#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kym s ILE 2 N 0.00 4.14 -0.21 2.12 1.09 -1.26 -5.02 121.20 122.06 3kym s ILE 2 Ca 0.00 1.68 -0.04 0.00 -1.10 0.00 0.00 60.65 61.19 3kym s ILE 2 Cb 0.00 -4.07 -0.02 0.00 -1.06 0.00 0.00 42.46 37.31 3kym s ILE 2 CO 0.00 0.21 -0.02 -1.10 -0.10 0.00 0.00 174.94 173.93 3kym s GLN 3 N 0.35 3.50 -0.08 2.79 1.11 -1.26 -4.75 119.66 121.31 3kym s GLN 3 Ca 0.53 -0.57 -0.08 0.00 0.01 0.00 0.00 55.36 55.24 3kym s GLN 3 Cb -0.27 -3.04 -0.04 0.00 -1.01 0.00 0.00 33.01 28.64 3kym s GLN 3 CO 0.31 -0.09 0.20 -1.64 0.01 0.00 0.00 175.29 174.09 3kym s MET 4 N 1.23 3.54 -0.08 2.91 -1.94 -1.26 -2.48 119.30 121.23 3kym s MET 4 Ca 0.03 -0.04 0.05 0.00 -1.71 0.00 0.00 55.69 54.02 3kym s MET 4 Cb -0.14 -3.18 -0.00 0.00 2.01 0.00 0.00 34.83 33.51 3kym s MET 4 CO -0.00 0.75 -0.24 0.99 -0.01 0.00 0.00 175.02 176.51 3kym s THR 5 N -1.08 1.99 -0.33 2.05 2.01 -0.18 -4.47 115.64 115.63 3kym s THR 5 Ca 0.19 -1.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 3kym s THR 5 Cb -0.13 -1.71 0.05 0.00 0.01 0.00 0.00 72.50 70.72 3kym s THR 5 CO 0.08 0.55 0.08 -1.10 -0.69 0.00 0.00 174.62 173.54 3kym s GLN 6 N 0.14 2.50 0.07 4.92 -0.21 -1.26 -0.92 119.66 124.90 3kym s GLN 6 Ca -0.12 -1.28 0.10 0.00 0.02 0.00 0.00 55.36 54.08 3kym s GLN 6 Cb -0.16 -3.39 -0.03 0.00 1.00 0.00 0.00 33.01 30.43 3kym s GLN 6 CO 0.06 -0.70 -0.26 -1.54 -2.12 0.00 0.00 175.29 170.73 3kym s SER 7 N 1.42 3.20 0.84 5.90 1.04 -0.95 -4.11 113.70 121.05 3kym s SER 7 Ca -0.02 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 55.66 3kym s SER 7 Cb -0.20 -0.26 0.13 0.00 0.10 0.00 0.00 66.02 65.78 3kym s SER 7 CO 0.01 0.23 1.19 -2.84 0.98 0.00 0.00 173.24 172.81 3kym s PRO 8 N -1.49 1.44 0.21 4.02 0.02 -1.26 -3.30 135.00 134.62 3kym s PRO 8 Ca 0.12 -0.29 -0.06 0.00 0.02 0.00 0.00 61.00 60.79 3kym s PRO 8 Cb -0.10 -1.99 0.16 0.00 0.02 0.00 0.00 34.50 32.59 3kym s PRO 8 CO 0.03 -1.85 1.65 0.78 -0.33 0.00 0.00 177.00 177.28 3kym h GLY 9 N -1.16 0.96 -5.56 0.52 0.00 -1.83 -3.43 103.07 92.58 3kym h GLY 9 Ca -0.44 -0.76 -0.49 0.00 0.00 0.00 0.00 47.33 45.64 3kym h GLY 9 CO 0.51 0.70 -0.81 -1.59 0.00 0.00 0.00 176.54 175.35 3kym s THR 10 N -4.80 1.06 -0.28 4.70 2.01 -1.26 0.16 115.64 117.23 3kym s THR 10 Ca -0.10 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 3kym s THR 10 Cb 0.13 -0.94 0.04 0.00 0.01 0.00 0.00 72.50 71.75 3kym s THR 10 CO 0.84 0.32 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.85 3kym s LEU 11 N 0.29 3.67 -0.61 4.42 2.96 -0.02 -4.95 118.68 124.43 3kym s LEU 11 Ca -0.06 -1.17 -0.20 0.00 -0.22 0.00 0.00 54.13 52.47 3kym s LEU 11 Cb -0.11 -1.69 0.09 0.00 0.50 0.00 0.00 46.19 44.98 3kym s LEU 11 CO 0.02 -0.22 0.81 -0.44 -1.32 0.00 0.00 176.35 175.20 3kym s SER 12 N 1.26 6.18 0.21 3.68 0.01 -1.26 -0.01 113.70 123.78 3kym s SER 12 Ca -0.04 -1.21 -0.01 0.00 1.31 0.00 0.00 55.95 56.01 3kym s SER 12 Cb -0.19 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3kym s SER 12 CO -0.02 -1.24 0.12 -0.76 0.41 0.00 0.00 173.24 171.75 3kym s LEU 13 N 3.26 1.29 -0.07 2.44 1.43 -0.52 -4.98 118.68 121.53 3kym s LEU 13 Ca 0.16 -1.38 0.02 0.00 -1.03 0.00 0.00 54.13 51.90 3kym s LEU 13 Cb -0.21 0.30 -0.03 0.00 0.03 0.00 0.00 46.19 46.28 3kym s LEU 13 CO 0.08 -0.81 -0.11 -0.55 0.23 0.00 0.00 176.35 175.20 3kym s SER 14 N -3.19 4.33 -0.43 2.29 0.15 -1.26 -3.93 113.70 111.66 3kym s SER 14 Ca 0.38 -0.12 -0.46 0.00 0.70 0.00 0.00 55.95 56.45 3kym s SER 14 Cb 0.07 -1.08 -0.20 0.00 -1.71 0.00 0.00 66.02 63.11 3kym s SER 14 CO 0.12 0.33 1.55 -2.65 1.20 0.00 0.00 173.24 173.79 3kym n PRO 15 N 2.40 0.08 0.00 5.44 -0.02 -1.26 -1.15 135.00 140.48 3kym n PRO 15 Ca -0.18 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3kym n PRO 15 Cb 0.53 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 3kym n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kym n GLY 16 N 3.72 0.24 3.88 -1.23 0.00 0.25 -4.93 105.19 107.13 3kym n GLY 16 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 3kym n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kym s GLU 17 N -0.91 1.72 -0.05 1.61 2.02 -0.30 -4.37 118.70 118.42 3kym s GLU 17 Ca 0.00 0.10 -0.18 0.00 0.02 0.00 0.00 54.97 54.91 3kym s GLU 17 Cb 0.00 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 3kym s GLU 17 CO 0.00 -1.76 0.50 0.50 0.02 0.00 0.00 175.26 174.52 3kym s ARG 18 N -5.56 4.24 -0.10 1.61 3.52 -1.26 -1.05 118.95 120.35 3kym s ARG 18 Ca 0.63 0.53 0.02 0.00 -0.13 0.00 0.00 55.73 56.78 3kym s ARG 18 Cb -0.11 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 3kym s ARG 18 CO 0.50 0.35 -0.17 0.00 -0.81 0.00 0.00 175.30 175.17 3kym s ALA 19 N -0.05 1.75 -0.23 6.12 0.00 -0.73 -5.01 121.76 123.61 3kym s ALA 19 Ca 0.27 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.50 3kym s ALA 19 Cb -0.16 -0.79 0.05 0.00 0.00 0.00 0.00 23.12 22.22 3kym s ALA 19 CO 0.13 0.04 -0.10 0.99 0.00 0.00 0.00 175.76 176.82 3kym s THR 20 N 0.78 1.82 -0.11 0.00 2.01 -1.26 -2.19 115.64 116.70 3kym s THR 20 Ca -0.11 -1.29 -0.04 0.00 0.31 0.00 0.00 61.69 60.56 3kym s THR 20 Cb -0.16 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 3kym s THR 20 CO 0.01 0.04 0.04 -0.76 -0.69 0.00 0.00 174.62 173.26 3kym s LEU 21 N 1.29 3.79 -0.05 4.42 1.02 0.60 -4.90 118.68 124.84 3kym s LEU 21 Ca -0.05 0.20 0.04 0.00 0.02 0.00 0.00 54.13 54.34 3kym s LEU 21 Cb -0.18 -1.89 0.00 0.00 0.02 0.00 0.00 46.19 44.14 3kym s LEU 21 CO -0.07 0.35 -0.16 -0.94 0.02 0.00 0.00 176.35 175.56 3kym s SER 22 N -0.72 2.04 -0.02 2.29 1.04 -1.21 -0.29 113.70 116.84 3kym s SER 22 Ca 0.12 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.22 3kym s SER 22 Cb -0.12 -0.70 -0.04 0.00 0.10 0.00 0.00 66.02 65.27 3kym s SER 22 CO 0.02 0.11 -0.00 0.00 0.98 0.00 0.00 173.24 174.36 3kym s ARG 24 N -1.44 1.43 0.52 0.00 3.52 -0.09 -1.23 118.95 121.66 3kym s ARG 24 Ca 0.18 -0.99 -0.19 0.00 -0.13 0.00 0.00 55.73 54.61 3kym s ARG 24 Cb -0.11 -2.52 -0.07 0.00 -1.56 0.00 0.00 34.95 30.68 3kym s ARG 24 CO 0.09 -0.66 1.05 0.00 -0.81 0.00 0.00 175.30 174.98 3kym s ALA 25 N 1.44 2.81 -0.18 6.12 0.00 -0.82 -1.01 121.76 130.12 3kym s ALA 25 Ca -0.03 0.58 0.18 0.00 0.00 0.00 0.00 51.96 52.69 3kym s ALA 25 Cb -0.19 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3kym s ALA 25 CO -0.08 -0.51 1.08 0.66 0.00 0.00 0.00 175.76 176.91 3kym h SER 26 N 1.20 0.00 -4.27 0.00 4.64 -1.85 -3.46 113.55 109.81 3kym h SER 26 Ca -0.49 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.52 3kym h SER 26 Cb 1.23 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 3kym h SER 26 CO 0.58 0.38 -0.67 -1.58 -0.87 0.00 0.00 176.83 174.67 3kym s GLN 27 N -3.06 1.14 0.46 4.77 0.74 -1.26 -5.01 119.66 117.44 3kym s GLN 27 Ca 0.00 -1.54 -0.25 0.00 0.05 0.00 0.00 55.36 53.62 3kym s GLN 27 Cb 0.08 -0.41 -0.08 0.00 1.10 0.00 0.00 33.01 33.71 3kym s GLN 27 CO 0.78 -0.08 1.37 0.45 -0.55 0.00 0.00 175.29 177.26 3kym n SER 28 N -0.26 2.97 -0.03 6.67 2.88 -1.26 -4.78 113.62 119.79 3kym n SER 28 Ca -0.07 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 3kym n SER 28 Cb 0.63 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 