#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5u n ALA 6 N 0.00 0.00 -1.73 0.00 0.00 -1.26 -5.16 120.51 112.36 3i5u n ALA 6 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3i5u n ALA 6 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i5u n ALA 6 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i5u n HIS 7 N 0.00 2.70 -0.55 0.00 -0.00 -1.26 -4.93 115.22 111.18 3i5u n HIS 7 Ca 0.00 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.45 3i5u n HIS 7 Cb 0.00 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.29 3i5u n HIS 7 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 3i5u n ILE 8 N 2.26 0.00 0.00 3.57 -6.64 -1.26 -5.14 119.36 112.15 3i5u n ILE 8 Ca 0.10 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.08 3i5u n ILE 8 Cb 0.35 1.05 0.00 0.00 -1.44 0.00 0.00 39.64 39.61 3i5u n ILE 8 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3i5u n GLY 9 N 0.00 3.47 0.15 3.28 0.00 -1.26 -4.78 105.19 106.04 3i5u n GLY 9 Ca 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 3i5u n GLY 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i5u h LEU 10 N 0.00 -0.29 -1.47 0.99 5.85 -2.01 -0.33 115.31 118.04 3i5u h LEU 10 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3i5u h LEU 10 Cb 0.00 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3i5u h LEU 10 CO 0.00 -0.14 0.35 0.03 -0.34 0.00 0.00 178.44 178.34 3i5u h ARG 11 N -0.16 0.70 -0.34 1.25 3.08 -1.96 -1.61 114.38 115.34 3i5u h ARG 11 Ca 0.05 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 3i5u h ARG 11 Cb 0.22 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3i5u h ARG 11 CO -0.12 0.47 -0.34 0.00 -1.07 0.00 0.00 179.97 178.91 3i5u h ALA 12 N 1.66 0.77 0.00 0.04 0.00 -1.77 -2.44 119.26 117.53 3i5u h ALA 12 Ca 0.19 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3i5u h ALA 12 Cb -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3i5u h ALA 12 CO -0.04 0.65 -0.03 1.25 0.00 0.00 0.00 179.25 181.09 3i5u h LEU 13 N 0.63 0.00 -3.09 0.00 5.85 -0.16 -2.38 115.31 116.16 3i5u h LEU 13 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3i5u h LEU 13 Cb 0.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3i5u h LEU 13 CO 0.08 0.03 0.00 0.00 -0.34 0.00 0.00 178.44 178.20 3i5u n ALA 14 N -2.11 2.82 -1.86 1.25 0.00 -0.73 -5.01 120.51 114.88 3i5u n ALA 14 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 53.44 51.40 3i5u n ALA 14 Cb 0.30 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 3i5u n ALA 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i5u s ASP 15 N -1.15 6.52 -0.01 0.00 2.15 -0.90 -4.91 116.67 118.37 3i5u s ASP 15 Ca 0.42 2.71 0.10 0.00 0.43 0.00 0.00 52.55 56.22 3i5u s ASP 15 Cb 0.28 -2.60 -0.14 0.00 -0.30 0.00 0.00 42.92 40.16 3i5u s ASP 15 CO 0.20 -0.87 0.31 0.18 -0.17 0.00 0.00 175.17 174.82 3i5u n LEU 16 N 3.78 0.21 -0.22 -1.34 4.77 -1.26 -4.63 117.00 118.31 3i5u n LEU 16 Ca 0.14 -0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 55.82 3i5u n LEU 16 Cb 0.38 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3i5u n LEU 16 CO 0.62 0.05 0.96 0.00 -1.33 0.00 0.00 177.39 177.69 3i5u h ALA 17 N 1.15 0.81 0.32 -1.18 0.00 -1.98 -2.32 119.26 116.06 3i5u h ALA 17 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3i5u h ALA 17 Cb 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i5u h ALA 17 CO 0.00 0.47 -0.15 1.15 0.00 0.00 0.00 179.25 180.72 3i5u h THR 18 N 0.89 0.50 -0.82 0.00 2.02 -1.99 0.20 112.91 113.71 3i5u h THR 18 Ca 0.20 -0.76 0.09 0.00 0.77 0.00 0.00 66.41 66.72 3i5u h THR 18 Cb 0.28 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 3i5u h THR 18 CO -0.01 0.11 0.54 1.55 0.37 0.00 0.00 175.52 178.08 3i5u h PRO 19 N -0.94 0.77 -0.25 6.66 0.13 -1.82 0.52 132.00 137.07 3i5u h PRO 19 Ca -0.04 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.91 3i5u h PRO 19 Cb 0.51 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 3i5u h PRO 19 CO 0.07 0.51 -0.38 0.52 -0.23 0.00 0.00 178.00 178.49 3i5u h MET 20 N 0.79 0.58 -0.59 0.86 2.86 -1.43 -1.38 114.93 116.63 3i5u h MET 20 Ca 0.38 -0.29 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 3i5u h MET 20 Cb 0.41 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3i5u h MET 20 CO -0.15 0.87 -0.04 0.00 1.06 0.00 0.00 176.91 178.65 3i5u h ALA 21 N 1.10 0.79 -0.46 6.32 0.00 0.68 -0.29 119.26 127.41 3i5u h ALA 21 Ca 0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3i5u h ALA 21 Cb 0.88 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3i5u h ALA 21 CO 0.08 0.67 0.14 0.28 0.00 0.00 0.00 179.25 180.41 3i5u h VAL 22 N 0.96 1.23 -0.66 0.00 2.07 -0.77 -0.86 116.25 118.22 3i5u h VAL 22 Ca 0.16 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 3i5u h VAL 22 Cb 0.61 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3i5u h VAL 22 CO 0.04 0.27 0.27 0.03 0.02 0.00 0.00 177.57 178.20 3i5u h ARG 23 N 0.61 0.98 -0.62 1.57 3.08 -1.02 -0.40 114.38 118.57 3i5u h ARG 23 Ca 0.15 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3i5u h ARG 23 Cb 0.28 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3i5u h ARG 23 CO -0.00 0.82 0.08 0.28 -1.07 0.00 0.00 179.97 180.08 3i5u h VAL 24 N 0.93 1.26 -0.20 2.04 2.07 -0.84 0.11 116.25 121.61 3i5u h VAL 24 Ca 0.22 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3i5u h VAL 24 Cb 0.19 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3i5u h VAL 24 CO -0.02 0.38 0.09 0.00 0.02 0.00 0.00 177.57 178.04 3i5u h ALA 25 N 1.13 0.26 -0.20 1.67 0.00 -0.76 0.21 119.26 121.57 3i5u h ALA 25 Ca 0.19 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3i5u h ALA 25 Cb 0.44 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3i5u h ALA 25 CO 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 179.25 179.08 3i5u h ALA 26 N 0.95 0.16 -0.95 0.00 0.00 -0.78 0.13 119.26 118.77 3i5u h ALA 26 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i5u h ALA 26 Cb 0.13 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3i5u h ALA 26 CO -0.01 -0.44 0.58 1.15 0.00 0.00 0.00 179.25 180.53 3i5u h THR 27 N 0.05 1.26 -0.00 0.00 2.02 -0.64 -2.40 112.91 113.20 3i5u h THR 27 Ca 0.09 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3i5u h THR 27 Cb 0.12 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 3i5u h THR 27 CO -0.16 0.27 -0.03 0.18 0.37 0.00 0.00 175.52 176.15 3i5u n LEU 28 N -4.35 0.06 -1.35 2.58 4.77 0.70 -4.93 117.00 114.47 3i5u n LEU 28 Ca 0.11 0.34 -0.15 0.00 -0.03 0.00 0.00 56.01 56.28 3i5u n LEU 28 Cb 0.06 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 3i5u n LEU 28 CO 0.38 0.01 -0.16 0.54 -1.33 0.00 0.00 177.39 176.83 3i5u n ARG 29 N -1.36 -1.09 -0.24 3.23 3.00 -0.02 -4.75 116.66 115.43 3i5u n ARG 29 Ca 0.11 0.90 0.03 0.00 -0.01 0.00 0.00 57.85 58.88 3i5u n ARG 29 Cb 0.29 -5.11 0.13 0.00 0.00 0.00 0.00 32.46 27.77 3i5u n ARG 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3i5u h VAL 30 N 0.00 0.35 -0.66 1.55 2.07 -1.82 -0.42 116.25 117.33 3i5u h VAL 30 Ca -0.32 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.26 3i5u h VAL 30 Cb 1.08 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 3i5u h VAL 30 CO 0.43 0.01 0.30 0.00 0.02 0.00 0.00 177.57 178.34 3i5u h ALA 31 N 1.68 0.89 -0.16 1.67 0.00 -1.85 -1.13 119.26 120.35 3i5u h ALA 31 Ca 0.38 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.19 3i5u h ALA 31 Cb 0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3i5u h ALA 31 CO -0.66 -0.11 -0.56 -0.44 0.00 0.00 0.00 179.25 177.49 3i5u h ASP 32 N 0.52 0.55 -0.27 0.00 3.32 -1.41 -2.06 116.42 117.08 3i5u h ASP 32 Ca 0.33 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3i5u h ASP 32 Cb 0.36 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3i5u h ASP 32 CO -0.28 1.00 -0.07 0.45 -1.72 0.00 0.00 179.24 178.62 3i5u h HIS 33 N 0.38 0.70 -0.03 4.55 3.86 -0.63 -1.48 115.15 122.50 3i5u h HIS 33 Ca 0.01 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 3i5u h HIS 33 Cb 1.09 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 29.37 3i5u h HIS 33 CO 0.04 0.71 -0.00 0.82 0.86 0.00 0.00 177.93 180.35 3i5u h ILE 34 N 0.61 1.28 -0.07 2.45 2.04 -1.06 -0.75 117.51 122.01 3i5u h ILE 34 Ca 0.11 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.16 3i5u h ILE 34 Cb 0.48 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3i5u h ILE 34 CO 0.03 0.22 0.06 0.00 0.00 0.00 0.00 178.15 178.46 3i5u h ALA 35 N 0.67 1.74 -0.23 1.87 0.00 -1.20 -0.01 119.26 122.10 3i5u h ALA 35 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i5u h ALA 35 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i5u h ALA 35 CO 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.15 3i5u n ALA 36 N -2.39 2.99 -0.17 0.00 0.00 -0.57 -4.89 120.51 115.49 3i5u n ALA 36 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3i5u n ALA 36 Cb 0.16 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3i5u n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 37 N 0.31 1.28 3.53 0.00 0.00 -0.02 -5.02 105.19 105.27 3i5u n GLY 37 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3i5u n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i5u s HIS 38 N -2.68 2.98 -0.16 1.61 3.76 -0.32 -4.88 115.29 115.60 3i5u s HIS 38 Ca 0.00 0.07 0.04 0.00 -0.15 0.00 0.00 55.06 55.02 3i5u s HIS 38 Cb 0.00 -3.66 -0.04 0.00 1.11 0.00 0.00 32.58 29.99 3i5u s HIS 38 CO 0.00 -1.02 0.15 0.54 -0.85 0.00 0.00 174.74 173.57 3i5u n ARG 39 N 6.71 4.92 -3.95 1.40 1.74 -1.26 -3.30 116.66 122.91 3i5u n ARG 39 Ca 0.01 -0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.86 3i5u n ARG 39 Cb 0.48 -0.74 -0.02 0.00 -1.02 0.00 0.00 32.46 31.15 3i5u n ARG 39 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3i5u s THR 40 N -1.49 5.28 0.35 0.55 -4.23 -1.26 0.13 115.64 114.96 3i5u s THR 40 Ca 0.01 -0.88 0.05 0.00 -1.18 0.00 0.00 61.69 59.69 3i5u s THR 40 Cb 0.03 -3.82 0.29 0.00 1.34 0.00 0.00 72.50 70.34 3i5u s THR 40 CO 0.16 -0.26 1.94 0.00 -0.54 0.00 0.00 174.62 175.92 3i5u h ALA 41 N 1.47 1.69 -0.41 3.99 0.00 -1.95 -1.33 119.26 122.73 3i5u h ALA 41 Ca -0.51 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 3i5u h ALA 41 Cb 1.