#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3h s ASP 63 N 0.00 6.38 0.17 3.54 2.15 -1.26 -4.90 116.67 122.75 2w3h s ASP 63 Ca 0.00 0.28 -0.11 0.00 0.43 0.00 0.00 52.55 53.15 2w3h s ASP 63 Cb 0.00 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 40.14 2w3h s ASP 63 CO 0.00 -1.51 1.68 0.25 -0.17 0.00 0.00 175.17 175.42 2w3h h LEU 64 N 12.16 0.92 -0.22 -1.34 5.85 -1.99 -1.99 115.31 128.70 2w3h h LEU 64 Ca -0.25 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.27 2w3h h LEU 64 Cb 1.07 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 2w3h h LEU 64 CO 1.17 0.93 -0.04 -0.08 -0.34 0.00 0.00 178.44 180.08 2w3h h GLU 65 N 0.88 0.02 -0.92 1.25 4.81 -1.99 0.51 114.58 119.13 2w3h h GLU 65 Ca 0.19 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2w3h h GLU 65 Cb 0.38 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 2w3h h GLU 65 CO 0.01 0.01 0.60 0.00 -0.73 0.00 0.00 179.01 178.90 2w3h h ALA 66 N 1.21 1.19 -0.27 2.92 0.00 -1.94 -0.63 119.26 121.75 2w3h h ALA 66 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2w3h h ALA 66 Cb 0.16 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2w3h h ALA 66 CO -0.22 0.51 0.13 1.15 0.00 0.00 0.00 179.25 180.83 2w3h h THR 67 N 1.20 1.14 -0.49 0.00 2.02 -0.76 -0.94 112.91 115.09 2w3h h THR 67 Ca 0.35 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 2w3h h THR 67 Cb -0.06 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2w3h h THR 67 CO -0.10 0.15 -0.07 -0.07 0.37 0.00 0.00 175.52 175.79 2w3h h LEU 68 N 0.31 0.85 -0.82 2.58 3.38 -0.60 -2.16 115.31 118.86 2w3h h LEU 68 Ca 0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2w3h h LEU 68 Cb 0.11 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2w3h h LEU 68 CO -0.01 0.96 0.39 -0.09 0.09 0.00 0.00 178.44 179.77 2w3h h ARG 69 N 0.79 1.18 -0.55 1.13 2.43 -0.69 -1.26 114.38 117.41 2w3h h ARG 69 Ca 0.14 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 2w3h h ARG 69 Cb 0.58 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2w3h h ARG 69 CO 0.04 0.92 0.10 0.00 -1.51 0.00 0.00 179.97 179.51 2w3h h ALA 70 N 1.20 0.73 -0.34 2.80 0.00 -0.82 -0.32 119.26 122.52 2w3h h ALA 70 Ca 0.28 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2w3h h ALA 70 Cb 0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2w3h h ALA 70 CO -0.03 0.47 0.11 0.82 0.00 0.00 0.00 179.25 180.61 2w3h h ILE 71 N 0.80 0.89 -0.43 0.00 1.08 -0.93 -0.32 117.51 118.61 2w3h h ILE 71 Ca 0.17 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 2w3h h ILE 71 Cb 0.40 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 2w3h h ILE 71 CO 0.01 0.04 0.27 0.58 -0.69 0.00 0.00 178.15 178.36 2w3h h VAL 72 N 0.25 1.13 -0.43 1.67 