0.20 0.15 0.00 -0.06 0.00 0.00 57.16 57.04 3kc4 n GLU 94 Cb 0.39 -0.96 0.79 0.00 -0.06 0.00 0.00 31.44 31.60 3kc4 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kc4 n GLY 95 N 1.08 -1.15 3.78 8.31 0.00 -1.07 -3.57 105.19 112.57 3kc4 n GLY 95 Ca 0.02 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 3kc4 n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kc4 s ARG 96 N -2.38 3.24 0.15 1.61 0.52 -1.26 -0.52 118.95 120.31 3kc4 s ARG 96 Ca 0.34 1.50 -0.18 0.00 -0.52 0.00 0.00 55.73 56.87 3kc4 s ARG 96 Cb 0.20 -2.00 0.04 0.00 0.52 0.00 0.00 34.95 33.71 3kc4 s ARG 96 CO 0.41 -0.92 1.70 1.25 0.02 0.00 0.00 175.30 177.77 3kc4 h LEU 97 N 0.85 -0.15 -2.31 2.53 5.85 -1.34 -2.03 115.31 118.71 3kc4 h LEU 97 Ca -0.49 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.34 3kc4 h LEU 97 Cb 1.25 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 3kc4 h LEU 97 CO 0.56 -0.04 0.18 -2.24 -0.34 0.00 0.00 178.44 176.56 3kc4 h ASP 98 N 0.07 0.00 0.00 1.25 2.03 -1.87 -1.88 116.42 116.02 3kc4 h ASP 98 Ca 0.14 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.16 3kc4 h ASP 98 Cb 0.20 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.66 3kc4 h ASP 98 CO -0.26 0.00 -1.75 0.59 -1.03 0.00 0.00 179.24 176.80 3kc4 n ASN 99 N -3.63 1.91 -0.12 4.15 3.02 -0.82 -2.59 115.26 117.19 3kc4 n ASN 99 Ca 0.00 0.39 -0.05 0.00 -0.03 0.00 0.00 54.58 54.90 3kc4 n ASN 99 Cb 0.29 -0.86 0.01 0.00 -0.61 0.00 0.00 39.78 38.61 3kc4 n ASN 99 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3kc4 h VAL 100 N -1.00 0.44 -0.74 2.41 2.07 -1.46 -2.72 116.25 115.26 3kc4 h VAL 100 Ca -0.43 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.21 3kc4 h VAL 100 Cb 1.33 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 3kc4 h VAL 100 CO -0.26 0.00 0.33 0.58 0.02 0.00 0.00 177.57 178.24 3kc4 h VAL 101 N -0.10 0.74 -0.64 2.57 2.07 -1.42 -0.29 116.25 119.18 3kc4 h VAL 101 Ca 0.20 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3kc4 h VAL 101 Cb 0.41 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3kc4 h VAL 101 CO -0.48 0.09 0.35 0.22 0.02 0.00 0.00 177.57 177.78 3kc4 h TYR 102 N 0.52 0.86 -0.22 1.57 3.20 -1.22 -2.82 116.97 118.85 3kc4 h TYR 102 Ca 0.39 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.25 3kc4 h TYR 102 Cb 0.51 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3kc4 h TYR 102 CO -0.14 0.60 0.00 0.54 -1.64 0.00 0.00 178.16 177.52 3kc4 n ARG 103 N -4.38 2.18 0.00 1.82 5.12 -0.13 -2.56 116.66 118.71 3kc4 n ARG 103 Ca 0.06 -1.08 0.00 0.00 -1.93 0.00 0.00 57.85 54.90 3kc4 n ARG 103 Cb 0.10 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 3kc4 n ARG 103 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3kc4 n MET 104 N 0.24 2.05 -0.36 5.56 2.81 -1.16 -4.72 117.12 121.54 3kc4 n MET 104 Ca 0.10 -0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 3kc4 n MET 104 Cb 0.49 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 32.27 3kc4 n MET 104 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kc4 n GLY 105 N 0.37 1.01 0.12 3.03 0.00 -1.06 -2.13 105.19 106.52 3kc4 n GLY 105 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.93 3kc4 n GLY 105 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kc4 n PHE 106 N -0.39 0.08 -4.15 1.61 3.72 -1.07 -4.73 117.46 112.53 3kc4 n PHE 106 Ca 0.00 -0.46 -0.15 0.00 -0.05 0.00 0.00 57.45 56.79 3kc4 n PHE 106 Cb 0.07 -0.04 -0.11 0.00 -0.94 0.00 0.00 39.48 38.46 3kc4 n PHE 106 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kc4 s GLY 107 N -0.94 0.77 0.44 1.37 0.00 -1.26 -3.77 107.32 103.93 3kc4 s GLY 107 Ca 0.04 -1.05 0.24 0.00 0.00 0.00 0.00 44.72 43.95 3kc4 s GLY 107 CO 0.03 -1.10 1.68 0.00 0.00 0.00 0.00 173.10 173.71 3kc4 h ALA 108 N 3.95 0.95 -2.52 3.20 0.00 -1.87 -3.45 119.26 119.51 3kc4 h ALA 108 Ca -0.38 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 3kc4 h ALA 108 Cb 1.19 