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3i5u h ALA 41 CO 0.63 0.17 0.03 0.00 0.00 0.00 0.00 179.25 180.09 3i5u h ALA 42 N 1.59 0.55 0.22 0.00 0.00 -1.94 -1.34 119.26 118.33 3i5u h ALA 42 Ca 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i5u h ALA 42 Cb 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i5u h ALA 42 CO -0.12 0.30 -0.11 0.93 0.00 0.00 0.00 179.25 180.26 3i5u h GLU 43 N 0.54 -0.28 -0.70 0.00 5.08 -1.78 -1.37 114.58 116.07 3i5u h GLU 43 Ca 0.12 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3i5u h GLU 43 Cb 0.44 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 3i5u h GLU 43 CO 0.02 0.03 0.38 0.82 -1.00 0.00 0.00 179.01 179.26 3i5u h ILE 44 N -0.62 0.93 -0.75 3.13 2.04 -1.31 0.49 117.51 121.43 3i5u h ILE 44 Ca -0.03 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3i5u h ILE 44 Cb 0.45 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3i5u h ILE 44 CO 0.05 0.12 0.31 0.00 0.00 0.00 0.00 178.15 178.63 3i5u h ALA 45 N 1.38 0.97 -0.49 1.87 0.00 -1.23 0.94 119.26 122.71 3i5u h ALA 45 Ca 0.32 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3i5u h ALA 45 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3i5u h ALA 45 CO -0.21 0.59 0.09 1.03 0.00 0.00 0.00 179.25 180.74 3i5u h SER 46 N 1.08 0.77 -0.09 0.00 0.87 -0.17 0.50 113.55 116.51 3i5u h SER 46 Ca 0.25 -0.26 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 3i5u h SER 46 Cb 0.20 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3i5u h SER 46 CO -0.02 0.83 -0.33 0.00 -0.53 0.00 0.00 176.83 176.78 3i5u h ALA 47 N 0.97 0.93 0.00 6.23 0.00 -0.67 -3.17 119.26 123.55 3i5u h ALA 47 Ca 0.15 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i5u h ALA 47 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i5u h ALA 47 CO 0.01 0.62 -0.78 0.00 0.00 0.00 0.00 179.25 179.10 3i5u n ALA 48 N -2.50 3.54 -2.34 0.00 0.00 0.30 -4.97 120.51 114.54 3i5u n ALA 48 Ca -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.01 3i5u n ALA 48 Cb 0.47 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.89 3i5u n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 49 N 1.43 0.41 3.80 0.00 0.00 0.16 -5.03 105.19 105.94 3i5u n GLY 49 Ca 0.04 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 3i5u n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5u s ALA 50 N -2.56 3.71 -0.17 4.61 0.00 0.04 -5.03 121.76 122.36 3i5u s ALA 50 Ca 0.05 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 49.91 3i5u s ALA 50 Cb -0.02 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 3i5u s ALA 50 CO 0.06 -0.03 1.26 -1.58 0.00 0.00 0.00 175.76 175.46 3i5u s HIS 51 N -2.41 2.85 0.08 0.00 5.65 -1.26 -4.58 115.29 115.63 3i5u s HIS 51 Ca 0.41 1.01 -0.21 0.00 0.25 0.00 0.00 55.06 56.52 3i5u s HIS 51 Cb -0.03 -3.51 -0.07 0.00 -1.18 0.00 0.00 32.58 27.78 3i5u s HIS 51 CO 0.25 -1.68 1.35 0.00 -0.65 0.00 0.00 174.74 174.00 3i5u h ALA 52 N 8.23 -0.60 -0.64 1.58 0.00 -1.91 0.41 119.26 126.33 3i5u h ALA 52 Ca -0.26 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.74 3i5u h ALA 52 Cb 1.10 0.98 -0.07 0.00 0.00 0.00 0.00 17.79 19.80 3i5u h ALA 52 CO 0.97 -0.78 0.27 -0.44 0.00 0.00 0.00 179.25 179.28 3i5u h ASP 53 N -0.25 0.30 0.15 0.00 3.32 -1.93 0.67 116.42 118.69 3i5u h ASP 53 Ca 0.05 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3i5u h ASP 53 Cb 0.38 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3i5u h ASP 53 CO -0.38 0.17 -0.07 0.28 -1.72 0.00 0.00 179.24 177.52 3i5u h SER 54 N 0.47 -0.18 -0.84 6.45 0.02 -1.83 -1.15 113.55 116.50 3i5u h SER 54 Ca 0.32 -0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.24 3i5u h SER 54 Cb 0.38 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.90 3i5u h SER 54 CO -0.30 0.01 0.50 0.25 -1.14 0.00 0.00 176.83 176.16 3i5u h LEU 55 N -0.36 0.75 -0.70 5.07 7.12 0.21 -0.44 115.31 126.96 3i5u h LEU 55 Ca -0.02 0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.05 3i5u h LEU 55 Cb 0.28 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.25 3i5u h LEU 55 CO 0.03 0.45 0.44 -0.78 -0.13 0.00 0.00 178.44 178.46 3i5u h ASP 56 N 0.87 0.73 0.14 1.25 3.58 -0.59 0.86 116.42 123.25 3i5u h ASP 56 Ca 0.39 -0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.77 3i5u h ASP 56 Cb 0.28 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 3i5u h ASP 56 CO -0.21 0.51 -0.23 0.03 -2.88 0.00 0.00 179.24 176.45 3i5u h ARG 57 N 0.87 0.18 -0.22 0.28 3.08 0.10 0.05 114.38 118.72 3i5u h ARG 57 Ca 0.28 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 3i5u h ARG 57 Cb 0.01 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3i5u h ARG 57 CO -0.10 0.41 -0.34 1.25 -1.07 0.00 0.00 179.97 180.11 3i5u h LEU 58 N 0.16 0.68 -0.34 3.04 5.85 -0.02 -2.67 115.31 122.02 3i5u h LEU 58 Ca 0.03 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 3i5u h LEU 58 Cb 0.50 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3i5u h LEU 58 CO 0.03 1.07 0.09 -0.07 -0.34 0.00 0.00 178.44 179.22 3i5u h LEU 59 N 0.31 0.50 -0.95 2.25 3.38 -0.48 -1.46 115.31 118.86 3i5u h LEU 59 Ca 0.02 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.86 3i5u h LEU 59 Cb 0.93 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 3i5u h LEU 59 CO 0.08 0.59 0.59 0.03 0.09 0.00 0.00 178.44 179.82 3i5u h ARG 60 N 0.39 0.98 -0.58 1.13 3.08 -1.01 0.95 114.38 119.31 3i5u h ARG 60 Ca 0.11 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3i5u h ARG 60 Cb 0.28 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3i5u h ARG 60 CO -0.00 0.65 0.24 1.25 -1.07 0.00 0.00 179.97 181.03 3i5u h HIS 61 N 1.01 0.89 0.00 3.04 2.76 -1.13 -2.52 115.15 119.20 3i5u h HIS 61 Ca 0.44 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.50 3i5u h HIS 61 Cb 0.32 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 3i5u h HIS 61 CO -0.02 0.71 -0.21 -0.07 -1.30 0.00 0.00 177.93 177.05 3i5u h LEU 62 N 0.81 0.00 -0.39 0.26 3.38 -0.05 -0.65 115.31 118.66 3i5u h LEU 62 Ca 0.20 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.98 3i5u h LEU 62 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i5u h LEU 62 CO -0.02 0.21 -0.72 -0.37 0.09 0.00 0.00 178.44 177.63 3i5u h VAL 63 N 0.00 1.37 -0.69 1.22 -1.51 -0.68 0.47 116.25 116.43 3i5u h VAL 63 Ca -0.00 -2.10 -0.05 0.00 -1.23 0.00 0.00 66.70 63.32 3i5u h VAL 63 Cb 0.79 2.08 -0.03 0.00 -2.13 0.00 0.00 31.29 32.00 3i5u h VAL 63 CO 0.03 0.64 0.24 0.00 -1.23 0.00 0.00 177.57 177.25 3i5u h ALA 64 N 0.91 0.90 0.00 5.19 0.00 -1.00 -1.73 119.26 123.52 3i5u h ALA 64 Ca -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3i5u h ALA 64 Cb 1.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3i5u h ALA 64 CO 0.13 0.55 -0.18 0.28 0.00 0.00 0.00 179.25 180.03 3i5u h VAL 65 N 0.99 0.68 0.00 0.00 2.07 -0.88 -3.47 116.25 115.65 3i5u h VAL 65 Ca 0.23 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3i5u h VAL 65 Cb 0.26 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3i5u h VAL 65 CO -0.01 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.36 3i5u n GLY 66 N -0.53 1.27 0.08 2.17 0.00 -0.48 -5.01 105.19 102.68 3i5u n GLY 66 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 3i5u n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i5u n LEU 67 N 0.00 0.38 -4.49 0.99 4.77 0.04 -4.38 117.00 114.30 3i5u n LEU 67 Ca 0.00 0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 55.91 3i5u n LEU 67 Cb 0.00 0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 3i5u n LEU 67 CO 0.00 0.24 -0.29 -0.36 -1.33 0.00 0.00 177.39 175.66 3i5u s PHE 68 N -2.89 2.12 0.08 -1.77 0.08 -1.16 -2.55 117.98 111.89 3i5u s PHE 68 Ca -0.07 -0.85 0.05 0.00 0.12 0.00 0.00 56.93 56.19 3i5u s PHE 68 Cb 0.09 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 3i5u s PHE 68 CO 0.84 0.17 -0.13 0.95 -0.10 0.00 0.00 175.22 176.94 3i5u s THR 69 N -3.10 1.10 -0.06 0.64 -4.23 0.63 -4.32 115.64 106.31 3i5u s THR 69 Ca 0.35 -1.40 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 3i5u s THR 69 Cb 0.08 -1.16 0.04 0.00 1.34 0.00 0.00 72.50 72.81 3i5u s THR 69 CO 0.16 -0.30 0.12 -0.60 -0.54 0.00 0.00 174.62 173.46 3i5u s ARG 70 N -2.00 0.06 0.45 3.99 3.52 -1.26 -0.88 118.95 122.84 3i5u s ARG 70 Ca 0.00 0.34 -0.00 0.00 -0.13 0.00 0.00 55.73 55.94 3i5u s ARG 70 Cb -0.08 -0.20 -0.00 0.00 -1.56 0.00 0.00 34.95 33.10 3i5u s ARG 70 CO 0.02 -0.18 0.68 0.16 -0.81 0.00 0.00 175.30 175.17 3i5u s ASP 71 N 1.22 5.84 0.33 -2.12 1.47 -0.71 -4.95 116.67 117.75 3i5u s ASP 71 Ca -0.08 0.32 0.16 0.00 1.18 0.00 0.00 52.55 54.13 3i5u s ASP 71 Cb -0.12 -1.56 0.89 0.00 -0.34 0.00 0.00 42.92 41.78 3i5u s ASP 71 CO -0.05 -0.70 1.43 0.61 0.68 0.00 0.00 175.17 177.14 3i5u n GLY 72 N -2.10 -0.71 1.12 2.12 0.00 -1.26 -0.98 105.19 103.38 3i5u n GLY 72 Ca 0.01 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.30 3i5u n GLY 72 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i5u n GLN 73 N -2.13 2.43 -0.70 1.61 1.13 -1.26 -4.93 117.38 113.52 3i5u n GLN 73 Ca -0.01 -2.19 0.00 0.00 -1.94 0.00 0.00 57.00 52.86 3i5u n GLN 73 Cb 0.22 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.07 3i5u n GLN 73 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i5u n GLY 74 N 1.48 0.59 3.59 1.08 0.00 -0.16 -5.04 105.19 106.74 3i5u n GLY 74 Ca 0.20 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 3i5u n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i5u s VAL 75 N -2.00 5.09 0.17 1.61 1.01 -1.25 -4.17 120.40 120.86 3i5u s VAL 75 Ca 0.00 0.61 -0.10 0.00 0.00 0.00 0.00 61.98 62.48 3i5u s VAL 75 Cb 0.00 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 3i5u s VAL 75 CO 0.00 0.02 0.50 -0.31 0.00 0.00 0.00 175.10 175.31 3i5u s TYR 76 N 2.25 3.51 0.10 5.22 1.51 0.34 -1.74 117.35 128.54 3i5u s TYR 76 Ca 0.18 0.87 -0.04 0.00 -1.01 0.00 0.00 57.07 57.08 3i5u s TYR 76 Cb -0.16 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.42 3i5u s TYR 76 CO 0.11 0.37 0.08 0.20 -1.11 0.00 0.00 175.55 175.20 3i5u s GLY 77 N -2.09 0.54 0.77 0.71 0.00 -0.06 -4.71 107.32 102.49 3i5u s GLY 77 Ca 0.42 -1.11 -0.09 0.00 0.00 0.00 0.00 44.72 43.93 3i5u s GLY 77 CO 0.20 -1.16 1.10 1.08 0.00 0.00 0.00 173.10 174.33 3i5u s LEU 78 N -2.95 2.76 0.42 0.66 1.02 -1.26 -0.27 118.68 119.06 3i5u s LEU 78 Ca 0.13 0.38 0.04 0.00 0.02 0.00 0.00 54.13 54.70 3i5u s LEU 78 Cb 0.07 -2.85 -0.04 0.00 0.02 0.00 0.00 46.19 43.38 3i5u s LEU 78 CO -0.05 -1.90 0.04 0.42 0.02 0.00 0.00 176.35 174.87 3i5u s THR 79 N -3.42 1.31 0.43 5.49 -4.23 -1.06 -4.55 115.64 109.61 3i5u s THR 79 Ca 0.64 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.32 3i5u s THR 79 Cb -0.09 -2.57 0.38 0.00 1.34 0.00 0.00 72.50 71.56 3i5u s THR 79 CO 0.47 0.00 1.88 -0.08 -0.54 0.00 0.00 174.62 176.35 3i5u h GLU 80 N 1.71 0.38 0.01 3.99 4.81 -1.90 -1.83 114.58 121.76 3i5u h GLU 80 Ca -0.42 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3i5u h GLU 80 Cb 1.27 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3i5u h GLU 80 CO 0.72 0.25 -0.01 0.35 -0.73 0.00 0.00 179.01 179.60 3i5u h PHE 81 N 0.40 -0.01 0.00 0.92 -0.00 -1.88 -3.30 116.94 113.06 3i5u h PHE 81 Ca 0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.41 3i5u h PHE 81 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.04 3i5u h PHE 81 CO -0.00 0.70 0.02 0.41 -0.00 0.00 0.00 178.31 179.43 3i5u n GLY 82 N 1.53 -0.17 0.20 2.40 0.00 -0.76 -1.44 105.19 106.95 3i5u n GLY 82 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 3i5u n GLY 82 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i5u h GLU 83 N 0.00 0.43 0.00 1.61 4.57 -1.45 -2.90 114.58 116.84 3i5u h GLU 83 Ca 0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3i5u h GLU 83 Cb 0.04 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3i5u h GLU 83 CO 0.00 0.83 0.01 1.04 -1.18 0.00 0.00 179.01 179.71 3i5u n GLN 84 N -3.97 0.08 0.12 1.92 6.02 -0.52 -1.01 117.38 120.03 3i5u n GLN 84 Ca -0.02 0.58 0.12 0.00 -0.01 0.00 0.00 57.00 57.67 3i5u n GLN 84 Cb 0.56 -1.78 0.15 0.00 1.02 0.00 0.00 30.24 30.19 3i5u n GLN 84 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3i5u h LEU 85 N 0.00 0.00 -9.76 1.08 3.38 -1.72 -3.37 115.31 104.92 3i5u h LEU 85 Ca 0.00 -0.06 -0.53 0.00 0.09 0.00 0.00 57.88 57.38 3i5u h LEU 85 Cb 0.02 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.84 3i5u h LEU 85 CO 0.00 0.03 0.85 -0.13 0.09 0.00 0.00 178.44 179.28 3i5u s ARG 86 N -3.23 4.18 0.37 1.13 0.52 -0.18 -4.71 118.95 117.04 3i5u s ARG 86 Ca 0.05 2.47 0.09 0.00 -0.52 0.00 0.00 55.73 57.81 3i5u s ARG 86 Cb 0.10 -3.07 0.74 0.00 0.52 0.00 0.00 34.95 33.24 3i5u s ARG 86 CO 0.71 -0.56 1.90 0.22 0.02 0.00 0.00 175.30 177.59 3i5u h ASP 87 N 5.16 0.26 0.01 0.23 1.82 -1.89 -1.88 116.42 120.13 3i5u h ASP 87 Ca -0.46 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 3i5u h ASP 87 Cb 1.22 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.16 3i5u h ASP 87 CO 0.80 0.42 -0.00 -0.90 -1.61 0.00 0.00 179.24 177.95 3i5u n ASP 88 N -4.26 0.30 -4.72 2.28 5.75 -1.26 -4.85 116.55 109.79 3i5u n ASP 88 Ca -0.00 -1.08 -0.37 0.00 -0.01 0.00 0.00 54.79 53.32 3i5u n ASP 88 Cb 0.28 -0.01 0.06 0.00 -1.03 0.00 0.00 41.12 40.42 3i5u n ASP 88 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 3i5u n HIS 89 N -0.77 1.90 -0.08 2.11 -0.00 -0.71 -4.93 115.22 112.75 3i5u n HIS 89 Ca 0.23 0.42 -0.03 0.00 0.46 0.00 0.00 57.72 58.80 3i5u n HIS 89 Cb 0.16 -2.28 0.20 0.00 -0.12 0.00 0.00 29.99 27.95 3i5u n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i5u h ALA 90 N 0.74 1.18 0.00 1.57 0.00 -1.90 -2.89 119.26 117.97 3i5u h ALA 90 Ca -0.51 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3i5u h ALA 90 Cb 1.