2.07 -0.88 -0.16 116.25 119.89 2w3h h VAL 72 Ca 0.15 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.49 2w3h h VAL 72 Cb 0.14 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 2w3h h VAL 72 CO -0.17 0.12 0.02 -0.74 0.02 0.00 0.00 177.57 176.83 2w3h h HIS 73 N 0.57 0.01 -0.23 1.57 -0.00 -0.77 -0.48 115.15 115.82 2w3h h HIS 73 Ca 0.15 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 2w3h h HIS 73 Cb -0.03 0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 2w3h h HIS 73 CO -0.04 -0.07 0.15 0.77 -0.00 0.00 0.00 177.93 178.74 2w3h h SER 74 N 0.13 0.27 -0.43 3.26 0.02 -0.63 -2.46 113.55 113.70 2w3h h SER 74 Ca 0.22 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 2w3h h SER 74 Cb 0.30 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2w3h h SER 74 CO -0.34 0.20 0.23 0.00 -1.14 0.00 0.00 176.83 175.78 2w3h h ALA 75 N 1.08 0.54 -0.40 3.77 0.00 -0.60 0.16 119.26 123.81 2w3h h ALA 75 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2w3h h ALA 75 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2w3h h ALA 75 CO -0.02 -0.12 0.24 1.79 0.00 0.00 0.00 179.25 181.14 2w3h h THR 76 N 0.46 1.13 0.05 0.00 1.35 -1.00 -2.56 112.91 112.33 2w3h h THR 76 Ca 0.18 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2w3h h THR 76 Cb 0.07 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 2w3h h THR 76 CO -0.12 0.13 -0.02 -1.28 -0.25 0.00 0.00 175.52 173.99 2w3h h SER 77 N 0.53 -0.05 0.12 5.36 0.87 -1.28 0.32 113.55 119.42 2w3h h SER 77 Ca 0.14 -0.28 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 2w3h h SER 77 Cb 0.01 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2w3h h SER 77 CO -0.03 0.25 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.30 2w3h h LEU 78 N -0.36 0.07 -2.93 2.23 3.38 -0.62 -2.28 115.31 114.79 2w3h h LEU 78 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2w3h h LEU 78 Cb 0.33 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2w3h h LEU 78 CO 0.01 0.23 0.00 1.33 0.09 0.00 0.00 178.44 180.10 2w3h n VAL 79 N -4.32 1.21 -3.81 1.22 0.24 -0.97 -5.01 118.33 106.89 2w3h n VAL 79 Ca -0.02 -1.12 -0.23 0.00 -2.04 0.00 0.00 64.34 60.93 2w3h n VAL 79 Cb 0.24 0.39 0.01 0.00 -1.47 0.00 0.00 33.84 33.01 2w3h n VAL 79 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2w3h n ASP 80 N 0.56 -0.77 -4.85 -1.34 8.00 -0.66 -4.83 116.55 112.65 2w3h n ASP 80 Ca 0.15 -0.90 -0.34 0.00 0.71 0.00 0.00 54.79 54.41 2w3h n ASP 80 Cb 0.53 -3.61 -0.06 0.00 -0.02 0.00 0.00 41.12 37.96 2w3h n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w3h s ALA 81 N -3.80 3.56 0.16 2.24 0.00 0.01 -0.34 121.76 123.59 2w3h s ALA 81 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.71 2w3h s