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 3kc4 h ALA 108 CO 0.47 0.14 -0.55 0.95 0.00 0.00 0.00 179.25 180.25 3kc4 s THR 109 N -3.31 0.07 0.16 0.00 -4.23 -1.26 -4.26 115.64 102.81 3kc4 s THR 109 Ca 0.05 -1.81 -0.22 0.00 -1.18 0.00 0.00 61.69 58.53 3kc4 s THR 109 Cb 0.07 -2.12 0.05 0.00 1.34 0.00 0.00 72.50 71.84 3kc4 s THR 109 CO 0.65 -0.31 1.62 -0.09 -0.54 0.00 0.00 174.62 175.96 3kc4 h ARG 110 N 2.72 -0.23 -0.41 3.99 9.65 -1.79 -1.38 114.38 126.93 3kc4 h ARG 110 Ca -0.34 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.55 3kc4 h ARG 110 Cb 1.22 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.83 3kc4 h ARG 110 CO 0.54 -0.15 0.24 0.00 2.80 0.00 0.00 179.97 183.40 3kc4 h ALA 111 N 0.82 0.52 -0.64 2.80 0.00 -1.93 0.19 119.26 121.03 3kc4 h ALA 111 Ca 0.16 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3kc4 h ALA 111 Cb 0.49 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3kc4 h ALA 111 CO -0.45 0.02 0.43 1.49 0.00 0.00 0.00 179.25 180.74 3kc4 h GLU 112 N 0.54 0.66 -0.41 0.00 4.81 -1.91 0.41 114.58 118.68 3kc4 h GLU 112 Ca 0.15 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 3kc4 h GLU 112 Cb 0.01 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3kc4 h GLU 112 CO -0.03 0.44 -0.06 0.00 -0.73 0.00 0.00 179.01 178.63 3kc4 h ALA 113 N 1.64 1.12 0.00 2.92 0.00 -0.06 -0.34 119.26 124.55 3kc4 h ALA 113 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kc4 h ALA 113 Cb 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kc4 h ALA 113 CO -0.08 0.55 -0.14 -2.13 0.00 0.00 0.00 179.25 177.45 3kc4 n ARG 114 N -4.20 0.02 0.14 0.00 0.63 -0.06 -2.91 116.66 110.28 3kc4 n ARG 114 Ca 0.02 0.01 0.12 0.00 -0.92 0.00 0.00 57.85 57.08 3kc4 n ARG 114 Cb 0.32 -1.52 0.14 0.00 0.45 0.00 0.00 32.46 31.85 3kc4 n ARG 114 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 3kc4 h GLN 115 N 0.00 0.00 0.22 -0.14 5.75 0.16 0.85 115.11 121.94 3kc4 h GLN 115 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3kc4 h GLN 115 Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 3kc4 h GLN 115 CO 0.00 0.00 -0.10 -0.07 -2.65 0.00 0.00 178.83 176.01 3kc4 h LEU 116 N 0.00 -0.25 -1.76 -2.39 4.07 -1.33 -1.28 115.31 112.37 3kc4 h LEU 116 Ca 0.00 -0.28 0.17 0.00 0.08 0.00 0.00 57.88 57.84 3kc4 h LEU 116 Cb 0.93 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.71 3kc4 h LEU 116 CO 0.00 0.23 0.64 0.58 -1.08 0.00 0.00 178.44 178.81 3kc4 h VAL 117 N -0.81 0.27 0.00 1.22 2.07 -1.43 0.33 116.25 117.91 3kc4 h VAL 117 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3kc4 h VAL 117 Cb 0.51 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3kc4 h VAL 117 CO 0.05 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.44 3kc4 n SER 118 N -3.59 0.00 -2.16 0.57 7.64 0.29 -4.33 113.62 112.04 3kc4 n SER 118 Ca 0.11 0.64 -0.25 0.00 1.01 0.00 0.00 58.87 60.39 3kc4 n SER 118 Cb 0.85 -0.32 0.14 0.00 -1.01 0.00 0.00 64.21 63.87 3kc4 n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kc4 n HIS 119 N -1.45 2.85 -4.07 1.43 1.44 -0.50 -4.85 115.22 110.06 3kc4 n HIS 119 Ca 0.00 -2.08 -0.46 0.00 -2.01 0.00 0.00 57.72 53.16 3kc4 n HIS 119 Cb 0.00 -1.04 0.02 0.00 0.12 0.00 0.00 29.99 29.09 3kc4 n HIS 119 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kc4 n LYS 120 N -0.91 -0.28 0.00 -1.40 5.02 -0.67 -4.87 118.16 115.04 3kc4 n LYS 120 Ca 0.55 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 57.04 3kc4 n LYS 120 Cb 1.28 -2.59 0.08 0.00 -0.02 0.00 0.00 35.03 33.78 3kc4 n LYS 120 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kc4 n ALA 121 N -5.04 2.63 -2.87 7.82 0.00 0.02 -4.90 120.51 118.18 3kc4 n ALA 121 Ca -0.11 -0.67 -0.23 0.00 0.00 0.00 0.00 53.44 52.43 3kc4 n ALA 121 Cb 0.57 -0.75 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 3kc4 n ALA 121 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3kc4 s ILE 122 N -1.94 5.22 0.01 0.00 1.10 -1.19 -1.96 121.20 