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3i5u h ALA 90 CO 0.54 0.54 0.00 0.00 0.00 0.00 0.00 179.25 180.32 3i5u n ALA 91 N -2.47 1.88 -3.85 0.00 0.00 -1.26 -4.92 120.51 109.89 3i5u n ALA 91 Ca 0.02 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 3i5u n ALA 91 Cb 0.28 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.33 3i5u n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 92 N 0.46 -0.49 0.11 0.00 0.00 -1.09 -4.89 105.19 99.28 3i5u n GLY 92 Ca 0.03 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 3i5u n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5u h LYS 93 N -1.70 0.00 -0.44 1.61 1.57 -1.87 -3.37 116.57 112.37 3i5u h LYS 93 Ca -0.55 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.32 3i5u h LYS 93 Cb 1.36 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.59 3i5u h LYS 93 CO 0.67 0.66 -0.10 -0.09 -0.57 0.00 0.00 179.45 180.02 3i5u h ARG 94 N 0.00 0.00 -0.10 3.15 2.43 -1.85 -1.71 114.38 116.30 3i5u h ARG 94 Ca -0.03 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3i5u h ARG 94 Cb 1.56 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.10 3i5u h ARG 94 CO 0.09 0.00 0.08 1.57 -1.51 0.00 0.00 179.97 180.20 3i5u h LYS 95 N 0.00 0.00 0.00 0.20 2.10 -1.95 -0.72 116.57 116.21 3i5u h LYS 95 Ca 0.21 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.79 3i5u h LYS 95 Cb 0.32 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.64 3i5u h LYS 95 CO -0.45 0.00 -0.32 -1.49 -2.00 0.00 0.00 179.45 175.19 3i5u h TRP 96 N 0.00 0.00 0.00 0.07 4.06 -1.54 -3.09 115.95 115.45 3i5u h TRP 96 Ca 0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.00 3i5u h TRP 96 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 3i5u h TRP 96 CO 0.00 0.32 -1.00 1.28 -3.56 0.00 0.00 178.44 175.48 3i5u n LEU 97 N -3.65 0.71 -4.69 -4.49 4.77 -0.34 -2.91 117.00 106.40 3i5u n LEU 97 Ca -0.01 -0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 3i5u n LEU 97 Cb 0.43 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3i5u n LEU 97 CO 0.36 0.15 1.46 -0.62 -1.33 0.00 0.00 177.39 177.40 3i5u s ASP 98 N -3.40 6.47 0.00 -1.43 -1.08 -0.83 -4.58 116.67 111.83 3i5u s ASP 98 Ca 0.06 2.68 0.03 0.00 -0.52 0.00 0.00 52.55 54.80 3i5u s ASP 98 Cb 0.16 -2.56 0.13 0.00 -1.46 0.00 0.00 42.92 39.18 3i5u s ASP 98 CO 0.82 -0.99 1.06 0.23 0.52 0.00 0.00 175.17 176.81 3i5u n MET 99 N 5.99 0.01 0.04 4.34 2.81 -1.26 -1.60 117.12 127.44 3i5u n MET 99 Ca 0.18 0.42 0.02 0.00 -1.81 0.00 0.00 57.70 56.51 3i5u n MET 99 Cb 0.39 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.33 3i5u n MET 99 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3i5u n ASN 100 N -1.46 0.79 -4.81 7.83 3.02 -1.26 -3.99 115.26 115.38 3i5u n ASN 100 Ca 0.01 0.34 -0.32 0.00 -0.03 0.00 0.00 54.58 54.58 3i5u n ASN 100 Cb 0.03 0.31 0.04 0.00 -0.61 0.00 0.00 39.78 39.56 3i5u n ASN 100 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i5u s SER 101 N -5.64 5.48 0.22 6.41 1.04 -0.62 -4.87 113.70 115.71 3i5u s SER 101 Ca -0.03 1.69 -0.08 0.00 0.48 0.00 0.00 55.95 58.01 3i5u s SER 101 Cb 0.09 -2.51 0.31 0.00 0.10 0.00 0.00 66.02 64.02 3i5u s SER 101 CO 0.81 -1.38 1.76 0.00 0.98 0.00 0.00 173.24 175.42 3i5u h ALA 102 N -0.37 0.90 0.00 5.32 0.00 -1.86 -1.24 119.26 122.00 3i5u h ALA 102 Ca -0.45 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 3i5u h ALA 102 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3i5u h ALA 102 CO 0.57 -0.12 -0.72 0.28 0.00 0.00 0.00 179.25 179.26 3i5u h VAL 103 N 0.51 1.16 0.00 0.00 2.07 -1.89 0.07 116.25 118.17 3i5u h VAL 103 Ca 0.33 -2.65 -0.08 0.00 0.82 0.00 0.00 66.70 65.12 3i5u h VAL 103 Cb 0.38 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3i5u h VAL 103 CO -0.29 0.66 -0.39 1.23 0.02 0.00 0.00 177.57 178.80 3i5u h GLY 104 N 3.33 0.00 0.39 2.17 0.00 -1.35 -2.03 103.07 105.58 3i5u h GLY 104 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 3i5u h GLY 104 CO 0.09 0.00 -1.01 -0.09 0.00 0.00 0.00 176.54 175.53 3i5u h ARG 105 N 0.00 0.17 -0.89 4.80 2.43 -1.21 -3.36 114.38 116.32 3i5u h ARG 105 Ca -0.00 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 58.90 3i5u h ARG 105 Cb 1.00 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.61 3i5u h ARG 105 CO 0.05 1.14 0.58 0.78 -1.51 0.00 0.00 179.97 181.01 3i5u h GLY 106 N -0.39 1.27 1.26 2.80 0.00 -0.93 -2.48 103.07 104.61 3i5u h GLY 106 Ca -0.22 -0.45 0.08 0.00 0.00 0.00 0.00 47.33 46.74 3i5u h GLY 106 CO 0.02 0.41 0.31 -0.55 0.00 0.00 0.00 176.54 176.72 3i5u h ASP 107 N 1.15 0.23 0.20 0.19 5.19 -1.52 0.21 116.42 122.07 3i5u h ASP 107 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 3i5u h ASP 107 Cb -0.05 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.41 3i5u h ASP 107 CO -0.10 0.14 0.00 -0.07 -3.12 0.00 0.00 179.24 176.09 3i5u h LEU 108 N 0.26 0.00 0.00 1.55 3.38 -1.59 0.14 115.31 119.05 3i5u h LEU 108 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3i5u h LEU 108 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3i5u h LEU 108 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 3i5u n GLY 109 N -0.93 -0.85 0.29 0.83 0.00 0.74 -2.17 105.19 103.10 3i5u n GLY 109 Ca -0.01 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.15 3i5u n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i5u h PHE 110 N 0.00 0.00 0.00 1.61 0.05 -0.87 -1.31 116.94 116.42 3i5u h PHE 110 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3i5u h PHE 110 Cb 0.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.13 3i5u h PHE 110 CO 0.00 0.05 0.00 1.33 -0.18 0.00 0.00 178.31 179.51 3i5u n VAL 111 N -3.27 1.38 -0.68 -0.55 0.24 -0.92 -1.00 118.33 113.53 3i5u n VAL 111 Ca -0.01 0.42 0.08 0.00 -2.04 0.00 0.00 64.34 62.78 3i5u n VAL 111 Cb 0.22 -1.33 0.26 0.00 -1.47 0.00 0.00 33.84 31.53 3i5u n VAL 111 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i5u n GLU 112 N -1.70 3.25 -0.30 7.34 -0.58 -0.49 -4.68 120.64 123.47 3i5u n GLU 112 Ca 0.01 -2.66 0.14 0.00 -0.42 0.00 0.00 57.16 54.23 3i5u n GLU 112 Cb 0.09 -1.73 0.31 0.00 -0.57 0.00 0.00 31.44 29.54 3i5u n GLU 112 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3i5u h LEU 113 N 2.55 0.06 -0.73 -4.62 6.46 -1.19 -0.73 115.31 117.10 3i5u h LEU 113 Ca 0.00 0.20 0.16 0.00 -0.12 0.00 0.00 57.88 58.12 3i5u h LEU 113 Cb 1.29 0.25 -0.11 0.00 -0.73 0.00 0.00 40.66 41.36 3i5u h LEU 113 CO 0.18 -0.15 0.14 0.00 -0.62 0.00 0.00 178.44 177.99 3i5u h ALA 114 N 1.79 0.91 -0.93 1.25 0.00 -1.84 0.30 119.26 120.74 3i5u h ALA 114 Ca 0.57 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.74 3i5u h ALA 114 Cb 1.17 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 3i5u h ALA 114 CO -0.65 -0.36 0.60 1.25 0.00 0.00 0.00 179.25 180.09 3i5u h HIS 115 N 0.23 1.06 -0.22 0.00 -0.00 -1.50 0.18 115.15 114.89 3i5u h HIS 115 Ca 0.41 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.75 3i5u h HIS 115 Cb 0.71 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 3i5u h HIS 115 CO -0.29 0.53 -0.11 0.77 -0.00 0.00 0.00 177.93 178.83 3i5u h SER 116 N 1.02 0.48 0.43 3.26 0.02 -0.49 -0.75 113.55 117.52 3i5u h SER 116 Ca 0.41 -0.41 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3i5u h SER 116 Cb 0.27 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3i5u h SER 116 CO -0.17 0.78 -0.25 0.40 -1.14 0.00 0.00 176.83 176.46 3i5u h ILE 117 N 0.17 0.90 0.16 3.27 1.08 -0.70 0.75 117.51 123.14 3i5u h ILE 117 Ca 0.05 -0.94 -0.32 0.00 -0.39 0.00 0.00 64.86 63.27 3i5u h ILE 117 Cb 0.60 1.55 0.01 0.00 -3.07 0.00 0.00 36.82 35.91 3i5u h ILE 117 CO 0.03 0.24 -1.51 -0.09 -0.69 0.00 0.00 178.15 176.13 3i5u h ARG 118 N 0.00 0.35 0.00 2.37 2.43 -0.84 -3.41 114.38 115.28 3i5u h ARG 118 Ca -0.00 -0.60 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 3i5u h ARG 118 Cb 0.53 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3i5u h ARG 118 CO 0.03 1.25 -0.71 0.25 -1.51 0.00 0.00 179.97 179.28 3i5u n THR 119 N -3.55 0.00 -0.84 0.20 -2.24 -0.30 -4.99 114.28 102.55 3i5u n THR 119 Ca -0.17 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3i5u n THR 119 Cb 1.06 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 3i5u n THR 119 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5u n GLY 120 N 1.77 0.85 3.91 3.38 0.00 0.26 -5.03 105.19 110.34 3i5u n GLY 120 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3i5u n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i5u s GLN 121 N -0.16 3.59 0.69 1.61 -1.52 -1.25 -4.80 119.66 117.82 3i5u s GLN 121 Ca 0.00 -0.14 -0.17 0.00 -1.95 0.00 0.00 55.36 53.11 3i5u s GLN 121 Cb 0.00 -2.75 0.01 0.00 -0.22 0.00 0.00 33.01 30.05 3i5u s GLN 121 CO 0.00 0.32 1.22 -0.35 -0.25 0.00 0.00 175.29 176.23 3i5u n PRO 122 N -0.67 0.84 -0.04 2.91 -0.04 -1.26 -3.96 135.00 132.78 3i5u n PRO 122 Ca -0.03 0.35 -0.06 0.00 -0.04 0.00 0.00 63.50 63.72 3i5u n PRO 122 Cb 0.54 -2.46 -0.14 0.00 -0.04 0.00 0.00 33.50 31.40 3i5u n PRO 122 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i5u n ALA 123 N -2.26 1.71 -0.24 0.55 0.00 0.33 -4.40 120.51 116.20 3i5u n ALA 123 Ca 0.15 -0.94 -0.00 0.00 0.00 0.00 0.00 53.44 52.65 3i5u n ALA 123 Cb 0.49 -0.58 0.06 0.00 0.00 0.00 0.00 19.45 19.42 3i5u n ALA 123 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3i5u h TYR 124 N 0.00 -0.54 -0.88 0.00 3.20 -1.11 0.36 116.97 118.01 3i5u h TYR 124 Ca -0.35 0.07 0.10 0.00 3.14 0.00 0.00 58.73 61.69 3i5u h TYR 124 Cb 1.93 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 40.47 3i5u h TYR 124 CO 0.00 -0.33 0.52 -1.35 -1.64 0.00 0.00 178.16 175.36 3i5u h PRO 125 N -0.04 0.84 -0.96 1.82 0.11 -1.77 0.41 132.00 132.40 3i5u h PRO 125 Ca 0.32 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 66.48 3i5u h PRO 125 Cb 0.54 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 31.38 3i5u h PRO 125 CO -0.74 0.56 0.60 0.28 -0.21 0.00 0.00 178.00 178.49 3i5u h VAL 126 N 0.87 0.96 0.12 3.15 2.07 -1.17 0.59 116.25 122.84 3i5u h VAL 126 Ca 0.42 -0.34 -0.18 0.00 0.82 0.00 0.00 66.70 67.42 3i5u h VAL 126 Cb 0.37 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3i5u h VAL 126 