ALA 81 Cb -0.00 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.63 2w3h s ALA 81 CO 0.85 0.46 1.49 -0.09 0.00 0.00 0.00 175.76 178.48 2w3h h ARG 82 N 3.14 0.82 -5.78 0.00 2.43 -1.11 -3.43 114.38 110.45 2w3h h ARG 82 Ca -0.48 -0.45 -0.53 0.00 -0.81 0.00 0.00 59.98 57.72 2w3h h ARG 82 Cb 1.18 0.02 -0.25 0.00 -0.42 0.00 0.00 29.97 30.50 2w3h h ARG 82 CO 0.67 1.08 -0.82 0.71 -1.51 0.00 0.00 179.97 180.10 2w3h s TYR 83 N -4.30 1.58 -0.02 2.20 2.02 -1.19 -4.13 117.35 113.51 2w3h s TYR 83 Ca -0.10 -0.36 -0.13 0.00 -0.37 0.00 0.00 57.07 56.10 2w3h s TYR 83 Cb 0.11 -0.94 0.02 0.00 -0.40 0.00 0.00 41.96 40.75 2w3h s TYR 83 CO 0.87 0.07 0.29 0.20 -1.57 0.00 0.00 175.55 175.41 2w3h s GLY 84 N -1.15 -0.14 0.04 0.71 0.00 -0.74 -2.01 107.32 104.03 2w3h s GLY 84 Ca 0.05 0.34 -0.09 0.00 0.00 0.00 0.00 44.72 45.01 2w3h s GLY 84 CO 0.02 0.15 0.20 0.00 0.00 0.00 0.00 173.10 173.46 2w3h s ALA 85 N -1.16 -0.37 -0.04 3.20 0.00 0.42 0.14 121.76 123.95 2w3h s ALA 85 Ca -0.12 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.58 2w3h s ALA 85 Cb -0.05 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.37 2w3h s ALA 85 CO 0.03 -0.36 -0.03 1.41 0.00 0.00 0.00 175.76 176.81 2w3h s MET 86 N -2.54 0.67 -0.07 0.00 1.75 0.91 -1.12 119.30 118.90 2w3h s MET 86 Ca -0.05 -0.07 -0.03 0.00 -1.25 0.00 0.00 55.69 54.29 2w3h s MET 86 Cb -0.01 -0.72 -0.04 0.00 2.84 0.00 0.00 34.83 36.91 2w3h s MET 86 CO -0.04 -0.08 0.05 -1.83 -0.65 0.00 0.00 175.02 172.48 2w3h s GLU 87 N 0.85 3.11 -0.08 4.11 4.04 -0.82 -1.50 118.70 128.41 2w3h s GLU 87 Ca -0.11 -0.36 0.01 0.00 0.04 0.00 0.00 54.97 54.55 2w3h s GLU 87 Cb -0.14 -2.90 0.02 0.00 0.02 0.00 0.00 34.13 31.13 2w3h s GLU 87 CO -0.00 0.71 -0.09 0.08 -1.84 0.00 0.00 175.26 174.11 2w3h s VAL 88 N -1.00 1.01 0.34 1.83 1.01 -0.15 -1.64 120.40 121.81 2w3h s VAL 88 Ca 0.16 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.88 2w3h s VAL 88 Cb -0.12 -0.98 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 2w3h s VAL 88 CO 0.06 0.34 -0.07 -1.38 0.00 0.00 0.00 175.10 174.05 2w3h s HIS 89 N 1.14 2.44 0.39 5.22 -3.43 -0.48 0.57 115.29 121.14 2w3h s HIS 89 Ca -0.06 -0.48 -0.01 0.00 -0.80 0.00 0.00 55.06 53.71 2w3h s HIS 89 Cb -0.14 -1.40 0.08 0.00 -1.43 0.00 0.00 32.58 29.68 2w3h s HIS 89 CO -0.02 0.56 0.53 -0.40 -2.00 0.00 0.00 174.74 173.41 2w3h n ASP 90 N -0.83 0.61 0.29 7.38 5.68 -0.28 -4.81 116.55 124.58 2w3h n ASP 90 Ca -0.05 -1.54 0.18 0.00 -0.50 0.00 0.00 54.79 52.88 2w3h n ASP 90 Cb 0.63 -0.35 0.83 0.00 -1.14 0.00 0.00 41.12 41.09 2w3h n ASP 90 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2w3h h ARG 91 N 0.00 0.00 -0.19 0.11 3.08 -1.97 -0.88 114.38 114.53 2w3h h ARG 91 