#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4i s GLU 8 N 0.00 0.24 0.16 -4.13 2.12 -1.26 -5.12 118.70 110.70 3k4i s GLU 8 Ca 0.00 0.41 -0.31 0.00 0.36 0.00 0.00 54.97 55.43 3k4i s GLU 8 Cb 0.00 0.01 -0.11 0.00 0.26 0.00 0.00 34.13 34.29 3k4i s GLU 8 CO 0.00 -0.09 1.80 0.71 -0.54 0.00 0.00 175.26 177.14 3k4i s TYR 9 N 0.64 2.40 -0.14 5.30 1.51 -1.26 -4.61 117.35 121.18 3k4i s TYR 9 Ca -0.04 0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.09 3k4i s TYR 9 Cb -0.06 -4.18 0.04 0.00 -0.11 0.00 0.00 41.96 37.66 3k4i s TYR 9 CO -0.04 -4.72 -0.02 0.99 -1.11 0.00 0.00 175.55 170.65 3k4i s THR 10 N 2.19 0.76 0.64 -0.71 2.01 -1.26 -5.07 115.64 114.21 3k4i s THR 10 Ca 0.79 -0.39 -0.15 0.00 0.31 0.00 0.00 61.69 62.25 3k4i s THR 10 Cb -0.48 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 3k4i s THR 10 CO 0.35 0.09 1.08 -2.16 -0.69 0.00 0.00 174.62 173.30 3k4i s PRO 11 N 1.78 2.98 -0.14 4.92 0.04 -1.26 -4.81 135.00 138.51 3k4i s PRO 11 Ca 0.02 1.26 0.02 0.00 0.04 0.00 0.00 61.00 62.34 3k4i s PRO 11 Cb -0.15 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.42 3k4i s PRO 11 CO -0.07 -1.09 -0.21 0.42 0.04 0.00 0.00 177.00 176.09 3k4i s ILE 12 N -2.49 1.98 0.40 0.56 1.01 -1.26 -5.06 121.20 116.34 3k4i s ILE 12 Ca 0.64 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 60.10 3k4i s ILE 12 Cb -0.18 -1.76 -0.11 0.00 0.01 0.00 0.00 42.46 40.42 3k4i s ILE 12 CO 0.42 0.53 1.32 0.00 0.00 0.00 0.00 174.94 177.21 3k4i n ALA 13 N 4.14 1.51 -0.22 9.38 0.00 -1.26 -4.86 120.51 129.19 3k4i n ALA 13 Ca -0.20 0.30 0.10 0.00 0.00 0.00 0.00 53.44 53.64 3k4i n ALA 13 Cb 0.51 -2.29 0.37 0.00 0.00 0.00 0.00 19.45 18.04 3k4i n ALA 13 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3k4i h GLN 14 N 2.35 0.69 -0.06 0.00 5.75 -1.99 -1.12 115.11 120.71 3k4i h GLN 14 Ca -0.48 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 57.92 3k4i h GLN 14 Cb 1.28 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 3k4i h GLN 14 CO 0.61 0.45 -0.24 0.66 -2.65 0.00 0.00 178.83 177.67 3k4i h SER 15 N 0.71 0.11 -0.06 -0.69 4.64 -1.99 0.10 113.55 116.36 3k4i h SER 15 Ca 0.38 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 3k4i h SER 15 Cb 0.51 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3k4i h SER 15 CO -0.15 0.35 0.01 0.58 -0.87 0.00 0.00 176.83 176.75 3k4i h VAL 16 N 0.10 1.20 -0.71 0.95 2.07 -1.58 -0.62 116.25 117.67 3k4i h VAL 16 Ca 0.02 -0.62 0.11 0.00 0.82 0.00 0.00 66.70 67.03 3k4i h VAL 16 Cb 0.48 1.50 -0.08 0.00 -1.52 0.00 0.00 31.29 31.68 3k4i h VAL 16 CO 0.03 0.17 0.32 -0.07 0.02 0.00 0.00 177.57 178.05 3k4i h LEU 17 N -0.13 0.38 -0.55 2.57 3.38 -1.02 -1.04 115.31 118.91 3k4i h LEU 17 Ca 0.02 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3k4i h LEU 17 Cb 0.26 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3k4i h LEU 17 CO 0.00 0.20 0.12 0.44 0.09 0.00 0.00 178.44 179.30 3k4i h ASP 18 N 0.53 0.84 0.32 -0.43 3.32 -0.71 -1.44 116.42 118.85 3k4i h ASP 18 Ca 0.36 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3k4i h ASP 18 Cb 0.44 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3k4i h ASP 18 CO -0.31 0.86 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.64 3k4i h GLU 19 N 0.78 0.00 0.00 3.56 4.39 -0.76 -1.78 114.58 120.77 3k4i h GLU 19 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3k4i h GLU 19 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3k4i h GLU 19 CO 0.00 0.10 -0.42 0.00 -1.16 0.00 0.00 179.01 177.53 3k4i h GLU 21 N 0.00 0.11 -0.02 0.00 4.81 -0.36 -1.01 114.58 118.11 3k4i h GLU 21 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3k4i h GLU 21 Cb 0.85 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3k4i h GLU 21 CO 0.00 0.07 -0.20 0.72 -0.73 0.00 0.00 179.01 178.87 3k4i n HIS 22 N -5.34 0.00 -2.24 0.92 8.25 -1.26 -4.91 115.22 110.64 3k4i n HIS 22 Ca 0.20 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.24 3k4i n HIS 22 Cb 0.65 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.73 3k4i n HIS 22 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3k4i s LEU 23 N -2.15 4.41 0.55 2.41 1.43 -0.39 -5.00 118.68 119.95 3k4i s LEU 23 Ca 0.23 2.37 -0.18 0.00 -1.03 0.00 0.00 54.13 55.52 3k4i s LEU 23 Cb 0.19 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.74 3k4i s LEU 23 CO 0.41 -0.52 1.06 -1.81 0.23 0.00 0.00 176.35 175.72 3k4i s ASP 24 N 0.39 5.94 0.44 2.29 -0.00 -1.26 -4.94 116.67 119.53 3k4i s ASP 24 Ca 0.57 1.92 0.10 0.00 -0.00 0.00 0.00 52.55 55.14 3k4i s ASP 24 Cb -0.36 -2.55 0.97 0.00 -0.00 0.00 0.00 42.92 40.98 3k4i s ASP 24 CO 0.37 -1.06 2.07 0.71 -0.00 0.00 0.00 175.17 177.27 3k4i h THR 25 N 0.93 1.08 -0.80 -1.27 1.35 -1.92 -2.25 112.91 110.03 3k4i h THR 25 Ca -0.48 -0.18 0.03 0.00 -0.55 0.00 0.00 66.41 65.22 3k4i h THR 25 Cb 1.23 0.69 -0.05 0.00 -1.73 0.00 0.00 68.15 68.29 3k4i h THR 25 CO 0.58 0.08 0.51 0.00 -0.25 0.00 0.00 175.52 176.44 3k4i h ALA 26 N 1.81 1.05 -0.51 6.62 0.00 -1.98 -0.45 119.26 125.78 3k4i h ALA 26 Ca 0.10 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3k4i h ALA 26 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3k4i h ALA 26 CO -0.02 0.34 -0.05 0.77 0.00 0.00 0.00 179.25 180.30 3k4i h SER 27 N 1.01 0.93 -0.42 0.00 0.02 -1.76 -0.61 113.55 112.71 3k4i h SER 27 Ca 0.32 -0.33 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 3k4i h SER 27 Cb -0.01 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3k4i h SER 27 CO -0.11 1.04 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.37 3k4i h LEU 28 N 0.80 0.93 -0.62 5.07 3.38 -1.20 -1.66 115.31 122.01 3k4i h LEU 28 Ca 0.14 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3k4i h LEU 28 Cb 0.59 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3k4i h LEU 28 CO 0.04 1.09 0.07 -1.28 0.09 0.00 0.00 178.44 178.44 3k4i h SER 29 N 0.80 1.01 -0.73 -0.43 0.87 -0.92 -0.35 113.55 113.80 3k4i h SER 29 Ca 0.11 -0.28 -0.05 0.00 -1.23 0.00 0.00 61.79 60.34 3k4i h SER 29 Cb 0.73 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 3k4i h SER 29 CO 0.06 1.03 0.25 0.44 -0.53 0.00 0.00 176.83 178.08 3k4i h ASP 30 N 0.95 1.05 -0.22 6.23 3.32 -0.94 0.11 116.42 126.92 3k4i h ASP 30 Ca 0.18 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3k4i h ASP 30 Cb 0.47 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3k4i h ASP 30 CO 0.02 0.96 0.06 0.00 -1.72 0.00 0.00 179.24 178.56 3k4i h ALA 31 N 1.18 0.28 -0.58 3.45 0.00 -1.12 -2.29 119.26 120.18 3k4i h ALA 31 Ca 0.24 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3k4i h ALA 31 Cb 0.27 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3k4i h ALA 31 CO -0.01 -0.08 0.32 -0.07 0.00 0.00 0.00 