122.44 3kc4 s ILE 122 Ca 0.24 -0.76 -0.28 0.00 -0.51 0.00 0.00 60.65 59.34 3kc4 s ILE 122 Cb 0.18 -3.83 0.10 0.00 0.15 0.00 0.00 42.46 39.06 3kc4 s ILE 122 CO 0.32 -0.34 0.90 0.00 -2.11 0.00 0.00 174.94 173.72 3kc4 s MET 123 N -3.89 0.85 -0.04 3.50 0.23 -1.25 -3.88 119.30 114.81 3kc4 s MET 123 Ca 0.36 -0.33 0.02 0.00 -1.03 0.00 0.00 55.69 54.70 3kc4 s MET 123 Cb -0.10 0.37 0.02 0.00 -1.53 0.00 0.00 34.83 33.59 3kc4 s MET 123 CO 0.31 -0.37 -0.07 0.08 -2.03 0.00 0.00 175.02 172.93 3kc4 s VAL 124 N -3.12 0.72 0.00 5.16 1.01 0.04 -3.76 120.40 120.45 3kc4 s VAL 124 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3kc4 s VAL 124 Cb -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.68 3kc4 s VAL 124 CO -0.08 0.26 0.00 0.59 0.00 0.00 0.00 175.10 175.87 3kc4 n ASN 125 N 3.83 0.00 0.07 3.32 3.02 0.92 -1.09 115.26 125.32 3kc4 n ASN 125 Ca -0.23 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.37 3kc4 n ASN 125 Cb 0.52 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.64 3kc4 n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kc4 n GLY 126 N 0.00 -1.33 3.71 7.41 0.00 -1.26 -4.56 105.19 109.17 3kc4 n GLY 126 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3kc4 n GLY 126 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kc4 s ARG 127 N -3.14 4.57 0.11 1.61 6.06 -0.25 -4.99 118.95 122.93 3kc4 s ARG 127 Ca -0.02 1.41 -0.18 0.00 -2.50 0.00 0.00 55.73 54.44 3kc4 s ARG 127 Cb 0.09 -3.45 -0.07 0.00 0.06 0.00 0.00 34.95 31.58 3kc4 s ARG 127 CO 0.80 -0.02 0.58 0.14 -2.50 0.00 0.00 175.30 174.30 3kc4 s VAL 128 N 0.89 4.76 0.21 7.11 -7.23 -1.26 -0.78 120.40 124.10 3kc4 s VAL 128 Ca 0.51 1.10 -0.00 0.00 -1.81 0.00 0.00 61.98 61.77 3kc4 s VAL 128 Cb -0.21 -3.84 -0.04 0.00 0.56 0.00 0.00 36.38 32.84 3kc4 s VAL 128 CO 0.28 0.42 0.11 -0.69 -0.31 0.00 0.00 175.10 174.91 3kc4 s VAL 129 N -1.27 0.21 0.00 1.32 1.01 -1.25 -4.92 120.40 115.50 3kc4 s VAL 129 Ca 0.33 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.32 3kc4 s VAL 129 Cb -0.18 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.70 3kc4 s VAL 129 CO 0.19 -0.05 0.00 -0.46 0.00 0.00 0.00 175.10 174.78 3kc4 n ASN 130 N -0.32 0.00 -4.52 3.32 6.94 -1.26 -4.62 115.26 114.79 3kc4 n ASN 130 Ca 0.01 -0.11 -0.42 0.00 -0.02 0.00 0.00 54.58 54.04 3kc4 n ASN 130 Cb 0.66 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.99 3kc4 n ASN 130 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3kc4 s ILE 131 N 0.00 5.06 -0.49 1.53 1.01 -1.26 -4.80 121.20 122.25 3kc4 s ILE 131 Ca 0.00 -0.01 0.24 0.00 0.00 0.00 0.00 60.65 60.88 3kc4 s ILE 131 Cb 0.00 -3.98 0.28 0.00 0.01 0.00 0.00 42.46 38.77 3kc4 s ILE 131 CO 0.00 -0.30 1.57 0.00 0.00 0.00 0.00 174.94 176.21 3kc4 h ALA 132 N 8.60 0.92 -0.07 9.38 0.00 -1.97 -2.39 119.26 133.73 3kc4 h ALA 132 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3kc4 h ALA 132 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kc4 h ALA 132 CO 0.77 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.45 3kc4 n SER 133 N -2.83 1.28 -4.73 0.00 7.64 -1.26 -3.09 113.62 110.63 3kc4 n SER 133 Ca 0.04 -1.51 -0.41 0.00 1.01 0.00 0.00 58.87 58.00 3kc4 n SER 133 Cb 0.51 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.62 3kc4 n SER 133 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3kc4 s TYR 134 N -1.92 3.77 -0.07 1.43 5.04 -0.90 -5.01 117.35 119.69 3kc4 s TYR 134 Ca 0.36 1.68 0.03 0.00 -2.44 0.00 0.00 57.07 56.70 3kc4 s TYR 134 Cb 0.19 -2.99 -0.02 0.00 0.35 0.00 0.00 41.96 39.49 3kc4 s TYR 134 CO 0.30 0.20 -0.13 -0.65 -1.34 0.00 0.00 175.55 173.93 3kc4 s GLN 135 N 0.11 2.69 -0.15 4.97 -1.52 -1.26 -2.03 119.66 122.47 3kc4 s GLN 135 Ca 0.45 -0.67 -0.29 0.00 -1.95 0.00 0.00 55.36 52.89 3kc4 s GLN 135 Cb -0.22 -2.45 -0.01 0.00 -0.22 0.00 0.00 33.01 30.10 3kc4 s GLN 135 CO 0.27 0.56 1.22 0.08 -0.25 0.00 0.00 175.29 177.17 3kc4 s VAL 136 N -0.55 4.33 0.30 1.09 1.01 0.33 -4.92 