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2w3h h ARG 91 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2w3h h ARG 91 CO 0.18 0.03 0.00 1.04 -1.07 0.00 0.00 179.97 180.15 2w3h n GLN 92 N -3.19 1.61 -1.21 0.04 3.00 -1.26 -4.90 117.38 111.47 2w3h n GLN 92 Ca -0.01 -0.92 -0.07 0.00 -0.01 0.00 0.00 57.00 55.99 2w3h n GLN 92 Cb 0.24 -1.31 -0.03 0.00 0.00 0.00 0.00 30.24 29.13 2w3h n GLN 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2w3h n HIS 93 N 0.18 0.00 -2.18 1.08 8.25 -0.34 -5.00 115.22 117.22 2w3h n HIS 93 Ca 0.13 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.18 2w3h n HIS 93 Cb 0.26 -1.86 -0.03 0.00 1.12 0.00 0.00 29.99 29.49 2w3h n HIS 93 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2w3h s ARG 94 N -2.26 4.39 -0.27 -0.41 3.52 -1.26 -4.75 118.95 117.90 2w3h s ARG 94 Ca 0.00 2.12 -0.29 0.00 -0.13 0.00 0.00 55.73 57.43 2w3h s ARG 94 Cb 0.00 -3.14 -0.00 0.00 -1.56 0.00 0.00 34.95 30.25 2w3h s ARG 94 CO 0.00 -0.21 1.35 0.08 -0.81 0.00 0.00 175.30 175.72 2w3h s VAL 95 N -0.45 4.07 -0.16 7.11 1.01 -1.26 -1.13 120.40 129.59 2w3h s VAL 95 Ca 0.53 1.22 -0.07 0.00 0.00 0.00 0.00 61.98 63.66 2w3h s VAL 95 Cb -0.38 -4.06 -0.23 0.00 0.00 0.00 0.00 36.38 31.70 2w3h s VAL 95 CO 0.44 -0.42 0.23 0.18 0.00 0.00 0.00 175.10 175.53 2w3h n LEU 96 N 7.69 2.59 -3.83 3.92 4.77 0.19 -4.97 117.00 127.36 2w3h n LEU 96 Ca 0.15 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 2w3h n LEU 96 Cb 0.46 -1.06 -0.13 0.00 -2.33 0.00 0.00 43.42 40.36 2w3h n LEU 96 CO 0.63 0.80 -0.23 -1.00 -1.33 0.00 0.00 177.39 176.26 2w3h s HIS 97 N -2.53 -0.13 -0.14 -1.77 3.76 -0.53 -4.98 115.29 108.97 2w3h s HIS 97 Ca -0.26 0.31 -0.04 0.00 -0.15 0.00 0.00 55.06 54.93 2w3h s HIS 97 Cb 0.07 0.04 0.06 0.00 1.11 0.00 0.00 32.58 33.86 2w3h s HIS 97 CO 0.71 -0.07 0.12 0.12 -0.85 0.00 0.00 174.74 174.77 2w3h s PHE 98 N 0.04 0.03 0.11 1.40 5.36 -1.26 -0.98 117.98 122.68 2w3h s PHE 98 Ca -0.00 0.02 0.07 0.00 -0.96 0.00 0.00 56.93 56.07 2w3h s PHE 98 Cb -0.01 -0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 42.10 2w3h s PHE 98 CO 0.00 -0.43 -0.18 0.08 -1.46 0.00 0.00 175.22 173.23 2w3h s VAL 99 N 2.20 1.58 0.26 3.12 1.01 -0.56 -4.99 120.40 123.01 2w3h s VAL 99 Ca 0.04 -1.58 -0.17 0.00 0.00 0.00 0.00 61.98 60.27 2w3h s VAL 99 Cb -0.15 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2w3h s VAL 99 CO -0.08 -0.17 0.59 -0.72 0.00 0.00 0.00 175.10 174.71 2w3h s TYR 100 N -1.44 0.11 -0.04 5.22 -0.85 -1.26 -0.06 117.35 119.02 2w3h s TYR 100 Ca 0.07 -0.51 -0.12 0.00 -0.52 0.00 0.00 57.07 55.99 2w3h s TYR 100 Cb -0.09 0.42 0.02 0.00 0.38 0.00 0.00 41.96 42.70 2w3h s TYR 100 CO 0.04 -1.10 0.26 -2.00 -1.52 0.00 0.00 175.55 171.23 2w3h s