3kym n SER 28 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3kym n VAL 29 N -0.38 0.25 0.00 2.46 0.24 -0.36 -5.02 118.33 115.51 3kym n VAL 29 Ca 0.07 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3kym n VAL 29 Cb 0.42 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 3kym n VAL 29 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3kym n SER 30 N -0.13 0.00 -0.92 -1.34 2.88 -1.24 -2.05 113.62 110.82 3kym n SER 30 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.58 3kym n SER 30 Cb 0.46 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.97 3kym n SER 30 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3kym n SER 31 N 7.61 0.88 -4.10 -3.46 3.41 -1.26 -1.20 113.62 115.50 3kym n SER 31 Ca 0.00 -2.34 -0.42 0.00 -0.26 0.00 0.00 58.87 55.85 3kym n SER 31 Cb 0.00 -0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 3kym n SER 31 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kym n TYR 32 N -0.05 3.70 -3.75 7.33 4.01 -0.87 -2.85 117.16 124.68 3kym n TYR 32 Ca 0.07 -3.36 -0.16 0.00 -0.16 0.00 0.00 57.90 54.29 3kym n TYR 32 Cb 0.89 -1.37 -0.16 0.00 -0.31 0.00 0.00 39.34 38.40 3kym n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3kym s LEU 33 N -2.06 0.85 0.07 7.72 1.98 -1.26 -1.46 118.68 124.51 3kym s LEU 33 Ca 0.31 0.09 0.07 0.00 -2.89 0.00 0.00 54.13 51.71 3kym s LEU 33 Cb -0.01 -0.01 -0.04 0.00 0.66 0.00 0.00 46.19 46.79 3kym s LEU 33 CO 0.00 -0.15 -0.13 0.00 -1.89 0.00 0.00 176.35 174.18 3kym s ALA 34 N 1.29 2.82 -0.11 5.97 0.00 -0.31 -0.74 121.76 130.67 3kym s ALA 34 Ca -0.07 -1.20 -0.00 0.00 0.00 0.00 0.00 51.96 50.69 3kym s ALA 34 Cb -0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 3kym s ALA 34 CO -0.04 0.61 -0.10 -1.58 0.00 0.00 0.00 175.76 174.66 3kym s TRP 35 N -1.07 2.88 0.03 0.00 0.52 0.76 -2.11 118.94 119.94 3kym s TRP 35 Ca 0.18 -0.36 0.09 0.00 0.02 0.00 0.00 56.10 56.03 3kym s TRP 35 Cb -0.11 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.37 3kym s TRP 35 CO 0.09 -0.01 -0.25 0.71 0.02 0.00 0.00 176.95 177.52 3kym s TYR 36 N -0.02 2.21 -0.11 -1.98 1.51 -0.39 -0.62 117.35 117.95 3kym s TYR 36 Ca -0.02 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 3kym s TYR 36 Cb -0.14 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 3kym s TYR 36 CO 0.03 0.09 -0.07 -1.14 -1.11 0.00 0.00 175.55 173.35 3kym s GLN 37 N -1.09 3.21 -0.17 -0.62 0.74 -0.21 -1.83 119.66 119.68 3kym s GLN 37 Ca 0.11 -0.56 0.01 0.00 0.05 0.00 0.00 55.36 54.96 3kym s GLN 37 Cb -0.10 -2.72 0.03 0.00 1.10 0.00 0.00 33.01 31.33 3kym s GLN 37 CO 0.01 0.43 -0.12 -1.14 -0.55 0.00 0.00 175.29 173.93 3kym s GLN 38 N -0.17 2.11 0.26 1.67 0.74 0.66 -1.22 119.66 123.71 3kym s GLN 38 Ca 0.02 -0.69 -0.20 0.00 0.05 0.00 0.00 55.36 54.55 3kym s GLN 38 Cb -0.13 -2.24 -0.09 0.00 1.10 0.00 0.00 33.01 31.65 3kym s GLN 38 CO 0.03 -0.34 0.77 0.15 -0.55 0.00 0.00 175.29 175.35 3kym s LYS 39 N 1.46 4.26 0.10 1.67 1.02 -1.26 -1.58 119.74 125.41 3kym s LYS 39 Ca 0.02 0.92 -0.34 0.00 0.02 0.00 0.00 55.97 56.59 3kym s LYS 39 Cb -0.15 -2.76 -0.13 0.00 -0.52 0.00 0.00 37.83 34.27 3kym s LYS 39 CO -0.09 0.32 1.65 -2.30 -0.92 0.00 0.00 175.35 174.01 3kym n PRO 40 N 0.46 2.16 -0.79 -1.68 -0.02 -1.26 -1.10 135.00 132.77 3kym n PRO 40 Ca -0.00 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3kym n PRO 40 Cb 0.51 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3kym n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kym n GLY 41 N 3.66 0.64 3.09 -1.23 0.00 -1.26 -5.04 105.19 105.06 3kym n GLY 41 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 3kym n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kym s GLN 42 N -0.21 0.62 0.70 1.61 -0.21 -0.26 -5.14 119.66 116.77 3kym s GLN 42 Ca 0.00 -1.00 -0.16 0.00 0.02 0.00 0.00 55.36 54.22 3kym s GLN 42 Cb 0.00 -0.14 0.02 0.00 1.00 0.00 0.00 33.01 33.89 3kym s GLN 42 CO 0.00 -0.01 1.20 0.00 -2.12 0.00 0.00 175.29 174.37 3kym s ALA 43 N -2.52 2.23 1.48 6.09 0.00 -1.26 -4.48 121.76 123.31 3kym s ALA 43 Ca -0.01 0.89 -0.24 0.00 0.00 0.00 0.00 51.96 52.60 3kym s ALA 43 Cb -0.02 -3.46 0.39 0.00 0.00 0.00 0.00 23.12 20.02 3kym s ALA 43 CO -0.03 -1.70 0.89 -2.14 0.00 0.00 0.00 175.76 172.78 3kym s PRO 44 N -3.80 -3.42 -0.23 0.00 0.02 -1.26 -4.50 135.00 121.80 3kym s PRO 44 Ca 0.75 0.11 -0.26 0.00 0.02 0.00 0.00 61.00 61.62 3kym s PRO 44 Cb -0.29 -1.32 0.08 0.00 0.02 0.00 0.00 34.50 32.99 3kym s PRO 44 CO 0.43 -5.19 0.80 -0.98 -0.33 0.00 0.00 177.00 171.73 3kym s ARG 45 N -5.08 0.78 0.51 5.54 1.70 -0.36 -4.94 118.95 117.11 3kym s ARG 45 Ca 0.68 0.76 -0.23 0.00 -0.47 0.00 0.00 55.73 56.47 3kym s ARG 45 Cb -0.13 0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 34.57 3kym s ARG 45 CO 0.57 -0.13 1.39 -1.17 -1.08 0.00 0.00 175.30 174.89 3kym s LEU 46 N 0.03 3.94 0.09 -1.89 2.96 -1.26 -1.05 118.68 121.51 3kym s LEU 46 Ca -0.01 2.85 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 3kym s LEU 46 Cb -0.04 -4.14 0.00 0.00 0.50 0.00 0.00 46.19 42.50 3kym s LEU 46 CO 0.01 -1.45 0.00 0.18 -1.32 0.00 0.00 176.35 173.77 3kym n LEU 47 N -0.73 0.34 -3.94 -0.68 4.77 0.21 -4.79 117.00 112.17 3kym n LEU 47 Ca 0.08 0.14 -0.18 0.00 -0.03 0.00 0.00 56.01 56.02 3kym n LEU 47 Cb 0.44 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.34 3kym n LEU 47 CO 0.55 -0.49 -0.41 -0.63 -1.33 0.00 0.00 177.39 175.09 3kym s ILE 48 N -2.00 0.52 0.31 -0.08 -1.09 -1.17 -0.16 121.20 117.54 3kym s ILE 48 Ca 0.00 -0.21 0.07 0.00 -2.23 0.00 0.00 60.65 58.28 3kym s ILE 48 Cb 0.00 -0.49 -0.06 0.00 -1.58 0.00 0.00 42.46 40.33 3kym s ILE 48 CO 0.00 0.18 -0.03 -0.72 -1.23 0.00 0.00 174.94 173.14 3kym s TYR 49 N 0.32 2.09 -1.36 3.97 -0.85 -0.20 -0.17 117.35 121.15 3kym s TYR 49 Ca -0.04 -0.72 -0.13 0.00 -0.52 0.00 0.00 57.07 55.66 3kym s TYR 49 Cb -0.08 -1.27 0.01 0.00 0.38 0.00 0.00 41.96 41.00 3kym s TYR 49 CO -0.00 0.29 0.40 -0.25 -1.52 0.00 0.00 175.55 174.48 3kym n ASP 50 N -0.68 -1.68 0.00 -0.18 8.00 -1.14 -0.40 116.55 120.47 3kym n ASP 50 Ca -0.05 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.26 3kym n ASP 50 Cb 0.64 -2.16 0.00 0.00 -0.02 0.00 0.00 41.12 39.58 3kym n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kym n ALA 51 N -4.65 0.00 -1.81 2.24 0.00 0.08 -3.96 120.51 112.41 3kym n ALA 51 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3kym n ALA 51 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3kym n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kym n SER 52 N 0.37 0.00 -4.47 0.00 3.41 -1.06 -3.76 113.62 108.12 3kym n SER 52 Ca 0.00 -1.23 -0.34 0.00 -0.26 0.00 0.00 58.87 57.04 3kym n SER 52 Cb 0.00 -0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 63.78 3kym n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3kym s ASN 53 N -0.23 4.74 -0.13 4.04 -0.87 0.47 -4.73 114.94 118.24 3kym s ASN 53 Ca 0.00 -0.17 -0.29 0.00 -1.57 0.00 0.00 52.86 50.82 3kym s ASN 53 Cb 0.00 -1.78 -0.03 0.00 -0.02 0.00 0.00 41.25 39.42 3kym s ASN 53 CO 0.00 0.13 1.34 -0.13 -2.57 0.00 0.00 177.10 175.87 3kym s ARG 54 N 0.59 4.24 0.95 -0.60 0.52 -1.26 -1.03 118.95 122.36 