CO -0.24 0.18 -0.82 -0.09 0.02 0.00 0.00 177.57 176.62 3i5u h ARG 127 N 1.00 0.24 -0.21 1.57 2.43 -0.89 -3.39 114.38 115.13 3i5u h ARG 127 Ca 0.46 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3i5u h ARG 127 Cb 0.38 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3i5u h ARG 127 CO -0.24 1.20 0.00 0.66 -1.51 0.00 0.00 179.97 180.08 3i5u n TYR 128 N -4.16 0.26 -1.34 2.20 4.02 0.00 -4.98 117.16 113.15 3i5u n TYR 128 Ca -0.16 -0.15 -0.12 0.00 -0.01 0.00 0.00 57.90 57.47 3i5u n TYR 128 Cb 0.79 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.06 3i5u n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i5u n GLY 129 N 1.26 1.23 3.57 2.72 0.00 0.21 -4.94 105.19 109.23 3i5u n GLY 129 Ca 0.15 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3i5u n GLY 129 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i5u s THR 130 N -2.28 0.00 0.76 2.61 -1.32 -1.25 -5.05 115.64 109.11 3i5u s THR 130 Ca 0.00 -0.22 -0.11 0.00 -1.21 0.00 0.00 61.69 60.15 3i5u s THR 130 Cb 0.00 -1.30 0.05 0.00 -1.51 0.00 0.00 72.50 69.74 3i5u s THR 130 CO 0.00 0.00 1.08 -0.94 -2.21 0.00 0.00 174.62 172.55 3i5u s SER 131 N -2.67 4.80 0.11 8.08 1.04 -1.26 -3.82 113.70 119.98 3i5u s SER 131 Ca 0.06 1.45 -0.26 0.00 0.48 0.00 0.00 55.95 57.68 3i5u s SER 131 Cb -0.01 -2.24 -0.10 0.00 0.10 0.00 0.00 66.02 63.77 3i5u s SER 131 CO -0.06 -1.79 1.66 0.15 0.98 0.00 0.00 173.24 174.17 3i5u h PHE 132 N -0.96 -0.56 -0.63 5.02 3.57 -1.95 -0.48 116.94 120.95 3i5u h PHE 132 Ca -0.46 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 3i5u h PHE 132 Cb 1.24 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 3i5u h PHE 132 CO 0.53 -0.31 0.23 -1.49 -2.23 0.00 0.00 178.31 175.04 3i5u h TRP 133 N -0.41 0.95 -0.61 0.41 -0.00 -1.94 -1.38 115.95 112.98 3i5u h TRP 133 Ca 0.02 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.89 58.82 3i5u h TRP 133 Cb 0.42 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.16 29.27 3i5u h TRP 133 CO -0.19 0.74 0.27 0.93 -0.00 0.00 0.00 178.44 180.19 3i5u h GLU 134 N 0.92 0.89 -0.39 0.49 5.08 -1.87 0.20 114.58 119.90 3i5u h GLU 134 Ca 0.21 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3i5u h GLU 134 Cb 0.21 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3i5u h GLU 134 CO -0.02 0.74 0.19 0.22 -1.00 0.00 0.00 179.01 179.15 3i5u h ASP 135 N 0.84 0.28 -0.25 1.42 3.58 -0.40 -2.26 116.42 119.63 3i5u h ASP 135 Ca 0.21 0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.52 3i5u h ASP 135 Cb 0.16 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.18 3i5u h ASP 135 CO -0.02 0.20 -0.46 -0.07 -2.88 0.00 0.00 179.24 176.01 3i5u h LEU 136 N 0.39 0.84 -2.57 2.28 3.38 -1.03 -3.00 115.31 115.61 3i5u h LEU 136 Ca 0.17 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3i5u h LEU 136 Cb 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3i5u h LEU 136 CO -0.12 1.22 0.14 1.23 0.09 0.00 0.00 178.44 181.00 3i5u h GLY 137 N 0.49 0.00 -0.95 0.83 0.00 -0.19 -1.54 103.07 101.70 3i5u h GLY 137 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3i5u h GLY 137 CO 0.10 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.50 3i5u n SER 138 N -3.05 2.56 -3.39 0.19 3.41 -0.89 -4.80 113.62 107.66 3i5u n SER 138 Ca -0.02 -1.89 -0.25 0.00 -0.26 0.00 0.00 58.87 56.44 3i5u n SER 138 Cb 0.20 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 3i5u n SER 138 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i5u s ASP 139 N -0.96 1.98 0.36 4.04 -1.08 -0.58 -5.01 116.67 115.41 3i5u s ASP 139 Ca 0.17 -2.36 0.13 0.00 -0.52 0.00 0.00 52.55 49.96 3i5u s ASP 139 Cb 0.09 -0.16 0.95 0.00 -1.46 0.00 0.00 42.92 42.34 3i5u s ASP 139 CO 0.12 -0.24 1.78 -0.65 0.52 0.00 0.00 175.17 176.69 3i5u h PRO 140 N 6.49 0.53 0.19 4.34 0.11 -1.87 0.49 132.00 142.28 3i5u h PRO 140 Ca 0.13 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 3i5u h PRO 140 Cb 0.97 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3i5u h PRO 140 CO 0.28 0.35 -0.09 0.28 -0.21 0.00 0.00 178.00 178.60 3i5u h VAL 141 N 0.55 0.89 -0.71 3.15 2.07 -1.95 0.16 116.25 120.41 3i5u h VAL 141 Ca 0.58 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 67.69 3i5u h VAL 141 Cb 1.22 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 32.11 3i5u h VAL 141 CO -0.34 0.11 0.37 0.25 0.02 0.00 0.00 177.57 177.98 3i5u h LEU 142 N -0.50 0.52 -1.28 2.57 6.46 -1.66 -0.86 115.31 120.55 3i5u h LEU 142 Ca -0.03 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 3i5u h LEU 142 Cb 0.38 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 3i5u h LEU 142 CO 0.04 0.31 -0.04 -1.28 -0.62 0.00 0.00 178.44 176.86 3i5u h SER 143 N 0.66 0.41 -0.34 1.25 0.87 -0.72 -2.48 113.55 113.21 3i5u h SER 143 Ca 0.34 -0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.73 3i5u h SER 143 Cb 0.29 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3i5u h SER 143 CO -0.23 0.51 -0.12 0.00 -0.53 0.00 0.00 176.83 176.45 3i5u h ALA 144 N 1.54 0.48 -0.85 6.23 0.00 0.68 -2.29 119.26 125.05 3i5u h ALA 144 Ca 0.09 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3i5u h ALA 144 Cb 0.34 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3i5u h ALA 144 CO 0.01 0.36 0.57 0.66 0.00 0.00 0.00 179.25 180.85 3i5u h SER 145 N 0.47 0.98 -0.48 0.00 4.64 -1.01 -1.49 113.55 116.65 3i5u h SER 145 Ca 0.08 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3i5u h SER 145 Cb 0.64 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 3i5u h SER 145 CO 0.04 0.71 0.31 0.15 -0.87 0.00 0.00 176.83 177.17 3i5u h PHE 146 N 1.16 0.58 -0.77 4.77 3.57 -1.27 -0.68 116.94 124.29 3i5u h PHE 146 Ca 0.31 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.86 3i5u h PHE 146 Cb -0.13 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.37 3i5u h PHE 146 CO -0.01 0.35 0.49 -0.44 -2.23 0.00 0.00 178.31 176.46 3i5u h ASP 147 N 0.62 0.80 -0.54 0.41 3.32 -0.81 0.31 116.42 120.53 3i5u h ASP 147 Ca 0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3i5u h ASP 147 Cb -0.03 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3i5u h ASP 147 CO -0.06 0.54 0.31 0.74 -1.72 0.00 0.00 179.24 179.05 3i5u h THR 148 N 0.94 1.17 -0.22 0.35 2.02 -0.85 -0.07 112.91 116.25 3i5u h THR 148 Ca 0.31 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3i5u h THR 148 Cb 0.04 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3i5u h THR 148 CO -0.12 0.18 0.09 -0.07 0.37 0.00 0.00 175.52 175.97 3i5u h LEU 149 N 0.72 0.30 -1.39 2.58 3.38 -0.22 -0.31 115.31 120.37 3i5u h LEU 149 Ca 0.19 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3i5u h LEU 149 Cb 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3i5u h LEU 149 CO -0.03 0.38 -0.11 0.24 0.09 0.00 0.00 178.44 179.01 3i5u h MET 150 N 0.21 0.27 -0.63 1.13 2.86 -0.81 -0.91 114.93 117.04 3i5u h MET 150 Ca 0.07 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 3i5u h MET 150 Cb 0.17 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3i5u h MET 150 CO -0.01 0.39 0.09 1.03 1.06 0.00 0.00 176.91 179.47 3i5u h SER 151 N 0.25 1.01 0.31 1.22 0.87 -0.50 -2.62 113.55 114.10 3i5u h SER 151 Ca 0.05 -0.27 -0.10 0.00 -1.23 0.00 0.00 61.79 60.25 3i5u h SER 151 Cb 0.36 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3i5u h SER 151 CO 0.02 1.02 -0.41 -0.74 -0.53 0.00 0.00 176.83 176.20 3i5u h HIS 152 N 0.96 0.16 0.00 2.24 6.17 -0.09 -2.55 115.15 122.05 3i5u h HIS 152 Ca 0.19 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.23 3i5u h HIS 152 Cb 0.45 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.34 3i5u h HIS 152 CO 0.03 0.53 0.00 1.12 0.71 0.00 0.00 177.93 180.32 3i5u h HIS 153 N 0.12 0.00 -0.07 5.26 -0.00 -0.83 -2.72 115.15 116.90 3i5u h HIS 153 Ca 0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.20 3i5u h HIS 153 Cb 0.77 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.20 3i5u h HIS 153 CO 0.01 0.00 -0.66 -0.07 -0.00 0.00 0.00 177.93 177.21 3i5u h LEU 154 N 0.00 0.70 -0.70 6.12 3.38 -1.26 -1.89 115.31 121.65 3i5u h LEU 154 Ca 0.00 -0.68 -0.09 0.00 0.09 0.00 0.00 57.88 57.19 3i5u h LEU 154 Cb 0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3i5u h LEU 154 CO 0.00 1.28 -0.03 -0.33 0.09 0.00 0.00 178.44 179.45 3i5u h GLU 155 N 0.18 0.97 -0.05 1.13 5.08 -1.55 0.24 114.58 120.59 3i5u h GLU 155 Ca -0.06 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 3i5u h GLU 155 Cb 1.32 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3i5u h GLU 155 CO 0.13 0.98 -0.02 -0.07 -1.00 0.00 0.00 179.01 179.03 3i5u h LEU 156 N 0.89 0.10 0.00 1.33 3.38 -1.50 -3.35 115.31 116.16 3i5u h LEU 156 Ca 0.16 -0.41 -0.24 0.00 0.09 0.00 0.00 57.88 57.48 3i5u h LEU 156 Cb 0.56 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3i5u h LEU 156 CO 0.03 0.49 -2.23 0.47 0.09 0.00 0.00 178.44 177.29 3i5u n ASP 157 N -4.82 0.09 -1.90 -0.43 8.00 -0.71 -4.57 116.55 112.21 3i5u n ASP 157 Ca -0.07 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.42 3i5u n ASP 157 Cb 0.24 1.33 0.33 0.00 -0.02 0.00 0.00 41.12 43.00 3i5u n ASP 157 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i5u n TYR 158 N -2.57 2.19 -1.70 1.24 4.02 0.86 -4.19 117.16 117.01 3i5u n TYR 158 Ca -0.23 -0.95 -0.43 0.00 -0.01 0.00 0.00 57.90 56.28 3i5u n TYR 158 Cb 0.94 -0.59 -0.03 0.00 -0.02 0.00 0.00 39.34 39.64 3i5u n TYR 158 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3i5u n THR 159 N 0.19 0.06 -2.79 -0.72 -2.24 -1.24 -1.08 114.28 106.45 3i5u n THR 159 Ca 0.33 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.88 3i5u n THR 159 Cb 1.26 -1.82 0.02 0.00 -2.10 0.00 0.00 70.33 67.69 3i5u n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5u n GLY 160 N 3.67 -0.52 0.10 3.38 0.00 -1.26 -4.89 105.19 105.68 3i5u n GLY 160 Ca 0.16 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.38 3i5u n GLY 160 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i5u n ILE 161 N -4.32 0.72 -0.20 -0.61 3.06 -0.25 -3.36 119.36 114.40 3i5u n ILE 161 Ca -0.16 0.05 -0.09 0.00 -2.50 0.00 0.00 62.75 60.04 3i5u n ILE 161 Cb 0.65 -0.92 0.02 0.00 0.54 0.00 0.00 39.64 39.93 3i5u n ILE 161 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i5u h ALA 162 N 2.41 0.77 0.00 1.51 0.00 -1.90 -3.19 119.26 118.87 3i5u h ALA 162 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 3i5u h ALA 162 Cb 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3i5u h ALA 162 CO 0.00 0.59 -0.92 0.00 0.00 0.00 0.00 179.25 178.93 3i5u h ALA 163 N 0.98 0.65 0.00 0.00 0.00 -1.97 -3.35 119.26 115.56 3i5u h ALA 163 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3i5u h ALA 163 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3i5u h ALA 163 CO 0.03 0.41 0.00 1.63 0.00 0.00 0.00 179.25 181.32 3i5u n LYS 164 N -2.90 0.05 -3.90 0.00 4.76 -1.20 -4.71 118.16 110.26 3i5u n LYS 164 Ca -0.02 0.40 -0.10 0.00 -2.87 0.00 0.00 58.31 55.72 3i5u n LYS 164 Cb 0.68 -1.62 -0.09 0.00 -1.84 0.00 0.00 35.03 32.16 3i5u n LYS 164 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3i5u s TYR 165 N -3.12 0.16 -1.26 2.13 5.04 -1.25 -5.04 117.35 114.00 3i5u s TYR 165 Ca 0.03 -0.45 -0.12 0.00 -2.44 0.00 0.00 57.07 54.10 3i5u s TYR 165 Cb 0.06 -0.11 0.16 0.00 0.35 0.00 0.00 41.96 42.43 3i5u s TYR 165 CO 0.20 -0.40 1.70 -3.47 -1.34 0.00 0.00 175.55 172.25 3i5u n ASP 166 N 0.68 5.10 0.10 4.32 2.03 -1.26 -4.77 116.55 122.75 3i5u n ASP 166 Ca -0.19 -3.04 -0.13 0.00 0.52 0.00 0.00 54.79 51.95 3i5u n ASP 166 Cb 0.59 -1.53 -0.08 0.00 -0.72 0.00 0.00 41.12 39.37 3i5u n ASP 166 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 3i5u h TRP 167 N 6.40 -0.20 -0.89 -0.67 4.06 -1.96 -3.14 115.95 119.54 3i5u h TRP 167 Ca 0.37 -0.00 0.28 0.00 2.06 0.00 0.00 58.89 61.60 3i5u h TRP 167 Cb 0.74 0.07 -0.17 0.00 -1.00 0.00 0.00 29.16 28.80 3i5u h TRP 167 CO 1.20 0.01 0.15 0.00 -3.56 0.00 0.00 178.44 176.24 3i5u n ALA 168 N -2.28 0.58 0.26 1.49 0.00 -1.26 0.14 120.51 119.44 3i5u n ALA 168 Ca -0.09 0.95 0.17 0.00 0.00 0.00 0.00 53.44 54.47 3i5u n ALA 168 Cb 0.17 -0.76 0.92 0.00 0.00 0.00 0.00 19.45 19.79 3i5u n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i5u h ALA 169 N 1.79 1.01 -0.00 0.00 0.00 -1.96 -2.35 119.26 117.75 3i5u h ALA 169 Ca 0.60 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.35 3i5u h ALA 169 Cb 1.