#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6h n ASP 6 N 0.00 5.21 -4.89 -3.46 9.92 -1.26 -4.88 116.55 117.19 3k6h n ASP 6 Ca 0.00 -3.03 -0.29 0.00 -0.53 0.00 0.00 54.79 50.94 3k6h n ASP 6 Cb 0.00 -1.53 -0.04 0.00 -0.64 0.00 0.00 41.12 38.91 3k6h n ASP 6 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3k6h s ILE 7 N 1.06 4.97 0.04 0.53 1.10 -1.26 -5.10 121.20 122.54 3k6h s ILE 7 Ca 0.41 0.23 0.01 0.00 -0.51 0.00 0.00 60.65 60.79 3k6h s ILE 7 Cb 0.01 -3.71 -0.04 0.00 0.15 0.00 0.00 42.46 38.87 3k6h s ILE 7 CO 0.00 -0.31 0.13 -0.54 -2.11 0.00 0.00 174.94 172.12 3k6h s LYS 8 N -3.46 3.16 0.13 3.50 1.02 -1.26 -5.02 119.74 117.81 3k6h s LYS 8 Ca 0.46 -0.52 -0.18 0.00 0.02 0.00 0.00 55.97 55.75 3k6h s LYS 8 Cb -0.11 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 3k6h s LYS 8 CO 0.28 0.61 1.74 1.25 -0.92 0.00 0.00 175.35 178.32 3k6h h LEU 9 N 3.50 0.36 -0.45 3.17 5.85 -1.99 -0.90 115.31 124.86 3k6h h LEU 9 Ca -0.47 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.13 3k6h h LEU 9 Cb 1.17 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3k6h h LEU 9 CO 0.68 0.33 0.11 0.25 -0.34 0.00 0.00 178.44 179.47 3k6h h LEU 10 N 0.36 0.67 -0.58 2.25 5.85 -2.00 -1.05 115.31 120.82 3k6h h LEU 10 Ca 0.10 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3k6h h LEU 10 Cb 0.04 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3k6h h LEU 10 CO -0.02 0.73 0.17 0.44 -0.34 0.00 0.00 178.44 179.41 3k6h h ASP 11 N 0.59 0.85 -0.22 1.25 3.32 -1.97 -3.14 116.42 117.11 3k6h h ASP 11 Ca 0.14 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.02 3k6h h ASP 11 Cb 0.31 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3k6h h ASP 11 CO 0.00 0.84 -0.08 0.22 -1.72 0.00 0.00 179.24 178.50 3k6h h TYR 12 N 0.82 -0.19 -0.02 4.55 3.20 -0.87 -0.36 116.97 124.09 3k6h h TYR 12 Ca 0.18 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.08 3k6h h TYR 12 Cb 0.31 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 3k6h h TYR 12 CO 0.02 -0.13 0.26 -0.07 -1.64 0.00 0.00 178.16 176.60 3k6h h LEU 13 N -0.04 0.00 0.00 2.82 3.38 -1.15 -0.94 115.31 119.38 3k6h h LEU 13 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3k6h h LEU 13 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3k6h h LEU 13 CO -0.25 0.00 -0.84 0.03 0.09 0.00 0.00 178.44 177.48 3k6h h ARG 14 N 0.00 0.00 0.00 1.13 3.08 -1.10 -3.39 114.38 114.11 3k6h h ARG 14 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3k6h h ARG 14 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3k6h h ARG 14 CO -0.00 0.11 -0.96 1.33 -1.07 0.00 0.00 179.97 179.38 3k6h n VAL 15 N -2.86 0.00 -1.45 2.04 0.24 -0.75 -5.04 118.33 110.50 3k6h n VAL 15 Ca -0.01 -0.06 -0.61 0.00 -2.04 0.00 0.00 64.34 61.62 3k6h n VAL 15 Cb 0.63 0.52 -0.10 0.00 -1.47 0.00 0.00 33.84 33.41 3k6h n VAL 15 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3k6h n ARG 16 N -1.49 0.00 -3.87 7.34 0.63 -0.43 -4.95 116.66 113.89 3k6h n ARG 16 Ca -0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.77 3k6h n ARG 16 Cb 0.03 -1.41 -0.16 0.00 0.45 0.00 0.00 32.46 31.37 3k6h n ARG 16 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3k6h s ARG 17 N 3.95 0.13 0.30 -0.14 1.81 -1.26 -5.08 118.95 118.66 3k6h s ARG 17 Ca 1.04 0.09 -0.29 0.00 -1.72 0.00 0.00 55.73 54.85 3k6h s ARG 17 Cb -1.41 -0.31 -0.10 0.00 -0.45 0.00 0.00 34.95 32.68 3k6h s ARG 17 CO 0.71 -0.11 1.38 -1.12 -0.68 0.00 0.00 175.30 175.48 3k6h s SER 18 N 0.81 6.67 -0.04 0.23 0.01 -1.26 -4.86 113.70 115.25 3k6h s SER 18 Ca -0.07 2.72 0.02 0.00 1.31 0.00 0.00 55.95 59.93 3k6h s SER 18 Cb -0.11 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 3k6h s SER 18 CO -0.02 -0.64 -0.09 0.42 0.41 0.00 0.00 173.24 173.32 3k6h s THR 19 N -0.66 3.54 0.60 1.44 -4.23 -1.25 -4.87 115.64 110.21 3k6h s THR 19 Ca 0.54 -0.61 -0.18 0.00 -1.18 0.00 0.00 61.69 60.25 3k6h s THR 19 Cb -0.41 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 3k6h s THR 19 CO 0.50 0.54 1.16 -2.84 -0.54 0.00 0.00 174.62 173.44 3k6h s PRO 20 N -0.95 3.01 0.13 3.99 0.02 -1.26 -3.88 135.00 136.06 3k6h s PRO 20 Ca 0.13 1.65 -0.25 0.00 0.02 0.00 0.00 61.00 62.55 3k6h s PRO 20 Cb -0.11 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 3k6h s PRO 20 CO 0.03 -1.13 1.64 0.00 -0.33 0.00 0.00 177.00 177.21 3k6h h ALA 21 N 0.72 -0.27 -0.88 -1.55 0.00 -1.92 -2.17 119.26 113.20 3k6h h ALA 21 Ca -0.49 0.02 0.30 0.00 0.00 0.00 0.00 54.91 54.74 3k6h h ALA 21 Cb 1.27 0.44 -0.16 0.00 0.00 0.00 0.00 17.79 19.34 3k6h h ALA 21 CO 0.55 -0.72 0.24 -0.11 0.00 0.00 0.00 179.25 179.21 3k6h n LEU 22 N -5.36 0.10 -2.16 0.00 7.94 -1.26 0.90 117.00 117.15 3k6h n LEU 22 Ca -0.04 1.48 -0.23 0.00 -1.11 0.00 0.00 56.01 56.11 3k6h n LEU 22 Cb 0.28 -0.63 0.18 0.00 0.53 0.00 0.00 43.42 43.78 3k6h n LEU 22 CO 0.20 -1.58 1.25 0.00 -1.11 0.00 0.00 177.39 176.16 3k6h n GLN 23 N -5.14 2.23 -3.45 1.96 10.64 -0.83 -4.93 117.38 117.87 3k6h n GLN 23 Ca 0.27 -3.03 -0.36 0.00 -1.83 0.00 0.00 57.00 52.04 3k6h n GLN 23 Cb 0.90 -2.16 -0.06 0.00 -0.86 0.00 0.00 30.24 28.07 3k6h n GLN 23 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3k6h s LEU 24 N -3.31 4.40 0.16 2.61 1.02 0.26 -4.81 118.68 119.00 3k6h s LEU 24 Ca 0.56 0.99 0.02 0.00 0.02 0.00 0.00 54.13 55.72 3k6h s LEU 24 Cb 0.48 -2.95 -0.05 0.00 0.02 0.00 0.00 46.19 43.69 3k6h s LEU 24 CO 0.10 0.21 -0.00 -0.44 0.02 0.00 0.00 176.35 176.23 3k6h s SER 25 N -1.48 1.12 0.43 2.29 0.01 -0.07 -4.61 113.70 111.40 3k6h s SER 25 Ca 0.31 -1.16 -0.25 0.00 1.31 0.00 0.00 55.95 56.17 3k6h s SER 25 Cb -0.16 0.13 -0.08 0.00 0.21 0.00 0.00 66.02 66.12 3k6h s SER 25 CO 0.17 -0.57 1.30 -0.70 0.41 0.00 0.00 173.24 173.85 3k6h s GLU 26 N -3.92 3.84 0.37 12.44 2.56 -1.26 -0.14 118.70 132.60 3k6h s GLU 26 Ca 0.22 2.14 -0.05 0.00 0.00 0.00 0.00 54.97 57.29 3k6h s GLU 26 Cb 0.06 -2.66 -0.04 0.00 2.00 0.00 0.00 34.13 33.48 3k6h s GLU 26 CO 0.03 -0.59 0.65 -1.25 -0.56 0.00 0.00 175.26 173.53 3k6h s PRO 27 N -2.37 3.60 0.27 4.30 0.05 -1.26 -4.71 135.00 134.87 3k6h s PRO 27 Ca 0.59 0.05 0.03 0.00 0.05 0.00 0.00 61.00 61.72 3k6h s PRO 27 Cb -0.38 -2.54 0.05 0.00 0.05 0.00 0.00 34.50 31.68 3k6h s PRO 27 CO 0.48 0.05 0.37 0.41 0.05 0.00 0.00 177.00 178.35 3k6h n GLY 28 N -1.54 1.65 3.77 0.56 0.00 -1.26 -3.53 105.19 104.83 3k6h n GLY 28 Ca -0.01 -2.13 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 3k6h n GLY 28 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k6h s PRO 29 N -3.23 4.32 0.86 1.61 0.02 -1.26 -5.03 135.00 132.28 3k6h s PRO 29 Ca 0.27 2.02 -0.11 0.00 0.02 0.00 0.00 61.00 63.19 3k6h s PRO 29 Cb -0.02 -2.98 0.11 