3kym s ARG 54 Ca -0.02 1.78 -0.11 0.00 -0.52 0.00 0.00 55.73 56.86 3kym s ARG 54 Cb -0.14 -3.78 0.16 0.00 0.52 0.00 0.00 34.95 31.71 3kym s ARG 54 CO 0.02 -0.70 1.12 0.00 0.02 0.00 0.00 175.30 175.76 3kym s ALA 55 N 3.43 1.19 -0.08 2.13 0.00 0.78 -4.87 121.76 124.34 3kym s ALA 55 Ca 0.59 0.45 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 3kym s ALA 55 Cb -0.25 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 3kym s ALA 55 CO 0.19 -2.89 1.99 0.99 0.00 0.00 0.00 175.76 176.04 3kym s THR 56 N -2.64 3.13 -0.47 0.00 2.01 -1.26 -2.21 115.64 114.21 3kym s THR 56 Ca 0.67 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.81 3kym s THR 56 Cb -0.23 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.16 3kym s THR 56 CO 0.59 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 3kym n GLY 57 N 4.91 0.66 3.61 4.40 0.00 -1.26 -5.01 105.19 112.50 3kym n GLY 57 Ca 0.23 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 3kym n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kym s ILE 58 N -2.17 5.03 0.83 -0.61 -1.09 -0.94 -5.01 121.20 117.23 3kym s ILE 58 Ca 0.00 0.85 -0.16 0.00 -2.23 0.00 0.00 60.65 59.11 3kym s ILE 58 Cb 0.00 -3.89 -0.07 0.00 -1.58 0.00 0.00 42.46 36.92 3kym s ILE 58 CO 0.00 0.00 -0.01 -2.65 -1.23 0.00 0.00 174.94 171.05 3kym n PRO 59 N 5.65 0.02 -0.02 2.79 -0.02 -1.26 -4.83 135.00 137.34 3kym n PRO 59 Ca -0.03 0.03 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 3kym n PRO 59 Cb 0.49 -1.46 0.58 0.00 -0.02 0.00 0.00 33.50 33.10 3kym n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kym n ALA 60 N -2.58 2.60 1.07 3.55 0.00 -1.26 -3.28 120.51 120.61 3kym n ALA 60 Ca 0.05 -0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.31 3kym n ALA 60 Cb 0.52 -1.28 0.20 0.00 0.00 0.00 0.00 19.45 18.89 3kym n ALA 60 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3kym n ARG 61 N -0.51 1.71 -4.53 0.00 1.85 -1.26 -4.79 116.66 109.13 3kym n ARG 61 Ca 0.17 -1.10 -0.33 0.00 -1.00 0.00 0.00 57.85 55.58 3kym n ARG 61 Cb 0.15 -1.28 -0.15 0.00 -1.05 0.00 0.00 32.46 30.14 3kym n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3kym s PHE 62 N -1.63 2.82 -0.07 2.89 0.08 -1.21 -1.52 117.98 119.34 3kym s PHE 62 Ca 0.24 -0.87 -0.13 0.00 0.12 0.00 0.00 56.93 56.29 3kym s PHE 62 Cb 0.12 -1.90 0.03 0.00 -0.57 0.00 0.00 43.02 40.70 3kym s PHE 62 CO 0.17 -0.38 0.32 -1.54 -0.10 0.00 0.00 175.22 173.69 3kym s SER 63 N 0.73 -0.27 0.13 1.36 1.04 0.43 -4.94 113.70 112.19 3kym s SER 63 Ca -0.06 0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.83 3kym s SER 63 Cb -0.15 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 3kym s SER 63 CO 0.01 -0.28 -0.07 -0.83 0.98 0.00 0.00 173.24 173.06 3kym s GLY 64 N -0.57 1.78 0.20 7.32 0.00 -1.25 0.10 107.32 114.90 3kym s GLY 64 Ca -0.07 -1.29 -0.02 0.00 0.00 0.00 0.00 44.72 43.34 3kym s GLY 64 CO 0.02 -1.29 0.15 -1.35 0.00 0.00 0.00 173.10 170.63 3kym s SER 65 N -2.48 0.14 0.00 1.64 1.04 -0.47 -4.31 113.70 109.26 3kym s SER 65 Ca 0.24 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.32 3kym s SER 65 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3kym s SER 65 CO 0.16 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.13 3kym n GLY 66 N -0.27 3.08 3.37 7.32 0.00 -1.26 -0.93 105.19 116.51 3kym n GLY 66 Ca 0.01 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 3kym n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kym s SER 67 N 0.00 -0.39 0.00 1.61 0.15 -0.22 -4.87 113.70 109.98 3kym s SER 67 Ca 0.00 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.59 3kym s SER 67 Cb 0.00 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 3kym s SER 67 CO 0.00 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.22 3kym n GLY 68 N -0.01 0.86 0.00 9.45 0.00 -0.34 -0.94 105.19 114.21 3kym n GLY 68 Ca -0.17 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3kym n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kym n THR 69 N 0.00 0.00 -3.61 2.61 -2.24 -1.26 -1.22 114.28 108.56 3kym n THR 69 Ca 0.00 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 61.12 3kym n THR 69 Cb 0.00 0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 69.00 3kym n THR 69 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3kym s GLU 70 N -0.76 2.66 0.27 -0.78 -6.30 -0.11 -1.94 118.70 111.74 3kym s GLU 70 Ca 0.00 -1.35 0.12 0.00 -2.50 0.00 0.00 54.97 51.23 3kym s GLU 70 Cb 0.00 -3.76 -0.05 0.00 0.00 0.00 0.00 34.13 30.32 3kym s GLU 70 CO 0.00 -0.88 -0.18 -0.06 0.02 0.00 0.00 175.26 174.16 3kym s PHE 71 N 1.46 2.34 -0.16 5.30 0.40 -0.36 -1.05 117.98 125.91 3kym s PHE 71 Ca 0.02 -0.32 -0.05 0.00 -0.60 0.00 0.00 56.93 55.99 3kym s PHE 71 Cb -0.22 -1.03 0.08 0.00 0.51 0.00 0.00 43.02 42.36 3kym s PHE 71 CO 0.03 0.69 0.29 0.99 0.70 0.00 0.00 175.22 177.92 3kym s THR 72 N -2.40 -0.45 -0.16 0.64 2.01 -0.10 -0.78 115.64 114.39 3kym s THR 72 Ca 0.29 0.19 -0.15 0.00 0.31 0.00 0.00 61.69 62.33 3kym s THR 72 Cb -0.05 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 3kym s THR 72 CO 0.15 0.05 0.35 -0.22 -0.69 0.00 0.00 174.62 174.27 3kym s LEU 73 N 2.45 4.23 -0.16 4.42 2.96 0.61 -1.36 118.68 131.82 3kym s LEU 73 Ca 0.02 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 3kym s LEU 73 Cb -0.13 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.11 3kym s LEU 73 CO -0.10 0.04 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.91 3kym s THR 74 N 0.67 1.80 -0.28 3.68 2.01 0.28 -0.29 115.64 123.51 3kym s THR 74 Ca 0.19 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 3kym s THR 74 Cb -0.14 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 3kym s THR 74 CO 0.06 0.50 0.15 -0.63 -0.69 0.00 0.00 174.62 174.01 3kym s ILE 75 N 1.33 4.91 -1.24 1.82 1.01 -0.93 -0.43 121.20 127.67 3kym s ILE 75 Ca 0.03 -0.02 0.28 0.00 0.00 0.00 0.00 60.65 60.94 3kym s ILE 75 Cb -0.13 -3.35 0.25 0.00 0.01 0.00 0.00 42.46 39.23 3kym s ILE 75 CO -0.10 0.25 1.74 -1.54 0.00 0.00 0.00 174.94 175.28 3kym n SER 76 N 5.01 0.34 -3.13 3.58 3.41 -0.58 -1.78 113.62 120.47 3kym n SER 76 Ca -0.15 -0.13 0.04 0.00 -0.26 0.00 0.00 58.87 58.37 3kym n SER 76 Cb 0.51 -0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3kym n SER 76 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3kym s SER 77 N -2.80 -1.20 0.09 4.04 0.15 -1.22 -4.39 113.70 108.37 3kym s SER 77 Ca 0.19 0.01 -0.35 0.00 0.70 0.00 0.00 55.95 56.49 3kym s SER 77 Cb 0.19 1.71 -0.15 0.00 -1.71 0.00 0.00 66.02 66.06 3kym s SER 77 CO 0.56 -0.20 1.49 0.18 1.20 0.00 0.00 173.24 176.47 3kym n LEU 78 N 5.11 2.41 -4.28 3.45 4.32 -0.21 -4.72 117.00 123.07 3kym n LEU 78 Ca 0.07 1.09 -0.27 0.00 -0.02 0.00 0.00 56.01 56.88 3kym n LEU 78 Cb 0.56 -1.30 -0.14 0.00 -1.62 0.00 0.00 43.42 40.91 3kym n LEU 78 CO -0.09 -0.63 -0.54 -1.10 -1.22 0.00 0.00 177.39 173.81 3kym s GLN 79 N 1.00 1.57 0.36 3.23 1.11 -1.26 -0.58 119.66 125.08 3kym s GLN 79 Ca 0.83 -0.98 0.22 0.00 0.01 0.00 0.00 55.36 55.45 3kym s GLN 79 Cb -0.83 -1.68 1.27 0.00 -1.01 0.00 0.00 33.01 30.76 3kym s GLN 79 CO 0.44 0.44 1.44 -1.13 0.01 0.00 0.00 175.29 176.48 3kym n SER 80 N 1.91 0.28 0.11 5.90 3.41 -1.26 0.59 