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3i5u h ALA 169 CO -0.80 -0.01 -0.76 -0.07 0.00 0.00 0.00 179.25 177.61 3i5u h LEU 170 N 0.00 0.03 0.00 0.00 3.38 0.11 -3.48 115.31 115.36 3i5u h LEU 170 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i5u h LEU 170 Cb 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3i5u h LEU 170 CO 0.00 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.92 3i5u n GLY 171 N 0.65 2.04 2.72 0.83 0.00 -0.89 -3.62 105.19 106.92 3i5u n GLY 171 Ca -0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 3i5u n GLY 171 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i5u s HIS 172 N 0.00 0.32 -0.08 1.61 5.65 -1.25 -1.71 115.29 119.83 3i5u s HIS 172 Ca 0.00 0.07 0.01 0.00 0.25 0.00 0.00 55.06 55.39 3i5u s HIS 172 Cb 0.00 -0.61 -0.03 0.00 -1.18 0.00 0.00 32.58 30.76 3i5u s HIS 172 CO 0.00 -0.25 -0.09 0.14 -0.65 0.00 0.00 174.74 173.90 3i5u s VAL 173 N 2.05 3.54 -0.30 0.89 -7.23 -0.63 -0.17 120.40 118.56 3i5u s VAL 173 Ca 0.05 -0.53 -0.10 0.00 -1.81 0.00 0.00 61.98 59.59 3i5u s VAL 173 Cb -0.12 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 3i5u s VAL 173 CO -0.04 0.58 0.16 -0.69 -0.31 0.00 0.00 175.10 174.80 3i5u s VAL 174 N -0.56 4.83 -0.69 1.32 1.01 0.75 -1.05 120.40 126.02 3i5u s VAL 174 Ca 0.08 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 3i5u s VAL 174 Cb -0.12 -3.40 0.09 0.00 0.00 0.00 0.00 36.38 32.95 3i5u s VAL 174 CO 0.02 0.13 0.91 -0.62 0.00 0.00 0.00 175.10 175.54 3i5u s ASP 175 N 1.66 6.26 -0.20 3.32 -1.08 0.17 -0.64 116.67 126.17 3i5u s ASP 175 Ca 0.06 -1.32 -0.29 0.00 -0.52 0.00 0.00 52.55 50.47 3i5u s ASP 175 Cb -0.17 -2.38 -0.01 0.00 -1.46 0.00 0.00 42.92 38.90 3i5u s ASP 175 CO 0.08 -1.27 1.34 -0.69 0.52 0.00 0.00 175.17 175.14 3i5u s VAL 176 N 3.38 4.13 -0.56 1.11 1.01 0.48 -1.59 120.40 128.36 3i5u s VAL 176 Ca 0.21 1.34 -0.00 0.00 0.00 0.00 0.00 61.98 63.52 3i5u s VAL 176 Cb -0.17 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3i5u s VAL 176 CO 0.05 -0.24 0.05 0.61 0.00 0.00 0.00 175.10 175.58 3i5u n GLY 177 N 3.94 0.14 0.09 4.51 0.00 0.28 -4.40 105.19 109.75 3i5u n GLY 177 Ca 0.15 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3i5u n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5u n GLY 178 N -1.00 -0.24 7.00 -0.02 0.00 -0.85 -4.84 105.19 105.23 3i5u n GLY 178 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3i5u n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5u n GLY 179 N 0.01 2.06 0.71 -0.02 0.00 -1.26 -1.94 105.19 104.76 3i5u n GLY 179 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 3i5u n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i5u n SER 180 N -0.71 1.78 -0.39 1.61 3.41 -1.25 -4.15 113.62 113.92 3i5u n SER 180 Ca 0.00 -2.04 -0.05 0.00 -0.26 0.00 0.00 58.87 56.52 3i5u n SER 180 Cb 0.00 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.42 3i5u n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i5u n GLY 181 N 0.16 0.72 0.29 5.00 0.00 -0.82 -3.72 105.19 106.82 3i5u n GLY 181 Ca 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 3i5u n GLY 181 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i5u h GLY 182 N 0.00 1.04 0.50 -0.02 0.00 -1.89 0.02 103.07 102.73 3i5u h GLY 182 Ca -0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3i5u h GLY 182 CO 0.15 0.36 -0.09 -2.00 0.00 0.00 0.00 176.54 174.96 3i5u h LEU 183 N 0.98 -0.22 -0.84 3.11 5.85 -1.91 -2.56 115.31 119.71 3i5u h LEU 183 Ca 0.27 -0.30 0.12 0.00 0.84 0.00 0.00 57.88 58.82 3i5u h LEU 183 Cb -0.09 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3i5u h LEU 183 CO -0.07 0.25 0.46 0.25 -0.34 0.00 0.00 178.44 178.99 3i5u h LEU 184 N -0.76 0.61 -1.51 2.25 6.46 -1.89 0.88 115.31 121.35 3i5u h LEU 184 Ca -0.03 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.82 3i5u h LEU 184 Cb 0.51 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 3i5u h LEU 184 CO 0.04 0.30 0.35 -1.28 -0.62 0.00 0.00 178.44 177.23 3i5u h SER 185 N 0.71 0.57 0.47 1.25 0.87 -0.97 0.43 113.55 116.88 3i5u h SER 185 Ca 0.44 -0.01 -0.22 0.00 -1.23 0.00 0.00 61.79 60.76 3i5u h SER 185 Cb 0.53 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3i5u h SER 185 CO -0.31 0.40 -0.96 0.00 -0.53 0.00 0.00 176.83 175.43 3i5u h ALA 186 N 1.68 0.38 -0.11 6.23 0.00 -0.46 -2.25 119.26 124.72 3i5u h ALA 186 Ca 0.20 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3i5u h ALA 186 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i5u h ALA 186 CO -0.05 0.88 -0.05 -0.07 0.00 0.00 0.00 179.25 179.96 3i5u h LEU 187 N 0.16 0.24 -1.24 0.00 4.07 -0.49 -2.78 115.31 115.28 3i5u h LEU 187 Ca -0.07 -0.41 -0.08 0.00 0.08 0.00 0.00 57.88 57.40 3i5u h LEU 187 Cb 1.61 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 43.28 3i5u h LEU 187 CO 0.16 0.60 -0.37 -0.07 -1.08 0.00 0.00 178.44 177.67 3i5u h LEU 188 N -0.12 0.00 -0.66 1.67 3.38 -1.00 -1.61 115.31 116.96 3i5u h LEU 188 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 3i5u h LEU 188 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3i5u h LEU 188 CO 0.02 0.37 -0.50 0.74 0.09 0.00 0.00 178.44 179.17 3i5u h THR 189 N 0.00 1.33 0.00 0.22 2.02 -1.37 -3.08 112.91 112.03 3i5u h THR 189 Ca -0.00 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.45 3i5u h THR 189 Cb 0.69 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 3i5u h THR 189 CO 0.05 0.53 -0.40 0.00 0.37 0.00 0.00 175.52 176.07 3i5u h ALA 190 N 1.12 0.79 -3.12 6.16 0.00 -1.22 -3.41 119.26 119.58 3i5u h ALA 190 Ca 0.02 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.32 3i5u h ALA 190 Cb 0.99 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.38 3i5u h ALA 190 CO 0.09 0.00 -0.74 -1.01 0.00 0.00 0.00 179.25 177.59 3i5u s HIS 191 N -3.25 2.06 0.47 0.00 3.76 -0.63 -5.02 115.29 112.68 3i5u s HIS 191 Ca 0.05 -2.22 0.19 0.00 -0.15 0.00 0.00 55.06 52.93 3i5u s HIS 191 Cb 0.08 -1.93 1.19 0.00 1.11 0.00 0.00 32.58 33.03 3i5u s HIS 191 CO 0.71 -0.84 1.95 0.93 -0.85 0.00 0.00 174.74 176.65 3i5u h GLU 192 N 7.34 0.24 -0.64 1.40 5.08 -1.81 -2.10 114.58 124.09 3i5u h GLU 192 Ca -0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3i5u h GLU 192 Cb 0.97 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3i5u h GLU 192 CO 0.48 0.16 0.00 -0.25 -1.00 0.00 0.00 179.01 178.40 3i5u n ASP 193 N -4.44 3.82 -4.88 1.42 8.00 -1.26 -4.92 116.55 114.28 3i5u n ASP 193 Ca 0.12 -2.21 -0.33 0.00 0.71 0.00 0.00 54.79 53.07 3i5u n ASP 193 Cb 0.55 -0.49 -0.05 0.00 -0.02 0.00 0.00 41.12 41.12 3i5u n ASP 193 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3i5u s LEU 194 N -1.36 4.33 0.12 0.64 2.96 -0.79 -4.93 118.68 119.65 3i5u s LEU 194 Ca 0.43 0.63 0.06 0.00 -0.22 0.00 0.00 54.13 55.03 3i5u s LEU 194 Cb 0.26 -2.99 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 3i5u s LEU 194 CO 0.25 0.16 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.36 3i5u s SER 195 N -1.99 1.91 0.32 3.68 1.04 -0.70 -4.90 113.70 113.06 3i5u s SER 195 Ca 0.34 -0.81 -0.14 0.00 0.48 0.00 0.00 55.95 55.82 3i5u s SER 195 Cb -0.13 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 65.96 3i5u s SER 195 CO 0.20 -0.16 0.64 -0.83 0.98 0.00 0.00 173.24 174.07 3i5u s GLY 196 N -2.44 0.49 -0.02 7.32 0.00 -0.82 -1.60 107.32 110.26 3i5u s GLY 196 Ca 0.08 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.00 3i5u s GLY 196 CO 0.03 -0.45 0.02 -1.59 0.00 0.00 0.00 173.10 171.10 3i5u s THR 197 N -3.25 -0.01 -0.30 0.90 2.01 -0.22 -1.79 115.64 112.98 3i5u s THR 197 Ca 0.19 0.14 -0.13 0.00 0.31 0.00 0.00 61.69 62.20 3i5u s THR 197 Cb -0.03 -0.09 -0.04 0.00 0.01 0.00 0.00 72.50 72.35 3i5u s THR 197 CO 0.11 0.07 0.26 -0.69 -0.69 0.00 0.00 174.62 173.68 3i5u s VAL 198 N 0.75 5.26 -0.29 3.82 1.01 -0.25 0.44 120.40 131.13 3i5u s VAL 198 Ca -0.06 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 3i5u s VAL 198 Cb -0.09 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.67 3i5u s VAL 198 CO -0.02 0.14 0.04 -0.22 0.00 0.00 0.00 175.10 175.04 3i5u s LEU 199 N 1.85 3.71 0.00 3.92 0.20 -0.62 -1.52 118.68 126.21 3i5u s LEU 199 Ca 0.09 -0.80 -0.02 0.00 0.69 0.00 0.00 54.13 54.09 3i5u s LEU 199 Cb -0.16 -1.82 0.01 0.00 -0.43 0.00 0.00 46.19 43.79 3i5u s LEU 199 CO 0.11 -0.19 0.16 -0.67 -0.29 0.00 0.00 176.35 175.47 3i5u n ASP 200 N 4.80 -0.46 -4.88 3.68 -0.08 -1.16 0.98 116.55 119.44 3i5u n ASP 200 Ca -0.15 -1.44 -0.30 0.00 -1.51 0.00 0.00 54.79 51.39 3i5u n ASP 200 Cb 0.47 0.80 0.03 0.00 2.34 0.00 0.00 41.12 44.76 3i5u n ASP 200 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3i5u s LEU 201 N 0.00 3.05 0.08 -2.67 1.43 -1.26 -1.16 118.68 118.15 3i5u s LEU 201 Ca 0.06 1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 54.26 3i5u s LEU 201 Cb -0.01 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 3i5u s LEU 201 CO 0.04 -1.13 0.93 0.00 0.23 0.00 0.00 176.35 176.42 3i5u n GLN 202 N -2.89 -0.22 -0.00 1.70 6.02 -1.26 -1.43 117.38 119.30 3i5u n GLN 202 Ca 0.07 0.91 -0.00 0.00 -0.01 0.00 0.00 57.00 57.97 3i5u n GLN 202 Cb 0.56 -1.35 -0.00 0.00 1.02 0.00 0.00 30.24 30.47 3i5u n GLN 202 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3i5u h GLY 203 N 0.00 -1.61 0.50 1.08 0.00 -1.96 0.12 103.07 101.20 3i5u h GLY 203 Ca 0.08 0.69 0.10 0.00 0.00 0.00 0.00 47.33 48.20 3i5u h GLY 203 CO -0.46 -0.61 0.45 -2.55 0.00 0.00 0.00 176.54 173.36 3i5u h PRO 204 N -0.01 0.72 -0.72 4.80 0.11 -1.82 -2.26 132.00 132.83 3i5u h PRO 204 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3i5u h PRO 204 Cb 0.01 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 30.92 3i5u h PRO 204 CO -0.00 0.48 0.46 0.00 -0.21 0.00 0.00 178.00 178.72 3i5u h ALA 205 N 1.45 0.91 -0.63 -0.75 0.00 -0.99 0.12 119.26 119.36 3i5u h ALA 205 Ca 0.39 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3i5u h ALA 205 Cb 0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3i5u h ALA 205 CO -0.25 0.35 0.14 0.66 0.00 0.00 0.00 179.25 180.15 3i5u h SER 206 N 0.97 0.95 -0.28 0.00 4.64 -0.36 -0.46 113.55 119.00 3i5u h SER 206 Ca 0.26 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 3i5u h SER 206 Cb -0.08 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.75 3i5u h SER 206 CO -0.05 0.92 -0.23 0.00 -0.87 0.00 0.00 176.83 176.60 3i5u h ALA 207 N 1.20 0.89 -0.32 5.18 0.00 -0.80 -0.39 119.26 