0.00 0.02 0.00 0.00 34.50 31.63 3k6h s PRO 29 CO 0.17 -0.15 1.09 -1.54 -0.33 0.00 0.00 177.00 176.25 3k6h s SER 30 N -0.76 3.82 0.30 2.53 1.04 -1.26 -4.62 113.70 114.75 3k6h s SER 30 Ca 0.50 1.51 0.05 0.00 0.48 0.00 0.00 55.95 58.50 3k6h s SER 30 Cb -0.35 -2.21 0.71 0.00 0.10 0.00 0.00 66.02 64.27 3k6h s SER 30 CO 0.46 -2.42 1.79 0.50 0.98 0.00 0.00 173.24 174.55 3k6h h LYS 31 N -1.40 0.78 0.09 4.02 1.63 -1.98 0.47 116.57 120.18 3k6h h LYS 31 Ca -0.48 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 3k6h h LYS 31 Cb 1.27 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.71 3k6h h LYS 31 CO 0.55 0.51 -0.25 0.78 -3.45 0.00 0.00 179.45 177.59 3k6h h GLY 32 N 0.80 -1.16 0.45 5.01 0.00 -2.00 0.43 103.07 106.60 3k6h h GLY 32 Ca 0.57 0.56 0.12 0.00 0.00 0.00 0.00 47.33 48.58 3k6h h GLY 32 CO -0.36 -0.36 0.63 0.83 0.00 0.00 0.00 176.54 177.27 3k6h h GLU 33 N -0.38 0.95 -0.53 4.80 5.08 -1.45 -1.93 114.58 121.12 3k6h h GLU 33 Ca -0.01 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3k6h h GLU 33 Cb 0.37 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3k6h h GLU 33 CO -0.12 0.63 0.11 0.82 -1.00 0.00 0.00 179.01 179.45 3k6h h ILE 34 N 0.98 1.25 -0.85 3.13 2.04 0.05 -1.98 117.51 122.13 3k6h h ILE 34 Ca 0.50 -0.89 0.08 0.00 1.00 0.00 0.00 64.86 65.55 3k6h h ILE 34 Cb 0.52 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 3k6h h ILE 34 CO -0.27 0.32 0.51 -0.33 0.00 0.00 0.00 178.15 178.38 3k6h h GLU 35 N 0.75 0.86 -0.26 2.37 5.08 -0.12 -2.26 114.58 121.00 3k6h h GLU 35 Ca 0.16 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 3k6h h GLU 35 Cb 0.36 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3k6h h GLU 35 CO 0.00 0.57 -0.35 1.49 -1.00 0.00 0.00 179.01 179.73 3k6h h GLU 36 N 0.89 0.69 -0.92 2.33 4.57 -1.37 0.19 114.58 120.96 3k6h h GLU 36 Ca 0.39 -0.40 0.20 0.00 -1.18 0.00 0.00 59.36 58.37 3k6h h GLU 36 Cb 0.28 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 28.79 3k6h h GLU 36 CO -0.21 1.02 0.47 0.82 -1.18 0.00 0.00 179.01 179.93 3k6h h ILE 37 N 0.42 0.60 0.08 2.32 2.04 -0.91 -0.93 117.51 121.12 3k6h h ILE 37 Ca 0.03 -0.19 -0.27 0.00 1.00 0.00 0.00 64.86 65.43 3k6h h ILE 37 Cb 0.93 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3k6h h ILE 37 CO 0.08 0.10 -1.31 -0.07 0.00 0.00 0.00 178.15 176.96 3k6h h LEU 38 N 0.55 0.25 -2.17 1.44 3.38 -1.31 -2.04 115.31 115.42 3k6h h LEU 38 Ca 0.55 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3k6h h LEU 38 Cb 0.94 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3k6h h LEU 38 CO -0.45 1.25 -0.05 -0.09 0.09 0.00 0.00 178.44 179.19 3k6h h ARG 39 N 0.04 0.00 0.01 1.13 2.43 -0.34 -1.93 114.38 115.72 3k6h h ARG 39 Ca -0.15 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.73 3k6h h ARG 39 Cb 1.93 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.43 3k6h h ARG 39 CO 0.16 0.05 -1.72 -0.11 -1.51 0.00 0.00 179.97 176.83 3k6h n LEU 40 N -3.97 0.95 0.17 3.80 7.94 -0.41 -4.24 117.00 121.25 3k6h n LEU 40 Ca -0.03 0.41 0.09 0.00 -1.11 0.00 0.00 56.01 55.37 3k6h n LEU 40 Cb 0.14 0.12 0.09 0.00 0.53 0.00 0.00 43.42 44.30 3k6h n LEU 40 CO 0.30 0.41 0.56 0.00 -1.11 0.00 0.00 177.39 177.55 3k6h h ALA 41 N 0.96 0.83 -0.09 1.96 0.00 -0.64 -3.27 119.26 119.00 3k6h h ALA 41 Ca -0.29 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3k6h h ALA 41 Cb 2.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3k6h h ALA 41 CO 0.08 0.22 0.00 1.33 0.00 0.00 0.00 179.25 180.88 3k6h n VAL 42 N -3.07 0.11 -2.95 0.00 0.24 -0.80 -4.37 118.33 107.50 3k6h n VAL 42 Ca 0.02 -0.21 -0.44 0.00 -2.04 0.00 0.00 64.34 61.67 3k6h n VAL 42 Cb 0.61 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 3k6h n VAL 42 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3k6h n ARG 43 N -0.10 3.47 -4.32 7.34 1.74 -1.24 -4.98 116.66 118.57 3k6h n ARG 43 Ca 0.16 -3.95 -0.22 0.00 -0.77 0.00 0.00 57.85 53.07 3k6h n ARG 43 Cb 0.24 -2.92 -0.11 0.00 -1.02 0.00 0.00 32.46 28.65 3k6h n ARG 43 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3k6h s VAL 44 N 0.73 1.78 0.61 1.55 -7.23 -1.26 -5.11 120.40 111.47 3k6h s VAL 44 Ca 0.40 -1.89 -0.18 0.00 -1.81 0.00 0.00 61.98 58.51 3k6h s VAL 44 Cb -0.02 -1.81 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 3k6h s VAL 44 CO -0.01 -0.31 0.62 -2.65 -0.31 0.00 0.00 175.10 172.44 3k6h n PRO 45 N 0.35 0.54 -2.66 4.82 -0.02 -1.26 -4.96 135.00 131.80 3k6h n PRO 45 Ca -0.14 0.22 -0.03 0.00 -2.02 0.00 0.00 63.50 61.53 3k6h n PRO 45 Cb 0.57 -1.83 0.04 0.00 -0.02 0.00 0.00 33.50 32.26 3k6h n PRO 45 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3k6h n ASP 46 N 0.02 -1.26 -4.64 2.55 4.64 -1.26 -4.76 116.55 111.84 3k6h n ASP 46 Ca 0.12 -0.90 -0.47 0.00 -1.38 0.00 0.00 54.79 52.15 3k6h n ASP 46 Cb 0.48 0.64 -0.04 0.00 -1.04 0.00 0.00 41.12 41.16 3k6h n ASP 46 CO 0.00 0.00 0.00 1.57 -0.82 0.00 0.00 177.20 177.95 3k6h n HIS 47 N 2.39 2.00 -1.01 -0.67 -0.00 -1.26 -0.84 115.22 115.83 3k6h n HIS 47 Ca 0.09 0.42 -0.00 0.00 -0.00 0.00 0.00 57.72 58.23 3k6h n HIS 47 Cb 0.67 -2.46 -0.00 0.00 -0.00 0.00 0.00 29.99 28.20 3k6h n HIS 47 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3k6h n GLY 48 N 2.86 0.47 3.69 1.57 0.00 -1.26 -4.18 105.19 108.33 3k6h n GLY 48 Ca 0.16 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 3k6h n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k6h n LYS 49 N -2.80 -0.82 -0.14 1.61 5.02 -0.02 -4.81 118.16 116.20 3k6h n LYS 49 Ca -0.00 -0.04 0.06 0.00 -2.02 0.00 0.00 58.31 56.30 3k6h n LYS 49 Cb 0.03 -1.64 0.12 0.00 -0.02 0.00 0.00 35.03 33.53 3k6h n LYS 49 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3k6h n LEU 50 N -3.14 2.66 -3.49 -0.35 -0.00 -1.26 -5.05 117.00 106.37 3k6h n LEU 50 Ca -0.14 -2.54 -0.19 0.00 -0.00 0.00 0.00 56.01 53.13 3k6h n LEU 50 Cb 0.37 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 3k6h n LEU 50 CO 0.46 0.64 -0.19 0.00 -0.00 0.00 0.00 177.39 178.30 3k6h n ALA 51 N -0.61 -2.35 -0.65 1.47 0.00 -1.26 -4.76 120.51 112.35 3k6h n ALA 51 Ca 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 3k6h n ALA 51 Cb 0.53 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 3k6h n ALA 51 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3k6h n PRO 52 N -2.16 1.31 -3.64 0.00 -0.02 -1.26 -4.81 135.00 124.42 3k6h n PRO 52 Ca -0.24 -0.35 -0.10 0.00 -2.02 0.00 0.00 63.50 60.79 3k6h n PRO 52 Cb 0.52 -1.37 -0.04 0.00 -0.02 0.00 0.00 33.50 32.58 3k6h n PRO 52 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3k6h s TRP 53 N 0.46 -0.21 0.07 6.00 1.48 -1.26 -1.16 118.94 124.32 3k6h s TRP 53 Ca 0.23 -0.10 -0.14 0.00 -1.06 