113.62 124.56 3kym n SER 80 Ca -0.17 1.44 0.08 0.00 -0.26 0.00 0.00 58.87 59.96 3kym n SER 80 Cb 0.53 -0.70 0.40 0.00 -0.26 0.00 0.00 64.21 64.17 3kym n SER 80 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kym n GLU 81 N -4.91 0.10 -0.02 4.33 4.71 -1.26 -2.87 120.64 120.72 3kym n GLU 81 Ca 0.35 0.58 0.12 0.00 -0.01 0.00 0.00 57.16 58.20 3kym n GLU 81 Cb 1.25 -1.80 0.25 0.00 -1.01 0.00 0.00 31.44 30.13 3kym n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3kym n ASP 82 N -2.00 2.55 -4.49 1.62 8.00 0.20 -4.67 116.55 117.76 3kym n ASP 82 Ca -0.01 -1.84 -0.43 0.00 0.71 0.00 0.00 54.79 53.22 3kym n ASP 82 Cb 0.04 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3kym n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3kym s PHE 83 N -1.94 2.67 0.29 1.24 0.40 -1.14 -4.82 117.98 114.68 3kym s PHE 83 Ca 0.32 -0.67 -0.11 0.00 -0.60 0.00 0.00 56.93 55.86 3kym s PHE 83 Cb 0.20 -4.41 0.05 0.00 0.51 0.00 0.00 43.02 39.37 3kym s PHE 83 CO 0.31 -1.74 0.61 0.00 0.70 0.00 0.00 175.22 175.10 3kym n ALA 84 N 7.95 -1.38 -2.78 5.36 0.00 -1.24 -4.83 120.51 123.60 3kym n ALA 84 Ca 0.09 -0.95 -0.35 0.00 0.00 0.00 0.00 53.44 52.22 3kym n ALA 84 Cb 0.48 0.75 -0.09 0.00 0.00 0.00 0.00 19.45 20.58 3kym n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kym s VAL 85 N -2.31 4.57 -0.08 0.00 1.01 -0.61 -1.13 120.40 121.85 3kym s VAL 85 Ca 0.12 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3kym s VAL 85 Cb -0.04 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3kym s VAL 85 CO 0.09 0.56 -0.20 -0.31 0.00 0.00 0.00 175.10 175.24 3kym s TYR 86 N -0.42 2.60 -0.05 5.22 1.51 -0.99 -0.25 117.35 124.97 3kym s TYR 86 Ca 0.09 -0.63 0.04 0.00 -1.01 0.00 0.00 57.07 55.56 3kym s TYR 86 Cb -0.12 -1.68 -0.00 0.00 -0.11 0.00 0.00 41.96 40.05 3kym s TYR 86 CO 0.02 -0.16 -0.17 0.71 -1.11 0.00 0.00 175.55 174.85 3kym s TYR 87 N -0.10 1.71 0.28 2.71 1.51 -0.76 -2.40 117.35 120.32 3kym s TYR 87 Ca -0.04 -0.52 0.06 0.00 -1.01 0.00 0.00 57.07 55.56 3kym s TYR 87 Cb -0.14 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.52 3kym s TYR 87 CO 0.04 -0.19 0.32 0.00 -1.11 0.00 0.00 175.55 174.61 3kym s GLN 89 N -3.99 0.58 0.00 0.00 0.74 -0.90 -0.97 119.66 115.13 3kym s GLN 89 Ca 0.38 1.01 -0.15 0.00 0.05 0.00 0.00 55.36 56.65 3kym s GLN 89 Cb -0.08 0.10 -0.06 0.00 1.10 0.00 0.00 33.01 34.07 3kym s GLN 89 CO 0.28 -0.15 0.41 1.14 -0.55 0.00 0.00 175.29 176.43 3kym s GLN 90 N 1.40 3.93 -0.09 1.67 1.03 -1.19 -1.17 119.66 125.25 3kym s GLN 90 Ca -0.09 0.43 0.18 0.00 0.04 0.00 0.00 55.36 55.92 3kym s GLN 90 Cb -0.06 -3.22 0.38 0.00 0.03 0.00 0.00 33.01 30.14 3kym s GLN 90 CO -0.15 0.69 1.17 2.48 -2.54 0.00 0.00 175.29 176.94 3kym n TYR 91 N 1.83 0.00 -0.05 9.60 0.18 -0.54 -4.18 117.16 124.00 3kym n TYR 91 Ca -0.14 -0.88 -0.13 0.00 1.88 0.00 0.00 57.90 58.63 3kym n TYR 91 Cb 0.52 -0.18 -0.07 0.00 -0.38 0.00 0.00 39.34 39.23 3kym n TYR 91 CO 0.00 0.00 0.00 0.22 -2.08 0.00 0.00 176.86 175.00 3kym h ASP 92 N 0.86 0.40 -4.43 9.48 1.82 -1.84 -3.47 116.42 119.23 3kym h ASP 92 Ca -0.11 -0.49 -0.31 0.00 -0.39 0.00 0.00 57.03 55.73 3kym h ASP 92 Cb 1.46 -0.11 -0.24 0.00 0.68 0.00 0.00 39.33 41.12 3kym h ASP 92 CO 0.05 0.80 -0.75 -0.75 -1.61 0.00 0.00 179.24 176.98 3kym s LYS 93 N -4.28 0.55 0.27 0.28 2.47 -1.26 -5.14 119.74 112.63 3kym s LYS 93 Ca -0.14 -0.58 -0.26 0.00 -1.56 0.00 0.00 55.97 53.43 3kym s LYS 93 Cb 0.05 -0.42 -0.09 0.00 -1.46 0.00 0.00 37.83 35.91 3kym s LYS 93 CO 0.76 0.10 0.89 -0.46 0.16 0.00 0.00 175.35 176.79 3kym s TRP 94 N -0.91 3.79 0.81 4.03 -0.00 -1.26 -4.28 118.94 121.11 3kym s TRP 94 Ca -0.05 1.74 -0.12 0.00 -0.00 0.00 0.00 56.10 57.68 3kym s TRP 94 Cb -0.07 -2.87 0.08 0.00 -0.00 0.00 0.00 33.47 30.60 3kym s TRP 94 CO 0.00 0.33 1.14 -1.25 -0.00 0.00 0.00 176.95 177.18 3kym s PRO 95 N -1.70 2.01 0.09 5.86 0.04 -1.26 -4.90 135.00 135.14 3kym s PRO 95 Ca 0.45 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.48 3kym s PRO 95 Cb -0.21 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 3kym s PRO 95 CO 0.26 -1.60 0.97 -0.51 0.04 0.00 0.00 177.00 176.16 3kym s LEU 96 N -5.65 4.47 -0.01 -3.56 1.43 -1.26 -4.77 118.68 109.34 3kym s LEU 96 Ca 0.61 1.78 0.02 0.00 -1.03 0.00 0.00 54.13 55.51 3kym s LEU 96 Cb -0.12 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.51 3kym s LEU 96 CO 0.51 -0.11 -0.08 0.42 0.23 0.00 0.00 176.35 177.33 3kym s THR 97 N 0.19 0.61 0.27 5.49 -4.23 -1.26 -5.09 115.64 111.62 3kym s THR 97 Ca 0.48 -0.32 0.06 0.00 -1.18 0.00 0.00 61.69 60.73 3kym s THR 97 Cb -0.23 -0.53 -0.02 0.00 1.34 0.00 0.00 72.50 73.06 3kym s THR 97 CO 0.30 0.18 0.39 -0.36 -0.54 0.00 0.00 174.62 174.58 3kym s PHE 98 N -0.08 3.34 0.00 3.99 0.40 -1.26 -3.19 117.98 121.18 3kym s PHE 98 Ca 0.01 -0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 3kym s PHE 98 Cb -0.04 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.80 3kym s PHE 98 CO -0.00 0.31 0.00 0.41 0.70 0.00 0.00 175.22 176.64 3kym n GLY 99 N -1.47 -2.82 0.00 4.36 0.00 -0.14 -4.50 105.19 100.62 3kym n GLY 99 Ca -0.06 -1.34 0.08 0.00 0.00 0.00 0.00 46.02 44.70 3kym n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kym n GLY 100 N 1.47 -0.56 0.00 -0.02 0.00 -1.26 -4.89 105.19 99.93 3kym n GLY 100 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3kym n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kym n GLY 101 N 1.43 2.40 2.94 -0.02 0.00 -1.26 -5.02 105.19 105.67 3kym n GLY 101 Ca 0.01 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 3kym n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kym s THR 102 N -1.77 1.46 0.11 2.61 2.01 -1.01 -4.65 115.64 114.40 3kym s THR 102 Ca 0.00 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.67 3kym s THR 102 Cb 0.00 -1.66 -0.06 0.00 0.01 0.00 0.00 72.50 70.80 3kym s THR 102 CO 0.00 0.02 0.97 -0.75 -0.69 0.00 0.00 174.62 174.17 3kym s LYS 103 N 1.45 4.69 -0.41 4.92 2.20 0.12 -2.36 119.74 130.35 3kym s LYS 103 Ca -0.03 1.47 -0.09 0.00 -0.36 0.00 0.00 55.97 56.95 3kym s LYS 103 Cb -0.17 -3.37 0.07 0.00 -1.51 0.00 0.00 37.83 32.85 3kym s LYS 103 CO -0.07 0.20 0.26 0.08 -0.36 0.00 0.00 175.35 175.46 3kym s VAL 104 N -0.00 4.27 0.31 4.02 1.01 -0.28 -0.84 120.40 128.89 3kym s VAL 104 Ca 0.47 -1.34 0.07 0.00 0.00 0.00 0.00 61.98 61.18 3kym s VAL 104 Cb -0.24 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3kym s VAL 104 CO 0.30 -0.48 0.26 -0.70 0.00 0.00 0.00 175.10 174.48 3kym s GLU 105 N 1.44 2.76 0.00 2.72 -6.30 0.99 -3.59 118.70 116.72 3kym s GLU 105 Ca 0.03 -1.24 0.00 0.00 -2.50 0.00 0.00 54.97 51.26 3kym s GLU 105 Cb -0.23 -2.48 0.00 0.00 0.00 0.00 0.00 34.13 31.42 3kym s GLU 105 CO 0.03 0.18 0.00 -0.89 0.02 0.00 0.00 175.26 174.60 3kym n ILE 106 N -1.31 0.00 -4.07 -3.70 5.41 -1.26 -1.44 119.36 112.99 3kym n ILE 106 Ca -0.04 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.64 3kym n ILE 106 Cb 0.59 -0.96 -0.10 0.00 -0.71 0.00 0.00 39.64 38.46 3kym n ILE 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3kym s LYS 107 N 1.84 0.57 0.00 0.38 -0.14 -1.25 -4.14 119.74 117.00 3kym s LYS 107 Ca 0.00 -1.12 0.00 0.00 -1.36 0.00 