125.01 3i5u h ALA 207 Ca 0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3i5u h ALA 207 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3i5u h ALA 207 CO 0.00 0.63 0.16 0.00 0.00 0.00 0.00 179.25 180.03 3i5u h ALA 208 N 1.09 0.42 -0.50 0.00 0.00 -0.27 -1.13 119.26 118.87 3i5u h ALA 208 Ca 0.09 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3i5u h ALA 208 Cb 0.73 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3i5u h ALA 208 CO 0.06 -0.02 0.22 1.25 0.00 0.00 0.00 179.25 180.76 3i5u h HIS 209 N 0.39 0.40 -0.69 0.00 6.17 -0.78 0.29 115.15 120.93 3i5u h HIS 209 Ca 0.11 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.20 3i5u h HIS 209 Cb 0.12 -0.11 -0.03 0.00 2.52 0.00 0.00 27.41 29.91 3i5u h HIS 209 CO -0.02 0.17 0.37 -0.09 0.71 0.00 0.00 177.93 179.07 3i5u h ARG 210 N 0.43 0.96 0.11 5.26 1.12 -0.79 -0.97 114.38 120.50 3i5u h ARG 210 Ca 0.23 -0.11 -0.01 0.00 -1.11 0.00 0.00 59.98 58.98 3i5u h ARG 210 Cb 0.18 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 3i5u h ARG 210 CO -0.19 0.71 -0.05 -0.09 -3.11 0.00 0.00 179.97 177.24 3i5u h ARG 211 N 0.97 -0.14 -0.71 0.20 2.43 -0.21 -1.60 114.38 115.31 3i5u h ARG 211 Ca 0.24 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3i5u h ARG 211 Cb 0.04 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3i5u h ARG 211 CO -0.04 0.22 0.43 0.74 -1.51 0.00 0.00 179.97 179.81 3i5u h PHE 212 N -0.51 0.94 -0.36 2.20 0.04 -0.84 -0.24 116.94 118.17 3i5u h PHE 212 Ca -0.01 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 3i5u h PHE 212 Cb 0.42 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 3i5u h PHE 212 CO 0.04 0.63 0.23 1.25 -0.60 0.00 0.00 178.31 179.86 3i5u h LEU 213 N 0.97 0.43 -0.73 1.54 6.46 -1.19 0.26 115.31 123.05 3i5u h LEU 213 Ca 0.26 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.92 3i5u h LEU 213 Cb -0.03 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 3i5u h LEU 213 CO -0.05 0.34 -0.25 -0.78 -0.62 0.00 0.00 178.44 177.08 3i5u h ASP 214 N 0.48 0.00 -0.52 1.25 1.82 -0.97 -3.18 116.42 115.29 3i5u h ASP 214 Ca 0.13 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 3i5u h ASP 214 Cb -0.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.99 3i5u h ASP 214 CO -0.03 0.25 0.00 0.35 -1.61 0.00 0.00 179.24 178.21 3i5u n THR 215 N -3.30 1.76 -3.37 2.25 -2.24 -0.13 -4.96 114.28 104.29 3i5u n THR 215 Ca 0.01 -1.28 -0.20 0.00 -2.27 0.00 0.00 64.05 60.31 3i5u n THR 215 Cb 0.51 0.13 0.06 0.00 -2.10 0.00 0.00 70.33 68.94 3i5u n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5u n GLY 216 N 0.72 -0.28 0.10 3.38 0.00 -0.94 -4.92 105.19 103.25 3i5u n GLY 216 Ca 0.22 0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.34 3i5u n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i5u n LEU 217 N -4.15 0.99 0.34 0.99 4.77 0.87 -4.64 117.00 116.17 3i5u n LEU 217 Ca 0.00 -0.88 0.18 0.00 -0.03 0.00 0.00 56.01 55.29 3i5u n LEU 217 Cb 0.55 0.00 0.97 0.00 -2.33 0.00 0.00 43.42 42.62 3i5u n LEU 217 CO 0.52 0.22 1.15 0.77 -1.33 0.00 0.00 177.39 178.73 3i5u h SER 218 N 0.48 0.00 1.02 -1.43 4.64 -1.70 0.34 113.55 116.90 3i5u h SER 218 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3i5u h SER 218 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3i5u h SER 218 CO 0.00 0.00 -0.15 1.23 -0.87 0.00 0.00 176.83 177.04 3i5u h GLY 219 N 0.00 0.00 0.00 -0.77 0.00 -1.90 -3.34 103.07 97.06 3i5u h GLY 219 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i5u h GLY 219 CO -0.00 0.00 -0.85 0.54 0.00 0.00 0.00 176.54 176.23 3i5u n ARG 220 N -3.28 1.22 -4.48 4.80 1.74 0.30 -5.03 116.66 111.93 3i5u n ARG 220 Ca 0.01 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.75 3i5u n ARG 220 Cb 0.40 -0.92 -0.13 0.00 -1.02 0.00 0.00 32.46 30.79 3i5u n ARG 220 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i5u s ALA 221 N -1.72 2.89 0.19 7.54 0.00 0.93 -1.94 121.76 129.66 3i5u s ALA 221 Ca 0.00 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.19 3i5u s ALA 221 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 3i5u s ALA 221 CO 0.00 0.19 -0.16 1.14 0.00 0.00 0.00 175.76 176.93 3i5u s GLN 222 N 0.42 1.32 0.18 0.00 -2.07 -0.74 -4.37 119.66 114.40 3i5u s GLN 222 Ca -0.06 -1.53 0.09 0.00 -1.82 0.00 0.00 55.36 52.05 3i5u s GLN 222 Cb -0.15 -1.20 -0.04 0.00 -1.09 0.00 0.00 33.01 30.53 3i5u s GLN 222 CO 0.03 0.22 -0.12 0.08 -1.32 0.00 0.00 175.29 174.18 3i5u s VAL 223 N -2.65 3.03 -0.21 3.63 1.01 -1.26 -1.09 120.40 122.85 3i5u s VAL 223 Ca 0.20 -1.74 -0.04 0.00 0.00 0.00 0.00 61.98 60.41 3i5u s VAL 223 Cb -0.03 -2.49 0.10 0.00 0.00 0.00 0.00 36.38 33.97 3i5u s VAL 223 CO 0.07 -0.12 0.31 -0.69 0.00 0.00 0.00 175.10 174.68 3i5u s VAL 224 N -1.71 -0.49 0.00 2.92 1.01 -0.58 -4.90 120.40 116.66 3i5u s VAL 224 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 3i5u s VAL 224 Cb -0.09 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 3i5u s VAL 224 CO 0.14 -0.09 1.17 -0.69 0.00 0.00 0.00 175.10 175.63 3i5u s VAL 225 N 2.46 4.25 0.00 2.92 1.01 -1.26 -2.96 120.40 126.82 3i5u s VAL 225 Ca 0.07 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.65 3i5u s VAL 225 Cb -0.15 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3i5u s VAL 225 CO -0.13 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.65 3i5u n GLY 226 N 3.23 0.64 3.75 4.51 0.00 -0.31 -4.94 105.19 112.07 3i5u n GLY 226 Ca 0.09 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 3i5u n GLY 226 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i5u s SER 227 N 0.00 6.23 0.00 1.61 0.15 -1.26 -4.01 113.70 116.41 3i5u s SER 227 Ca 0.00 0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.92 3i5u s SER 227 Cb 0.00 -2.09 0.07 0.00 -1.71 0.00 0.00 66.02 62.29 3i5u s SER 227 CO 0.00 0.21 0.63 2.22 1.20 0.00 0.00 173.24 177.50 3i5u n PHE 228 N 3.32 0.00 0.56 3.44 1.16 -1.26 -1.25 117.46 123.42 3i5u n PHE 228 Ca -0.17 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.53 3i5u n PHE 228 Cb 0.52 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.46 3i5u n PHE 228 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 3i5u n PHE 229 N -0.53 0.35 -3.34 2.97 3.01 -1.26 -4.62 117.46 114.04 3i5u n PHE 229 Ca 0.01 0.10 -0.19 0.00 1.01 0.00 0.00 57.45 58.38 3i5u n PHE 229 Cb 0.00 -0.51 -0.01 0.00 -0.01 0.00 0.00 39.48 38.96 3i5u n PHE 229 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i5u s ASP 230 N -4.03 5.29 0.56 4.37 1.01 -0.38 -4.99 116.67 118.49 3i5u s ASP 230 Ca 0.04 -0.63 -0.19 0.00 0.71 0.00 0.00 52.55 52.49 3i5u s ASP 230 Cb 0.14 -0.57 -0.08 0.00 1.01 0.00 0.00 42.92 43.42 3i5u s ASP 230 CO 0.78 -0.72 0.63 -2.65 0.21 0.00 0.00 175.17 173.42 3i5u n PRO 231 N -1.69 0.62 -4.27 8.23 -0.02 -1.26 -4.91 135.00 131.70 3i5u n PRO 231 Ca 0.05 0.24 -0.23 0.00 -2.02 0.00 0.00 63.50 61.54 3i5u n PRO 231 Cb 0.61 -1.79 -0.07 0.00 -0.02 0.00 0.00 33.50 32.22 3i5u n PRO 231 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i5u s LEU 232 N 0.21 3.17 -0.05 2.45 1.43 -1.26 -4.95 118.68 119.67 3i5u s LEU 232 Ca 0.70 -0.71 -0.34 0.00 -1.03 0.00 0.00 54.13 52.75 3i5u s LEU 232 Cb -0.45 -1.67 -0.12 0.00 0.03 0.00 0.00 46.19 43.97 3i5u s LEU 232 CO 0.53 -0.07 1.83 -2.65 0.23 0.00 0.00 176.35 176.22 3i5u n PRO 233 N -0.94 2.14 -2.59 1.29 -0.02 -1.26 -4.85 135.00 128.77 3i5u n PRO 233 Ca -0.06 0.78 -0.25 0.00 -2.02 0.00 0.00 63.50 61.96 3i5u n PRO 233 Cb 0.60 -2.61 0.03 0.00 -0.02 0.00 0.00 33.50 31.49 3i5u n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i5u s ALA 234 N 3.56 3.47 -0.12 3.55 0.00 -1.26 -4.56 121.76 126.39 3i5u s ALA 234 Ca 0.91 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.03 3i5u s ALA 234 Cb -0.70 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 19.98 3i5u s ALA 234 CO 0.50 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.00 3i5u n GLY 235 N -2.42 0.50 3.87 0.00 0.00 -0.50 -5.04 105.19 101.61 3i5u n GLY 235 Ca 0.04 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 3i5u n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5u s ALA 236 N -1.98 2.93 0.15 4.61 0.00 -1.26 -4.97 121.76 121.25 3i5u s ALA 236 Ca 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 3i5u s ALA 236 Cb 0.00 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 3i5u s ALA 236 CO 0.00 -1.01 1.42 0.78 0.00 0.00 0.00 175.76 176.95 3i5u h GLY 237 N -0.56 0.74 -5.03 0.00 0.00 -0.62 -3.41 103.07 94.19 3i5u h GLY 237 Ca -0.45 -0.93 -0.16 0.00 0.00 0.00 0.00 47.33 45.79 3i5u h GLY 237 CO 0.63 0.83 -0.49 -0.32 0.00 0.00 0.00 176.54 177.19 3i5u s GLY 238 N -4.11 -0.04 -0.19 4.60 0.00 -1.12 -1.27 107.32 105.18 3i5u s GLY 238 Ca -0.09 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.81 3i5u s GLY 238 CO 0.87 0.05 -0.18 -0.19 0.00 0.00 0.00 173.10 173.65 3i5u s TYR 239 N -0.74 2.86 -0.15 1.90 1.51 -0.08 -0.18 117.35 122.47 3i5u s TYR 239 Ca -0.08 -1.71 -0.08 0.00 -1.01 0.00 0.00 57.07 54.19 3i5u s TYR 239 Cb -0.05 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 3i5u s TYR 239 CO 0.01 -0.81 0.14 0.08 -1.11 0.00 0.00 175.55 173.86 3i5u s VAL 240 N 1.27 5.47 -0.49 0.71 1.01 0.19 -0.20 120.40 128.36 3i5u s VAL 240 Ca 0.03 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.25 3i5u s VAL 240 Cb -0.14 -3.43 0.13 0.00 0.00 0.00 0.00 36.38 32.94 3i5u s VAL 240 CO -0.11 0.55 0.24 -0.76 0.00 0.00 0.00 175.10 175.02 3i5u s LEU 241 N -0.47 3.84 -0.35 3.92 1.43 -0.44 -0.39 118.68 126.22 3i5u s LEU 241 Ca 0.12 -2.86 -0.14 0.00 -1.03 0.00 0.00 54.13 50.23 3i5u s LEU 241 Cb -0.12 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 3i5u s LEU 241 CO 0.02 -0.25 0.28 -0.55 0.23 0.00 0.00 176.35 176.08 3i5u s SER 242 N -0.05 6.10 -1.42 2.29 0.15 -1.26 -0.15 113.70 119.36 3i5u s SER 242 Ca 0.17 -0.47 -0.08 0.00 0.70 0.00 0.00 55.95 56.27 3i5u s SER 242 Cb -0.25 -2.16 0.04 0.00 -1.71 0.00 0.00 66.02 61.95 3i5u s SER 242 CO -0.00 -0.30 0.88 0.00 1.20 0.00 0.00 173.24 175.01 3i5u n ALA 243 N 5.19 -1.60 -0.00 5.45 0.00 0.25 -4.90 120.51 124.89 3i5u n ALA 243 Ca -0.11 0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 3i5u n ALA 243 Cb 0.49 -3.46 -0.01 0.00 0.00 0.00 0.00 19.45 16.47 3i5u n ALA 243 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i5u n VAL 244 N -4.53 1.04 -0.32 0.00 0.31 -1.26 -4.77 118.33 108.80 3i5u n VAL 244 Ca -0.11 0.20 0.13 0.00 -0.01 0.00 0.00 64.34 64.55 3i5u n VAL 244 Cb 0.59 -1.74 0.35 0.00 -0.91 0.00 0.00 33.84 32.13 3i5u n VAL 244 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i5u h LEU 245 N -0.28 0.73 0.00 7.52 3.38 -1.90 0.66 115.31 125.41 3i5u h LEU 245 Ca -0.06 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i5u h LEU 245 Cb 0.55 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3i5u h LEU 245 CO -0.04 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.80 3i5u n HIS 246 N -4.66 0.00 1.21 1.13 1.44 -1.26 -1.79 115.22 111.29 3i5u n HIS 246 Ca 0.21 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.05 3i5u n HIS 246 Cb 0.54 0.00 0.27 0.00 0.12 0.00 0.00 29.99 30.92 3i5u n HIS 246 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i5u n ASP 247 N -0.92 1.97 -4.31 4.39 8.00 0.22 -1.39 116.55 124.51 3i5u n ASP 247 Ca 0.13 -1.55 -0.17 0.00 0.71 0.00 0.00 54.79 53.92 3i5u n ASP 247 Cb 0.06 0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.17 