179.25 179.41 3k4i h LEU 32 N 0.17 0.48 -1.30 0.00 3.38 -0.73 -1.99 115.31 115.32 3k4i h LEU 32 Ca 0.07 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.17 3k4i h LEU 32 Cb 0.26 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3k4i h LEU 32 CO -0.00 0.32 0.55 0.44 0.09 0.00 0.00 178.44 179.84 3k4i h ASP 33 N 0.61 0.69 0.36 -0.43 3.32 -0.61 0.16 116.42 120.52 3k4i h ASP 33 Ca 0.25 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 3k4i h ASP 33 Cb 0.13 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3k4i h ASP 33 CO -0.15 0.39 -0.02 0.77 -1.72 0.00 0.00 179.24 178.51 3k4i h SER 34 N 0.75 0.00 -0.30 6.45 4.64 -0.78 0.61 113.55 124.93 3k4i h SER 34 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3k4i h SER 34 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3k4i h SER 34 CO -0.17 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 175.99 3k4i n LEU 35 N -3.21 3.14 -0.34 5.97 4.77 -0.04 -4.97 117.00 122.31 3k4i n LEU 35 Ca -0.02 -1.30 -0.04 0.00 -0.03 0.00 0.00 56.01 54.63 3k4i n LEU 35 Cb 0.17 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3k4i n LEU 35 CO 0.24 0.65 -0.04 0.61 -1.33 0.00 0.00 177.39 177.52 3k4i n GLY 36 N 1.43 0.45 3.34 -0.72 0.00 0.21 -5.05 105.19 104.86 3k4i n GLY 36 Ca 0.18 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 3k4i n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 37 N -2.16 2.80 -0.12 -0.61 1.01 -0.68 -4.98 121.20 116.47 3k4i s ILE 37 Ca 0.00 -0.76 -0.24 0.00 0.00 0.00 0.00 60.65 59.65 3k4i s ILE 37 Cb 0.00 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 3k4i s ILE 37 CO 0.00 0.54 0.73 -1.81 0.00 0.00 0.00 174.94 174.40 3k4i s ASP 38 N 0.23 6.93 0.00 3.58 1.01 -1.26 -3.20 116.67 123.96 3k4i s ASP 38 Ca -0.10 1.13 0.00 0.00 0.71 0.00 0.00 52.55 54.28 3k4i s ASP 38 Cb -0.16 -2.41 0.00 0.00 1.01 0.00 0.00 42.92 41.36 3k4i s ASP 38 CO 0.06 -0.23 0.03 0.61 0.21 0.00 0.00 175.17 175.85 3k4i n GLY 39 N 3.33 0.84 3.78 0.21 0.00 -1.26 -4.95 105.19 107.13 3k4i n GLY 39 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3k4i n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k4i s GLY 40 N -0.89 2.77 -0.73 -0.02 0.00 -1.26 -0.41 107.32 106.78 3k4i s GLY 40 Ca 0.00 0.72 -0.03 0.00 0.00 0.00 0.00 44.72 45.41 3k4i s GLY 40 CO 0.00 1.17 0.57 1.08 0.00 0.00 0.00 173.10 175.92 3k4i s LEU 41 N -2.52 5.39 0.36 0.66 1.43 -0.56 -4.94 118.68 118.51 3k4i s LEU 41 Ca 0.56 -3.18 -0.28 0.00 -1.03 0.00 0.00 54.13 50.20 3k4i s LEU 41 Cb -0.23 -1.88 -0.11 0.00 0.03 0.00 0.00 46.19 44.00 3k4i s LEU 41 CO 0.29 -0.30 1.50 -2.16 0.23 0.00 0.00 176.35 175.91 3k4i s PRO 42 N -0.54 4.11 0.00 1.29 0.04 -1.26 -2.24 135.00 136.40 3k4i s PRO 42 Ca 0.21 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.82 3k4i s PRO 42 Cb -0.15 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3k4i s PRO 42 CO -0.07 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.83 3k4i n GLY 43 N 0.70 2.86 3.51 0.56 0.00 -1.26 -4.96 105.19 106.60 3k4i n GLY 43 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3k4i n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 44 N -2.08 4.12 0.04 -0.61 -1.09 -0.95 -4.28 121.20 116.35 3k4i s ILE 44 Ca 0.00 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 3k4i s ILE 44 Cb 0.00 -4.86 -0.04 0.00 -1.58 0.00 0.00 42.46 35.98 3k4i s ILE 44 CO 0.00 -1.70 0.15 0.00 -1.23 0.00 0.00 174.94 172.16 3k4i s ALA 45 N 4.54 3.81 0.21 9.38 0.00 0.19 -4.06 121.76 135.83 3k4i s ALA 45 Ca 0.33 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 3k4i s ALA 45 Cb -0.08 -1.70 -0.11 0.00 0.00 0.00 0.00 23.12 21.23 3k4i s ALA 45 CO 0.04 0.77 1.57 0.45 0.00 0.00 0.00 175.76 178.58 3k4i s SER 46 N -2.22 6.53 -0.00 0.00 0.15 -1.26 -1.32 113.70 115.58 3k4i s SER 46 Ca 0.30 2.72 0.16 0.00 0.70 0.00 0.00 55.95 59.83 3k4i s SER 46 Cb -0.13 -2.61 -0.18 0.00 -1.71 0.00 0.00 66.02 61.39 3k4i s SER 46 CO 0.22 -0.84 0.65 0.00 1.20 0.00 0.00 173.24 174.47 3k4i n GLN 47 N 3.35 1.56 -3.88 5.44 1.13 -0.11 -4.83 117.38 120.04 3k4i n GLN 47 Ca 0.12 -0.02 -0.30 0.00 -1.94 0.00 0.00 57.00 54.86 3k4i n GLN 47 Cb 0.38 -1.27 -0.15 0.00 0.11 0.00 0.00 30.24 29.31 3k4i n GLN 47 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k4i s VAL 48 N -2.59 1.69 0.12 5.09 1.01 -1.26 -4.96 120.40 119.50 3k4i s VAL 48 Ca 0.05 -2.06 -0.34 0.00 0.00 0.00 0.00 61.98 59.63 3k4i s VAL 48 Cb 0.12 -2.24 -0.18 0.00 0.00 0.00 0.00 36.38 34.08 3k4i s VAL 48 CO 0.66 -0.67 0.96 -2.65 0.00 0.00 0.00 175.10 173.41 3k4i n PRO 49 N 4.36 0.45 -0.88 2.72 -0.02 -1.26 -2.32 135.00 138.04 3k4i n PRO 49 Ca 0.02 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3k4i n PRO 49 Cb 0.41 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 3k4i n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4i n GLY 50 N 1.84 0.71 3.97 -1.23 0.00 -1.26 -5.04 105.19 104.17 3k4i n GLY 50 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3k4i n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k4i s THR 51 N -2.68 4.24 0.15 2.61 -4.23 -0.98 -5.07 115.64 109.69 3k4i s THR 51 Ca 0.00 -1.05 -0.23 0.00 -1.18 0.00 0.00 61.69 59.23 3k4i s THR 51 Cb 0.00 -3.47 0.07 0.00 1.34 0.00 0.00 72.50 70.45 3k4i s THR 51 CO 0.00 -0.20 0.62 0.00 -0.54 0.00 0.00 174.62 174.51 3k4i s ARG 52 N -4.11 1.25 0.07 3.99 1.70 -1.26 -4.17 118.95 116.42 3k4i s ARG 52 Ca 0.42 -0.46 -0.14 0.00 -0.47 0.00 0.00 55.73 55.09 3k4i s ARG 52 Cb -0.09 0.57 0.02 0.00 -0.57 0.00 0.00 34.95 34.88 3k4i s ARG 52 CO 0.30 -0.55 0.31 0.00 -1.08 0.00 0.00 175.30 174.28 3k4i s VAL 54 N -3.08 0.34 -0.71 0.00 1.01 -1.26 -1.53 120.40 115.16 3k4i s VAL 54 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3k4i s VAL 54 Cb 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 36.03 3k4i s VAL 54 CO -0.07 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3k4i n GLY 55 N 3.69 -1.27 3.71 4.51 0.00 -1.26 -4.89 105.19 109.67 3k4i n GLY 55 Ca -0.22 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 3k4i n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 56 N -2.85 5.33 0.06 -0.61 -1.09 -0.87 -4.49 121.20 116.68 3k4i s ILE 56 Ca 0.00 0.41 -0.31 0.00 -2.23 0.00 0.00 60.65 58.53 3k4i s ILE 56 Cb 0.00 -3.58 -0.08 0.00 -1.58 0.00 0.00 42.46 37.22 3k4i s ILE 56 CO 0.00 0.37 1.63 0.00 -1.23 0.00 0.00 174.94 175.71 3k4i s ALA 57 N 0.68 3.67 -0.27 9.38 0.00 0.65 -0.67 121.76 135.20 3k4i s ALA 57 Ca 0.13 1.17 -0.05 0.00 0.00 0.00 0.00 51.96 53.21 3k4i s ALA 57 Cb -0.13 -3.69 0.01 0.00 0.00 0.00 0.00 23.12 19.32 3k4i s ALA 57 CO 0.03 -1.09 0.02 0.12 0.00 0.00 0.00 175.76 174.84 3k4i s PHE 58 N 2.63 3.09 0.06 0.00 5.36 -0.36 -1.08 117.98 127.68 3k4i s PHE 58 Ca 