120.40 121.99 3kc4 s VAL 136 Ca 0.08 1.62 -0.08 0.00 0.00 0.00 0.00 61.98 63.60 3kc4 s VAL 136 Cb -0.12 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 3kc4 s VAL 136 CO 0.01 -0.11 0.61 -0.44 0.00 0.00 0.00 175.10 175.17 3kc4 s SER 137 N 1.77 6.52 0.20 3.32 0.01 -1.26 -4.89 113.70 119.37 3kc4 s SER 137 Ca 0.53 0.89 -0.30 0.00 1.31 0.00 0.00 55.95 58.38 3kc4 s SER 137 Cb -0.21 -2.22 -0.16 0.00 0.21 0.00 0.00 66.02 63.64 3kc4 s SER 137 CO 0.15 -0.21 0.80 -2.65 0.41 0.00 0.00 173.24 171.73 3kc4 n PRO 138 N -0.78 0.51 -2.62 12.44 -0.02 -1.26 -3.98 135.00 139.29 3kc4 n PRO 138 Ca 0.00 0.18 -0.09 0.00 -2.02 0.00 0.00 63.50 61.57 3kc4 n PRO 138 Cb 0.53 -1.40 0.04 0.00 -0.02 0.00 0.00 33.50 32.66 3kc4 n PRO 138 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kc4 n ASN 139 N 1.75 -4.14 -4.33 2.55 3.02 -1.12 -4.84 115.26 108.15 3kc4 n ASN 139 Ca 0.16 -0.41 -0.17 0.00 -0.03 0.00 0.00 54.58 54.12 3kc4 n ASN 139 Cb 0.25 -3.31 -0.10 0.00 -0.61 0.00 0.00 39.78 36.01 3kc4 n ASN 139 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3kc4 s ASP 140 N -3.37 2.15 -0.05 6.41 1.01 -1.02 -4.95 116.67 116.86 3kc4 s ASP 140 Ca 0.21 -1.12 0.03 0.00 0.71 0.00 0.00 52.55 52.38 3kc4 s ASP 140 Cb -0.03 -0.06 0.01 0.00 1.01 0.00 0.00 42.92 43.85 3kc4 s ASP 140 CO 0.44 -0.36 -0.13 -0.69 0.21 0.00 0.00 175.17 174.64 3kc4 s VAL 141 N -3.22 1.13 -0.13 -1.27 1.01 -1.26 -2.46 120.40 114.20 3kc4 s VAL 141 Ca 0.24 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3kc4 s VAL 141 Cb 0.03 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.41 3kc4 s VAL 141 CO 0.07 0.35 -0.18 0.54 0.00 0.00 0.00 175.10 175.87 3kc4 s VAL 142 N 0.44 1.77 0.16 2.92 0.11 -1.25 -0.06 120.40 124.49 3kc4 s VAL 142 Ca -0.10 -0.80 0.10 0.00 -2.93 0.00 0.00 61.98 58.24 3kc4 s VAL 142 Cb -0.14 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 3kc4 s VAL 142 CO 0.03 0.49 -0.22 -0.55 -3.33 0.00 0.00 175.10 171.52 3kc4 s SER 143 N 0.93 3.06 0.46 3.54 0.15 -1.25 -2.78 113.70 117.81 3kc4 s SER 143 Ca -0.06 -0.82 -0.10 0.00 0.70 0.00 0.00 55.95 55.66 3kc4 s SER 143 Cb -0.15 -0.20 -0.06 0.00 -1.71 0.00 0.00 66.02 63.90 3kc4 s SER 143 CO -0.02 0.07 0.83 0.27 1.20 0.00 0.00 173.24 175.60 3kc4 s ILE 144 N -1.61 4.76 0.06 6.45 -4.36 -1.26 -3.80 121.20 121.45 3kc4 s ILE 144 Ca 0.16 0.65 -0.31 0.00 -0.26 0.00 0.00 60.65 60.89 3kc4 s ILE 144 Cb -0.08 -3.77 -0.17 0.00 1.25 0.00 0.00 42.46 39.69 3kc4 s ILE 144 CO 0.07 -0.68 0.77 -1.14 0.24 0.00 0.00 174.94 174.20 3kc4 n ARG 145 N -1.69 0.00 0.00 0.37 0.63 -0.83 -4.90 116.66 110.24 3kc4 n ARG 145 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3kc4 n ARG 145 Cb 0.54 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.29 3kc4 n ARG 145 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3kc4 n GLU 146 N 1.16 0.00 -0.23 -0.14 4.71 -1.26 -1.85 120.64 123.03 3kc4 n GLU 146 Ca 0.17 0.56 -0.02 0.00 -0.01 0.00 0.00 57.16 57.87 3kc4 n GLU 146 Cb 0.12 -1.10 -0.03 0.00 -1.01 0.00 0.00 31.44 29.43 3kc4 n GLU 146 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3kc4 n LYS 147 N -1.36 0.45 0.00 3.49 2.85 -1.26 -1.26 118.16 121.08 3kc4 n LYS 147 Ca 0.00 -0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 3kc4 n LYS 147 Cb 0.00 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 3kc4 n LYS 147 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kc4 n ALA 148 N 2.38 0.00 0.90 0.58 0.00 -0.77 -4.53 120.51 119.06 3kc4 n ALA 148 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.64 3kc4 n ALA 148 Cb 0.21 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.23 3kc4 n ALA 148 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kc4 n LYS 149 N 0.00 0.06 -0.03 0.00 5.02 -0.39 -3.69 118.16 119.12 3kc4 n LYS 149 Ca 0.00 0.06 0.05 0.00 -2.02 0.00 0.00 58.31 56.39 3kc4 n LYS 149 Cb 0.03 -1.57 0.06 0.00 -0.02 0.00 0.00 35.03 33.52 3kc4 n LYS 149 