3i5u n ASP 247 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i5u s TRP 248 N -2.18 1.53 0.90 1.24 0.52 -0.74 -4.36 118.94 115.85 3i5u s TRP 248 Ca 0.29 -0.68 -0.14 0.00 0.02 0.00 0.00 56.10 55.59 3i5u s TRP 248 Cb 0.20 -0.76 0.15 0.00 -1.15 0.00 0.00 33.47 31.92 3i5u s TRP 248 CO 0.40 0.22 1.26 0.16 0.02 0.00 0.00 176.95 179.01 3i5u s ASP 249 N -3.26 3.66 0.15 2.95 1.47 -1.23 -4.01 116.67 116.39 3i5u s ASP 249 Ca 0.21 0.44 -0.24 0.00 1.18 0.00 0.00 52.55 54.14 3i5u s ASP 249 Cb 0.01 -0.66 0.01 0.00 -0.34 0.00 0.00 42.92 41.95 3i5u s ASP 249 CO 0.05 -2.41 1.61 0.44 0.68 0.00 0.00 175.17 175.54 3i5u h ASP 250 N -1.40 -0.93 -0.41 2.11 3.32 -1.95 -0.83 116.42 116.33 3i5u h ASP 250 Ca -0.45 0.15 0.09 0.00 0.02 0.00 0.00 57.03 56.84 3i5u h ASP 250 Cb 1.27 0.42 -0.09 0.00 0.22 0.00 0.00 39.33 41.15 3i5u h ASP 250 CO 0.48 -0.32 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.36 3i5u h LEU 251 N -0.32 -0.85 -0.31 1.55 3.38 -2.00 -1.01 115.31 115.74 3i5u h LEU 251 Ca 0.12 0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 3i5u h LEU 251 Cb 0.51 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3i5u h LEU 251 CO -0.40 -0.27 0.00 0.28 0.09 0.00 0.00 178.44 178.14 3i5u h SER 252 N -0.18 0.54 -0.89 -0.43 0.02 -1.88 -2.15 113.55 108.58 3i5u h SER 252 Ca 0.19 -0.30 0.10 0.00 -0.84 0.00 0.00 61.79 60.94 3i5u h SER 252 Cb 0.49 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.82 3i5u h SER 252 CO -0.52 0.71 0.57 0.00 -1.14 0.00 0.00 176.83 176.46 3i5u h ALA 253 N 0.85 1.65 -0.26 3.77 0.00 -0.75 0.76 119.26 125.27 3i5u h ALA 253 Ca 0.09 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3i5u h ALA 253 Cb 0.43 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i5u h ALA 253 CO 0.02 0.17 -0.22 0.28 0.00 0.00 0.00 179.25 179.49 3i5u h VAL 254 N 0.87 1.31 -0.37 0.00 2.07 -1.05 -1.69 116.25 117.38 3i5u h VAL 254 Ca 0.41 -1.37 0.05 0.00 0.82 0.00 0.00 66.70 66.62 3i5u h VAL 254 Cb 0.42 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 3i5u h VAL 254 CO -0.18 0.43 0.08 0.00 0.02 0.00 0.00 177.57 177.93 3i5u h ALA 255 N 0.70 0.40 -0.21 1.67 0.00 -0.51 0.22 119.26 121.52 3i5u h ALA 255 Ca 0.05 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3i5u h ALA 255 Cb 0.77 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3i5u h ALA 255 CO 0.06 -0.32 0.07 0.82 0.00 0.00 0.00 179.25 179.88 3i5u h ILE 256 N 0.21 0.95 -0.30 0.00 2.04 -0.81 -2.25 117.51 117.34 3i5u h ILE 256 Ca 0.17 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 3i5u h ILE 256 Cb 0.19 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3i5u h ILE 256 CO -0.22 0.03 0.10 -0.07 0.00 0.00 0.00 178.15 177.99 3i5u h LEU 257 N 0.17 0.38 0.52 1.44 3.38 -0.83 -2.57 115.31 117.81 3i5u h LEU 257 Ca 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3i5u h LEU 257 Cb 0.06 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3i5u h LEU 257 CO -0.09 0.37 -0.25 0.03 0.09 0.00 0.00 178.44 178.59 3i5u h ARG 258 N 0.42 -0.67 -0.95 1.13 3.08 -0.40 0.71 114.38 117.71 3i5u h ARG 258 Ca 0.10 0.05 0.22 0.00 0.07 0.00 0.00 59.98 60.42 3i5u h ARG 258 Cb 0.13 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.25 3i5u h ARG 258 CO -0.01 -0.44 0.62 0.00 -1.07 0.00 0.00 179.97 179.07 3i5u h ARG 259 N -0.71 0.41 -0.07 0.04 2.47 -1.12 0.21 114.38 115.61 3i5u h ARG 259 Ca -0.07 -0.02 -0.23 0.00 -1.26 0.00 0.00 59.98 58.39 3i5u h ARG 259 Cb 0.54 -0.09 0.01 0.00 -1.65 0.00 0.00 29.97 28.78 3i5u h ARG 259 CO 0.12 0.27 -0.89 0.00 0.56 0.00 0.00 179.97 180.03 3i5u h ALA 261 N 0.58 -0.44 -0.34 0.00 0.00 0.17 -0.18 119.26 119.06 3i5u h ALA 261 Ca -0.08 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3i5u h ALA 261 Cb 1.52 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 3i5u h ALA 261 CO 0.17 -0.76 0.12 0.93 0.00 0.00 0.00 179.25 179.71 3i5u h GLU 262 N -0.45 0.25 -0.74 0.00 5.08 -1.03 0.19 114.58 117.88 3i5u h GLU 262 Ca -0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3i5u h GLU 262 Cb 0.37 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3i5u h GLU 262 CO 0.03 0.17 0.44 0.00 -1.00 0.00 0.00 179.01 178.65 3i5u h ALA 263 N 1.22 0.94 0.00 3.43 0.00 -1.16 -2.67 119.26 121.02 3i5u h ALA 263 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i5u h ALA 263 Cb 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3i5u h ALA 263 CO -0.16 0.41 -0.01 0.00 0.00 0.00 0.00 179.25 179.49 3i5u n ALA 264 N -2.33 2.29 -0.45 0.00 0.00 -0.10 -1.40 120.51 118.52 3i5u n ALA 264 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i5u n ALA 264 Cb 0.06 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3i5u n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 265 N 1.32 1.89 0.33 0.00 0.00 0.63 0.51 105.19 109.87 3i5u n GLY 265 Ca 0.06 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.84 3i5u n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i5u n SER 266 N -1.02 1.44 -0.00 1.61 3.41 -1.26 -4.27 113.62 113.53 3i5u n SER 266 Ca 0.00 -1.14 0.06 0.00 -0.26 0.00 0.00 58.87 57.53 3i5u n SER 266 Cb 0.00 0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 64.20 3i5u n SER 266 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i5u n GLY 267 N 1.39 -0.36 3.99 5.00 0.00 -1.08 -4.94 105.19 109.19 3i5u n GLY 267 Ca 0.10 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 3i5u n GLY 267 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i5u s GLY 268 N -2.79 1.86 -0.04 -0.02 0.00 0.18 -4.94 107.32 101.58 3i5u s GLY 268 Ca 0.00 -1.50 0.04 0.00 0.00 0.00 0.00 44.72 43.26 3i5u s GLY 268 CO 0.51 -1.23 -0.15 0.54 0.00 0.00 0.00 173.10 172.76 3i5u s VAL 269 N -2.63 1.28 -0.19 1.40 0.11 -0.40 -4.65 120.40 115.31 3i5u s VAL 269 Ca 0.57 -0.63 -0.12 0.00 -2.93 0.00 0.00 61.98 58.87 3i5u s VAL 269 Cb -0.10 -1.10 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 3i5u s VAL 269 CO 0.37 0.37 0.24 -0.69 -3.33 0.00 0.00 175.10 172.06 3i5u s VAL 270 N 0.08 5.33 -0.37 2.04 1.01 -0.20 -0.90 120.40 127.39 3i5u s VAL 270 Ca -0.04 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.35 3i5u s VAL 270 Cb -0.11 -3.58 0.10 0.00 0.00 0.00 0.00 36.38 32.80 3i5u s VAL 270 CO 0.02 0.38 0.12 -0.76 0.00 0.00 0.00 175.10 174.85 3i5u s LEU 271 N 0.67 4.97 -0.23 3.92 1.02 0.71 0.73 118.68 130.47 3i5u s LEU 271 Ca 0.13 -2.07 -0.26 0.00 0.02 0.00 0.00 54.13 51.95 3i5u s LEU 271 Cb -0.13 -1.73 -0.00 0.00 0.02 0.00 0.00 46.19 44.35 3i5u s LEU 271 CO 0.03 -0.45 0.88 -0.69 0.02 0.00 0.00 176.35 176.14 3i5u s VAL 272 N 1.03 4.80 -0.27 -1.59 1.01 -0.36 -1.33 120.40 123.69 3i5u s VAL 272 Ca 0.09 1.69 0.03 0.00 0.00 0.00 0.00 61.98 63.79 3i5u s VAL 272 Cb -0.21 -4.17 0.07 0.00 0.00 0.00 0.00 36.38 32.07 3i5u s VAL 272 CO -0.06 -0.09 -0.07 -0.63 0.00 0.00 0.00 175.10 174.25 3i5u s ILE 273 N 2.85 2.01 0.27 2.22 1.01 0.79 -0.47 121.20 129.88 3i5u s ILE 273 Ca 0.38 -1.65 -0.20 0.00 0.00 0.00 0.00 60.65 59.18 3i5u s ILE 273 Cb -0.15 -2.22 0.05 0.00 0.01 0.00 0.00 42.46 40.15 3i5u s ILE 273 CO 0.08 -0.15 0.85 -1.83 0.00 0.00 0.00 174.94 173.89 3i5u s GLU 274 N 1.15 1.73 -0.30 2.79 -1.05 -1.14 -0.58 118.70 121.30 3i5u s GLU 274 Ca -0.05 -1.04 -0.29 0.00 -0.15 0.00 0.00 54.97 53.44 3i5u s GLU 274 Cb -0.20 0.53 0.01 0.00 -0.44 0.00 0.00 34.13 34.04 3i5u s GLU 274 CO -0.06 -0.80 1.10 0.00 0.95 0.00 0.00 175.26 176.44 3i5u s ALA 275 N -2.94 3.52 0.11 -0.84 0.00 -1.26 -2.02 121.76 118.33 3i5u s ALA 275 Ca 0.15 0.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.94 3i5u s ALA 275 Cb -0.04 -3.66 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 3i5u s ALA 275 CO 0.07 -1.44 0.57 0.14 0.00 0.00 0.00 175.76 175.11 3i5u s VAL 276 N 3.64 4.77 0.07 0.00 -7.23 -1.26 -4.67 120.40 115.72 3i5u s VAL 276 Ca 0.46 1.10 -0.35 0.00 -1.81 0.00 0.00 61.98 61.38 3i5u s VAL 276 Cb -0.13 -3.84 -0.15 0.00 0.56 0.00 0.00 36.38 32.82 3i5u s VAL 276 CO 0.15 0.43 1.53 0.00 -0.31 0.00 0.00 175.10 176.90 3i5u n ALA 277 N 1.36 0.31 -0.23 1.32 0.00 -0.48 -4.61 120.51 118.18 3i5u n ALA 277 Ca -0.08 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3i5u n ALA 277 Cb 0.51 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3i5u n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 278 N 3.24 1.61 0.00 0.00 0.00 -1.26 -4.65 105.19 104.13 3i5u n GLY 278 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3i5u n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5u n ALA 282 N -1.12 -1.18 -3.00 4.61 0.00 -1.26 -5.17 120.51 113.39 3i5u n ALA 282 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i5u n ALA 282 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3i5u n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 283 N 0.00 5.39 0.36 0.00 0.00 -1.26 -4.79 105.19 104.88 3i5u n GLY 283 Ca 0.00 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.83 3i5u n GLY 283 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i5u h THR 284 N 0.00 0.66 -0.02 2.61 1.35 -2.02 -2.02 112.91 113.48 3i5u h THR 284 Ca 0.00 -0.24 0.03 0.00 -0.55 0.00 0.00 66.41 65.64 3i5u h THR 284 Cb 0.00 -0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 66.29 3i5u h THR 284 CO 0.00 0.13 -0.14 1.23 -0.25 0.00 0.00 175.52 176.48 3i5u h GLY 285 N 0.70 -0.17 1.43 5.82 0.00 -2.00 -1.58 103.07 107.28 3i5u h GLY 285 Ca 0.59 0.17 -0.08 0.00 0.00 0.00 0.00 47.33 48.02 3i5u h GLY 285 CO -0.39 -0.14 -0.06 1.98 0.00 0.00 0.00 176.54 177.92 3i5u h MET 286 N -0.23 0.69 -0.66 4.80 -1.53 -1.85 -2.51 114.93 113.63 3i5u h MET 286 Ca 0.06 -0.20 -0.00 0.00 -3.44 0.00 0.00 59.70 56.11 3i5u h MET 286 Cb 0.31 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 31.25 3i5u h MET 286 CO -0.15 0.75 0.40 0.22 0.14 0.00 0.00 176.91 178.26 3i5u h ASP 287 N 0.64 0.80 0.59 1.39 3.58 -0.93 -0.17 116.42 122.33 3i5u h ASP 287 Ca 0.12 -0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.40 3i5u h ASP 287 Cb 0.49 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 3i5u h ASP 287 CO 0.03 0.63 -0.51 -0.07 -2.88 0.00 0.00 179.24 176.43 3i5u h LEU 288 N 0.90 0.00 -0.34 2.28 3.38 -1.15 -2.05 115.31 118.34 3i5u h LEU 288 Ca 0.24 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 3i5u h LEU 288 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3i5u h LEU 288 CO -0.04 0.51 -0.24 -0.09 0.09 0.00 0.00 178.44 178.67 3i5u h ARG 289 N 0.00 0.75 -0.77 1.13 2.43 -0.95 0.14 114.38 117.12 3i5u h ARG 289 Ca -0.01 -0.36 -0.03 0.00 -0.81 0.00 0.00 59.98 58.78 3i5u h ARG 289 Cb 0.95 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.46 3i5u h ARG 289 CO 0.07 0.98 0.38 0.52 -1.51 0.00 0.00 179.97 180.40 3i5u h MET 290 N 0.53 1.09 -0.08 0.20 2.86 -0.85 0.19 114.93 118.87 3i5u h MET 290 Ca 0.07 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3i5u h MET 290 Cb 0.80 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 3i5u h MET 290 CO 0.06 0.83 0.03 1.25 1.06 0.00 0.00 176.91 180.15 3i5u h LEU 291 N 1.08 0.11 -0.74 1.22 5.85 -1.13 0.51 115.31 122.22 3i5u h LEU 291 Ca 0.27 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 3i5u h LEU 291 Cb 0.10 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3i5u h LEU 291 CO -0.04 0.24 -0.59 0.71 -0.34 0.00 0.00 178.44 178.43 3i5u h THR 292 N -0.03 1.34 0.03 1.05 1.35 -0.54 -0.22 112.91 115.88 3i5u h THR 292 Ca 