GLU 101 N -3.97 0.52 0.00 -3.49 2.56 0.12 -4.92 118.70 109.52 2w3h s GLU 101 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.97 55.10 2w3h s GLU 101 Cb -0.03 0.23 0.00 0.00 2.00 0.00 0.00 34.13 36.33 2w3h s GLU 101 CO 0.08 -0.12 0.00 0.41 -0.56 0.00 0.00 175.26 175.07 2w3h n GLY 102 N 1.86 0.36 3.10 -1.50 0.00 -1.26 -1.79 105.19 105.96 2w3h n GLY 102 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2w3h n GLY 102 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2w3h s ILE 103 N -2.02 1.58 0.56 -0.61 2.07 -1.26 -4.87 121.20 116.65 2w3h s ILE 103 Ca 0.00 -0.72 -0.18 0.00 -1.41 0.00 0.00 60.65 58.34 2w3h s ILE 103 Cb 0.00 -1.42 -0.05 0.00 0.13 0.00 0.00 42.46 41.12 2w3h s ILE 103 CO 0.00 0.46 1.07 1.51 -1.91 0.00 0.00 174.94 176.07 2w3h s ASP 104 N 0.72 5.88 0.43 4.50 -4.77 -1.26 -4.87 116.67 117.31 2w3h s ASP 104 Ca -0.12 1.94 0.11 0.00 -3.30 0.00 0.00 52.55 51.18 2w3h s ASP 104 Cb -0.16 -2.55 0.94 0.00 -1.09 0.00 0.00 42.92 40.06 2w3h s ASP 104 CO 0.03 -1.10 2.00 -0.08 0.70 0.00 0.00 175.17 176.72 2w3h h GLU 105 N 0.90 0.20 -0.40 2.11 4.57 -2.00 -1.53 114.58 118.42 2w3h h GLU 105 Ca -0.48 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 57.52 2w3h h GLU 105 Cb 1.23 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 2w3h h GLU 105 CO 0.57 0.26 -0.33 1.49 -1.18 0.00 0.00 179.01 179.82 2w3h h GLU 106 N 0.19 0.91 -0.27 1.92 4.81 -1.99 -1.77 114.58 118.38 2w3h h GLU 106 Ca 0.05 -0.45 -0.02 0.00 -0.13 0.00 0.00 59.36 58.81 2w3h h GLU 106 Cb 0.21 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2w3h h GLU 106 CO 0.01 1.10 0.08 1.15 -0.73 0.00 0.00 179.01 180.61 2w3h h THR 107 N 0.76 1.21 -0.51 0.32 2.02 -1.69 -1.90 112.91 113.11 2w3h h THR 107 Ca 0.08 -0.66 0.10 0.00 0.77 0.00 0.00 66.41 66.69 2w3h h THR 107 Cb 0.91 1.13 -0.10 0.00 -1.74 0.00 0.00 68.15 68.35 2w3h h THR 107 CO 0.08 0.22 -0.14 0.58 0.37 0.00 0.00 175.52 176.63 2w3h h VAL 108 N 0.27 0.47 -0.62 3.16 2.07 -1.21 0.30 116.25 120.69 2w3h h VAL 108 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 2w3h h VAL 108 Cb 0.26 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2w3h h VAL 108 CO -0.00 0.00 0.35 -0.09 0.02 0.00 0.00 177.57 177.84 2w3h h ARG 109 N -0.01 0.64 -0.70 1.57 9.65 -1.18 -2.13 114.38 122.22 2w3h h ARG 109 Ca 0.25 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 59.02 2w3h h ARG 109 Cb 0.39 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 2w3h h ARG 109 CO -0.54 0.42 0.15 0.00 2.80 0.00 0.00 179.97 182.80 2w3h h ARG 110 N 0.65 1.13 -0.73 0.20 3.08 -0.40 -2.55 114.38 115.77 2w3h h ARG 110 Ca 0.27 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 60.07 2w3h h ARG 110 Cb 0.14 