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kc4 n LYS 150 N -1.67 0.80 -1.66 1.97 4.76 -1.25 -4.70 118.16 116.42 3kc4 n LYS 150 Ca 0.07 -1.23 -0.32 0.00 -2.87 0.00 0.00 58.31 53.96 3kc4 n LYS 150 Cb 0.35 -1.18 0.05 0.00 -1.84 0.00 0.00 35.03 32.41 3kc4 n LYS 150 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3kc4 s GLN 151 N -0.80 2.75 0.01 1.97 -0.21 -1.24 -4.94 119.66 117.19 3kc4 s GLN 151 Ca 0.12 1.27 0.23 0.00 0.02 0.00 0.00 55.36 57.01 3kc4 s GLN 151 Cb 0.08 -1.95 0.19 0.00 1.00 0.00 0.00 33.01 32.32 3kc4 s GLN 151 CO 0.12 -1.27 1.18 0.43 -2.12 0.00 0.00 175.29 173.62 3kc4 n SER 152 N -2.70 0.68 -0.09 5.90 7.64 -1.26 -2.39 113.62 121.40 3kc4 n SER 152 Ca 0.10 -0.46 -0.12 0.00 1.01 0.00 0.00 58.87 59.39 3kc4 n SER 152 Cb 0.52 0.59 -0.05 0.00 -1.01 0.00 0.00 64.21 64.27 3kc4 n SER 152 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3kc4 h ARG 153 N 0.00 0.53 -0.06 1.43 3.08 -1.96 -2.96 114.38 114.44 3kc4 h ARG 153 Ca 0.00 -0.23 -0.23 0.00 0.07 0.00 0.00 59.98 59.58 3kc4 h ARG 153 Cb 0.55 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.60 3kc4 h ARG 153 CO 0.00 0.79 -0.87 0.28 -1.07 0.00 0.00 179.97 179.10 3kc4 h VAL 154 N 0.25 1.30 -0.49 2.04 2.07 -1.84 -3.26 116.25 116.32 3kc4 h VAL 154 Ca 0.05 -2.10 0.07 0.00 0.82 0.00 0.00 66.70 65.54 3kc4 h VAL 154 Cb 0.64 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 3kc4 h VAL 154 CO 0.04 0.65 0.18 0.11 0.02 0.00 0.00 177.57 178.57 3kc4 h LYS 155 N 0.37 0.34 0.00 1.57 1.57 -1.61 -2.51 116.57 116.31 3kc4 h LYS 155 Ca -0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3kc4 h LYS 155 Cb 1.52 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.75 3kc4 h LYS 155 CO 0.17 0.23 0.00 0.00 -0.57 0.00 0.00 179.45 179.28 3kc4 n ALA 156 N -2.41 1.76 0.09 3.86 0.00 -1.12 -2.04 120.51 120.65 3kc4 n ALA 156 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.48 3kc4 n ALA 156 Cb 0.19 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 3kc4 n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc4 n ALA 157 N -0.70 2.26 -0.21 0.00 0.00 -0.95 -4.65 120.51 116.27 3kc4 n ALA 157 Ca 0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 3kc4 n ALA 157 Cb 0.01 -0.08 0.02 0.00 0.00 0.00 0.00 19.45 19.40 3kc4 n ALA 157 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kc4 h LEU 158 N 0.00 1.00 -0.08 0.00 3.38 -1.42 -0.89 115.31 117.31 3kc4 h LEU 158 Ca 0.00 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.69 3kc4 h LEU 158 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3kc4 h LEU 158 CO 0.00 1.04 -0.12 1.05 0.09 0.00 0.00 178.44 180.50 3kc4 h GLU 159 N 0.93 -0.09 0.00 1.13 4.11 -1.83 -3.08 114.58 115.76 3kc4 h GLU 159 Ca 0.18 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.61 3kc4 h GLU 159 Cb 0.50 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3kc4 h GLU 159 CO 0.02 -0.06 -0.00 -0.07 0.07 0.00 0.00 179.01 178.97 3kc4 h LEU 160 N -0.09 0.00 -0.94 3.06 3.38 -1.77 -2.17 115.31 116.77 3kc4 h LEU 160 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3kc4 h LEU 160 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3kc4 h LEU 160 CO -0.12 0.00 -0.40 0.00 0.09 0.00 0.00 178.44 178.01 3kc4 h ALA 161 N 2.00 1.11 0.00 1.53 0.00 -1.08 -2.13 119.26 120.69 3kc4 h ALA 161 Ca -0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3kc4 h ALA 161 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kc4 h ALA 161 CO 0.00 0.58 -0.31 0.93 0.00 0.00 0.00 179.25 180.46 3kc4 h GLU 162 N 0.22 0.00 -0.03 0.00 5.08 -1.35 -2.19 114.58 116.31 3kc4 h GLU 162 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kc4 h GLU 162 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3kc4 h GLU 162 CO 0.06 0.31 0.00 1.04 -1.00 0.00 0.00 179.01 179.42 3kc4 n GLN 163 N -3.57 1.79 -2.00 2.33 6.02 -0.85 -4.84 117.38 116.27 3kc4 n GLN 163 Ca -0.01 -1.16 -0.32 0.00 -0.01 0.00 0.00 57.00 55.51 3kc4 n GLN 163 Cb 0.44 