0.00 55.97 53.49 3kym s LYS 107 Cb 0.00 0.18 0.00 0.00 -1.68 0.00 0.00 37.83 36.33 3kym s LYS 107 CO 0.00 -0.10 0.00 -2.13 -0.76 0.00 0.00 175.35 172.36 3kym n ARG 108 N 0.35 0.00 -3.28 1.68 3.00 -1.26 -4.96 116.66 112.19 3kym n ARG 108 Ca -0.16 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.73 3kym n ARG 108 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.04 3kym n ARG 108 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 3kym s THR 109 N 0.00 -0.66 0.00 5.15 -1.32 -1.26 -5.16 115.64 112.38 3kym s THR 109 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3kym s THR 109 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3kym s THR 109 CO 0.00 0.00 0.00 1.33 -2.21 0.00 0.00 174.62 173.74 3kym n VAL 110 N 5.33 0.00 0.00 5.08 0.24 -1.26 -4.98 118.33 122.74 3kym n VAL 110 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3kym n VAL 110 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3kym n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kym n ALA 111 N -3.00 0.00 0.00 2.33 0.00 -1.25 -4.49 120.51 114.10 3kym n ALA 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kym n ALA 111 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kym n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kym n ALA 112 N 0.00 0.00 -3.04 0.00 0.00 -1.26 -4.46 120.51 111.74 3kym n ALA 112 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 3kym n ALA 112 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3kym n ALA 112 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kym s PRO 113 N -1.46 3.19 0.50 0.00 0.04 -1.14 -4.87 135.00 131.27 3kym s PRO 113 Ca 0.00 -1.38 -0.10 0.00 0.04 0.00 0.00 61.00 59.56 3kym s PRO 113 Cb 0.00 -4.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.11 3kym s PRO 113 CO 0.00 -1.62 0.87 0.45 0.04 0.00 0.00 177.00 176.74 3kym s SER 114 N 3.53 6.37 -0.47 6.66 0.15 -1.26 -2.80 113.70 125.89 3kym s SER 114 Ca 0.18 1.19 -0.02 0.00 0.70 0.00 0.00 55.95 58.00 3kym s SER 114 Cb -0.18 -2.36 0.29 0.00 -1.71 0.00 0.00 66.02 62.06 3kym s SER 114 CO 0.03 -0.60 2.07 0.52 1.20 0.00 0.00 173.24 176.46 3kym n VAL 115 N -2.02 3.14 0.00 4.45 0.31 -1.26 -5.00 118.33 117.95 3kym n VAL 115 Ca 0.03 -2.27 0.00 0.00 -0.01 0.00 0.00 64.34 62.09 3kym n VAL 115 Cb 0.54 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 3kym n VAL 115 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3kym n PHE 116 N -0.09 0.00 -3.27 3.52 3.01 -1.12 -4.70 117.46 114.80 3kym n PHE 116 Ca 0.44 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.85 3kym n PHE 116 Cb 0.59 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 40.01 3kym n PHE 116 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3kym s PRO 120 N 0.00 0.44 0.16 -1.08 0.04 -1.21 -5.12 135.00 128.23 3kym s PRO 120 Ca 0.00 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.63 3kym s PRO 120 Cb 0.00 -0.08 0.00 0.00 0.04 0.00 0.00 34.50 34.46 3kym s PRO 120 CO 0.00 -0.75 0.00 0.43 0.04 0.00 0.00 177.00 176.72 3kym n SER 121 N 5.39 -2.91 0.00 6.66 7.64 -1.26 -3.91 113.62 125.23 3kym n SER 121 Ca -0.01 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.19 3kym n SER 121 Cb 0.51 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 3kym n SER 121 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3kym n ASP 122 N -2.96 0.00 0.00 6.43 2.03 -1.26 -4.89 116.55 115.90 3kym n ASP 122 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 3kym n ASP 122 Cb 0.23 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 3kym n ASP 122 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3kym n GLU 123 N 0.00 0.00 -4.00 -0.67 -0.00 -1.26 -4.95 120.64 109.76 3kym n GLU 123 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.16 56.86 3kym n GLU 123 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 31.44 31.28 3kym n GLU 123 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 3kym s GLN 124 N 1.42 2.16 0.25 3.44 0.00 -1.26 -4.84 119.66 120.83 3kym s GLN 124 Ca 0.00 -0.64 0.14 0.00 -0.00 0.00 0.00 55.36 54.86 3kym s GLN 124 Cb 0.00 -2.19 0.03 0.00 0.00 0.00 0.00 33.01 30.85 3kym s GLN 124 CO 0.00 -0.31 1.42 -0.07 0.00 0.00 0.00 175.29 176.34 3kym h LEU 125 N 8.03 0.00 -7.17 2.60 4.07 -1.98 -3.39 115.31 117.47 3kym h LEU 125 Ca -0.34 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.12 3kym h LEU 125 Cb 1.12 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.88 3kym h LEU 125 CO 0.50 0.58 1.68 2.29 -1.08 0.00 0.00 178.44 182.41 3kym n LYS 126 N -3.25 1.41 0.00 1.13 2.85 -1.26 -4.51 118.16 114.54 3kym n LYS 126 Ca 0.02 -2.05 0.00 0.00 -1.05 0.00 0.00 58.31 55.23 3kym n LYS 126 Cb 0.77 -3.26 0.00 0.00 -0.65 0.00 0.00 35.03 31.89 3kym n LYS 126 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3kym n SER 127 N 10.77 0.00 0.08 -5.58 7.64 -1.26 -4.97 113.62 120.29 3kym n SER 127 Ca 0.47 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.47 3kym n SER 127 Cb 0.43 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.67 3kym n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kym n GLY 128 N -1.03 -1.40 3.72 0.23 0.00 -1.26 -4.77 105.19 100.68 3kym n GLY 128 Ca 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 3kym n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kym s THR 129 N -3.30 2.54 -0.04 2.61 -4.23 -1.26 -3.34 115.64 108.61 3kym s THR 129 Ca 0.01 0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 60.73 3kym s THR 129 Cb 0.11 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.35 3kym s THR 129 CO 0.78 -0.18 0.09 0.00 -0.54 0.00 0.00 174.62 174.77 3kym s ALA 130 N -2.34 -0.12 -0.01 3.99 0.00 -1.26 -4.63 121.76 117.39 3kym s ALA 130 Ca 0.69 0.48 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3kym s ALA 130 Cb -0.24 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.55 3kym s ALA 130 CO 0.49 -0.12 -0.00 -1.12 0.00 0.00 0.00 175.76 175.01 3kym s SER 131 N 1.00 0.23 -0.02 0.00 0.01 -1.26 -3.76 113.70 109.90 3kym s SER 131 Ca -0.08 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.19 3kym s SER 131 Cb -0.11 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.04 3kym s SER 131 CO -0.04 -0.04 -0.11 -0.69 0.41 0.00 0.00 173.24 172.77 3kym s VAL 132 N 0.48 0.89 0.16 3.43 1.01 -0.51 -4.47 120.40 121.39 3kym s VAL 132 Ca -0.04 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3kym s VAL 132 Cb -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.54 3kym s VAL 132 CO -0.01 0.27 0.32 0.68 0.00 0.00 0.00 175.10 176.36 3kym s VAL 133 N 0.07 0.07 0.00 2.92 -7.23 -1.26 0.38 120.40 115.35 3kym s VAL 133 Ca -0.01 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 3kym s VAL 133 Cb -0.08 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.17 3kym s VAL 133 CO 0.00 -0.31 0.00 0.00 -0.31 0.00 0.00 175.10 174.48 3kym s LEU 135 N -0.41 2.24 -0.23 0.00 0.05 -1.26 0.28 118.68 119.35 3kym s LEU 135 Ca 0.00 -0.65 -0.04 0.00 0.05 0.00 0.00 54.13 53.49 3kym s LEU 135 Cb 0.00 -1.20 -0.00 0.00 -2.05 0.00 0.00 46.19 42.94 3kym s LEU 135 CO 0.00 0.20 -0.04 -0.76 -0.55 0.00 0.00 176.35 175.20 3kym s LEU 136 N -1.61 2.96 -0.24 1.48 1.02 0.37 -4.16 118.68 