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2w3h h ARG 110 CO -0.16 1.01 0.46 0.82 -1.07 0.00 0.00 179.97 181.03 2w3h h ILE 111 N 1.06 1.11 0.00 2.04 2.04 -0.60 -3.46 117.51 119.70 2w3h h ILE 111 Ca 0.22 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2w3h h ILE 111 Cb 0.40 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2w3h h ILE 111 CO 0.01 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.93 2w3h n GLY 112 N -1.30 1.58 3.76 5.37 0.00 -0.83 -4.93 105.19 108.84 2w3h n GLY 112 Ca 0.08 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2w3h n GLY 112 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2w3h n HIS 113 N 0.00 2.94 -1.39 1.61 8.25 -1.26 -4.92 115.22 120.45 2w3h n HIS 113 Ca 0.00 0.37 -0.33 0.00 -0.26 0.00 0.00 57.72 57.50 2w3h n HIS 113 Cb 0.00 -2.56 0.09 0.00 1.12 0.00 0.00 29.99 28.64 2w3h n HIS 113 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2w3h s LEU 114 N -1.43 3.23 0.54 2.41 1.43 -1.26 -4.97 118.68 118.63 2w3h s LEU 114 Ca 0.57 2.15 -0.21 0.00 -1.03 0.00 0.00 54.13 55.61 2w3h s LEU 114 Cb -0.48 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.12 2w3h s LEU 114 CO 0.58 -2.17 1.26 -2.16 0.23 0.00 0.00 176.35 174.09 2w3h s PRO 115 N -4.22 3.22 0.00 1.29 0.04 -1.26 -4.93 135.00 129.14 2w3h s PRO 115 Ca 0.69 2.00 0.20 0.00 0.04 0.00 0.00 61.00 63.93 2w3h s PRO 115 Cb -0.24 -2.18 0.10 0.00 0.04 0.00 0.00 34.50 32.22 2w3h s PRO 115 CO 0.48 -1.06 1.07 1.63 0.04 0.00 0.00 177.00 179.16 2w3h n LYS 116 N -1.09 1.68 -1.92 4.56 5.02 -1.26 -4.98 118.16 120.17 2w3h n LYS 116 Ca 0.11 -1.42 0.00 0.00 -2.02 0.00 0.00 58.31 54.98 2w3h n LYS 116 Cb 0.47 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 2w3h n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w3h n GLY 117 N 1.18 0.52 2.04 0.72 0.00 -1.26 -4.94 105.19 103.44 2w3h n GLY 117 Ca 0.10 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 2w3h n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2w3h n LEU 118 N -0.86 0.00 0.00 0.99 4.77 -1.26 -3.26 117.00 117.38 2w3h n LEU 118 Ca 0.00 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 2w3h n LEU 118 Cb 0.46 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2w3h n LEU 118 CO 0.00 -0.52 0.00 0.61 -1.33 0.00 0.00 177.39 176.15 2w3h n GLY 119 N 1.38 2.48 0.21 -0.72 0.00 -1.26 -1.17 105.19 106.11 2w3h n GLY 119 Ca 0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 2w3h n GLY 119 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2w3h h VAL 120 N 0.00 1.04 -0.82 1.61 2.07 -1.92 0.16 116.25 118.39 2w3h h VAL 120 Ca 0.00 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2w3h h VAL 120 Cb 0.00 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 2w3h h VAL 120 