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 30.24 3kc4 n GLN 163 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3kc4 s ARG 164 N -1.98 3.40 0.10 -1.09 3.52 -0.82 -4.95 118.95 117.12 3kc4 s ARG 164 Ca 0.36 1.05 0.21 0.00 -0.13 0.00 0.00 55.73 57.21 3kc4 s ARG 164 Cb 0.21 -2.05 0.85 0.00 -1.56 0.00 0.00 34.95 32.40 3kc4 s ARG 164 CO 0.32 -0.73 1.65 -0.85 -0.81 0.00 0.00 175.30 174.88 3kc4 n GLU 165 N -2.25 0.09 -2.67 5.12 0.28 -1.26 -4.97 120.64 114.98 3kc4 n GLU 165 Ca 0.08 0.26 -0.07 0.00 -0.16 0.00 0.00 57.16 57.26 3kc4 n GLU 165 Cb 0.53 -1.65 0.03 0.00 1.43 0.00 0.00 31.44 31.79 3kc4 n GLU 165 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3kc4 n LYS 166 N -1.81 -1.36 -1.42 3.44 4.76 -1.26 -4.96 118.16 115.55 3kc4 n LYS 166 Ca 0.04 0.77 -0.40 0.00 -2.87 0.00 0.00 58.31 55.86 3kc4 n LYS 166 Cb 0.24 -4.48 0.02 0.00 -1.84 0.00 0.00 35.03 28.98 3kc4 n LYS 166 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3kc4 n PRO 167 N -2.35 0.43 -0.22 1.97 -0.02 -1.26 -4.89 135.00 128.66 3kc4 n PRO 167 Ca -0.03 0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.68 3kc4 n PRO 167 Cb 0.56 -1.49 0.19 0.00 -0.02 0.00 0.00 33.50 32.74 3kc4 n PRO 167 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kc4 n THR 168 N -1.34 0.94 -0.62 3.45 -2.24 -1.26 -3.28 114.28 109.93 3kc4 n THR 168 Ca 0.11 -0.97 0.06 0.00 -2.27 0.00 0.00 64.05 60.98 3kc4 n THR 168 Cb 0.44 0.55 0.12 0.00 -2.10 0.00 0.00 70.33 69.34 3kc4 n THR 168 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 3kc4 n TRP 169 N 0.84 0.20 -3.87 4.78 2.14 -1.26 -4.89 117.44 115.37 3kc4 n TRP 169 Ca 0.15 -0.77 -0.08 0.00 2.07 0.00 0.00 57.50 58.87 3kc4 n TRP 169 Cb 0.48 -0.13 -0.01 0.00 -0.81 0.00 0.00 31.31 30.83 3kc4 n TRP 169 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 3kc4 s LEU 170 N -2.07 -0.10 -0.07 5.67 0.05 -1.20 -1.56 118.68 119.40 3kc4 s LEU 170 Ca 0.22 -0.80 0.03 0.00 0.05 0.00 0.00 54.13 53.64 3kc4 s LEU 170 Cb 0.18 2.61 -0.02 0.00 -2.05 0.00 0.00 46.19 46.91 3kc4 s LEU 170 CO 0.04 -1.40 -0.15 -0.70 -0.55 0.00 0.00 176.35 173.59 3kc4 s GLU 171 N -3.54 2.68 -0.15 1.48 2.12 0.12 -4.69 118.70 116.71 3kc4 s GLU 171 Ca 0.14 -0.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.75 3kc4 s GLU 171 Cb -0.05 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.92 3kc4 s GLU 171 CO 0.09 0.52 -0.12 0.08 -0.54 0.00 0.00 175.26 175.29 3kc4 s VAL 172 N -0.47 3.01 0.73 3.70 1.01 -1.26 -4.27 120.40 122.85 3kc4 s VAL 172 Ca 0.06 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 3kc4 s VAL 172 Cb -0.12 -2.28 0.13 0.00 0.00 0.00 0.00 36.38 34.11 3kc4 s VAL 172 CO 0.02 0.51 1.01 -1.81 0.00 0.00 0.00 175.10 174.82 3kc4 s ASP 173 N 0.67 4.29 0.00 3.32 1.01 -0.91 -5.01 116.67 120.04 3kc4 s ASP 173 Ca -0.06 -0.35 0.00 0.00 0.71 0.00 0.00 52.55 52.84 3kc4 s ASP 173 Cb -0.15 -0.01 0.00 0.00 1.01 0.00 0.00 42.92 43.77 3kc4 s ASP 173 CO 0.02 -1.90 0.00 0.00 0.21 0.00 0.00 175.17 173.50 3kc4 n ALA 174 N -2.87 0.27 -0.03 5.23 0.00 -1.26 -4.43 120.51 117.42 3kc4 n ALA 174 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3kc4 n ALA 174 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3kc4 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc4 n GLY 175 N 0.00 0.03 0.27 0.00 0.00 -1.26 -4.69 105.19 99.53 3kc4 n GLY 175 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3kc4 n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kc4 h LYS 176 N 0.00 0.90 -5.79 1.61 3.64 -1.98 -3.47 116.57 111.49 3kc4 h LYS 176 Ca 0.00 -0.18 -0.36 0.00 -1.27 0.00 0.00 60.65 58.84 3kc4 h LYS 176 Cb 0.00 -0.14 0.13 0.00 -0.41 0.00 0.00 32.23 31.82 3kc4 h LYS 176 CO 0.00 0.79 -0.78 -1.33 -2.27 0.00 0.00 179.45 175.86 3kc4 n MET 177 N -4.44 -6.27 0.00 1.90 2.81 -1.26 -4.94 117.12 104.92 3kc4 n MET 177 Ca 0.03 0.79 0.00 0.00 -1.81 0.00 0.00 57.70 56.71 3kc4 n MET 177 Cb 0.19 -5.69 0.00 0.00 -0.71 0.00 0.00 33.22 