0.00 0.00 56.10 55.03 3k6h s TRP 53 Cb 0.11 0.30 0.02 0.00 -1.16 0.00 0.00 33.47 32.74 3k6h s TRP 53 CO 0.00 -0.74 0.32 -0.98 -4.06 0.00 0.00 176.95 171.49 3k6h s ARG 54 N -3.81 0.89 0.04 3.25 1.70 -0.34 -4.86 118.95 115.81 3k6h s ARG 54 Ca 0.04 -0.61 0.08 0.00 -0.47 0.00 0.00 55.73 54.77 3k6h s ARG 54 Cb 0.01 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 3k6h s ARG 54 CO -0.11 -0.30 -0.23 -0.06 -1.08 0.00 0.00 175.30 173.52 3k6h s PHE 55 N -3.04 2.00 -0.07 5.89 0.40 -1.26 -0.39 117.98 121.50 3k6h s PHE 55 Ca -0.02 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 3k6h s PHE 55 Cb 0.01 -1.20 0.02 0.00 0.51 0.00 0.00 43.02 42.35 3k6h s PHE 55 CO -0.06 0.09 -0.08 0.08 0.70 0.00 0.00 175.22 175.94 3k6h s VAL 56 N -0.77 0.91 -0.38 -0.44 1.01 -0.33 -4.95 120.40 115.45 3k6h s VAL 56 Ca 0.09 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 3k6h s VAL 56 Cb -0.09 -0.89 0.07 0.00 0.00 0.00 0.00 36.38 35.47 3k6h s VAL 56 CO 0.02 0.32 0.17 -0.69 0.00 0.00 0.00 175.10 174.91 3k6h s VAL 57 N 1.07 3.74 -0.25 2.92 1.01 -1.26 -0.03 120.40 127.59 3k6h s VAL 57 Ca -0.08 -1.45 -0.16 0.00 0.00 0.00 0.00 61.98 60.29 3k6h s VAL 57 Cb -0.14 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 3k6h s VAL 57 CO -0.01 -0.39 0.44 -0.31 0.00 0.00 0.00 175.10 174.83 3k6h s TYR 58 N 1.34 3.29 0.13 5.22 2.02 0.26 -4.96 117.35 124.64 3k6h s TYR 58 Ca 0.02 0.56 0.05 0.00 -0.37 0.00 0.00 57.07 57.32 3k6h s TYR 58 Cb -0.21 -2.62 -0.04 0.00 -0.40 0.00 0.00 41.96 38.68 3k6h s TYR 58 CO 0.01 -0.19 -0.11 1.03 -1.57 0.00 0.00 175.55 174.71 3k6h s ARG 59 N 1.96 1.01 0.59 -0.62 0.52 -1.26 -1.85 118.95 119.30 3k6h s ARG 59 Ca 0.19 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 3k6h s ARG 59 Cb -0.15 -0.70 0.00 0.00 0.52 0.00 0.00 34.95 34.62 3k6h s ARG 59 CO 0.09 0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.93 3k6h n GLY 60 N 0.17 1.94 0.17 -3.53 0.00 -1.26 -2.78 105.19 99.90 3k6h n GLY 60 Ca -0.13 0.52 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 3k6h n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3k6h h GLU 61 N 0.00 0.60 0.00 1.61 4.57 -1.97 -3.12 114.58 116.27 3k6h h GLU 61 Ca 0.00 -0.82 0.00 0.00 -1.18 0.00 0.00 59.36 57.36 3k6h h GLU 61 Cb 0.00 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3k6h h GLU 61 CO 0.00 1.37 0.00 0.39 -1.18 0.00 0.00 179.01 179.59 3k6h n GLU 62 N -3.82 0.01 -0.04 1.92 4.71 -1.12 0.07 120.64 122.37 3k6h n GLU 62 Ca -0.14 0.42 -0.15 0.00 -0.01 0.00 0.00 57.16 57.28 3k6h n GLU 62 Cb 0.98 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.83 3k6h n GLU 62 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3k6h h ARG 63 N 0.00 0.51 -0.34 3.49 3.08 -1.62 -2.54 114.38 116.96 3k6h h ARG 63 Ca 0.00 -0.38 -0.14 0.00 0.07 0.00 0.00 59.98 59.53 3k6h h ARG 63 Cb 0.03 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3k6h h ARG 63 CO 0.00 1.00 -0.34 0.28 -1.07 0.00 0.00 179.97 179.84 3k6h h VAL 64 N 0.13 1.28 -0.75 2.04 2.07 -0.51 -0.70 116.25 119.82 3k6h h VAL 64 Ca -0.01 -1.51 0.12 0.00 0.82 0.00 0.00 66.70 66.12 3k6h h VAL 64 Cb 1.04 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 32.19 3k6h h VAL 64 CO 0.09 0.50 0.34 -0.09 0.02 0.00 0.00 177.57 178.43 3k6h h ARG 65 N 0.62 0.52 -0.10 1.57 2.43 -1.46 0.17 114.38 118.13 3k6h h ARG 65 Ca 0.05 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3k6h h ARG 65 Cb 0.92 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3k6h h ARG 65 CO 0.08 0.35 -0.28 -0.07 -1.51 0.00 0.00 179.97 178.55 3k6h h LEU 66 N 0.54 0.42 -0.71 3.80 3.38 -1.24 -1.95 115.31 119.55 3k6h h LEU 66 Ca 0.39 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3k6h h LEU 66 Cb 0.51 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3k6h h LEU 66 CO -0.34 0.94 0.47 0.28 0.09 0.00 0.00 178.44 179.88 3k6h h SER 67 N -0.08 0.81 -0.85 -0.43 0.02 -0.97 -0.38 113.55 111.68 3k6h h SER 67 Ca -0.01 -0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.02 3k6h h SER 67 Cb 0.89 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.15 3k6h h SER 67 CO 0.06 0.59 0.49 -0.08 -1.14 0.00 0.00 176.83 176.75 3k6h h GLU 68 N 0.96 0.78 -0.68 3.45 4.57 -0.61 -1.17 114.58 121.89 3k6h h GLU 68 Ca 0.26 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.31 3k6h h GLU 68 Cb -0.11 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.28 3k6h h GLU 68 CO -0.06 0.52 0.11 0.00 -1.18 0.00 0.00 179.01 178.40 3k6h h ALA 69 N 1.47 0.90 0.36 2.92 0.00 -0.51 -2.18 119.26 122.22 3k6h h ALA 69 Ca 0.41 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k6h h ALA 69 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3k6h h ALA 69 CO -0.26 0.67 -0.36 0.00 0.00 0.00 0.00 179.25 179.30 3k6h h ALA 70 N 1.05 -0.78 -0.98 0.00 0.00 0.07 -1.42 119.26 117.20 3k6h h ALA 70 Ca 0.21 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.19 3k6h h ALA 70 Cb 0.44 0.53 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 3k6h h ALA 70 CO 0.01 -0.98 0.61 1.25 0.00 0.00 0.00 179.25 180.15 3k6h h LEU 71 N -0.75 0.68 -0.24 0.00 5.85 -1.25 0.31 115.31 119.91 3k6h h LEU 71 Ca -0.02 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3k6h h LEU 71 Cb 0.68 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3k6h h LEU 71 CO -0.07 0.25 0.11 -0.09 -0.34 0.00 0.00 178.44 178.30 3k6h h ARG 72 N 0.67 0.35 0.00 1.25 2.43 -0.71 -1.48 114.38 116.88 3k6h h ARG 72 Ca 0.55 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.58 3k6h h ARG 72 Cb 0.98 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3k6h h ARG 72 CO -0.32 0.37 -0.41 0.82 -1.51 0.00 0.00 179.97 178.92 3k6h h ILE 73 N 0.25 1.01 0.00 1.20 2.04 -0.26 -1.12 117.51 120.63 3k6h h ILE 73 Ca 0.08 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.36 3k6h h ILE 73 Cb 0.14 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3k6h h ILE 73 CO -0.01 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.54 3k6h n ALA 74 N -2.33 2.32 -0.10 1.87 0.00 0.98 -1.78 120.51 121.47 3k6h n ALA 74 Ca -0.01 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 3k6h n ALA 74 Cb 0.51 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 3k6h n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k6h n LEU 75 N -1.60 2.24 -0.29 0.00 4.77 -0.59 -3.19 117.00 118.35 3k6h n LEU 75 Ca 0.07 -0.03 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 3k6h n LEU 75 Cb 0.35 -0.62 0.18 0.00 -2.33 0.00 0.00 43.42 41.01 3k6h n LEU 75 CO 0.27 0.81 1.13 -0.33 -1.33 0.00 0.00 177.39 177.94 3k6h h GLU 76 N 0.01 0.71 0.74 3.23 5.08 -1.17 -2.43 114.58 120.75 3k6h h GLU 76 Ca -0.54 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.75 