0.73 -1.11 -0.08 0.00 -0.96 0.00 0.00 56.93 55.50 3k4i s PHE 58 Cb -0.39 -2.17 -0.05 0.00 -0.34 0.00 0.00 43.02 40.07 3k4i s PHE 58 CO 0.32 -0.61 0.35 0.95 -1.46 0.00 0.00 175.22 174.77 3k4i s THR 59 N 1.45 5.18 -0.04 0.12 -4.23 -1.26 -0.80 115.64 116.06 3k4i s THR 59 Ca 0.03 0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.84 3k4i s THR 59 Cb -0.16 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.09 3k4i s THR 59 CO -0.00 0.30 0.03 -0.69 -0.54 0.00 0.00 174.62 173.72 3k4i s VAL 60 N -1.37 0.10 -0.19 2.29 1.01 -0.05 -0.84 120.40 121.35 3k4i s VAL 60 Ca 0.31 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 3k4i s VAL 60 Cb -0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 3k4i s VAL 60 CO 0.18 0.18 -0.05 -1.58 0.00 0.00 0.00 175.10 173.83 3k4i s GLN 61 N 1.71 3.49 0.27 2.72 2.00 -0.03 -0.57 119.66 129.25 3k4i s GLN 61 Ca -0.00 -0.59 0.05 0.00 -2.00 0.00 0.00 55.36 52.82 3k4i s GLN 61 Cb -0.13 -2.94 -0.02 0.00 0.80 0.00 0.00 33.01 30.72 3k4i s GLN 61 CO -0.03 0.01 0.39 0.71 -0.50 0.00 0.00 175.29 175.86 3k4i s TYR 62 N 0.96 3.35 0.12 1.67 2.02 -0.21 -0.07 117.35 125.18 3k4i s TYR 62 Ca -0.00 -0.08 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 3k4i s TYR 62 Cb -0.15 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 3k4i s TYR 62 CO 0.01 0.31 0.16 1.14 -1.57 0.00 0.00 175.55 175.60 3k4i s GLN 63 N -4.04 0.93 0.78 -0.62 -2.07 0.76 -4.75 119.66 110.66 3k4i s GLN 63 Ca 0.37 -1.18 -0.13 0.00 -1.82 0.00 0.00 55.36 52.61 3k4i s GLN 63 Cb -0.09 0.31 0.07 0.00 -1.09 0.00 0.00 33.01 32.21 3k4i s GLN 63 CO 0.30 -0.30 1.15 -1.25 -1.32 0.00 0.00 175.29 173.87 3k4i s PRO 64 N -3.95 1.95 0.28 9.60 0.04 -1.26 -0.19 135.00 141.47 3k4i s PRO 64 Ca 0.14 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 3k4i s PRO 64 Cb 0.05 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 3k4i s PRO 64 CO -0.04 -1.93 1.15 0.14 0.04 0.00 0.00 177.00 176.36 3k4i s VAL 65 N -2.42 3.34 -1.20 -0.36 -7.23 -1.22 -4.58 120.40 106.73 3k4i s VAL 65 Ca 0.68 1.32 0.00 0.00 -1.81 0.00 0.00 61.98 62.18 3k4i s VAL 65 Cb -0.23 -3.84 0.00 0.00 0.56 0.00 0.00 36.38 32.86 3k4i s VAL 65 CO 0.50 0.31 0.00 -0.46 -0.31 0.00 0.00 175.10 175.14 3k4i n ASN 76 N 1.24 0.00 0.31 4.85 2.04 -1.26 -5.06 115.26 117.38 3k4i n ASN 76 Ca -0.00 0.00 0.17 0.00 -0.44 0.00 0.00 54.58 54.31 3k4i n ASN 76 Cb 0.44 0.00 1.00 0.00 -2.53 0.00 0.00 39.78 38.69 3k4i n ASN 76 CO 0.00 0.00 0.00 0.10 -0.44 0.00 0.00 177.26 176.92 3k4i h TYR 77 N 0.00 0.00 0.00 -2.53 -0.00 -2.03 -3.27 116.97 109.13 3k4i h TYR 77 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 3k4i h TYR 77 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 3k4i h TYR 77 CO 0.00 0.01 -0.06 0.97 -0.00 0.00 0.00 178.16 179.07 3k4i h ILE 78 N 0.00 0.26 0.00 -0.90 2.10 -2.04 -0.56 117.51 116.37 3k4i h ILE 78 Ca -0.00 -0.45 -0.01 0.00 1.08 0.00 0.00 64.86 65.49 3k4i h ILE 78 Cb 0.02 1.35 -0.00 0.00 -1.09 0.00 0.00 36.82 37.10 3k4i h ILE 78 CO 0.00 0.06 -0.03 0.44 -1.08 0.00 0.00 178.15 177.55 3k4i h ASP 79 N 0.00 0.00 0.19 2.19 3.32 -2.04 -2.01 116.42 118.07 3k4i h ASP 79 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k4i h ASP 79 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3k4i h ASP 79 CO 0.01 0.03 -0.18 0.00 -1.72 0.00 0.00 179.24 177.38 3k4i n GLN 80 N -3.27 1.01 -2.82 3.56 6.02 -0.22 -4.90 117.38 116.76 3k4i n GLN 80 Ca -0.02 -0.57 -0.42 0.00 -0.01 0.00 0.00 57.00 55.98 3k4i n GLN 80 Cb 0.16 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.90 3k4i n GLN 80 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3k4i s VAL 81 N -2.38 4.75 0.48 5.09 1.01 -0.76 -5.02 120.40 123.58 3k4i s VAL 81 Ca 0.28 1.60 -0.23 0.00 0.00 0.00 0.00 61.98 63.64 3k4i s VAL 81 Cb 0.20 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 3k4i s VAL 81 CO 0.47 -0.19 1.23 -2.84 0.00 0.00 0.00 175.10 173.77 3k4i s PRO 82 N 3.05 3.61 0.33 2.72 0.02 -1.26 -4.97 135.00 138.49 3k4i s PRO 82 Ca 0.38 1.93 -0.26 0.00 0.02 0.00 0.00 61.00 63.07 3k4i s PRO 82 Cb -0.15 -2.40 -0.13 0.00 0.02 0.00 0.00 34.50 31.85 3k4i s PRO 82 CO 0.09 -0.72 0.86 0.45 -0.33 0.00 0.00 177.00 177.35 3k4i n SER 83 N -0.58 0.55 0.00 2.53 2.88 -1.26 -2.31 113.62 115.43 3k4i n SER 83 Ca 0.08 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 3k4i n SER 83 Cb 0.47 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 3k4i n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k4i n GLY 84 N 1.42 0.88 3.80 0.46 0.00 0.69 -4.97 105.19 107.45 3k4i n GLY 84 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3k4i n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4i s SER 85 N -2.89 6.10 -0.23 1.61 0.01 -0.98 -2.05 113.70 115.28 3k4i s SER 85 Ca 0.00 1.91 -0.05 0.00 1.31 0.00 0.00 55.95 59.13 3k4i s SER 85 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 3k4i s SER 85 CO 0.00 -0.95 -0.01 -0.69 0.41 0.00 0.00 173.24 172.00 3k4i s VAL 86 N -2.12 3.64 -0.01 3.43 1.01 0.15 -0.93 120.40 125.57 3k4i s VAL 86 Ca 0.67 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 3k4i s VAL 86 Cb -0.17 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3k4i s VAL 86 CO 0.26 0.39 1.13 -0.63 0.00 0.00 0.00 175.10 176.26 3k4i s ILE 87 N 1.52 4.37 -0.29 2.22 1.01 -0.21 -1.22 121.20 128.59 3k4i s ILE 87 Ca 0.06 1.69 -0.01 0.00 0.00 0.00 0.00 60.65 62.39 3k4i s ILE 87 Cb -0.15 -4.08 0.05 0.00 0.01 0.00 0.00 42.46 38.29 3k4i s ILE 87 CO -0.01 0.07 -0.03 -0.69 0.00 0.00 0.00 174.94 174.28 3k4i s VAL 88 N 1.56 2.78 -0.20 2.92 1.01 0.02 -0.45 120.40 128.05 3k4i s VAL 88 Ca 0.55 -1.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3k4i s VAL 88 Cb -0.25 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3k4i s VAL 88 CO 0.25 -0.06 -0.01 -0.44 0.00 0.00 0.00 175.10 174.84 3k4i s SER 89 N 1.22 4.72 -0.22 3.32 0.01 0.59 -0.87 113.70 122.49 3k4i s SER 89 Ca -0.06 -0.23 -0.08 0.00 1.31 0.00 0.00 55.95 56.89 3k4i s SER 89 Cb -0.20 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 3k4i s SER 89 CO -0.02 0.06 0.09 -0.44 0.41 0.00 0.00 173.24 173.34 3k4i s SER 90 N 1.03 5.59 -0.27 2.44 0.01 0.27 -0.56 113.70 122.20 3k4i s SER 90 Ca 0.02 -0.01 0.20 0.00 1.31 0.00 0.00 55.95 57.47 3k4i s SER 90 Cb -0.14 -1.99 0.50 0.00 0.21 0.00 0.00 66.02 64.60 3k4i s SER 90 CO 0.01 0.08 1.10 -3.20 0.41 0.00 0.00 173.24 171.64 3k4i n ASN 91 N 4.19 2.03 -1.90 2.44 5.15 -0.09 -1.05 115.26 126.04 3k4i n ASN 91 Ca -0.16 -2.33 -0.13 0.00 -0.60 0.00 0.00 54.58 51.36 3k4i n ASN 91 Cb 0.52 -0.47 -0.03 0.00 -0.53 0.00 0.00 39.78 39.27 3k4i n ASN 91 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k4i n SER 92 N -0.56 -3.65 -0.97 1.20 7.64 -1.23 -1.46 113.62 114.59 3k4i n SER 92 Ca 0.12 0.25 -0.13 0.00 1.01 0.00 0.00 58.87 60.13 3k4i n SER 92 Cb 0.82 -3.26 -0.05 0.00 -1.01 0.00 0.00 64.21 60.71 3k4i n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4i n GLY 93 N -0.52 1.34 3.76 0.23 0.00 -0.73 -4.94 105.19 104.34 3k4i n GLY 93 Ca -0.14 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 3k4i n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k4i s ARG 94 N -3.01 3.67 0.00 1.61 0.52 -0.54 -4.66 118.95 116.55 3k4i s ARG 94 Ca 0.00 2.14 0.07 0.00 -0.52 0.00 0.00 55.73 57.41 3k4i s ARG 94 Cb 0.00 -2.55 0.08 0.00 0.52 0.00 0.00 34.95 33.01 3k4i s ARG 94 CO 0.00 -0.73 0.81 0.72 0.02 0.00 0.00 175.30 176.12 3k4i n HIS 95 N -0.34 0.06 1.00 -0.53 8.25 -1.26 -3.58 115.22 118.83 3k4i n HIS 95 Ca 0.06 -0.11 0.11 0.00 -0.26 0.00 0.00 57.72 57.52 3k4i n HIS 95 Cb 0.45 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.54 3k4i n HIS 95 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3k4i n ASP 96 N 0.32 1.90 -3.52 0.41 5.75 -1.26 -4.94 116.55 115.21 3k4i n ASP 96 Ca 0.05 -1.45 -0.12 0.00 -0.01 0.00 0.00 54.79 53.26 3k4i n ASP 96 Cb 0.21 0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 40.80 3k4i n ASP 96 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k4i s THR 98 N -3.44 2.51 -0.14 0.00 -4.23 -0.34 -4.37 115.64 105.64 3k4i s THR 98 Ca 0.00 -1.60 0.15 0.00 -1.18 0.00 0.00 61.69 59.06 3k4i s THR 98 Cb -0.00 -2.12 0.31 0.00 1.34 0.00 0.00 72.50 72.03 3k4i s THR 98 CO -0.10 0.13 1.16 1.33 -0.54 0.00 0.00 174.62 176.59 3k4i n VAL 99 N 0.96 1.74 -3.62 2.29 0.24 -1.01 -3.12 118.33 115.80 3k4i n VAL 99 Ca -0.17 -2.29 -0.15 0.00 -2.04 0.00 0.00 64.34 59.70 3k4i n VAL 99 Cb 0.53 -0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 32.70 3k4i n VAL 99 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3k4i s TRP 100 N -2.62 -0.71 0.00 6.34 -0.11 -1.26 -5.05 118.94 115.53 3k4i s TRP 100 Ca 0.31 1.63 0.00 0.00 1.22 0.00 0.00 56.10 59.26 3k4i s TRP 100 Cb 0.28 0.28 0.00 0.00 -1.50 0.00 0.00 33.47 32.54 3k4i s TRP 100 CO -0.01 -0.41 0.00 0.41 -4.62 0.00 0.00 176.95 172.32 3k4i n GLY 101 N 2.30 2.79 0.26 5.86 0.00 -1.26 -0.74 105.19 114.40 3k4i n GLY 101 Ca -0.15 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 3k4i n GLY 101 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3k4i h ASP 102 N 0.00 0.92 0.00 1.61 3.04 -1.85 -1.94 116.42 118.21 3k4i h ASP 102 Ca 0.00 -0.39 0.00 0.00 -3.24 0.00 0.00 57.03 53.40 3k4i h ASP 102 Cb 0.00 -0.25 0.00 0.00 -1.04 0.00 0.00 39.33 38.04 3k4i h ASP 102 CO 0.00 1.10 0.00 -0.38 -2.04 0.00 0.00 179.24 177.92 3k4i n ILE 103 N -4.21 0.01 0.00 4.15 5.41 -1.26 -1.70 119.36 121.77 3k4i n ILE 103 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3k4i n ILE 103 Cb 0.42 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.22 3k4i n ILE 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3k4i n THR 105 N 0.56 0.00 0.02 1.39 -1.04 -0.73 -1.02 114.28 113.46 3k4i n THR 105 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 3k4i n THR 105 Cb 0.02 0.00 0.28 0.00 -1.82 0.00 0.00 70.33 68.81 3k4i n THR 105 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 3k4i h HIS 106 N 0.00 0.49 -0.05 -1.42 -0.00 -1.61 -1.18 115.15 111.38 3k4i h HIS 106 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 3k4i h HIS 106 Cb 0.00 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.27 3k4i h HIS 106 CO 0.00 0.55 0.02 0.35 -0.00 0.00 0.00 177.93 178.85 3k4i h PHE 107 N 0.43 0.04 -0.94 2.45 3.57 -1.33 -2.39 116.94 118.76 3k4i h PHE 107 Ca 0.08 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3k4i h PHE 107 Cb 0.44 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 3k4i h PHE 107 CO 0.01 0.02 0.58 0.00 -2.23 0.00 0.00 178.31 176.70 3k4i h ALA 108 N 1.03 1.25 0.00 2.41 0.00 -1.68 -1.79 119.26 120.48 3k4i h ALA 108 Ca 0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3k4i h ALA 108 Cb 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3k4i h ALA 108 CO -0.02 0.65 -0.27 -0.07 0.00 0.00 0.00 179.25 179.55 3k4i h LEU 109 N 1.30 0.00 -0.02 0.00 3.38 -1.12 -2.24 115.31 116.61 3k4i h LEU 109 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3k4i h LEU 109 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3k4i h LEU 109 CO -0.07 0.27 -0.38 0.00 0.09 0.00 0.00 178.44 178.35 3k4i n ALA 110 N -2.40 3.26 -1.31 1.53 0.00 -0.74 -4.35 120.51 116.51 3k4i n ALA 110 Ca -0.02 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.15 3k4i n ALA 110 Cb 0.34 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.63 3k4i n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k4i n ASN 111 N -1.47 0.86 -0.84 0.00 3.02 -0.77 -5.01 115.26 111.05 3k4i n ASN 111 Ca 0.06 -2.08 -0.09 0.00 -0.03 0.00 0.00 54.58 52.44 3k4i n ASN 111 Cb 0.34 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 3k4i n ASN 111 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4i n GLY 112 N -0.43 0.68 3.71 7.41 0.00 -0.92 -3.98 105.19 111.65 3k4i n GLY 112 Ca 0.04 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 3k4i n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 113 N -2.39 4.95 -0.10 -0.61 1.01 -0.89 -0.23 121.20 122.94 3k4i s ILE 113 Ca 0.00 1.75 0.15 0.00 0.00 0.00 0.00 60.65 62.55 3k4i s ILE 113 Cb 0.00 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 3k4i s ILE 113 CO 0.00 0.19 1.08 0.11 0.00 0.00 0.00 174.94 176.32 3k4i h LYS 114 N 6.82 0.00 0.00 2.79 1.79 -1.33 -3.42 116.57 123.23 3k4i h LYS 114 Ca -0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 3k4i h LYS 114 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3k4i h LYS 114 CO 0.76 0.45 0.00 0.41 -1.08 0.00 0.00 179.45 179.99 3k4i n GLY 115 N 1.34 0.01 2.94 3.86 0.00 -1.25 -4.47 105.19 107.63 3k4i n GLY 115 Ca -0.05 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 3k4i n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4i s THR 116 N -2.00 0.62 -0.13 2.61 2.01 -0.71 -1.04 115.64 117.01 3k4i s THR 116 Ca 0.00 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.79 3k4i s THR 116 Cb 0.00 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.93 3k4i s THR 116 CO 0.00 0.22 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.27 3k4i s VAL 117 N 0.51 1.85 -0.11 3.82 1.01 0.40 -0.68 120.40 127.19 3k4i s VAL 117 Ca -0.07 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3k4i s VAL 117 Cb -0.11 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.64 3k4i s VAL 117 CO 0.00 0.51 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 3k4i s ILE 118 N 0.87 1.29 -1.29 2.22 1.01 0.36 -0.30 121.20 125.36 3k4i s ILE 118 Ca -0.07 -0.49 -0.16 0.00 0.00 0.00 0.00 60.65 59.93 3k4i s ILE 118 Cb -0.15 -1.22 0.09 0.00 0.01 0.00 0.00 42.46 41.19 3k4i s ILE 118 CO -0.02 0.41 1.72 -0.67 0.00 0.00 0.00 174.94 176.37 3k4i n ASP 119 N 4.54 4.92 0.00 3.58 2.03 0.28 -3.59 116.55 128.31 3k4i n ASP 119 Ca -0.17 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.21 3k4i n ASP 119 Cb 0.51 -1.69 0.00 0.00 -0.72 0.00 0.00 41.12 39.21 3k4i n ASP 119 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k4i n GLY 120 N 4.91 0.14 3.33 0.27 0.00 -1.26 -0.91 105.19 111.67 3k4i n GLY 120 Ca 0.46 -1.