118.51 3kym s LEU 136 Ca 0.12 -0.49 -0.09 0.00 0.02 0.00 0.00 54.13 53.69 3kym s LEU 136 Cb -0.10 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.34 3kym s LEU 136 CO 0.04 -0.05 0.11 0.21 0.02 0.00 0.00 176.35 176.68 3kym s ASN 137 N 1.45 5.62 -0.72 2.29 3.84 -1.15 -0.55 114.94 125.73 3kym s ASN 137 Ca 0.05 -0.04 -0.03 0.00 0.21 0.00 0.00 52.86 53.06 3kym s ASN 137 Cb -0.15 -2.01 -0.03 0.00 -0.55 0.00 0.00 41.25 38.51 3kym s ASN 137 CO -0.04 0.03 0.62 0.59 -2.79 0.00 0.00 177.10 175.52 3kym n ASN 138 N 4.49 -4.03 -4.39 -4.21 4.13 -1.07 -2.87 115.26 107.31 3kym n ASN 138 Ca -0.16 -0.45 -0.19 0.00 1.68 0.00 0.00 54.58 55.46 3kym n ASN 138 Cb 0.52 -3.59 -0.10 0.00 -1.54 0.00 0.00 39.78 35.07 3kym n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3kym s PHE 139 N -3.25 1.78 -0.26 3.10 -0.12 0.25 -4.23 117.98 115.25 3kym s PHE 139 Ca 0.20 -0.94 -0.26 0.00 -0.05 0.00 0.00 56.93 55.89 3kym s PHE 139 Cb -0.03 -1.09 0.10 0.00 -0.63 0.00 0.00 43.02 41.37 3kym s PHE 139 CO 0.48 -0.01 0.87 -0.47 -0.05 0.00 0.00 175.22 176.05 3kym s TYR 140 N -3.35 -0.62 0.30 3.49 5.04 -1.26 0.29 117.35 121.23 3kym s TYR 140 Ca 0.33 1.49 -0.05 0.00 -2.44 0.00 0.00 57.07 56.40 3kym s TYR 140 Cb 0.07 0.33 0.07 0.00 0.35 0.00 0.00 41.96 42.78 3kym s TYR 140 CO 0.13 -0.32 0.31 -2.30 -1.34 0.00 0.00 175.55 172.02 3kym n PRO 141 N 2.30 -1.13 0.05 4.97 -0.02 -1.26 -3.85 135.00 136.06 3kym n PRO 141 Ca -0.13 -0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 60.73 3kym n PRO 141 Cb 0.56 -0.40 -0.03 0.00 -0.02 0.00 0.00 33.50 33.61 3kym n PRO 141 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3kym h ARG 142 N 0.00 0.45 -6.27 -0.52 2.43 -2.00 -3.45 114.38 105.01 3kym h ARG 142 Ca -0.11 -0.43 -0.66 0.00 -0.81 0.00 0.00 59.98 57.97 3kym h ARG 142 Cb 0.32 0.11 0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3kym h ARG 142 CO 0.07 1.08 0.91 -0.85 -1.51 0.00 0.00 179.97 179.68 3kym n GLU 143 N -3.80 1.74 -3.80 0.20 -0.00 -1.26 -4.99 120.64 108.73 3kym n GLU 143 Ca -0.06 0.63 -0.12 0.00 -0.00 0.00 0.00 57.16 57.61 3kym n GLU 143 Cb 0.79 -2.39 -0.10 0.00 -0.00 0.00 0.00 31.44 29.73 3kym n GLU 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kym s ALA 144 N 2.96 -0.61 -0.19 -1.84 0.00 -1.26 -4.89 121.76 115.93 3kym s ALA 144 Ca 0.91 0.40 0.01 0.00 0.00 0.00 0.00 51.96 53.28 3kym s ALA 144 Cb -0.84 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.16 3kym s ALA 144 CO 0.53 -0.18 -0.18 0.15 0.00 0.00 0.00 175.76 176.08 3kym s LYS 145 N -0.67 2.78 -0.08 0.00 1.02 -0.54 -5.07 119.74 117.18 3kym s LYS 145 Ca -0.08 -0.88 0.03 0.00 0.02 0.00 0.00 55.97 55.06 3kym s LYS 145 Cb -0.04 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3kym s LYS 145 CO 0.02 -0.27 -0.17 0.54 -0.92 0.00 0.00 175.35 174.55 3kym s VAL 146 N 1.28 1.51 0.17 3.17 0.11 -1.26 -2.93 120.40 122.46 3kym s VAL 146 Ca 0.03 -0.69 0.05 0.00 -2.93 0.00 0.00 61.98 58.43 3kym s VAL 146 Cb -0.14 -1.34 -0.05 0.00 -1.53 0.00 0.00 36.38 33.32 3kym s VAL 146 CO -0.11 0.44 -0.08 -1.10 -3.33 0.00 0.00 175.10 170.91 3kym s GLN 147 N 0.55 1.16 -0.04 1.54 -0.21 -0.35 -4.96 119.66 117.36 3kym s GLN 147 Ca -0.16 -1.52 0.06 0.00 0.02 0.00 0.00 55.36 53.76 3kym s GLN 147 Cb -0.17 -0.68 -0.02 0.00 1.00 0.00 0.00 33.01 33.14 3kym s GLN 147 CO 0.06 0.05 -0.22 -1.58 -2.12 0.00 0.00 175.29 171.47 3kym s TRP 148 N -3.31 2.47 -0.25 0.91 0.52 -1.26 0.22 118.94 118.24 3kym s TRP 148 Ca 0.20 -0.39 -0.29 0.00 0.02 0.00 0.00 56.10 55.64 3kym s TRP 148 Cb 0.03 -1.56 -0.02 0.00 -1.15 0.00 0.00 33.47 30.77 3kym s TRP 148 CO 0.03 0.00 1.52 0.21 0.02 0.00 0.00 176.95 178.74 3kym s LYS 149 N -0.57 3.82 -0.76 4.98 2.20 -0.70 -3.80 119.74 124.91 3kym s LYS 149 Ca 0.08 1.51 -0.08 0.00 -0.36 0.00 0.00 55.97 57.12 3kym s LYS 149 Cb -0.11 -3.99 0.20 0.00 -1.51 0.00 0.00 37.83 32.42 3kym s LYS 149 CO 0.00 -1.26 0.64 0.08 -0.36 0.00 0.00 175.35 174.45 3kym s VAL 150 N 4.99 4.74 0.00 4.02 1.01 -0.43 -4.22 120.40 130.51 3kym s VAL 150 Ca 0.67 -2.81 0.00 0.00 0.00 0.00 0.00 61.98 59.84 3kym s VAL 150 Cb -0.22 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3kym s VAL 150 CO 0.28 -0.97 0.00 0.47 0.00 0.00 0.00 175.10 174.87 3kym n ASP 151 N 3.61 0.00 0.00 3.32 9.92 -1.26 -3.48 116.55 128.66 3kym n ASP 151 Ca 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 3kym n ASP 151 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 3kym n ASP 151 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3kym n ASN 152 N 3.88 0.00 -3.98 -2.24 5.03 -1.26 -4.64 115.26 112.05 3kym n ASN 152 Ca 0.00 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.37 3kym n ASN 152 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 3kym n ASN 152 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kym s ALA 153 N 0.00 0.15 0.79 5.41 0.00 -1.23 -4.93 121.76 121.96 3kym s ALA 153 Ca 0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 3kym s ALA 153 Cb 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 23.12 23.31 3kym s ALA 153 CO 0.00 -0.37 -0.23 -0.11 0.00 0.00 0.00 175.76 175.05 3kym n LEU 154 N 0.36 -3.43 -3.66 0.00 7.94 -1.25 -1.32 117.00 115.65 3kym n LEU 154 Ca -0.16 0.42 -0.08 0.00 -1.11 0.00 0.00 56.01 55.08 3kym n LEU 154 Cb 0.60 -0.92 -0.02 0.00 0.53 0.00 0.00 43.42 43.61 3kym n LEU 154 CO 0.25 -4.87 0.55 -1.58 -1.11 0.00 0.00 177.39 170.63 3kym s GLN 155 N -2.02 1.35 -0.69 1.96 0.74 -1.26 -4.66 119.66 115.08 3kym s GLN 155 Ca 0.52 -0.66 -0.27 0.00 0.05 0.00 0.00 55.36 55.00 3kym s GLN 155 Cb -0.31 0.52 -0.13 0.00 1.10 0.00 0.00 33.01 34.18 3kym s GLN 155 CO 0.72 -0.61 2.50 0.45 -0.55 0.00 0.00 175.29 177.80 3kym n SER 156 N -0.41 1.52 -3.57 6.67 2.88 -1.26 -4.76 113.62 114.69 3kym n SER 156 Ca -0.09 -0.37 -0.42 0.00 -1.33 0.00 0.00 58.87 56.66 3kym n SER 156 Cb 0.61 -1.35 -0.06 0.00 -0.75 0.00 0.00 64.21 62.66 3kym n SER 156 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kym n GLY 157 N 6.20 2.32 0.00 0.46 0.00 -1.26 -4.84 105.19 108.08 3kym n GLY 157 Ca 0.48 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3kym n GLY 157 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kym n ASN 158 N 7.44 0.00 -4.79 1.61 5.15 -1.26 -4.55 115.26 118.87 3kym n ASN 158 Ca 0.48 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 54.16 3kym n ASN 158 Cb 0.38 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.72 3kym n ASN 158 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3kym s SER 159 N 0.00 4.70 -0.59 1.20 1.04 -0.84 -4.91 113.70 114.30 3kym s SER 159 Ca 0.00 1.57 -0.03 0.00 0.48 0.00 0.00 55.95 57.98 3kym s SER 159 Cb 0.00 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.78 3kym s SER 159 CO 0.00 -1.87 0.51 0.00 0.98 0.00 0.00 173.24 172.86 3kym n GLN 160 N -3.40 -3.40 -2.23 4.02 1.13 -1.26 -4.91 117.38 107.33 3kym n GLN 160 Ca 0.08 0.38 -0.27 0.00 -1.94 0.00 0.00 57.00 55.24 3kym n GLN 160 Cb 0.54 -4.02 0.16 0.00 0.11 0.00 0.00 30.24 27.03 3kym n GLN 160 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 3kym s GLU 161 N -5.27 0.96 0.04 -1.09 4.04 -1.26 -4.75 118.70 111.37 3kym s GLU 161 Ca 0.18 -0.79 0.01 0.00 