3k6h h GLU 76 Cb 1.99 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 31.09 3k6h h GLU 76 CO -0.03 0.47 -0.36 0.87 -1.00 0.00 0.00 179.01 178.97 3k6h h LYS 77 N 0.73 -0.96 -3.38 2.33 1.57 -1.51 -3.42 116.57 111.93 3k6h h LYS 77 Ca 0.42 0.07 -0.60 0.00 -1.87 0.00 0.00 60.65 58.66 3k6h h LYS 77 Cb 0.45 0.22 -0.40 0.00 0.08 0.00 0.00 32.23 32.58 3k6h h LYS 77 CO -0.28 -0.64 -0.75 1.21 -0.57 0.00 0.00 179.45 178.42 3k6h s ASN 78 N -3.89 3.91 0.00 0.86 2.47 -1.09 -5.02 114.94 112.18 3k6h s ASN 78 Ca -0.14 -2.08 0.18 0.00 0.42 0.00 0.00 52.86 51.23 3k6h s ASN 78 Cb 0.01 -0.97 1.06 0.00 -1.45 0.00 0.00 41.25 39.90 3k6h s ASN 78 CO 0.43 -0.35 1.47 -2.65 -3.72 0.00 0.00 177.10 172.28 3k6h n PRO 79 N 4.27 0.55 -3.34 0.43 -0.02 -0.94 -3.69 135.00 132.27 3k6h n PRO 79 Ca 0.03 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.26 3k6h n PRO 79 Cb 0.39 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.29 3k6h n PRO 79 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3k6h n ASP 80 N -1.01 1.05 -4.81 2.55 5.68 -1.26 -5.03 116.55 113.72 3k6h n ASP 80 Ca 0.13 -2.83 -0.31 0.00 -0.50 0.00 0.00 54.79 51.27 3k6h n ASP 80 Cb 0.06 -0.64 -0.06 0.00 -1.14 0.00 0.00 41.12 39.34 3k6h n ASP 80 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 3k6h s LEU 81 N -1.24 3.96 0.60 -2.12 0.05 -1.24 -5.08 118.68 113.60 3k6h s LEU 81 Ca 0.35 0.10 -0.19 0.00 0.05 0.00 0.00 54.13 54.44 3k6h s LEU 81 Cb 0.12 -2.52 -0.05 0.00 -2.05 0.00 0.00 46.19 41.69 3k6h s LEU 81 CO -0.11 0.20 0.95 -0.90 -0.55 0.00 0.00 176.35 175.94 3k6h n ASP 82 N 0.65 0.70 0.14 1.48 5.75 -1.26 -4.65 116.55 119.36 3k6h n ASP 82 Ca -0.09 0.81 0.06 0.00 -0.01 0.00 0.00 54.79 55.56 3k6h n ASP 82 Cb 0.52 -1.38 0.33 0.00 -1.03 0.00 0.00 41.12 39.56 3k6h n ASP 82 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k6h n LEU 83 N -0.68 0.32 0.00 -2.12 -0.00 -1.26 -0.96 117.00 112.30 3k6h n LEU 83 Ca 0.13 0.55 -0.04 0.00 -0.00 0.00 0.00 56.01 56.65 3k6h n LEU 83 Cb 0.47 -0.51 -0.03 0.00 -0.00 0.00 0.00 43.42 43.35 3k6h n LEU 83 CO 0.50 -0.65 0.13 -0.61 -0.00 0.00 0.00 177.39 176.75 3k6h h GLN 84 N 0.00 -0.12 -0.14 1.47 4.15 -2.00 -3.08 115.11 115.40 3k6h h GLN 84 Ca 0.00 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.47 3k6h h GLN 84 Cb 0.51 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 3k6h h GLN 84 CO 0.00 0.09 0.10 1.96 -1.93 0.00 0.00 178.83 179.05 3k6h h GLN 85 N -1.01 0.00 -0.30 1.69 4.20 -1.36 -0.13 115.11 118.20 3k6h h GLN 85 Ca -0.01 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 3k6h h GLN 85 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3k6h h GLN 85 CO 0.02 0.00 -0.42 1.96 -0.67 0.00 0.00 178.83 179.72 3k6h h GLN 86 N 0.00 0.73 0.57 1.46 4.20 -1.40 -3.20 115.11 117.47 3k6h h GLN 86 Ca 0.07 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 3k6h h GLN 86 Cb 0.27 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3k6h h GLN 86 CO -0.00 1.01 -0.40 1.49 -0.67 0.00 0.00 178.83 180.26 3k6h h GLU 87 N 0.60 -0.91 -0.96 1.46 4.57 -0.92 -2.12 114.58 116.30 3k6h h GLU 87 Ca 0.04 0.06 0.28 0.00 -1.18 0.00 0.00 59.36 58.57 3k6h h GLU 87 Cb 0.97 0.21 -0.18 0.00 -0.16 0.00 0.00 28.75 29.59 3k6h h GLU 87 CO 0.09 -0.60 0.08 0.00 -1.18 0.00 0.00 179.01 177.40 3k6h n ALA 88 N -2.66 0.55 -0.03 2.92 0.00 -1.04 -1.57 120.51 118.69 3k6h n ALA 88 Ca -0.12 1.02 -0.16 0.00 0.00 0.00 0.00 53.44 54.17 3k6h n ALA 88 Cb 0.42 -0.78 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 3k6h n ALA 88 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3k6h h GLU 89 N 0.00 0.62 -0.64 0.00 4.39 -1.44 -1.43 114.58 116.07 3k6h h GLU 89 Ca 0.61 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3k6h h GLU 89 Cb 1.31 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 3k6h h GLU 89 CO -0.88 1.12 0.00 2.89 -1.16 0.00 0.00 179.01 180.98 3k6h n ARG 90 N -4.13 0.71 0.00 2.33 1.85 -0.61 -2.46 116.66 114.35 3k6h n ARG 90 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 3k6h n ARG 90 Cb 0.65 -1.32 0.00 0.00 -1.05 0.00 0.00 32.46 30.74 3k6h n ARG 90 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3k6h n THR 91 N 0.08 0.00 -0.29 8.89 -1.04 -0.91 -4.67 114.28 116.35 3k6h n THR 91 Ca 0.00 -0.06 -0.03 0.00 -2.04 0.00 0.00 64.05 61.92 3k6h n THR 91 Cb 0.16 0.48 -0.00 0.00 -1.82 0.00 0.00 70.33 69.15 3k6h n THR 91 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3k6h n ARG 92 N -0.42 -0.22 0.00 -2.82 5.12 -0.59 -1.25 116.66 116.47 3k6h n ARG 92 Ca 0.00 1.13 0.11 0.00 -1.93 0.00 0.00 57.85 57.17 3k6h n ARG 92 Cb 0.00 -1.67 0.08 0.00 -1.16 0.00 0.00 32.46 29.71 3k6h n ARG 92 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3k6h n PHE 93 N -5.04 0.00 -1.31 -1.55 3.72 -1.26 -4.23 117.46 107.79 3k6h n PHE 93 Ca 0.06 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.27 3k6h n PHE 93 Cb 0.26 -0.02 0.18 0.00 -0.94 0.00 0.00 39.48 38.96 3k6h n PHE 93 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3k6h n THR 94 N -0.07 3.04 0.02 4.37 -2.24 -0.38 -4.35 114.28 114.66 3k6h n THR 94 Ca 0.10 -2.24 -0.17 0.00 -2.27 0.00 0.00 64.05 59.47 3k6h n THR 94 Cb 0.45 -0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 68.07 3k6h n THR 94 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3k6h h ARG 95 N 1.06 0.21 -5.79 -0.78 3.08 -1.71 -3.47 114.38 106.97 3k6h h ARG 95 Ca 0.52 -0.35 -0.52 0.00 0.07 0.00 0.00 59.98 59.69 3k6h h ARG 95 Cb 2.42 0.13 -0.25 0.00 0.08 0.00 0.00 29.97 32.35 3k6h h ARG 95 CO 0.92 1.02 -0.82 0.00 -1.07 0.00 0.00 179.97 180.03 3k6h s ALA 96 N -2.59 1.53 0.15 0.04 0.00 -1.26 -4.53 121.76 115.10 3k6h s ALA 96 Ca -0.14 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 50.63 3k6h s ALA 96 Cb 0.07 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.95 3k6h s ALA 96 CO 0.81 0.32 1.21 -2.30 0.00 0.00 0.00 175.76 175.81 3k6h n PRO 97 N 1.77 -0.29 -4.26 0.00 -0.02 -1.24 -4.49 135.00 126.47 3k6h n PRO 97 Ca -0.18 1.19 -0.29 0.00 -2.02 0.00 0.00 63.50 62.20 3k6h n PRO 97 Cb 0.54 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 32.15 3k6h n PRO 97 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3k6h s VAL 98 N -5.52 3.13 -0.08 -1.45 1.01 -1.12 -4.20 120.40 112.18 3k6h s VAL 98 Ca -0.10 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 60.47 3k6h s VAL 98 Cb 0.11 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 34.06 3k6h s VAL 98 CO 0.51 0.09 0.00 -0.69 0.00 0.00 0.00 175.10 175.01 3k6h s VAL 99 N -1.23 0.37 -0.29 2.92 1.01 -0.77 -1.99 120.40 120.43 3k6h s VAL 99 Ca 0.20 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.21 3k6h s VAL 