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 3k4i n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k4i s VAL 121 N -3.76 1.15 0.19 1.61 -7.23 -1.23 -0.55 120.40 110.58 3k4i s VAL 121 Ca 0.00 -2.06 0.08 0.00 -1.81 0.00 0.00 61.98 58.19 3k4i s VAL 121 Cb 0.00 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 3k4i s VAL 121 CO 0.00 -0.40 -0.16 0.00 -0.31 0.00 0.00 175.10 174.23 3k4i s ALA 122 N -3.34 2.00 0.48 1.32 0.00 -1.03 -2.40 121.76 118.80 3k4i s ALA 122 Ca 0.26 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.65 3k4i s ALA 122 Cb 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.06 3k4i s ALA 122 CO 0.08 0.13 0.12 2.89 0.00 0.00 0.00 175.76 178.98 3k4i n ARG 123 N -0.12 0.82 -3.76 0.00 1.85 0.08 -1.42 116.66 114.10 3k4i n ARG 123 Ca -0.10 -3.36 -0.25 0.00 -1.00 0.00 0.00 57.85 53.14 3k4i n ARG 123 Cb 0.59 0.73 0.04 0.00 -1.05 0.00 0.00 32.46 32.77 3k4i n ARG 123 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3k4i n ASP 124 N -1.47 -3.30 0.04 2.89 8.00 -1.26 -4.29 116.55 117.17 3k4i n ASP 124 Ca -0.14 -0.76 0.02 0.00 0.71 0.00 0.00 54.79 54.62 3k4i n ASP 124 Cb 0.59 -4.18 0.36 0.00 -0.02 0.00 0.00 41.12 37.88 3k4i n ASP 124 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3k4i h ILE 125 N -2.06 1.16 -0.64 0.53 1.08 -1.91 -1.05 117.51 114.63 3k4i h ILE 125 Ca -0.59 -0.62 -0.09 0.00 -0.39 0.00 0.00 64.86 63.17 3k4i h ILE 125 Cb 1.37 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 36.01 3k4i h ILE 125 CO 0.60 0.21 0.07 0.44 -0.69 0.00 0.00 178.15 178.78 3k4i h ASP 126 N 0.42 1.05 -0.44 1.72 3.32 -1.99 0.10 116.42 120.60 3k4i h ASP 126 Ca 0.10 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.80 3k4i h ASP 126 Cb 0.24 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3k4i h ASP 126 CO 0.00 1.06 0.01 0.74 -1.72 0.00 0.00 179.24 179.34 3k4i h THR 127 N 1.00 1.26 -0.59 0.35 2.02 -1.75 -1.17 112.91 114.02 3k4i h THR 127 Ca 0.19 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 3k4i h THR 127 Cb 0.48 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 3k4i h THR 127 CO 0.02 0.35 0.28 0.58 0.37 0.00 0.00 175.52 177.12 3k4i h VAL 128 N 0.61 1.21 -0.66 3.16 2.07 -0.84 0.17 116.25 121.97 3k4i h VAL 128 Ca 0.13 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3k4i h VAL 128 Cb 0.48 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3k4i h VAL 128 CO 0.02 0.24 0.39 0.40 0.02 0.00 0.00 177.57 178.64 3k4i h ILE 129 N 0.80 1.20 -0.24 4.57 2.04 -0.74 -1.96 117.51 123.18 3k4i h ILE 129 Ca 0.20 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 3k4i h ILE 129 Cb 0.13 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3k4i h ILE 129 CO -0.02 0.21 -0.25 -1.13 0.00 0.00 0.00 178.15 176.95 3k4i h ASN 130 N 0.90 0.46 0.42 1.72 -1.24 -0.64 -1.48 115.58 115.72 3k4i h ASN 130 Ca 0.24 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.09 3k4i h ASN 130 Cb -0.01 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 38.92 3k4i h ASN 130 CO -0.04 0.71 -0.00 0.00 -1.29 0.00 0.00 177.43 176.81 3k4i n ASN 132 N -1.21 -3.25 -4.72 0.00 4.05 -0.56 -4.95 115.26 104.62 3k4i n ASN 132 Ca 0.17 -0.86 -0.39 0.00 0.45 0.00 0.00 54.58 53.95 3k4i n ASN 132 Cb 0.21 -3.57 -0.05 0.00 1.23 0.00 0.00 39.78 37.59 3k4i n ASN 132 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3k4i s TYR 133 N -3.45 3.54 -0.64 1.20 5.04 -0.81 -4.99 117.35 117.22 3k4i s TYR 133 Ca 0.47 1.03 -0.27 0.00 -2.44 0.00 0.00 57.07 55.86 3k4i s TYR 133 Cb -0.24 -2.65 -0.01 0.00 0.35 0.00 0.00 41.96 39.41 3k4i s TYR 133 CO 0.86 0.14 1.69 -2.14 -1.34 0.00 0.00 175.55 174.75 3k4i s PRO 134 N 0.69 2.80 -0.11 4.97 0.02 -1.26 -4.79 135.00 137.31 3k4i s PRO 134 Ca 0.30 0.38 0.01 0.00 0.02 0.00 0.00 61.00 61.71 3k4i s PRO 134 Cb -0.16 -4.32 -0.01 0.00 0.02 0.00 0.00 34.50 30.02 3k4i s PRO 134 CO 0.13 -2.55 -0.15 -1.17 -0.33 0.00 0.00 177.00 172.93 3k4i s LEU 135 N 8.07 2.59 -0.06 -5.54 2.96 -1.26 -1.73 118.68 123.71 3k4i s LEU 135 Ca 0.58 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 3k4i s LEU 135 Cb -0.11 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.03 3k4i s LEU 135 CO 0.19 0.19 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.95 3k4i s PHE 136 N 0.21 1.26 0.40 5.38 0.08 0.14 -0.93 117.98 124.52 3k4i s PHE 136 Ca -0.10 -0.45 -0.15 0.00 0.12 0.00 0.00 56.93 56.36 3k4i s PHE 136 Cb -0.16 -0.96 0.06 0.00 -0.57 0.00 0.00 43.02 41.39 3k4i s PHE 136 CO 0.06 -0.26 0.79 -1.54 -0.10 0.00 0.00 175.22 174.16 3k4i s SER 137 N 0.78 0.07 0.00 1.36 1.04 -0.44 -0.49 113.70 116.03 3k4i s SER 137 Ca -0.13 -1.22 0.12 0.00 0.48 0.00 0.00 55.95 55.20 3k4i s SER 137 Cb -0.15 0.86 0.38 0.00 0.10 0.00 0.00 66.02 67.20 3k4i s SER 137 CO 0.02 -1.72 1.30 0.54 0.98 0.00 0.00 173.24 174.36 3k4i n ARG 138 N -0.54 1.74 -0.64 4.02 1.74 0.29 -0.63 116.66 122.64 3k4i n ARG 138 Ca -0.09 -1.14 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 3k4i n ARG 138 Cb 0.60 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 3k4i n ARG 138 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k4i n GLY 139 N 1.03 0.73 3.02 -0.13 0.00 -1.25 -4.94 105.19 103.66 3k4i n GLY 139 Ca 0.12 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 3k4i n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k4i s ARG 140 N -2.00 0.96 0.00 1.61 0.52 -1.26 -2.46 118.95 116.32 3k4i s ARG 140 Ca 0.00 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 3k4i s ARG 140 Cb 0.00 -0.91 0.00 0.00 0.52 0.00 0.00 34.95 34.56 3k4i s ARG 140 CO 0.00 0.16 0.00 0.34 0.02 0.00 0.00 175.30 175.82 3k4i n PHE 141 N 3.11 0.00 -1.19 -0.53 -0.00 -0.51 -4.91 117.46 113.44 3k4i n PHE 141 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.28 3k4i n PHE 141 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.03 3k4i n PHE 141 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3k4i n GLN 143 N 0.00 0.00 -1.46 -4.13 6.02 -1.26 -3.65 117.38 112.90 3k4i n GLN 143 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 3k4i n GLN 143 Cb 0.00 -0.43 0.09 0.00 1.02 0.00 0.00 30.24 30.91 3k4i n GLN 143 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3k4i