0.03 -2.08 -0.00 0.00 -0.55 0.00 0.00 66.41 63.81 3i5u h THR 292 Cb 0.17 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3i5u h THR 292 CO -0.00 0.58 -0.01 1.88 -0.25 0.00 0.00 175.52 177.71 3i5u h TYR 293 N 0.00 -0.04 0.00 4.73 -1.99 -0.59 0.16 116.97 119.24 3i5u h TYR 293 Ca -0.01 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3i5u h TYR 293 Cb 1.10 0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.83 3i5u h TYR 293 CO 0.00 0.64 -0.44 1.97 -0.00 0.00 0.00 178.16 180.34 3i5u n PHE 294 N -4.76 0.00 -2.47 4.88 1.16 -0.83 -4.48 117.46 110.96 3i5u n PHE 294 Ca -0.09 -0.02 -0.14 0.00 -1.87 0.00 0.00 57.45 55.33 3i5u n PHE 294 Cb 0.34 -0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.22 3i5u n PHE 294 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i5u n GLY 295 N 0.02 -0.17 0.00 4.97 0.00 -0.09 -4.61 105.19 105.31 3i5u n GLY 295 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3i5u n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5u n GLY 296 N -1.12 -1.30 3.55 -0.02 0.00 0.17 -3.55 105.19 102.93 3i5u n GLY 296 Ca -0.13 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3i5u n GLY 296 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i5u s LYS 297 N -1.79 0.26 0.15 1.61 2.20 -0.49 -3.79 119.74 117.89 3i5u s LYS 297 Ca 0.00 0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 55.81 3i5u s LYS 297 Cb 0.00 0.15 -0.07 0.00 -1.51 0.00 0.00 37.83 36.39 3i5u s LYS 297 CO 0.00 -0.06 1.14 -1.21 -0.36 0.00 0.00 175.35 174.86 3i5u s GLU 298 N 1.60 4.53 0.20 4.03 2.02 -1.26 -4.38 118.70 125.44 3i5u s GLU 298 Ca -0.06 1.76 0.11 0.00 0.02 0.00 0.00 54.97 56.80 3i5u s GLU 298 Cb -0.04 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 3i5u s GLU 298 CO -0.14 -0.04 -0.22 1.03 0.02 0.00 0.00 175.26 175.90 3i5u s ARG 299 N 0.01 1.59 0.52 1.61 0.52 -1.26 -4.78 118.95 117.16 3i5u s ARG 299 Ca 0.52 -1.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.19 3i5u s ARG 299 Cb -0.30 -1.87 0.01 0.00 0.52 0.00 0.00 34.95 33.32 3i5u s ARG 299 CO 0.34 0.39 0.77 -1.54 0.02 0.00 0.00 175.30 175.28 3i5u s SER 300 N -2.80 5.57 0.38 0.23 1.04 -1.26 -1.38 113.70 115.48 3i5u s SER 300 Ca 0.22 0.32 0.10 0.00 0.48 0.00 0.00 55.95 57.06 3i5u s SER 300 Cb -0.08 -1.38 0.85 0.00 0.10 0.00 0.00 66.02 65.52 3i5u s SER 300 CO 0.11 -0.95 1.91 -0.07 0.98 0.00 0.00 173.24 175.22 3i5u h LEU 301 N 0.13 0.59 -0.15 2.42 -0.00 -1.96 -0.08 115.31 116.25 3i5u h LEU 301 Ca -0.45 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.43 3i5u h LEU 301 Cb 1.27 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.83 3i5u h LEU 301 CO 0.57 0.33 0.01 0.00 -0.00 0.00 0.00 178.44 179.35 3i5u h ALA 302 N 1.61 0.21 -0.13 1.53 0.00 -1.98 -1.40 119.26 119.09 3i5u h ALA 302 Ca 0.38 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3i5u h ALA 302 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3i5u h ALA 302 CO -0.15 -0.11 -0.19 0.93 0.00 0.00 0.00 179.25 179.74 3i5u h GLU 303 N 0.02 0.22 -0.25 0.00 5.08 -1.60 -1.16 114.58 116.89 3i5u h GLU 303 Ca 0.04 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 3i5u h GLU 303 Cb 0.35 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3i5u h GLU 303 CO 0.01 0.41 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.02 3i5u h LEU 304 N 0.21 0.72 -1.46 1.33 3.38 -0.99 -2.55 115.31 115.95 3i5u h LEU 304 Ca 0.04 -0.50 0.06 0.00 0.09 0.00 0.00 57.88 57.56 3i5u h LEU 304 Cb 0.46 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3i5u h LEU 304 CO 0.03 1.08 0.43 1.23 0.09 0.00 0.00 178.44 181.31 3i5u h GLY 305 N 0.38 0.83 1.01 0.83 0.00 -0.69 0.22 103.07 105.65 3i5u h GLY 305 Ca 0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 3i5u h GLY 305 CO 0.08 0.20 -0.10 -2.09 0.00 0.00 0.00 176.54 174.63 3i5u h GLU 306 N 0.67 0.84 -0.01 4.80 4.57 -0.99 -1.62 114.58 122.84 3i5u h GLU 306 Ca 0.28 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3i5u h GLU 306 Cb 0.26 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3i5u h GLU 306 CO -0.09 0.95 0.00 -0.07 -1.18 0.00 0.00 179.01 178.63 3i5u h LEU 307 N 0.67 0.01 -0.91 1.64 3.38 -0.77 -2.70 115.31 116.64 3i5u h LEU 307 Ca 0.11 -0.22 0.18 0.00 0.09 0.00 0.00 57.88 58.04 3i5u h LEU 307 Cb 0.64 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.28 3i5u h LEU 307 CO 0.04 0.23 0.48 0.00 0.09 0.00 0.00 178.44 179.29 3i5u h ALA 308 N 0.78 1.45 -0.13 1.53 0.00 -0.53 -0.74 119.26 121.63 3i5u h ALA 308 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3i5u h ALA 308 Cb 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3i5u h ALA 308 CO 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 179.25 179.07 3i5u h ALA 309 N 1.63 0.09 0.00 0.00 0.00 -0.98 0.44 119.26 120.44 3i5u h ALA 309 Ca 0.53 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 3i5u h ALA 309 Cb 0.86 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3i5u h ALA 309 CO -0.42 -0.47 -0.02 1.96 0.00 0.00 0.00 179.25 180.30 3i5u h GLN 310 N 0.01 0.00 -0.30 0.00 4.20 -0.90 -0.90 115.11 117.22 3i5u h GLN 310 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3i5u h GLN 310 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3i5u h GLN 310 CO -0.12 0.02 0.00 0.00 -0.67 0.00 0.00 178.83 178.06 3i5u n ALA 311 N -2.16 2.45 -1.00 3.87 0.00 -0.48 -4.94 120.51 118.26 3i5u n ALA 311 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3i5u n ALA 311 Cb 0.14 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3i5u n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5u n GLY 312 N 1.39 0.45 3.69 0.00 0.00 -0.34 -4.61 105.19 105.76 3i5u n GLY 312 Ca 0.18 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 3i5u n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i5u s LEU 313 N 0.00 2.62 -0.10 0.99 1.43 0.14 -0.85 118.68 122.91 3i5u s LEU 313 Ca 0.00 -1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 51.50 3i5u s LEU 313 Cb 0.00 -0.84 0.03 0.00 0.03 0.00 0.00 46.19 45.41 3i5u s LEU 313 CO 0.00 -0.64 0.30 0.00 0.23 0.00 0.00 176.35 176.25 3i5u s ALA 314 N -2.78 -0.76 0.08 4.21 0.00 0.10 -3.03 121.76 119.58 3i5u s ALA 314 Ca 0.22 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.67 3i5u s ALA 314 Cb 0.06 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 3i5u s ALA 314 CO 0.11 -0.16 1.27 0.08 0.00 0.00 0.00 175.76 177.07 3i5u s VAL 315 N -0.03 3.76 -0.07 0.00 1.01 -1.26 -1.00 120.40 122.81 3i5u s VAL 315 Ca -0.02 1.26 0.08 0.00 0.00 0.00 0.00 61.98 63.31 3i5u s VAL 315 Cb -0.03 -3.81 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 3i5u s VAL 315 CO 0.01 0.09 0.08 0.54 0.00 0.00 0.00 175.10 175.82 3i5u n ARG 316 N 3.99 1.94 -3.84 2.72 5.12 0.54 -4.95 116.66 122.18 3i5u n ARG 316 Ca 0.10 -0.03 -0.09 0.00 -1.93 0.00 0.00 57.85 55.90 3i5u n ARG 316 Cb 0.45 -1.23 -0.04 0.00 -1.16 0.00 0.00 32.46 30.48 3i5u n ARG 316 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i5u s ALA 317 N -2.34 -0.71 -0.35 7.54 0.00 -1.17 -5.01 121.76 119.72 3i5u s ALA 317 Ca -0.04 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.51 3i5u s ALA 317 Cb 0.04 0.91 0.18 0.00 0.00 0.00 0.00 23.12 24.25 3i5u s ALA 317 CO 0.38 -0.84 0.53 0.00 0.00 0.00 0.00 175.76 175.83 3i5u s ALA 318 N -3.93 -1.81 -0.33 0.00 0.00 -1.25 -1.75 121.76 112.70 3i5u s ALA 318 Ca 0.14 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.15 3i5u s ALA 318 Cb -0.01 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 3i5u s ALA 318 CO 0.02 -2.01 0.44 -1.01 0.00 0.00 0.00 175.76 173.19 3i5u s HIS 319 N 2.16 3.21 0.36 0.00 3.76 -0.62 -4.87 115.29 119.29 3i5u s HIS 319 Ca 0.13 0.19 -0.25 0.00 -0.15 0.00 0.00 55.06 54.98 3i5u s HIS 319 Cb -0.09 -2.76 -0.10 0.00 1.11 0.00 0.00 32.58 30.74 3i5u s HIS 319 CO -0.16 -0.43 0.97 -1.25 -0.85 0.00 0.00 174.74 173.03 3i5u s PRO 320 N 2.20 4.41 -0.25 8.40 0.04 -1.26 -0.68 135.00 147.86 3i5u s PRO 320 Ca 0.16 1.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.52 3i5u s PRO 320 Cb -0.16 -2.62 0.11 0.00 0.04 0.00 0.00 34.50 31.87 3i5u s PRO 320 CO 0.12 0.11 0.25 0.96 0.04 0.00 0.00 177.00 178.48 3i5u s ILE 321 N -1.73 -0.35 0.00 0.56 -4.36 0.63 -4.92 121.20 111.04 3i5u s ILE 321 Ca 0.54 -0.31 0.00 0.00 -0.26 0.00 0.00 60.65 60.62 3i5u s ILE 321 Cb -0.18 -0.83 0.00 0.00 1.25 0.00 0.00 42.46 42.70 3i5u s ILE 321 CO 0.23 -0.35 0.00 -1.20 0.24 0.00 0.00 174.94 173.86 3i5u n SER 322 N 5.31 0.00 -0.24 4.36 7.64 -1.26 -2.47 113.62 126.97 3i5u n SER 322 Ca -0.04 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.77 3i5u n SER 322 Cb 0.48 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.72 3i5u n SER 322 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3i5u h TYR 323 N 0.00 1.09 -3.12 1.43 -1.99 -1.91 -3.45 116.97 109.01 3i5u h TYR 323 Ca 0.00 -0.12 -0.46 0.00 2.00 0.00 0.00 58.73 60.15 3i5u h TYR 323 Cb 0.00 -0.31 0.04 0.00 2.00 0.00 0.00 36.73 38.46 3i5u h TYR 323 CO 0.00 0.88 0.03 0.08 -0.00 0.00 0.00 178.16 179.15 3i5u s VAL 324 N -5.38 3.73 0.10 -2.88 1.01 -1.03 -4.24 120.40 111.71 3i5u s VAL 324 Ca -0.12 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.61 3i5u s VAL 324 Cb 0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3i5u s VAL 324 CO 0.83 -0.36 -0.13 -0.44 0.00 0.00 0.00 175.10 175.00 3i5u s SER 325 N -4.27 1.79 -0.35 3.32 0.01 -0.85 -0.27 113.70 113.07 3i5u s SER 325 Ca 0.51 -0.77 -0.07 0.00 1.31 0.00 0.00 55.95 56.94 3i5u s SER 325 Cb -0.10 -0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.12 3i5u s SER 325 CO 0.41 -0.16 0.13 -0.63 0.41 0.00 0.00 173.24 173.41 3i5u s ILE 326 N -2.01 3.94 -0.46 1.44 1.01 0.14 -2.87 121.20 122.38 3i5u s ILE 326 Ca 0.06 -1.12 -0.17 0.00 0.00 0.00 0.00 60.65 59.42 3i5u s ILE 326 Cb -0.06 -3.24 0.05 0.00 0.01 0.00 0.00 42.46 39.22 3i5u s ILE 326 CO 0.02 -0.22 0.48 -0.69 0.00 0.00 0.00 174.94 174.53 3i5u s VAL 327 N 1.43 5.07 -0.31 2.92 1.01 0.38 -1.58 120.40 129.31 3i5u s VAL 327 Ca -0.01 -0.58 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 3i5u s VAL 327 Cb -0.20 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.05 3i5u s VAL 327 CO 0.03 -0.58 0.87 -0.70 0.00 0.00 0.00 175.10 174.73 3i5u s GLU 328 N 2.15 4.00 0.12 2.72 2.12 -0.71 -1.22 118.70 127.87 3i5u s GLU 328 Ca 0.11 0.74 0.07 0.00 0.36 0.00 0.00 54.97 56.25 3i5u s GLU 328 Cb -0.20 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.43 3i5u s GLU 328 CO 0.11 -0.74 -0.06 -1.64 -0.54 0.00 0.00 175.26 172.40 3i5u s MET 329 N 3.15 2.27 0.04 4.30 -1.94 0.22 -0.34 119.30 127.00 3i5u s MET 329 Ca 0.36 -1.01 -0.02 0.00 -1.71 0.00 0.00 55.69 53.31 3i5u s MET 329 Cb -0.14 -2.36 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 3i5u s MET 329 CO 0.13 0.50 -0.00 0.99 -0.01 0.00 0.00 175.02 176.63 3i5u s THR 330 N -1.36 0.16 0.36 2.05 2.01 -0.17 -1.03 115.64 117.65 3i5u s THR 330 Ca 0.24 -1.32 -0.28 0.00 0.31 0.00 0.00 61.69 60.63 3i5u s THR 330 Cb -0.11 -0.93 -0.12 0.00 0.01 0.00 0.00 72.50 71.36 3i5u s THR 330 CO 0.16 -0.73 1.42 0.00 -0.69 0.00 0.00 174.62 174.78 3i5u n ALA 331 N 0.79 2.00 0.57 7.40 0.00 -1.26 0.03 120.51 130.03 3i5u n ALA 331 Ca -0.19 0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.65 3i5u n ALA 331 Cb 0.58 -2.36 0.27 0.00 0.00 0.00 0.00 19.45 17.94 3i5u n ALA 331 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78