0.04 0.00 0.00 54.97 54.41 3kym s GLU 161 Cb -0.08 -2.05 -0.03 0.00 0.02 0.00 0.00 34.13 32.00 3kym s GLU 161 CO 0.33 -2.09 -0.05 0.45 -1.84 0.00 0.00 175.26 172.06 3kym s SER 162 N -4.86 0.58 -0.06 0.83 0.15 -0.57 -5.00 113.70 104.77 3kym s SER 162 Ca 0.72 -0.61 0.03 0.00 0.70 0.00 0.00 55.95 56.79 3kym s SER 162 Cb -0.04 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.37 3kym s SER 162 CO 0.50 -0.31 -0.14 0.68 1.20 0.00 0.00 173.24 175.17 3kym s VAL 163 N -1.86 1.23 0.65 4.45 -7.23 -1.26 -2.24 120.40 114.14 3kym s VAL 163 Ca -0.09 -0.56 -0.14 0.00 -1.81 0.00 0.00 61.98 59.38 3kym s VAL 163 Cb -0.07 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.76 3kym s VAL 163 CO -0.02 0.37 1.07 0.42 -0.31 0.00 0.00 175.10 176.63 3kym s THR 164 N 0.44 3.72 0.71 5.32 -4.23 -1.02 -5.02 115.64 115.57 3kym s THR 164 Ca -0.11 0.72 -0.11 0.00 -1.18 0.00 0.00 61.69 61.01 3kym s THR 164 Cb -0.14 -3.29 0.02 0.00 1.34 0.00 0.00 72.50 70.43 3kym s THR 164 CO 0.03 -0.57 1.07 -1.61 -0.54 0.00 0.00 174.62 173.00 3kym s GLU 165 N -4.40 2.77 -0.32 3.99 0.41 -1.26 -4.57 118.70 115.33 3kym s GLU 165 Ca 0.62 1.02 -0.41 0.00 -0.41 0.00 0.00 54.97 55.79 3kym s GLU 165 Cb -0.16 -1.97 -0.16 0.00 -1.78 0.00 0.00 34.13 30.06 3kym s GLU 165 CO 0.44 -1.23 1.76 0.94 -0.49 0.00 0.00 175.26 176.68 3kym n GLN 166 N -3.20 0.98 -1.95 1.61 7.27 -1.26 -4.82 117.38 116.01 3kym n GLN 166 Ca 0.08 0.36 -0.41 0.00 0.07 0.00 0.00 57.00 57.09 3kym n GLN 166 Cb 0.53 -2.03 -0.02 0.00 2.41 0.00 0.00 30.24 31.13 3kym n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3kym s ASP 167 N 3.72 6.57 0.00 1.69 2.15 0.41 -4.81 116.67 126.39 3kym s ASP 167 Ca 1.00 2.77 0.29 0.00 0.43 0.00 0.00 52.55 57.05 3kym s ASP 167 Cb -1.13 -2.63 1.61 0.00 -0.30 0.00 0.00 42.92 40.47 3kym s ASP 167 CO 0.67 -0.75 2.05 -1.54 -0.17 0.00 0.00 175.17 175.43 3kym n SER 168 N 1.98 0.00 -0.11 -0.34 3.41 -1.26 0.25 113.62 117.55 3kym n SER 168 Ca 0.06 -0.51 -0.18 0.00 -0.26 0.00 0.00 58.87 57.98 3kym n SER 168 Cb 0.40 -0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 64.10 3kym n SER 168 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3kym n LYS 169 N -1.15 0.51 0.00 4.33 4.81 -1.26 -4.83 118.16 120.58 3kym n LYS 169 Ca 0.18 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 3kym n LYS 169 Cb 0.17 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 33.84 3kym n LYS 169 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3kym n ASP 170 N -3.45 0.47 -2.01 3.14 3.85 -1.20 -5.04 116.55 112.31 3kym n ASP 170 Ca -0.40 -0.77 -0.16 0.00 -0.71 0.00 0.00 54.79 52.75 3kym n ASP 170 Cb 0.87 0.25 0.01 0.00 -1.35 0.00 0.00 41.12 40.91 3kym n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3kym n SER 171 N -0.25 -4.70 -4.99 -1.12 7.64 0.14 -4.94 113.62 105.40 3kym n SER 171 Ca 0.00 -0.13 -0.19 0.00 1.01 0.00 0.00 58.87 59.56 3kym n SER 171 Cb 0.04 -3.67 -0.00 0.00 -1.01 0.00 0.00 64.21 59.57 3kym n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3kym s THR 172 N -2.90 4.05 0.17 0.44 -4.23 -1.26 -4.60 115.64 107.31 3kym s THR 172 Ca 0.13 -0.94 0.07 0.00 -1.18 0.00 0.00 61.69 59.77 3kym s THR 172 Cb -0.06 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 3kym s THR 172 CO 0.16 -0.17 0.02 -0.31 -0.54 0.00 0.00 174.62 173.78 3kym s TYR 173 N -2.22 2.90 -0.00 3.99 1.51 0.15 -0.44 117.35 123.22 3kym s TYR 173 Ca 0.46 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.43 3kym s TYR 173 Cb -0.10 -1.41 -0.01 0.00 -0.11 0.00 0.00 41.96 40.34 3kym s TYR 173 CO 0.32 0.52 -0.07 -1.12 -1.11 0.00 0.00 175.55 174.08 3kym s SER 174 N -2.93 0.87 -0.08 2.29 0.01 -1.26 -0.58 113.70 112.02 3kym s SER 174 Ca 0.28 -0.17 -0.03 0.00 1.31 0.00 0.00 55.95 57.34 3kym s SER 174 Cb -0.10 -0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.09 3kym s SER 174 CO 0.19 0.07 0.17 -0.22 0.41 0.00 0.00 173.24 173.86 3kym s LEU 175 N -0.29 0.59 -0.08 2.44 0.20 0.29 -2.42 118.68 119.40 3kym s LEU 175 Ca 0.02 0.36 0.01 0.00 0.69 0.00 0.00 54.13 55.20 3kym s LEU 175 Cb -0.03 0.45 -0.03 0.00 -0.43 0.00 0.00 46.19 46.15 3kym s LEU 175 CO -0.00 -0.16 -0.09 -0.94 -0.29 0.00 0.00 176.35 174.87 3kym s SER 176 N 1.28 4.44 -0.02 3.68 1.04 -0.95 0.14 113.70 123.30 3kym s SER 176 Ca -0.08 -0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.31 3kym s SER 176 Cb -0.11 -1.23 -0.02 0.00 0.10 0.00 0.00 66.02 64.75 3kym s SER 176 CO -0.07 0.31 -0.25 -0.55 0.98 0.00 0.00 173.24 173.67 3kym s SER 177 N -0.49 3.17 -0.26 7.02 0.15 0.14 -1.51 113.70 121.92 3kym s SER 177 Ca 0.07 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.28 3kym s SER 177 Cb -0.12 -0.40 0.07 0.00 -1.71 0.00 0.00 66.02 63.87 3kym s SER 177 CO 0.02 0.32 0.01 -0.89 1.20 0.00 0.00 173.24 173.90 3kym s THR 178 N -0.63 1.33 -1.11 6.45 2.01 -1.26 -4.13 115.64 118.31 3kym s THR 178 Ca 0.10 -1.32 -0.22 0.00 0.31 0.00 0.00 61.69 60.57 3kym s THR 178 Cb -0.10 -1.77 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 3kym s THR 178 CO -0.01 -0.32 1.76 -0.22 -0.69 0.00 0.00 174.62 175.15 3kym s LEU 179 N 1.45 3.40 -0.02 4.42 2.96 0.16 -1.99 118.68 129.06 3kym s LEU 179 Ca 0.01 -1.59 0.00 0.00 -0.22 0.00 0.00 54.13 52.33 3kym s LEU 179 Cb -0.18 -2.58 0.04 0.00 0.50 0.00 0.00 46.19 43.97 3kym s LEU 179 CO -0.11 -2.10 0.87 0.41 -1.32 0.00 0.00 176.35 174.09 3kym n THR 180 N 7.22 0.75 0.00 3.68 -1.04 -1.26 -1.42 114.28 122.21 3kym n THR 180 Ca 0.42 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 3kym n THR 180 Cb 0.48 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 3kym n THR 180 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kym n LEU 181 N 0.27 0.00 0.00 -4.42 -0.00 -1.25 -4.80 117.00 106.80 3kym n LEU 181 Ca 0.03 0.12 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 3kym n LEU 181 Cb 0.46 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 3kym n LEU 181 CO 0.03 -0.03 0.00 -1.54 -0.00 0.00 0.00 177.39 175.84 3kym n SER 182 N -1.21 0.00 -3.77 1.45 3.41 -1.26 -5.02 113.62 107.23 3kym n SER 182 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3kym n SER 182 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3kym n SER 182 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3kym n LYS 183 N -0.76 1.57 0.00 4.33 -0.00 -1.21 -3.95 118.16 118.14 3kym n LYS 183 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3kym n LYS 183 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3kym n LYS 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kym n ALA 184 N -3.00 0.00 0.00 0.58 0.00 -1.26 0.08 120.51 116.91 3kym n ALA 184 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kym n ALA 184 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kym n ALA 184 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kym n ASP 185 N 0.74 0.00 0.00 0.00 5.75 -1.26 -1.01 116.55 120.77 3kym n ASP 185 Ca 0.00 0.24 0.01 0.00 -0.01 0.00 0.00 54.79 55.04 3kym n ASP 185 Cb 0.00 -0.24 0.06 0.00 -1.03 0.00 0.00 41.12 39.90 3kym n ASP 185 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kym n TYR 186 N -1.23 0.00 -2.21 2.11 0.18 0.11 -4.73 117.16 111.39 3kym n TYR 186 