s SER 144 N -1.31 4.26 0.50 1.08 0.15 -1.26 -1.20 113.70 115.92 3k4i s SER 144 Ca 0.00 2.33 0.22 0.00 0.70 0.00 0.00 55.95 59.21 3k4i s SER 144 Cb 0.00 -2.59 1.31 0.00 -1.71 0.00 0.00 66.02 63.04 3k4i s SER 144 CO 0.00 -2.22 2.06 0.00 1.20 0.00 0.00 173.24 174.29 3k4i h ALA 145 N -0.27 1.48 -1.91 5.45 0.00 -1.89 -3.41 119.26 118.72 3k4i h ALA 145 Ca -0.48 -0.12 -0.65 0.00 0.00 0.00 0.00 54.91 53.67 3k4i h ALA 145 Cb 1.29 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 19.10 3k4i h ALA 145 CO 0.50 0.16 0.80 1.17 0.00 0.00 0.00 179.25 181.89 3k4i n LYS 146 N -3.94 1.69 -1.42 0.00 4.81 -1.26 -0.64 118.16 117.39 3k4i n LYS 146 Ca -0.02 0.61 -0.14 0.00 -0.87 0.00 0.00 58.31 57.89 3k4i n LYS 146 Cb 0.22 -2.35 -0.06 0.00 0.02 0.00 0.00 35.03 32.86 3k4i n LYS 146 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4i n ASN 147 N 4.37 -5.35 0.00 3.14 5.03 -1.26 -4.74 115.26 116.45 3k4i n ASN 147 Ca 0.21 0.36 0.00 0.00 0.87 0.00 0.00 54.58 56.02 3k4i n ASN 147 Cb 0.23 -4.13 0.00 0.00 -1.02 0.00 0.00 39.78 34.86 3k4i n ASN 147 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3k4i n ARG 148 N -1.77 0.00 -3.95 3.52 1.74 0.19 -4.92 116.66 111.47 3k4i n ARG 148 Ca -0.14 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.84 3k4i n ARG 148 Cb 0.58 -0.68 -0.10 0.00 -1.02 0.00 0.00 32.46 31.23 3k4i n ARG 148 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3k4i s THR 149 N -1.86 0.11 0.06 0.55 -1.32 -0.15 -3.37 115.64 109.67 3k4i s THR 149 Ca 0.00 -0.95 0.03 0.00 -1.21 0.00 0.00 61.69 59.56 3k4i s THR 149 Cb 0.00 -0.48 -0.03 0.00 -1.51 0.00 0.00 72.50 70.48 3k4i s THR 149 CO 0.00 -0.52 -0.10 0.00 -2.21 0.00 0.00 174.62 171.79 3k4i s GLN 150 N -1.78 0.68 0.14 7.08 -2.07 0.73 -4.60 119.66 119.84 3k4i s GLN 150 Ca -0.12 -0.93 -0.31 0.00 -1.82 0.00 0.00 55.36 52.17 3k4i s GLN 150 Cb -0.07 -0.45 -0.10 0.00 -1.09 0.00 0.00 33.01 31.30 3k4i s GLN 150 CO -0.01 0.08 1.67 -1.17 -1.32 0.00 0.00 175.29 174.54 3k4i s LEU 151 N -1.92 4.37 -0.24 2.60 2.96 -1.26 -0.17 118.68 125.02 3k4i s LEU 151 Ca -0.03 2.67 -0.17 0.00 -0.22 0.00 0.00 54.13 56.38 3k4i s LEU 151 Cb -0.07 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 42.90 3k4i s LEU 151 CO 0.00 -0.91 -0.16 1.17 -1.32 0.00 0.00 176.35 175.14 3k4i n LYS 152 N 4.69 0.57 -3.52 1.98 4.81 0.90 -4.83 118.16 122.76 3k4i n LYS 152 Ca 0.15 0.38 -0.09 0.00 -0.87 0.00 0.00 58.31 57.88 3k4i n LYS 152 Cb 0.38 -1.58 -0.03 0.00 0.02 0.00 0.00 35.03 33.82 3k4i n LYS 152 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3k4i s ALA 153 N -2.51 -1.84 0.27 3.14 0.00 -1.05 -5.03 121.76 114.73 3k4i s ALA 153 Ca -0.33 1.14 0.12 0.00 0.00 0.00 0.00 51.96 52.89 3k4i s ALA 153 Cb 0.10 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 3k4i s ALA 153 CO 0.50 -0.60 -0.20 0.14 0.00 0.00 0.00 175.76 175.61 3k4i s VAL 154 N -2.62 2.51 -1.43 0.00 -7.23 -1.26 -0.85 120.40 109.52 3k4i s VAL 154 Ca 0.03 -2.32 -0.09 0.00 -1.81 0.00 0.00 61.98 57.79 3k4i s VAL 154 Cb -0.01 -2.30 0.05 0.00 0.56 0.00 0.00 36.38 34.68 3k4i s VAL 154 CO -0.06 -0.35 0.96 0.00 -0.31 0.00 0.00 175.10 175.33 3k4i n GLN 155 N -0.50 -5.93 -4.36 4.82 1.13 -0.02 -4.99 117.38 107.54 3k4i n GLN 155 Ca -0.06 0.66 -0.23 0.00 -1.94 0.00 0.00 57.00 55.43 3k4i n GLN 155 Cb 0.59 -5.52 -0.08 0.00 0.11 0.00 0.00 30.24 25.35 3k4i n GLN 155 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3k4i s VAL 156 N -3.40 3.06 0.38 5.09 -7.23 -1.26 -4.85 120.40 112.19 3k4i s VAL 156 Ca 0.45 -2.09 -0.27 0.00 -1.81 0.00 0.00 61.98 58.25 3k4i s VAL 156 Cb -0.22 -2.65 -0.10 0.00 0.56 0.00 0.00 36.38 33.98 3k4i s VAL 156 CO 0.80 -0.37 1.35 -2.84 -0.31 0.00 0.00 175.10 173.72 3k4i s PRO 157 N -3.62 4.09 0.23 4.82 0.02 -1.26 -4.51 135.00 134.78 3k4i s PRO 157 Ca 0.31 2.27 0.10 0.00 0.02 0.00 0.00 61.00 63.71 3k4i s PRO 157 Cb -0.06 -2.89 -0.04 0.00 0.02 0.00 0.00 34.50 31.53 3k4i s PRO 157 CO 0.18 -0.43 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.80 3k4i s LEU 158 N -2.19 2.88 -0.17 -5.54 1.43 -0.59 -4.95 118.68 109.55 3k4i s LEU 158 Ca 0.54 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3k4i s LEU 158 Cb -0.41 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.37 3k4i s LEU 158 CO 0.53 0.06 -0.09 -0.69 0.23 0.00 0.00 176.35 176.39 3k4i s VAL 159 N -2.08 1.41 -0.11 -1.59 1.01 -1.26 -0.67 120.40 117.11 3k4i s VAL 159 Ca 0.28 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3k4i s VAL 159 Cb -0.07 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.84 3k4i s VAL 159 CO 0.16 0.21 -0.10 -0.63 0.00 0.00 0.00 175.10 174.73 3k4i s ILE 160 N 1.51 1.20 -1.55 2.22 1.01 -0.51 -4.80 121.20 120.28 3k4i s ILE 160 Ca 0.01 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 3k4i s ILE 160 Cb -0.15 -1.17 0.09 0.00 0.01 0.00 0.00 42.46 41.24 3k4i s ILE 160 CO -0.08 0.39 0.98 0.47 0.00 0.00 0.00 174.94 176.70 3k4i n ASP 161 N 4.67 -4.76 0.00 3.58 10.43 -1.26 -1.19 116.55 128.02 3k4i n ASP 161 Ca -0.16 -0.80 0.00 0.00 2.57 0.00 0.00 54.79 56.41 3k4i n ASP 161 Cb 0.50 -3.80 0.00 0.00 1.84 0.00 0.00 41.12 39.66 3k4i n ASP 161 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3k4i n GLY 162 N -1.67 0.60 3.62 0.44 0.00 -1.26 -4.95 105.19 101.96 3k4i n GLY 162 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3k4i n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 163 N -2.71 4.91 -0.04 -0.61 -1.09 -0.34 -5.08 121.20 116.24 3k4i s ILE 163 Ca 0.00 0.02 -0.22 0.00 -2.23 0.00 0.00 60.65 58.22 3k4i s ILE 163 Cb 0.00 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 3k4i s ILE 163 CO 0.00 0.41 0.65 -0.89 -1.23 0.00 0.00 174.94 173.88 3k4i s THR 164 N 0.77 4.98 -0.21 2.92 2.01 -1.26 -1.43 115.64 123.43 3k4i s THR 164 Ca 0.05 1.35 -0.03 0.00 0.31 0.00 0.00 61.69 63.37 3k4i s THR 164 Cb -0.13 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.38 3k4i s THR 164 CO 0.02 0.33 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.58 3k4i s ILE 165 N 0.36 3.20 -0.02 1.82 1.01 0.16 -4.96 121.20 122.77 3k4i s ILE 165 Ca 0.34 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 3k4i s ILE 165 Cb -0.18 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3k4i s ILE 165 CO 0.18 0.45 0.23 -1.10 0.00 0.00 0.00 174.94 174.69 3k4i s GLN 166 N 1.32 3.52 0.34 2.79 -1.52 -1.26 -1.54 119.66 123.31 3k4i s GLN 166 Ca 0.04 -0.15 -0.29 0.00 -1.95 0.00 0.00 55.36 53.01 3k4i s GLN 166 Cb -0.14 -3.10 -0.12 0.00 -0.22 0.00 0.00 33.01 29.43 3k4i s GLN 166 CO -0.03 0.68 1.42 -2.30 -0.25 0.00 0.00 175.29 174.80 3k4i n PRO 167 N 1.21 2.39 0.00 2.91 -0.02 -1.26 -1.52 135.00 138.70 3k4i n PRO 167 Ca -0.12 