27.01 3kc4 n MET 177 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3kc4 n GLU 178 N -4.24 0.00 -1.65 0.03 2.13 -1.26 -4.19 120.64 111.46 3kc4 n GLU 178 Ca -0.26 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.25 3kc4 n GLU 178 Cb 0.66 0.00 0.22 0.00 0.27 0.00 0.00 31.44 32.59 3kc4 n GLU 178 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3kc4 s GLY 179 N 0.00 1.74 -0.16 8.31 0.00 -1.12 -4.92 107.32 111.16 3kc4 s GLY 179 Ca 0.00 -1.21 -0.07 0.00 0.00 0.00 0.00 44.72 43.44 3kc4 s GLY 179 CO 0.00 -0.36 0.36 -1.59 0.00 0.00 0.00 173.10 171.52 3kc4 s THR 180 N -3.63 -0.31 0.05 0.90 2.01 -1.26 -3.94 115.64 109.45 3kc4 s THR 180 Ca 0.75 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.92 3kc4 s THR 180 Cb -0.04 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 3kc4 s THR 180 CO 0.54 0.07 0.09 0.12 -0.69 0.00 0.00 174.62 174.75 3kc4 s PHE 181 N 1.98 3.25 0.00 4.92 5.36 -1.03 -0.71 117.98 131.75 3kc4 s PHE 181 Ca -0.05 0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 3kc4 s PHE 181 Cb -0.11 -1.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.90 3kc4 s PHE 181 CO -0.11 0.54 0.00 0.36 -1.46 0.00 0.00 175.22 174.54 3kc4 n LYS 182 N 0.70 0.00 -3.91 10.12 2.85 -0.60 -2.43 118.16 124.89 3kc4 n LYS 182 Ca -0.10 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.06 3kc4 n LYS 182 Cb 0.52 -0.01 -0.01 0.00 -0.65 0.00 0.00 35.03 34.88 3kc4 n LYS 182 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3kc4 s ARG 183 N 0.00 2.03 0.39 -1.58 0.52 -0.99 -4.00 118.95 115.32 3kc4 s ARG 183 Ca 0.00 -1.45 -0.27 0.00 -0.52 0.00 0.00 55.73 53.49 3kc4 s ARG 183 Cb 0.00 0.56 -0.11 0.00 0.52 0.00 0.00 34.95 35.92 3kc4 s ARG 183 CO 0.00 -0.91 1.37 0.36 0.02 0.00 0.00 175.30 176.13 3kc4 n LYS 184 N -0.52 2.28 -1.40 3.54 2.85 -1.26 -4.23 118.16 119.42 3kc4 n LYS 184 Ca -0.05 0.80 -0.39 0.00 -1.05 0.00 0.00 58.31 57.62 3kc4 n LYS 184 Cb 0.60 -2.49 0.02 0.00 -0.65 0.00 0.00 35.03 32.51 3kc4 n LYS 184 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3kc4 n PRO 185 N 0.29 0.38 -3.78 -1.58 -0.02 -1.26 -4.67 135.00 124.36 3kc4 n PRO 185 Ca 0.04 0.14 -0.14 0.00 -2.02 0.00 0.00 63.50 61.52 3kc4 n PRO 185 Cb 0.38 -1.45 -0.15 0.00 -0.02 0.00 0.00 33.50 32.26 3kc4 n PRO 185 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kc4 s GLU 186 N -1.65 0.03 -1.13 -0.52 2.12 -1.26 -5.02 118.70 111.26 3kc4 s GLU 186 Ca 0.64 0.24 -0.07 0.00 0.36 0.00 0.00 54.97 56.14 3kc4 s GLU 186 Cb -0.50 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 33.67 3kc4 s GLU 186 CO 0.58 -0.14 2.88 -2.13 -0.54 0.00 0.00 175.26 175.91 3kc4 n ARG 187 N 4.01 3.55 0.00 4.30 0.63 -1.26 -3.93 116.66 123.97 3kc4 n ARG 187 Ca -0.25 -2.40 0.12 0.00 -0.92 0.00 0.00 57.85 54.39 3kc4 n ARG 187 Cb 0.52 -2.54 0.13 0.00 0.45 0.00 0.00 32.46 31.02 3kc4 n ARG 187 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3kc4 n SER 188 N 2.53 2.16 0.00 6.15 7.64 -1.26 -4.48 113.62 126.36 3kc4 n SER 188 Ca 0.65 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.94 3kc4 n SER 188 Cb 0.39 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 3kc4 n SER 188 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3kc4 n ASP 189 N 0.35 0.00 -3.49 6.43 8.00 -1.25 -4.95 116.55 121.63 3kc4 n ASP 189 Ca 0.12 -0.51 -0.40 0.00 0.71 0.00 0.00 54.79 54.71 3kc4 n ASP 189 Cb 0.48 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.59 3kc4 n ASP 189 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kc4 n LEU 190 N 0.00 7.64 0.00 0.64 4.77 -1.26 -3.46 117.00 125.32 3kc4 n LEU 190 Ca 0.00 -5.10 0.00 0.00 -0.03 0.00 0.00 56.01 50.88 3kc4 n LEU 190 Cb 0.13 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 3kc4 n LEU 190 CO 0.00 2.03 0.00 -1.54 -1.33 0.00 0.00 177.39 176.55 3kc4 n SER 191 N 0.72 0.00 -0.16 -1.43 3.41 -1.26 -4.82 113.62 110.08 3kc4 n SER 191 Ca 0.54 -0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 