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3kym n TYR 186 Cb 0.02 -0.49 0.00 0.00 -0.38 0.00 0.00 39.34 38.49 3kym n TYR 186 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3kym n GLU 187 N -1.49 3.06 0.00 -3.48 -0.58 -0.18 -4.73 120.64 113.24 3kym n GLU 187 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3kym n GLU 187 Cb 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.90 3kym n GLU 187 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3kym n LYS 188 N -0.04 0.00 -2.68 3.49 0.00 -1.26 -4.88 118.16 112.79 3kym n LYS 188 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 3kym n LYS 188 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.99 3kym n LYS 188 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 3kym s HIS 189 N 0.00 3.42 0.00 5.58 -3.43 -1.26 -4.99 115.29 114.60 3kym s HIS 189 Ca 0.00 1.38 0.00 0.00 -0.80 0.00 0.00 55.06 55.64 3kym s HIS 189 Cb 0.00 -2.70 0.00 0.00 -1.43 0.00 0.00 32.58 28.45 3kym s HIS 189 CO 0.00 -0.20 0.00 1.63 -2.00 0.00 0.00 174.74 174.17 3kym n LYS 190 N -1.17 0.00 -3.64 -0.38 5.02 -1.12 -4.86 118.16 112.01 3kym n LYS 190 Ca 0.05 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.29 3kym n LYS 190 Cb 0.54 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.48 3kym n LYS 190 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kym s VAL 191 N 0.00 0.00 -0.02 -0.18 0.11 -1.26 -4.14 120.40 114.91 3kym s VAL 191 Ca 0.00 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 3kym s VAL 191 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3kym s VAL 191 CO 0.00 0.00 0.04 -0.31 -3.33 0.00 0.00 175.10 171.50 3kym s TYR 192 N 0.70 -0.04 -0.01 1.54 1.51 -0.08 -4.37 117.35 116.60 3kym s TYR 192 Ca -0.02 0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 56.16 3kym s TYR 192 Cb -0.04 -0.04 0.00 0.00 -0.11 0.00 0.00 41.96 41.77 3kym s TYR 192 CO -0.11 -0.04 0.03 0.00 -1.11 0.00 0.00 175.55 174.32 3kym s ALA 193 N 0.27 -0.06 -0.42 3.71 0.00 -1.26 -1.18 121.76 122.83 3kym s ALA 193 Ca -0.02 0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.83 3kym s ALA 193 Cb -0.03 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.06 3kym s ALA 193 CO -0.01 -0.02 0.53 0.00 0.00 0.00 0.00 175.76 176.26 3kym s GLU 195 N 2.44 3.99 0.37 0.00 2.02 0.61 -1.04 118.70 127.09 3kym s GLU 195 Ca 0.17 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.50 3kym s GLU 195 Cb -0.16 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.39 3kym s GLU 195 CO 0.16 -0.46 0.00 1.55 0.02 0.00 0.00 175.26 176.53 3kym n VAL 196 N 5.27 -0.00 0.10 2.63 3.14 -1.02 -1.21 118.33 127.23 3kym n VAL 196 Ca -0.02 0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.73 3kym n VAL 196 Cb 0.49 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.54 3kym n VAL 196 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 3kym n THR 197 N -3.73 0.00 0.00 1.55 -1.04 -1.15 -4.28 114.28 105.63 3kym n THR 197 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3kym n THR 197 Cb 0.64 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 3kym n THR 197 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3kym n HIS 198 N -2.98 0.00 0.00 -1.42 8.25 -1.25 -1.47 115.22 116.35 3kym n HIS 198 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kym n HIS 198 Cb 0.00 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.80 3kym n HIS 198 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3kym n GLN 199 N 0.50 0.00 -3.42 -0.41 -0.06 -1.26 -4.86 117.38 107.87 3kym n GLN 199 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.74 3kym n GLN 199 Cb 0.00 -0.55 -0.09 0.00 -4.06 0.00 0.00 30.24 25.55 3kym n GLN 199 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kym n GLY 200 N -2.00 3.78 7.00 1.69 0.00 -1.26 -4.87 105.19 109.52 3kym n GLY 200 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 3kym n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kym n LEU 201 N 1.42 0.00 -3.33 0.99 4.77 -1.26 -4.80 117.00 114.78 3kym n LEU 201 Ca 0.26 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 3kym n LEU 201 Cb 0.45 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 3kym n LEU 201 CO 0.28 0.00 -0.04 -0.94 -1.33 0.00 0.00 177.39 175.36 3kym s SER 202 N -4.00 0.15 -0.08 -1.43 1.04 -1.26 -3.88 113.70 104.24 3kym s SER 202 Ca 0.00 0.22 -0.04 0.00 0.48 0.00 0.00 55.95 56.61 3kym s SER 202 Cb 0.00 1.18 0.04 0.00 0.10 0.00 0.00 66.02 67.34 3kym s SER 202 CO 0.00 -0.30 0.19 -0.44 0.98 0.00 0.00 173.24 173.67 3kym s SER 203 N 2.57 -0.18 0.16 7.02 0.01 -1.26 -4.98 113.70 117.03 3kym s SER 203 Ca 0.13 0.40 0.07 0.00 1.31 0.00 0.00 55.95 57.85 3kym s SER 203 Cb -0.15 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 3kym s SER 203 CO -0.17 -0.15 -0.01 -2.16 0.41 0.00 0.00 173.24 171.16 3kym s PRO 204 N 1.09 2.41 0.14 12.44 0.04 -1.26 -2.45 135.00 147.40 3kym s PRO 204 Ca -0.08 -1.06 0.11 0.00 0.04 0.00 0.00 61.00 60.01 3kym s PRO 204 Cb -0.10 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 3kym s PRO 204 CO -0.06 0.47 -0.26 0.08 0.04 0.00 0.00 177.00 177.27 3kym s VAL 205 N -1.62 2.23 -0.03 -0.36 1.01 -0.21 -4.90 120.40 116.51 3kym s VAL 205 Ca 0.27 -1.78 -0.01 0.00 0.00 0.00 0.00 61.98 60.45 3kym s VAL 205 Cb -0.10 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.33 3kym s VAL 205 CO 0.18 0.05 0.06 -0.89 0.00 0.00 0.00 175.10 174.50 3kym s THR 206 N -1.15 -0.08 0.03 3.92 2.01 -1.26 0.33 115.64 119.43 3kym s THR 206 Ca 0.14 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.44 3kym s THR 206 Cb -0.10 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 3kym s THR 206 CO 0.06 0.12 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.51 3kym s LYS 207 N 1.46 0.42 -0.21 4.92 1.02 -0.32 -5.02 119.74 122.02 3kym s LYS 207 Ca -0.04 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.40 3kym s LYS 207 Cb -0.13 -0.21 0.04 0.00 -0.52 0.00 0.00 37.83 37.02 3kym s LYS 207 CO -0.03 0.04 -0.12 -1.54 -0.92 0.00 0.00 175.35 172.77 3kym s SER 208 N -1.16 3.60 -0.48 2.83 1.04 -1.26 -0.90 113.70 117.37 3kym s SER 208 Ca -0.08 -0.97 -0.29 0.00 0.48 0.00 0.00 55.95 55.09 3kym s SER 208 Cb -0.08 -1.35 0.03 0.00 0.10 0.00 0.00 66.02 64.72 3kym s SER 208 CO -0.00 -0.13 1.14 0.72 0.98 0.00 0.00 173.24 175.95 3kym s PHE 209 N 1.31 2.82 0.00 5.02 -0.12 -1.26 -4.78 117.98 120.96 3kym s PHE 209 Ca -0.02 0.71 0.00 0.00 -0.05 0.00 0.00 56.93 57.57 3kym s PHE 209 Cb -0.17 -4.43 0.00 0.00 -0.63 0.00 0.00 43.02 37.79 3kym s PHE 209 CO -0.08 -1.27 0.00 0.27 -0.05 0.00 0.00 175.22 174.09 3kym n ASN 210 N 7.84 0.00 -0.46 1.98 2.04 -1.26 -2.81 115.26 122.58 3kym n ASN 210 Ca 0.12 0.00 0.09 0.00 -0.44 0.00 0.00 54.58 54.35 3kym n ASN 210 Cb 0.49 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.75 3kym n ASN 210 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3kym n ARG 211 N 0.00 1.56 0.00 -3.83 3.00 -1.26 -5.13 116.66 111.00 3kym n ARG 211 Ca 0.00 -0.99 0.00 0.00 -0.01 0.00 0.00 57.85 56.85 3kym n ARG 211 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 32.46 31.12 3kym n ARG 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04