99 Cb -0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 3k6h s VAL 99 CO 0.12 0.24 0.11 -0.63 0.00 0.00 0.00 175.10 174.94 3k6h s ILE 100 N 1.97 4.34 -0.23 2.22 1.01 -0.18 -0.58 121.20 129.76 3k6h s ILE 100 Ca 0.05 -0.40 -0.24 0.00 0.00 0.00 0.00 60.65 60.06 3k6h s ILE 100 Cb -0.12 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 3k6h s ILE 100 CO -0.05 0.17 0.80 0.00 0.00 0.00 0.00 174.94 175.85 3k6h s ALA 101 N 1.59 3.62 -0.25 9.38 0.00 0.95 -1.01 121.76 136.04 3k6h s ALA 101 Ca 0.05 -0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.71 3k6h s ALA 101 Cb -0.16 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3k6h s ALA 101 CO 0.04 -0.85 0.38 0.08 0.00 0.00 0.00 175.76 175.41 3k6h s VAL 102 N 2.65 5.18 -0.16 0.00 1.01 -0.39 -1.19 120.40 127.51 3k6h s VAL 102 Ca 0.34 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.92 3k6h s VAL 102 Cb -0.16 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3k6h s VAL 102 CO 0.08 0.19 -0.06 -0.63 0.00 0.00 0.00 175.10 174.68 3k6h s ILE 103 N 1.80 3.54 0.03 2.22 -1.09 0.48 0.66 121.20 128.84 3k6h s ILE 103 Ca 0.16 -0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 57.81 3k6h s ILE 103 Cb -0.15 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 3k6h s ILE 103 CO 0.09 0.48 0.96 -0.55 -1.23 0.00 0.00 174.94 174.69 3k6h s SER 104 N 0.61 7.39 -0.44 3.58 0.15 0.11 -1.20 113.70 123.90 3k6h s SER 104 Ca -0.04 1.68 0.05 0.00 0.70 0.00 0.00 55.95 58.33 3k6h s SER 104 Cb -0.15 -2.57 0.42 0.00 -1.71 0.00 0.00 66.02 62.02 3k6h s SER 104 CO 0.03 -0.19 1.20 0.35 1.20 0.00 0.00 173.24 175.82 3k6h n THR 105 N 3.52 2.49 -3.06 6.45 -2.24 -0.31 -2.55 114.28 118.58 3k6h n THR 105 Ca 0.04 -4.74 -0.40 0.00 -2.27 0.00 0.00 64.05 56.68 3k6h n THR 105 Cb 0.50 -1.24 -0.05 0.00 -2.10 0.00 0.00 70.33 67.44 3k6h n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k6h s ALA 106 N -3.59 3.47 0.22 6.98 0.00 -1.26 -4.75 121.76 122.83 3k6h s ALA 106 Ca 0.49 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.38 3k6h s ALA 106 Cb 0.41 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 3k6h s ALA 106 CO -0.16 -0.40 0.07 -1.59 0.00 0.00 0.00 175.76 173.68 3k6h s LYS 107 N 1.53 1.28 0.08 0.00 -2.85 -1.26 -4.89 119.74 113.62 3k6h s LYS 107 Ca 0.33 -1.67 -0.31 0.00 -1.00 0.00 0.00 55.97 53.33 3k6h s LYS 107 Cb -0.16 -0.20 -0.08 0.00 -2.06 0.00 0.00 37.83 35.33 3k6h s LYS 107 CO 0.13 -0.25 1.59 -2.14 0.10 0.00 0.00 175.35 174.78 3k6h s PRO 108 N -4.01 4.22 0.50 1.78 0.02 -1.26 -4.73 135.00 131.51 3k6h s PRO 108 Ca 0.33 2.28 0.08 0.00 0.02 0.00 0.00 61.00 63.72 3k6h s PRO 108 Cb 0.07 -3.49 0.04 0.00 0.02 0.00 0.00 34.50 31.14 3k6h s PRO 108 CO 0.10 -0.67 0.60 -1.58 -0.33 0.00 0.00 177.00 175.12 3k6h s HIS 109 N 2.23 2.05 -1.05 6.54 2.46 -1.25 -5.03 115.29 121.23 3k6h s HIS 109 Ca 0.71 -0.61 0.24 0.00 0.47 0.00 0.00 55.06 55.88 3k6h s HIS 109 Cb -0.39 -2.21 0.39 0.00 -0.13 0.00 0.00 32.58 30.24 3k6h s HIS 109 CO 0.31 -0.68 1.33 1.97 -2.47 0.00 0.00 174.74 175.21 3k6h n PHE 110 N -1.95 0.00 0.00 3.88 1.16 -1.26 -4.51 117.46 114.78 3k6h n PHE 110 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.67 3k6h n PHE 110 Cb 0.61 -0.20 0.00 0.00 -1.61 0.00 0.00 39.48 38.28 3k6h n PHE 110 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 3k6h n LYS 111 N -1.44 0.28 -3.41 3.97 3.00 -1.26 -5.05 118.16 114.24 3k6h n LYS 111 Ca 0.06 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.97 3k6h n LYS 111 Cb 0.34 -0.56 -0.09 0.00 0.00 0.00 0.00 35.03 34.72 3k6h n LYS 111 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3k6h s ILE 112 N -1.11 5.18 0.67 3.15 -1.09 -1.26 -5.05 121.20 121.68 3k6h s ILE 112 Ca 0.00 0.19 -0.17 0.00 -2.23 0.00 0.00 60.65 58.44 3k6h s ILE 112 Cb 0.00 -3.77 -0.02 0.00 -1.58 0.00 0.00 42.46 37.09 3k6h s ILE 112 CO 0.00 -0.01 1.03 -2.65 -1.23 0.00 0.00 174.94 172.08 3k6h n PRO 113 N 5.36 0.76 0.16 2.79 -0.02 -1.26 -3.84 135.00 138.95 3k6h n PRO 113 Ca -0.09 0.31 0.02 0.00 -2.02 0.00 0.00 63.50 61.72 3k6h n PRO 113 Cb 0.50 -2.27 0.36 0.00 -0.02 0.00 0.00 33.50 32.08 3k6h n PRO 113 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3k6h h GLU 114 N 0.16 0.08 -0.68 -0.52 5.08 -1.94 -2.61 114.58 114.14 3k6h h GLU 114 Ca -0.49 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 3k6h h GLU 114 Cb 1.35 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 3k6h h GLU 114 CO 0.49 0.38 0.45 2.35 -1.00 0.00 0.00 179.01 181.69 3k6h h TRP 115 N 0.07 0.83 0.00 4.33 2.91 -1.97 -1.93 115.95 120.19 3k6h h TRP 115 Ca 0.01 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3k6h h TRP 115 Cb 0.58 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.96 3k6h h TRP 115 CO 0.00 0.51 0.00 0.93 -1.03 0.00 0.00 178.44 178.85 3k6h h GLU 116 N 0.88 0.00 0.00 2.65 5.08 -1.82 -2.96 114.58 118.41 3k6h h GLU 116 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3k6h h GLU 116 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3k6h h GLU 116 CO -0.06 0.00 -0.71 1.04 -1.00 0.00 0.00 179.01 178.28 3k6h n GLN 117 N -3.01 0.23 -0.45 2.33 6.02 -0.85 -2.92 117.38 118.73 3k6h n GLN 117 Ca 0.03 0.04 -0.08 0.00 -0.01 0.00 0.00 57.00 56.99 3k6h n GLN 117 Cb 0.47 -1.62 0.05 0.00 1.02 0.00 0.00 30.24 30.16 3k6h n GLN 117 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3k6h n VAL 118 N -1.94 1.83 0.00 5.09 0.31 -0.78 -3.37 118.33 119.47 3k6h n VAL 118 Ca 0.03 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 3k6h n VAL 118 Cb 0.42 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 3k6h n VAL 118 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3k6h n SER 120 N 0.18 0.00 0.03 4.52 2.88 -1.15 -2.52 113.62 117.56 3k6h n SER 120 Ca 0.18 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.56 3k6h n SER 120 Cb 0.78 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.18 3k6h n SER 120 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k6h h ALA 121 N 0.00 0.31 -0.29 -1.46 0.00 -1.87 -1.61 119.26 114.33 3k6h h ALA 121 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 3k6h h ALA 121 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3k6h h ALA 121 CO 0.00 0.73 0.11 0.78 0.00 0.00 0.00 179.25 180.87 3k6h h GLY 122 N 0.77 0.47 0.12 0.00 0.00 -1.83 -2.60 103.07 100.01 3k6h h GLY 122 Ca -0.08 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.06 3k6h h GLY 122 CO 0.17 0.25 -0.19 0.00 0.00 0.00 0.00 176.54 176.76 3k6h h ALA 123 N 0.95 0.03 -0.28 3.60 0.00 -1.83 -2.47 119.26 119.26 3k6h h ALA 123 Ca 0.10 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3k6h h ALA 123 Cb 0.19 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3k6h