58.53 3kc4 n SER 191 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3kc4 n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kc4 h ALA 192 N 0.00 0.63 0.00 7.33 0.00 -1.96 -3.22 119.26 122.03 3kc4 h ALA 192 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kc4 h ALA 192 Cb 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kc4 h ALA 192 CO 0.00 0.35 -0.02 -3.47 0.00 0.00 0.00 179.25 176.11 3kc4 n ASP 193 N -4.45 1.32 -4.39 0.00 4.64 -1.26 -5.07 116.55 107.35 3kc4 n ASP 193 Ca 0.01 -1.74 -0.27 0.00 -1.38 0.00 0.00 54.79 51.41 3kc4 n ASP 193 Cb 0.24 -0.03 -0.12 0.00 -1.04 0.00 0.00 41.12 40.17 3kc4 n ASP 193 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3kc4 s ILE 194 N -0.75 2.19 -0.02 5.18 1.01 -1.22 -5.03 121.20 122.55 3kc4 s ILE 194 Ca 0.02 -1.86 -0.08 0.00 0.00 0.00 0.00 60.65 58.73 3kc4 s ILE 194 Cb 0.02 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3kc4 s ILE 194 CO 0.00 -0.05 0.17 0.20 0.00 0.00 0.00 174.94 175.26 3kc4 s ASN 195 N -2.36 -0.06 0.37 3.58 -0.87 -1.26 -4.36 114.94 109.98 3kc4 s ASN 195 Ca 0.16 -0.01 0.07 0.00 -1.57 0.00 0.00 52.86 51.51 3kc4 s ASN 195 Cb -0.09 0.27 0.73 0.00 -0.02 0.00 0.00 41.25 42.15 3kc4 s ASN 195 CO 0.07 -0.29 1.95 1.05 -2.57 0.00 0.00 177.10 177.31 3kc4 h GLU 196 N 4.70 0.46 -0.15 -0.60 4.11 -1.93 -3.30 114.58 117.86 3kc4 h GLU 196 Ca -0.29 -0.07 -0.12 0.00 0.07 0.00 0.00 59.36 58.95 3kc4 h GLU 196 Cb 1.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3kc4 h GLU 196 CO 0.40 0.44 -0.42 1.12 0.07 0.00 0.00 179.01 180.63 3kc4 h HIS 197 N 0.45 0.40 0.31 2.06 2.07 -1.98 -3.24 115.15 115.21 3kc4 h HIS 197 Ca 0.11 -0.11 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 3kc4 h HIS 197 Cb 0.21 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.11 3kc4 h HIS 197 CO 0.01 0.71 -0.15 -0.07 -3.07 0.00 0.00 177.93 175.36 3kc4 h LEU 198 N 0.28 -0.35 -1.81 6.12 3.38 -1.97 -3.14 115.31 117.81 3kc4 h LEU 198 Ca 0.02 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3kc4 h LEU 198 Cb 0.86 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3kc4 h LEU 198 CO 0.07 -0.12 0.31 0.16 0.09 0.00 0.00 178.44 178.95 3kc4 h ILE 199 N -0.67 0.88 0.00 1.22 3.07 -1.75 -0.32 117.51 119.94 3kc4 h ILE 199 Ca -0.04 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.29 3kc4 h ILE 199 Cb 0.32 0.64 0.00 0.00 -0.27 0.00 0.00 36.82 37.51 3kc4 h ILE 199 CO 0.07 0.04 0.00 0.55 -1.05 0.00 0.00 178.15 177.76 3kc4 n VAL 200 N -4.46 0.58 -0.01 0.16 3.14 -1.22 -1.47 118.33 115.05 3kc4 n VAL 200 Ca 0.07 -0.04 -0.16 0.00 -2.96 0.00 0.00 64.34 61.24 3kc4 n VAL 200 Cb 0.37 -0.76 -0.12 0.00 -1.06 0.00 0.00 33.84 32.28 3kc4 n VAL 200 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3kc4 h GLU 201 N 0.00 0.27 0.52 1.45 5.08 -1.00 -2.87 114.58 118.04 3kc4 h GLU 201 Ca 0.00 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 3kc4 h GLU 201 Cb 0.54 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3kc4 h GLU 201 CO 0.00 1.03 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.63 3kc4 h LEU 202 N -0.35 -0.85 -1.75 1.33 4.07 -1.50 -3.18 115.31 113.07 3kc4 h LEU 202 Ca -0.06 0.05 0.36 0.00 0.08 0.00 0.00 57.88 58.31 3kc4 h LEU 202 Cb 1.19 0.26 -0.07 0.00 1.08 0.00 0.00 40.66 43.11 3kc4 h LEU 202 CO 0.08 -0.52 0.86 1.88 -1.08 0.00 0.00 178.44 179.66 3kc4 h TYR 203 N -0.82 0.25 0.00 1.13 0.99 -1.28 -3.37 116.97 113.86 3kc4 h TYR 203 Ca -0.06 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.58 3kc4 h TYR 203 Cb 0.68 -0.07 -0.02 0.00 1.00 0.00 0.00 36.73 38.32 3kc4 h TYR 203 CO -0.11 -0.01 -0.82 0.77 -0.00 0.00 0.00 178.16 177.99 3kc4 h SER 204 N 0.12 0.00 0.00 3.88 0.02 -1.48 -3.50 113.55 112.58 3kc4 h SER 204 Ca 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 3kc4 h SER 204 Cb 2.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.78 3kc4 h SER 204 CO -0.14 0.40 0.00 1.17 -1.14 0.00 0.00 176.83 177.12