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3k4i n PRO 167 Cb 0.53 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3k4i n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4i n GLY 168 N 1.02 1.38 3.74 -1.23 0.00 -0.24 -4.97 105.19 104.89 3k4i n GLY 168 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3k4i n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k4i s ASP 169 N -2.04 4.50 0.79 1.61 1.01 -0.58 -4.56 116.67 117.41 3k4i s ASP 169 Ca 0.00 2.13 -0.04 0.00 0.71 0.00 0.00 52.55 55.35 3k4i s ASP 169 Cb 0.00 -2.56 0.16 0.00 1.01 0.00 0.00 42.92 41.53 3k4i s ASP 169 CO 0.00 -2.04 1.06 -0.11 0.21 0.00 0.00 175.17 174.28 3k4i n LEU 170 N -2.82 0.00 0.00 1.23 7.94 0.05 -0.26 117.00 123.14 3k4i n LEU 170 Ca 0.11 -1.95 0.00 0.00 -1.11 0.00 0.00 56.01 53.06 3k4i n LEU 170 Cb 0.51 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 43.75 3k4i n LEU 170 CO 0.48 -1.08 0.00 0.52 -1.11 0.00 0.00 177.39 176.21 3k4i n VAL 172 N -3.05 0.00 -4.25 1.96 0.31 -0.83 -0.35 118.33 112.13 3k4i n VAL 172 Ca 0.16 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.32 3k4i n VAL 172 Cb 0.58 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.38 3k4i n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k4i n ASP 174 N 2.33 0.00 0.31 0.00 5.68 -0.19 -1.29 116.55 123.38 3k4i n ASP 174 Ca -0.16 -0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.30 3k4i n ASP 174 Cb 0.56 0.00 0.98 0.00 -1.14 0.00 0.00 41.12 41.53 3k4i n ASP 174 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3k4i h GLY 175 N 0.00 0.00 0.74 6.12 0.00 -1.97 -0.64 103.07 107.33 3k4i h GLY 175 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k4i h GLY 175 CO 0.00 0.00 -0.28 1.44 0.00 0.00 0.00 176.54 177.70 3k4i n SER 176 N -3.52 0.67 0.00 0.19 7.64 -1.26 -4.64 113.62 112.70 3k4i n SER 176 Ca -0.03 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.33 3k4i n SER 176 Cb 0.11 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3k4i n SER 176 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4i n GLY 177 N 1.39 0.41 3.29 0.23 0.00 -0.25 -5.00 105.19 105.27 3k4i n GLY 177 Ca 0.10 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 3k4i n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4i s VAL 179 N -0.24 1.90 -0.27 0.00 1.01 -0.05 -1.50 120.40 121.26 3k4i s VAL 179 Ca -0.01 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 3k4i s VAL 179 Cb -0.13 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3k4i s VAL 179 CO 0.03 0.53 0.14 -0.69 0.00 0.00 0.00 175.10 175.11 3k4i s VAL 180 N -0.09 4.86 -0.29 2.92 1.01 0.45 -1.96 120.40 127.31 3k4i s VAL 180 Ca -0.04 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 3k4i s VAL 180 Cb -0.13 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.96 3k4i s VAL 180 CO 0.04 0.28 0.04 -0.69 0.00 0.00 0.00 175.10 174.77 3k4i s VAL 181 N 1.69 3.62 0.26 2.92 1.01 0.53 -4.51 120.40 125.92 3k4i s VAL 181 Ca 0.07 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 60.90 3k4i s VAL 181 Cb -0.16 -2.88 -0.11 0.00 0.00 0.00 0.00 36.38 33.23 3k4i s VAL 181 CO 0.08 0.09 1.64 -2.84 0.00 0.00 0.00 175.10 174.06 3k4i s PRO 182 N 1.44 4.13 0.41 2.72 0.02 -1.26 -0.77 135.00 141.69 3k4i s PRO 182 Ca 0.01 2.57 0.12 0.00 0.02 0.00 0.00 61.00 63.73 3k4i s PRO 182 Cb -0.17 -3.05 0.96 0.00 0.02 0.00 0.00 34.50 32.26 3k4i s PRO 182 CO 0.00 -0.67 1.97 -0.56 -0.33 0.00 0.00 177.00 177.41 3k4i h GLN 183 N 5.64 0.48 0.00 5.54 3.07 -1.91 0.03 115.11 127.97 3k4i h GLN 183 Ca -0.45 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.25 3k4i h GLN 183 Cb 1.21 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 28.66 3k4i h GLN 183 CO 0.86 0.32 -0.06 1.96 0.09 0.00 0.00 178.83 182.00 3k4i h GLN 184 N 0.49 0.00 -0.17 0.06 4.20 -1.87 -2.73 115.11 115.08 3k4i h GLN 184 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3k4i h GLN 184 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3k4i h GLN 184 CO -0.09 0.06 0.00 1.28 -0.67 0.00 0.00 178.83 179.41 3k4i n LEU 185 N -3.23 2.78 -0.11 1.46 4.77 -0.06 -4.76 117.00 117.84 3k4i n LEU 185 Ca -0.00 -1.28 -0.09 0.00 -0.03 0.00 0.00 56.01 54.61 3k4i n LEU 185 Cb 0.28 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 3k4i n LEU 185 CO 0.28 0.56 0.98 0.00 -1.33 0.00 0.00 177.39 177.88 3k4i h ALA 186 N 3.46 0.46 -0.62 -1.18 0.00 -1.07 0.31 119.26 120.62 3k4i h ALA 186 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3k4i h ALA 186 Cb 0.78 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3k4i h ALA 186 CO 0.00 -0.03 0.24 0.00 0.00 0.00 0.00 179.25 179.46 3k4i h ALA 187 N 1.08 0.81 -0.24 0.00 0.00 -1.86 -0.78 119.26 118.27 3k4i h ALA 187 Ca 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k4i h ALA 187 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3k4i h ALA 187 CO -0.02 0.44 0.10 1.49 0.00 0.00 0.00 179.25 181.26 3k4i h GLU 188 N 0.87 0.36 -0.73 0.00 4.81 -1.76 -1.86 114.58 116.28 3k4i h GLU 188 Ca 0.21 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3k4i h GLU 188 Cb 0.22 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 3k4i h GLU 188 CO -0.01 0.39 0.39 0.28 -0.73 0.00 0.00 179.01 179.33 3k4i h VAL 189 N 0.25 1.22 -0.46 0.32 2.07 -0.72 -0.89 116.25 118.05 3k4i h VAL 189 Ca 0.08 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3k4i h VAL 189 Cb 0.16 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3k4i h VAL 189 CO -0.01 0.25 0.16 0.58 0.02 0.00 0.00 177.57 178.57 3k4i h VAL 190 N 1.00 1.22 -0.54 2.57 2.07 -1.01 0.14 116.25 121.71 3k4i h VAL 190 Ca 0.26 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3k4i h VAL 190 Cb 0.04 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3k4i h VAL 190 CO -0.04 0.26 0.27 0.25 0.02 0.00 0.00 177.57 178.33 3k4i h LEU 191 N 0.60 0.69 -0.71 2.57 5.85 -0.88 -1.27 115.31 122.16 3k4i h LEU 191 Ca 0.15 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 3k4i h LEU 191 Cb 0.24 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3k4i h LEU 191 CO -0.01 0.61 0.07 0.03 -0.34 0.00 0.00 178.44 178.81 3k4i h ARG 192 N 0.72 1.07 -0.86 1.25 3.08 -0.98 -2.27 114.38 116.40 3k4i h ARG 192 Ca 0.19 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3k4i h ARG 192 Cb 0.09 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3k4i h ARG 192 CO -0.03 1.00 0.44 0.00 -1.07 0.00 0.00 179.97 180.31 3k4i h ALA 193 N 1.08 1.16 -0.84 0.04 0.00 -0.31 0.15 119.26 120.53 3k4i h ALA 193 Ca 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3k4i h ALA 193 Cb 0.47 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3k4i h ALA 193 CO 0.02 0.66 0.41 -0.09 0.00 0.00 0.00 179.25 180.24 3k4i h ARG 194 N 1.22 1.20 -0.27 0.00 2.43 -1.02 -1.69 114.38 116.26 3k4i h ARG 194 Ca 0.30 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3k4i h ARG 194 Cb 0.07 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3k4i h ARG 194 CO -0.04 0.92 0.15 0.00 -1.51 0.00 0.00 179.97 179.49 3k4i h ALA 195 N 1.22 0.34 -0.55 2.80 0.00 -0.78 -1.68 119.26 120.62 3k4i h ALA 195 Ca 0.29 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.24 3k4i h ALA 195 Cb 0.11 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 3k4i h ALA 195 CO -0.04 -0.13 0.09 0.28 0.00 0.00 0.00 179.25 179.45 3k4i h VAL 196 N 0.32 0.66 -0.32 0.00 2.07 -0.61 -1.32 116.25 117.05 3k4i h VAL 196 Ca 0.09 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.42 3k4i h VAL 196 Cb 0.06 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3k4i h VAL 196 CO -0.02 0.04 -0.29 -0.33 0.02 0.00 0.00 177.57 177.00 3k4i h GLU 197 N 0.22 0.66 -0.25 1.57 5.08 -1.02 -1.05 114.58 119.78 3k4i h GLU 197 Ca 0.28 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3k4i h GLU 197 Cb 0.41 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3k4i h GLU 197 CO -0.38 0.87 -0.01 1.96 -1.00 0.00 0.00 179.01 180.45 3k4i h GLN 198 N 0.56 0.45 -0.44 2.33 4.20 -1.08 0.15 115.11 121.28 3k4i h GLN 198 Ca 0.07 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 58.69 3k4i h GLN 198 Cb 0.78 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 3k4i h GLN 198 CO 0.06 0.63 0.17 1.15 -0.67 0.00 0.00 178.83 180.17 3k4i h THR 199 N 0.22 0.88 -0.32 -0.54 2.02 -1.11 -2.67 112.91 111.41 3k4i h THR 199 Ca 0.07 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 3k4i h THR 199 Cb 0.43 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3k4i h THR 199 CO 0.01 0.06 -0.19 -0.33 0.37 0.00 0.00 175.52 175.45 3k4i h GLU 200 N 0.35 0.58 -0.75 6.66 5.08 -0.98 -2.65 114.58 122.87 3k4i h GLU 200 Ca 0.20 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3k4i h GLU 200 Cb 0.18 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3k4i h GLU 200 CO -0.20 0.74 0.47 -0.09 -1.00 0.00 0.00 179.01 178.94 3k4i h ARG 201 N 0.52 0.87 -0.42 2.33 2.43 -0.41 0.78 114.38 120.49 3k4i h ARG 201 Ca 0.08 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3k4i h ARG 201 Cb 0.62 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3k4i h ARG 201 CO 0.04 0.57 -0.07 0.00 -1.51 0.00 0.00 179.97 179.00 3k4i h ARG 202 N 0.89 0.71 -0.15 0.20 3.08 -1.19 -1.35 114.38 116.58 3k4i h ARG 202 Ca 0.31 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 3k4i h ARG 202 Cb 0.07 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3k4i h ARG 202 CO -0.13 0.78 -0.11 0.82 -1.07 0.00 0.00 179.97 180.25 3k4i h ILE 203 N 0.66 1.33 -0.80 2.04 2.04 -1.09 -2.38 117.51 119.31 3k4i h ILE 203 Ca 0.12 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 3k4i h ILE 203 Cb 0.52 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 3k4i h ILE 203 CO 0.03 0.36 0.44 0.40 0.00 0.00 0.00 178.15 179.38 3k4i h ILE 204 N -0.02 1.24 -0.29 -0.67 2.04 -0.70 -0.69 117.51 118.41 3k4i h ILE 204 Ca 0.03 -0.58 -0.16 0.00 1.00 0.00 0.00 64.86 65.15 3k4i h ILE 204 Cb 0.62 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3k4i h ILE 204 CO 0.03 0.26 -0.46 -0.33 0.00 0.00 0.00 178.15 177.66 3k4i h GLU 205 N 1.12 0.75 -0.34 2.37 5.08 -1.24 0.61 114.58 122.93 3k4i h GLU 205 Ca 0.28 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3k4i h GLU 205 Cb 0.03 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3k4i h GLU 205 CO -0.05 1.04 0.22 0.00 -1.00 0.00 0.00 179.01 179.23 3k4i h ALA 206 N 0.89 0.44 -0.43 3.43 0.00 -1.08 -2.83 119.26 119.68 3k4i h ALA 206 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k4i h ALA 206 Cb 1.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3k4i h ALA 206 CO 0.10 -0.09 0.27 0.82 0.00 0.00 0.00 179.25 180.35 3k4i h ILE 207 N 0.46 1.13 0.00 0.00 2.04 -0.89 -1.35 117.51 118.89 3k4i h ILE 207 Ca 0.12 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3k4i h ILE 207 Cb -0.03 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3k4i h ILE 207 CO -0.03 0.12 -0.14 0.77 0.00 0.00 0.00 178.15 178.88 3k4i h SER 208 N 0.58 0.00 -0.37 1.72 4.64 -0.80 -1.65 113.55 117.67 3k4i h SER 208 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3k4i h SER 208 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3k4i h SER 208 CO -0.03 0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 174.53 3k4i n SER 209 N -3.45 2.84 0.00 4.97 3.41 -1.08 -4.94 113.62 115.38 3k4i n SER 209 Ca -0.01 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 3k4i n SER 209 Cb 0.31 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3k4i n SER 209 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4i n GLY 210 N 1.37 1.32 3.82 5.00 0.00 -0.62 -5.09 105.19 110.99 3k4i n GLY 210 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3k4i n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k4i s SER 211 N -2.00 6.94 0.88 1.61 0.15 -0.52 -5.01 113.70 115.75 3k4i s SER 211 Ca 0.00 1.69 -0.11 0.00 0.70 0.00 0.00 55.95 58.23 3k4i s SER 211 Cb 0.00 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.89 3k4i s SER 211 CO 0.00 -0.35 1.11 0.28 1.20 0.00 0.00 173.24 175.48 3k4i s THR 212 N -2.17 2.57 0.23 6.45 -1.32 -1.26 -4.50 115.64 115.64 3k4i s THR 212 Ca 0.62 0.18 -0.05 0.00 -1.21 0.00 0.00 61.69 61.23 3k4i s THR 212 Cb -0.09 -2.42 0.12 0.00 -1.51 0.00 0.00 72.50 68.59 3k4i s THR 212 CO 0.13 -0.24 1.74 0.25 -2.21 0.00 0.00 174.62 174.29 3k4i h LEU 213 N -1.63 0.91 -0.01 9.08 7.12 -1.98 -1.73 115.31 127.07 3k4i h LEU 213 Ca -0.45 -0.21 0.03 0.00 0.13 0.00 0.00 57.88 57.38 3k4i h LEU 213 Cb 1.26 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 41.11 3k4i h LEU 213 CO 0.47 0.92 -0.25 -0.08 -0.13 0.00 0.00 178.44 179.38 3k4i h GLU 214 N 0.90 -0.36 -0.75 1.25 4.81 -2.00 -1.70 114.58 116.73 3k4i h GLU 214 Ca 0.18 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3k4i h GLU 214 Cb 0.41 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 3k4i h GLU 214 CO 0.01 -0.24 0.34 1.96 -0.73 0.00 0.00 179.01 180.35 3k4i h GLN 215 N -0.38 1.09 -0.24 1.92 4.20 -1.91 -3.02 115.11 116.76 3k4i h GLN 215 Ca 0.07 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 3k4i h GLN 215 Cb 0.47 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3k4i h GLN 215 CO -0.23 0.86 -0.15 0.00 -0.67 0.00 0.00 178.83 178.64 3k4i h ALA 216 N 1.29 1.30 0.00 3.87 0.00 -0.92 -3.49 119.26 121.31 3k4i h ALA 216 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k4i h ALA 216 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3k4i h ALA 216 CO -0.03 0.47 0.00 0.54 0.00 0.00 0.00 179.25 180.23