h ALA 123 CO -0.01 -0.59 0.19 -0.24 0.00 0.00 0.00 179.25 178.61 3k6h h VAL 124 N -0.15 1.06 -0.24 0.00 3.04 -1.00 -1.64 116.25 117.31 3k6h h VAL 124 Ca 0.17 -0.12 -0.15 0.00 -1.01 0.00 0.00 66.70 65.58 3k6h h VAL 124 Cb 0.41 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 3k6h h VAL 124 CO -0.42 0.07 -0.45 0.00 -1.01 0.00 0.00 177.57 175.75 3k6h h LEU 126 N 0.46 -0.16 -1.12 0.00 5.85 -1.40 -2.49 115.31 116.45 3k6h h LEU 126 Ca 0.01 -0.14 0.27 0.00 0.84 0.00 0.00 57.88 58.86 3k6h h LEU 126 Cb 1.06 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 42.01 3k6h h LEU 126 CO 0.10 0.04 0.62 -1.13 -0.34 0.00 0.00 178.44 177.74 3k6h h ASN 127 N -0.37 0.58 -0.05 1.25 -1.24 -1.21 0.26 115.58 114.80 3k6h h ASN 127 Ca -0.02 0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 3k6h h ASN 127 Cb 0.29 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.38 3k6h h ASN 127 CO 0.03 0.06 0.01 0.58 -1.29 0.00 0.00 177.43 176.83 3k6h h VAL 128 N 0.49 1.18 -0.77 2.57 2.07 -0.93 -0.69 116.25 120.16 3k6h h VAL 128 Ca 0.65 -0.55 0.18 0.00 0.82 0.00 0.00 66.70 67.80 3k6h h VAL 128 Cb 1.40 1.46 -0.12 0.00 -1.52 0.00 0.00 31.29 32.51 3k6h h VAL 128 CO -0.44 0.15 0.17 0.40 0.02 0.00 0.00 177.57 177.87 3k6h h ILE 129 N -0.13 0.45 -0.28 4.57 2.04 -0.41 0.36 117.51 124.11 3k6h h ILE 129 Ca 0.02 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3k6h h ILE 129 Cb 0.23 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3k6h h ILE 129 CO -0.00 0.04 0.16 -0.26 0.00 0.00 0.00 178.15 178.10 3k6h h PHE 130 N 0.24 0.38 -0.63 1.37 0.04 -0.46 0.23 116.94 118.11 3k6h h PHE 130 Ca 0.44 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.19 3k6h h PHE 130 Cb 0.79 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.79 3k6h h PHE 130 CO -0.28 0.29 0.31 0.00 -0.60 0.00 0.00 178.31 178.03 3k6h h ALA 131 N 1.05 0.80 -0.19 2.45 0.00 -0.28 0.21 119.26 123.30 3k6h h ALA 131 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3k6h h ALA 131 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3k6h h ALA 131 CO -0.02 0.36 0.01 0.00 0.00 0.00 0.00 179.25 179.59 3k6h h ALA 132 N 1.14 0.26 -0.45 0.00 0.00 -0.14 -2.53 119.26 117.53 3k6h h ALA 132 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3k6h h ALA 132 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3k6h h ALA 132 CO -0.03 -0.04 0.29 -0.91 0.00 0.00 0.00 179.25 178.57 3k6h h ASN 133 N 0.10 0.52 0.25 0.00 2.35 -0.20 -0.50 115.58 118.10 3k6h h ASN 133 Ca 0.05 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3k6h h ASN 133 Cb 0.38 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3k6h h ASN 133 CO 0.01 0.39 0.00 0.00 -1.65 0.00 0.00 177.43 176.18 3k6h n ALA 134 N -2.23 1.27 0.22 -0.83 0.00 0.72 -1.20 120.51 118.46 3k6h n ALA 134 Ca 0.01 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.62 3k6h n ALA 134 Cb 0.03 -1.25 0.13 0.00 0.00 0.00 0.00 19.45 18.36 3k6h n ALA 134 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3k6h n SER 135 N -1.98 2.73 0.00 0.00 7.64 -0.91 -4.95 113.62 116.15 3k6h n SER 135 Ca 0.00 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.08 3k6h n SER 135 Cb 0.09 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 3k6h n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k6h n GLY 136 N 0.87 0.88 3.11 0.23 0.00 -0.34 -5.07 105.19 104.86 3k6h n GLY 136 Ca 0.12 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 3k6h n GLY 136 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k6h s PHE 137 N -2.00 1.59 0.99 1.61 0.08 -0.24 -4.85 117.98 115.15 3k6h s PHE 137 Ca 0.00 -0.45 -0.14 0.00 0.12 0.00 0.00 56.93 56.47 3k6h s PHE 137 Cb 0.00 -1.07 0.18 0.00 -0.57 0.00 0.00 43.02 41.56 3k6h s PHE 137 CO 0.00 -0.15 1.13 0.00 -0.10 0.00 0.00 175.22 176.10 3k6h s ALA 138 N 0.06 1.36 -0.28 5.36 0.00 -0.43 -2.43 121.76 125.40 3k6h s ALA 138 Ca -0.03 -0.59 -0.22 0.00 0.00 0.00 0.00 51.96 51.11 3k6h s ALA 138 Cb -0.11 -3.02 0.12 0.00 0.00 0.00 0.00 23.12 20.11 3k6h s ALA 138 CO 0.02 -2.67 0.94 0.00 0.00 0.00 0.00 175.76 174.05 3k6h s ALA 139 N -3.19 -2.01 -0.07 0.00 0.00 -1.26 -2.63 121.76 112.60 3k6h s ALA 139 Ca 0.66 2.04 0.04 0.00 0.00 0.00 0.00 51.96 54.70 3k6h s ALA 139 Cb -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.50 3k6h s ALA 139 CO 0.55 -0.29 -0.20 1.21 0.00 0.00 0.00 175.76 177.03 3k6h s ASN 140 N 0.68 2.58 -0.69 0.00 3.04 -0.09 -3.89 114.94 116.58 3k6h s ASN 140 Ca -0.02 -0.45 -0.18 0.00 0.04 0.00 0.00 52.86 52.26 3k6h s ASN 140 Cb -0.05 -1.01 0.13 0.00 -1.54 0.00 0.00 41.25 38.79 3k6h s ASN 140 CO -0.09 0.14 0.77 0.86 -3.04 0.00 0.00 177.10 175.74 3k6h s TRP 141 N 0.27 3.18 0.26 0.43 -0.11 -1.26 -1.38 118.94 120.33 3k6h s TRP 141 Ca -0.12 -1.25 0.07 0.00 1.22 0.00 0.00 56.10 56.02 3k6h s TRP 141 Cb -0.15 -4.01 -0.04 0.00 -1.50 0.00 0.00 33.47 27.77 3k6h s TRP 141 CO 0.05 -1.25 0.20 -0.51 -4.62 0.00 0.00 176.95 170.83 3k6h s LEU 142 N 2.12 3.79 -0.29 5.86 1.02 -0.43 -4.93 118.68 125.82 3k6h s LEU 142 Ca 0.15 -0.27 0.03 0.00 0.02 0.00 0.00 54.13 54.06 3k6h s LEU 142 Cb -0.19 -2.33 0.19 0.00 0.02 0.00 0.00 46.19 43.89 3k6h s LEU 142 CO 0.01 -0.06 0.59 0.42 0.02 0.00 0.00 176.35 177.32 3k6h s THR 143 N -2.15 -0.99 0.00 5.49 -4.23 -1.26 0.65 115.64 113.15 3k6h s THR 143 Ca 0.33 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 3k6h s THR 143 Cb -0.08 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.77 3k6h s THR 143 CO 0.25 -0.01 0.00 -0.62 -0.54 0.00 0.00 174.62 173.70 3k6h n GLU 144 N 5.42 3.72 0.26 3.99 1.02 -1.26 -4.85 120.64 128.94 3k6h n GLU 144 Ca 0.03 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.25 3k6h n GLU 144 Cb 0.53 0.00 0.66 0.00 -0.02 0.00 0.00 31.44 32.61 3k6h n GLU 144 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 3k6h h TRP 145 N 0.00 0.00 0.00 -0.32 5.08 -2.02 -2.30 115.95 116.40 3k6h h TRP 145 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3k6h h TRP 145 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3k6h h TRP 145 CO 0.00 0.03 0.00 1.28 -1.28 0.00 0.00 178.44 178.47 3k6h n LEU 146 N -4.38 0.00 0.04 0.11 4.77 -1.26 -0.54 117.00 115.73 3k6h n LEU 146 Ca -0.03 0.41 0.11 0.00 -0.03 0.00 0.00 56.01 56.47 3k6h n LEU 146 Cb 0.11 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 3k6h n LEU 146 CO 0.33 -0.27 -0.11 0.00 -1.33 0.00 0.00 177.39 176.01 3k6h n ALA 147 N -1.41 3.07 0.00 -1.18 0.00 -0.86 -4.55 120.51 115.58 3k6h n ALA 147 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3k6h n ALA 147 Cb 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3k6h n ALA 147 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k6h n PHE 148 N -2.19 0.00 -1.75 0.00 3.72 -0.72 -4.33 117.46 112.18 3k6h n PHE 148 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3k6h n PHE 148 Cb 0.49 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 3k6h n PHE 148 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3k6h s ASP 149 N -2.27 6.43 0.35 4.37 -1.08 0.29 -4.87 116.67 119.89 3k6h s ASP 149 Ca 0.00 2.51 0.18 0.00 -0.52 0.00 0.00 52.55 54.72 3k6h s ASP 149 Cb 0.00 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.46 3k6h s ASP 149 CO 0.00 -1.09 1.66 -0.65 0.52 0.00 0.00 175.17 175.61 3k6h h PRO 150 N 10.64 0.00 0.04 4.34 0.11 -1.95 -1.73 132.00 143.45 3k6h h PRO 150 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3k6h h PRO 150 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3k6h h PRO 150 CO 0.95 0.41 -0.09 0.00 -0.21 0.00 0.00 178.00 179.06 3k6h h ALA 151 N 1.59 -0.13 -0.08 -0.75 0.00 -1.99 -2.69 119.26 115.20 3k6h h ALA 151 Ca -0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 3k6h h ALA 151 Cb 1.03 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.97 3k6h h ALA 151 CO 0.05 -0.60 -0.65 0.35 0.00 0.00 0.00 179.25 178.41 3k6h h PHE 152 N -0.18 0.81 -0.89 0.00 3.04 -1.88 -3.17 116.94 114.68 3k6h h PHE 152 Ca 0.02 -0.38 0.20 0.00 3.98 0.00 0.00 57.97 61.79 3k6h h PHE 152 Cb 0.20 -0.12 -0.06 0.00 2.56 0.00 0.00 35.95 38.53 3k6h h PHE 152 CO -0.13 1.19 0.59 -0.07 -2.02 0.00 0.00 178.31 177.87 3k6h h LEU 153 N 0.21 0.37 -0.34 0.59 3.38 -1.34 -0.67 115.31 117.51 3k6h h LEU 153 Ca -0.06 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 3k6h h LEU 153 Cb 1.31 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3k6h h LEU 153 CO 0.13 0.15 -0.84 0.00 0.09 0.00 0.00 178.44 177.97 3k6h h ALA 154 N 1.61 0.58 0.00 1.53 0.00 -1.46 0.14 119.26 121.66 3k6h h ALA 154 Ca 0.46 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3k6h h ALA 154 Cb 1.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3k6h h ALA 154 CO -0.16 0.92 -0.15 0.93 0.00 0.00 0.00 179.25 180.79 3k6h h GLU 155 N 0.09 0.00 -0.02 0.00 5.08 -1.13 -3.13 114.58 115.47 3k6h h GLU 155 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3k6h h GLU 155 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 3k6h h GLU 155 CO 0.12 0.15 -0.39 0.44 -1.00 0.00 0.00 179.01 178.33 3k6h n ILE 156 N -3.20 0.00 -1.28 3.13 -5.35 -0.69 -4.98 119.36 106.98 3k6h n ILE 156 Ca 0.02 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 3k6h n ILE 156 Cb 0.48 1.28 0.00 0.00 -1.74 0.00 0.00 39.64 39.66 3k6h n ILE 156 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k6h n GLY 157 N 1.41 0.76 3.46 3.28 0.00 -0.52 -5.03 105.19 108.55 3k6h n GLY 157 Ca 0.10 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 3k6h n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k6h s VAL 158 N -2.00 4.72 0.31 1.61 1.01 0.36 -5.02 120.40 121.39 3k6h s VAL 158 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 3k6h s VAL 158 Cb 0.00 -4.39 0.07 0.00 0.00 0.00 0.00 36.38 32.06 3k6h s VAL 158 CO 0.00 -0.93 0.16 -1.54 0.00 0.00 0.00 175.10 172.79 3k6h n SER 159 N 6.57 -2.05 0.04 3.32 3.41 -1.26 -4.54 113.62 119.11 3k6h n SER 159 Ca -0.05 -0.16 -0.19 0.00 -0.26 0.00 0.00 58.87 58.21 3k6h n SER 159 Cb 0.46 -0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 64.05 3k6h n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k6h h ALA 160 N -2.13 0.36 0.00 7.33 0.00 -1.99 -3.27 119.26 119.56 3k6h h ALA 160 Ca -0.07 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.58 3k6h h ALA 160 Cb 0.25 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3k6h h ALA 160 CO 0.04 1.23 0.00 0.39 0.00 0.00 0.00 179.25 180.91 3k6h n GLU 161 N -3.44 0.37 -4.44 0.00 1.02 -1.26 -4.78 120.64 108.11 3k6h n GLU 161 Ca -0.23 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.66 3k6h n GLU 161 Cb 1.05 -1.43 -0.11 0.00 -0.02 0.00 0.00 31.44 30.94 3k6h n GLU 161 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3k6h s GLU 162 N -2.00 1.57 0.05 3.49 2.02 -1.23 -4.43 118.70 118.17 3k6h s GLU 162 Ca 0.15 -1.64 0.03 0.00 0.02 0.00 0.00 54.97 53.53 3k6h s GLU 162 Cb 0.07 -1.74 -0.03 0.00 0.10 0.00 0.00 34.13 32.53 3k6h s GLU 162 CO 0.12 0.35 -0.08 0.15 0.02 0.00 0.00 175.26 175.81 3k6h s LYS 163 N -3.14 0.58 -0.35 1.61 1.02 -1.06 -4.77 119.74 113.64 3k6h s LYS 163 Ca 0.25 -0.81 -0.24 0.00 0.02 0.00 0.00 55.97 55.19 3k6h s LYS 163 Cb -0.06 -0.35 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 3k6h s LYS 163 CO 0.12 0.06 0.81 0.54 -0.92 0.00 0.00 175.35 175.97 3k6h s VAL 164 N -1.49 4.71 0.23 3.17 0.11 -1.26 0.09 120.40 125.96 3k6h s VAL 164 Ca -0.08 1.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.90 3k6h s VAL 164 Cb -0.09 -4.22 0.21 0.00 -1.53 0.00 0.00 36.38 30.74 3k6h s VAL 164 CO 0.00 -0.42 1.85 0.00 -3.33 0.00 0.00 175.10 173.21 3k6h h ALA 165 N 8.41 1.16 0.00 1.54 0.00 -0.09 -3.46 119.26 126.82 3k6h h ALA 165 Ca -0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3k6h h ALA 165 Cb 1.09 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3k6h h ALA 165 CO 0.92 0.67 0.00 0.41 0.00 0.00 0.00 179.25 181.25 3k6h n GLY 166 N -1.12 1.64 3.38 0.00 0.00 -0.99 -4.99 105.19 103.10 3k6h n GLY 166 Ca 0.09 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 3k6h n GLY 166 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k6h s TYR 167 N -2.00 3.23 -0.55 1.61 1.51 0.21 -1.26 117.35 120.10 3k6h s TYR 167 Ca 0.00 -0.94 -0.18 0.00 -1.01 0.00 0.00 57.07 54.95 3k6h s TYR 167 Cb 0.00 -2.41 0.10 0.00 -0.11 0.00 0.00 41.96 39.54 3k6h s TYR 167 CO 0.00 -0.62 0.60 0.42 -1.11 0.00 0.00 175.55 174.84 3k6h s ILE 168 N 1.55 4.97 -0.02 2.71 1.01 -0.18 -1.32 121.20 129.92 3k6h s ILE 168 Ca 0.02 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 3k6h s ILE 168 Cb -0.19 -4.38 -0.03 0.00 0.01 0.00 0.00 42.46 37.88 3k6h s ILE 168 CO 0.06 -0.94 1.03 -1.00 0.00 0.00 0.00 174.94 174.09 3k6h s HIS 169 N 2.29 3.56 -0.04 3.97 3.76 -0.48 -1.01 115.29 127.35 3k6h s HIS 169 Ca 0.09 1.58 0.02 0.00 -0.15 0.00 0.00 55.06 56.61 3k6h s HIS 169 Cb -0.25 -3.20 0.01 0.00 1.11 0.00 0.00 32.58 30.25 3k6h s HIS 169 CO 0.07 -0.33 -0.09 0.42 -0.85 0.00 0.00 174.74 173.96 3k6h s ILE 170 N 1.34 0.79 0.00 0.60 1.01 -0.84 -0.91 121.20 123.19 3k6h s ILE 170 Ca 0.52 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.84 3k6h s ILE 170 Cb -0.22 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.53 3k6h s ILE 170 CO 0.25 0.26 0.00 0.61 0.00 0.00 0.00 174.94 176.06 3k6h n GLY 171 N 3.53 2.21 3.84 6.18 0.00 -1.08 -2.78 105.19 117.08 3k6h n GLY 171 Ca -0.20 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 3k6h n GLY 171 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k6h s SER 172 N 0.48 5.94 0.02 1.61 0.01 0.80 -1.32 113.70 121.24 3k6h s SER 172 Ca 0.00 0.19 0.05 0.00 1.31 0.00 0.00 55.95 57.50 3k6h s SER 172 Cb 0.00 -1.75 -0.02 0.00 0.21 0.00 0.00 66.02 64.46 3k6h s SER 172 CO 0.00 0.23 -0.16 0.28 0.41 0.00 0.00 173.24 174.00 3k6h s THR 173 N -1.32 1.27 -0.20 1.44 -1.32 -1.26 -0.89 115.64 113.36 3k6h s THR 173 Ca 0.27 -0.93 -0.18 0.00 -1.21 0.00 0.00 61.69 59.65 3k6h s THR 173 Cb -0.12 -1.11 -0.15 0.00 -1.51 0.00 0.00 72.50 69.61 3k6h s THR 173 CO 0.19 0.17 0.06 1.07 -2.21 0.00 0.00 174.62 173.89 3k6h n THR 174 N 2.16 1.51 -4.30 5.08 5.66 -1.26 -4.94 114.28 118.19 3k6h n THR 174 Ca -0.17 -0.01 -0.31 0.00 -3.05 0.00 0.00 64.05 60.51 3k6h n THR 174 Cb 0.54 -2.10 -0.10 0.00 -1.55 0.00 0.00 70.33 67.13 3k6h n THR 174 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 3k6h s PHE 175 N -2.37 2.88 0.67 1.09 0.40 -1.26 -5.12 117.98 114.28 3k6h s PHE 175 Ca -0.27 -0.06 -0.15 0.00 -0.60 0.00 0.00 56.93 55.84 3k6h s PHE 175 Cb 0.06 -1.54 0.01 0.00 0.51 0.00 0.00 43.02 42.05 3k6h s PHE 175 CO 0.50 0.42 1.14 -1.25 0.70 0.00 0.00 175.22 176.73 3k6h s PRO 176 N -1.87 2.63 0.37 0.24 0.04 -1.26 -5.01 135.00 130.14 3k6h s PRO 176 Ca 0.21 1.52 -0.19 0.00 0.04 0.00 0.00 61.00 62.58 3k6h s PRO 176 Cb -0.11 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 3k6h s PRO 176 CO 0.12 -1.41 0.86 -2.14 0.04 0.00 0.00 177.00 174.47 3k6h s PRO 177 N -3.98 4.17 0.34 0.56 0.02 -1.26 -5.04 135.00 129.81 3k6h s PRO 177 Ca 0.70 0.96 -0.27 0.00 0.02 0.00 0.00 61.00 62.41 3k6h s PRO 177 Cb -0.23 -2.35 -0.09 0.00 0.02 0.00 0.00 34.50 31.85 3k6h s PRO 177 CO 0.42 0.08 1.11 0.54 -0.33 0.00 0.00 177.00 178.81 3k6h s VAL 178 N -2.04 3.45 0.72 3.83 0.11 -1.26 -5.00 120.40 120.22 3k6h s VAL 178 Ca 0.57 1.31 -0.12 0.00 -2.93 0.00 0.00 61.98 60.81 3k6h s VAL 178 Cb -0.10 -3.77 0.03 0.00 -1.53 0.00 0.00 36.38 31.00 3k6h s VAL 178 CO 0.16 0.19 1.09 -0.70 -3.33 0.00 0.00 175.10 172.51 3k6h s GLU 179 N -1.94 2.57 0.21 1.54 2.56 -1.26 -5.03 118.70 117.34 3k6h s GLU 179 Ca 0.51 1.17 0.11 0.00 0.00 0.00 0.00 54.97 56.76 3k6h s GLU 179 Cb -0.29 -1.94 -0.04 0.00 2.00 0.00 0.00 34.13 33.86 3k6h s GLU 179 CO 0.37 -1.40 -0.21 -0.98 -0.56 0.00 0.00 175.26 172.48 3k6h s ARG 180 N -4.71 1.48 0.21 4.30 1.70 -1.26 -5.11 118.95 115.55 3k6h s ARG 180 Ca 0.62 -1.55 -0.31 0.00 -0.47 0.00 0.00 55.73 54.01 3k6h s ARG 180 Cb -0.17 -1.66 -0.15 0.00 -0.57 0.00 0.00 34.95 32.40 3k6h s ARG 180 CO 0.52 0.34 1.08 -2.30 -1.08 0.00 0.00 175.30 173.86 3k6h n PRO 181 N 0.04 1.14 -4.24 3.89 -0.02 -1.26 -5.04 135.00 129.51 3k6h n PRO 181 Ca -0.11 0.40 -0.25 0.00 -2.02 0.00 0.00 63.50 61.52 3k6h n PRO 181 Cb 0.57 -1.84 -0.08 0.00 -0.02 0.00 0.00 33.50 32.14 3k6h n PRO 181 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3k6h s ARG 182 N -0.74 2.16 0.67 -0.52 1.81 -1.26 -5.12 118.95 115.95 3k6h s ARG 182 Ca 0.69 -1.87 -0.16 0.00 -1.72 0.00 0.00 55.73 52.66 3k6h s ARG 182 Cb -0.82 -1.92 0.01 0.00 -0.45 0.00 0.00 34.95 31.77 3k6h s ARG 182 CO 0.55 -0.07 1.19 -2.14 -0.68 0.00 0.00 175.30 174.15 3k6h s PRO 183 N -3.84 2.55 -0.18 3.54 0.02 -1.26 -5.01 135.00 130.82 3k6h s PRO 183 Ca 0.39 1.70 -0.19 0.00 0.02 0.00 0.00 61.00 62.92 3k6h s PRO 183 Cb 0.04 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.64 3k6h s PRO 183 CO 0.21 -1.51 0.52 -2.00 -0.33 0.00 0.00 177.00 173.89 3k6h s GLU 184 N -3.77 4.23 0.38 5.54 2.56 -1.26 -4.95 118.70 121.44 3k6h s GLU 184 Ca 0.74 0.44 0.14 0.00 0.00 0.00 0.00 54.97 56.29 3k6h s GLU 184 Cb -0.28 -3.53 0.99 0.00 2.00 0.00 0.00 34.13 33.31 3k6h s GLU 184 CO 0.40 -0.07 1.81 -0.07 -0.56 0.00 0.00 175.26 176.78 3k6h h LEU 185 N 7.62 0.53 -1.31 2.70 3.38 -1.96 0.17 115.31 126.44 3k6h h LEU 185 Ca -0.36 0.07 0.19 0.00 0.09 0.00 0.00 57.88 57.87 3k6h h LEU 185 Cb 1.16 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 3k6h h LEU 185 CO 0.75 0.18 0.60 0.00 0.09 0.00 0.00 178.44 180.06 3k6h h ALA 186 N 1.62 1.96 0.09 1.53 0.00 -1.93 0.34 119.26 122.88 3k6h h ALA 186 Ca 0.53 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 55.23 3k6h h ALA 186 Cb 1.17 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.91 3k6h h ALA 186 CO -0.26 -0.26 -0.99 -0.44 0.00 0.00 0.00 179.25 177.30 3k6h h ASP 187 N 0.58 0.72 -0.00 0.00 3.32 -1.08 -3.40 116.42 116.56 3k6h h ASP 187 Ca 0.50 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3k6h h ASP 187 Cb 0.99 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3k6h h ASP 187 CO -0.24 1.47 -0.68 1.33 -1.72 0.00 0.00 179.24 179.40 3k6h n VAL 188 N -3.97 0.00 -4.81 -1.35 0.24 -0.82 -4.93 118.33 102.69 3k6h n VAL 188 Ca -0.13 -0.16 -0.29 0.00 -2.04 0.00 0.00 64.34 61.72 3k6h n VAL 188 Cb 0.87 1.05 -0.17 0.00 -1.47 0.00 0.00 33.84 34.12 3k6h n VAL 188 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3k6h s VAL 189 N -2.43 1.63 0.03 3.34 0.11 0.11 -5.06 120.40 118.14 3k6h s VAL 189 Ca 0.08 -0.76 0.04 0.00 -2.93 0.00 0.00 61.98 58.42 3k6h s VAL 189 Cb 0.13 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.50 3k6h s VAL 189 CO 0.62 0.47 -0.07 0.42 -3.33 0.00 0.00 175.10 173.21 3k6h s THR 190 N 0.62 3.61 -0.11 5.04 -4.23 -1.26 -4.70 115.64 114.61 3k6h s THR 190 Ca -0.14 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 3k6h s THR 190 Cb -0.16 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.04 3k6h s THR 190 CO 0.04 0.30 -0.10 0.26 -0.54 0.00 0.00 174.62 174.58 3k6h s TRP 191 N -1.07 2.86 -0.18 3.99 0.52 -1.26 -5.10 118.94 118.69 3k6h s TRP 191 Ca 0.19 -0.36 0.00 0.00 0.02 0.00 0.00 56.10 55.95 3k6h s TRP 191 Cb -0.11 -1.80 0.04 0.00 -1.15 0.00 0.00 33.47 30.45 3k6h s TRP 191 CO 0.10 -0.00 -0.07 0.08 0.02 0.00 0.00 176.95 177.08 3k6h s VAL 192 N -0.06 1.31 0.00 4.03 1.01 -1.26 -5.07 120.40 120.36 3k6h s VAL 192 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3k6h s VAL 192 Cb -0.14 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.79 3k6h s VAL 192 CO 0.03 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3k6h n GLY 193 N 4.80 2.18 3.43 4.51 0.00 -1.26 -5.13 105.19 113.73 3k6h n GLY 193 Ca -0.13 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 3k6h n GLY 193 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k6h s ASP 194 N -0.05 0.32 0.00 1.61 -4.77 -1.26 -5.30 116.67 107.23 3k6h s ASP 194 Ca 0.00 -1.25 0.00 0.00 -3.30 0.00 0.00 52.55 48.00 3k6h s ASP 194 Cb 0.00 0.54 0.00 0.00 -1.09 0.00 0.00 42.92 42.37 3k6h s ASP 194 CO 0.00 -1.09 0.00 0.52 0.70 0.00 0.00 175.17 175.30