CO 0.00 0.11 0.38 0.40 0.02 0.00 0.00 177.57 178.48 2w3h h ILE 121 N 0.61 1.26 -0.90 4.57 1.08 -1.89 -1.77 117.51 120.48 2w3h h ILE 121 Ca 0.22 -0.74 0.15 0.00 -0.39 0.00 0.00 64.86 64.10 2w3h h ILE 121 Cb 0.04 0.22 -0.07 0.00 -3.07 0.00 0.00 36.82 33.94 2w3h h ILE 121 CO -0.10 0.31 0.58 1.23 -0.69 0.00 0.00 178.15 179.48 2w3h h GLY 122 N 1.19 1.18 1.00 5.37 0.00 0.08 0.92 103.07 112.80 2w3h h GLY 122 Ca 0.28 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2w3h h GLY 122 CO -0.03 0.07 0.21 -2.00 0.00 0.00 0.00 176.54 174.78 2w3h h LEU 123 N 0.65 0.85 -0.44 3.11 5.85 -0.13 -1.65 115.31 123.54 2w3h h LEU 123 Ca 0.46 -0.19 -0.17 0.00 0.84 0.00 0.00 57.88 58.82 2w3h h LEU 123 Cb 0.80 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2w3h h LEU 123 CO -0.21 0.81 -0.78 -0.07 -0.34 0.00 0.00 178.44 177.85 2w3h h LEU 124 N 0.83 0.06 -0.86 2.25 3.38 -0.89 0.80 115.31 120.89 2w3h h LEU 124 Ca 0.19 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2w3h h LEU 124 Cb 0.25 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2w3h h LEU 124 CO -0.01 0.82 0.09 0.40 0.09 0.00 0.00 178.44 179.82 2w3h h ILE 125 N 0.03 1.25 0.16 1.22 2.04 -0.76 -1.61 117.51 119.84 2w3h h ILE 125 Ca -0.01 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 2w3h h ILE 125 Cb 1.37 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2w3h h ILE 125 CO 0.11 0.36 -0.08 -0.08 0.00 0.00 0.00 178.15 178.45 2w3h h GLU 126 N 0.89 -0.21 -3.13 2.37 4.81 -0.98 -3.39 114.58 114.94 2w3h h GLU 126 Ca 0.18 0.01 -0.62 0.00 -0.13 0.00 0.00 59.36 58.80 2w3h h GLU 126 Cb 0.40 0.05 -0.40 0.00 0.63 0.00 0.00 28.75 29.42 2w3h h GLU 126 CO 0.01 0.18 -0.70 0.34 -0.73 0.00 0.00 179.01 178.12 2w3h s ASP 127 N -5.38 3.89 -0.28 1.04 2.15 0.25 -5.09 116.67 113.25 2w3h s ASP 127 Ca -0.14 -2.78 -0.29 0.00 0.43 0.00 0.00 52.55 49.77 2w3h s ASP 127 Cb 0.02 -1.26 -0.03 0.00 -0.30 0.00 0.00 42.92 41.35 2w3h s ASP 127 CO 0.57 -0.25 1.82 -2.84 -0.17 0.00 0.00 175.17 174.30 2w3h s PRO 128 N 0.10 3.43 0.12 4.34 0.02 -0.61 -4.43 135.00 137.97 2w3h s PRO 128 Ca 0.18 1.60 -0.25 0.00 0.02 0.00 0.00 61.00 62.54 2w3h s PRO 128 Cb -0.24 -4.19 0.07 0.00 0.02 0.00 0.00 34.50 30.16 2w3h s PRO 128 CO -0.00 -1.74 0.75 -1.59 -0.33 0.00 0.00 177.00 174.09 2w3h s LYS 129 N 5.50 1.19 0.55 5.54 -2.85 -1.26 -4.90 119.74 123.50 2w3h s LYS 129 Ca 0.81 -0.50 -0.21 0.00 -1.00 0.00 0.00 55.97 55.07 2w3h s LYS 129 Cb -0.25 0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 2w3h s LYS 129 CO 0.33 -0.53 1.25 -2.14 0.10 0.00 0.00 175.35 174.37 2w3h s PRO 130 N -3.51 3.20 -0.12 1.78 0.02 -1.26 -4.51 135.00 130.60 2w3h s PRO 130 Ca 0.05 1.96 -0.05 0.00 0.02 0.00 0.00 61.00 62.98 2w3h s PRO 130 Cb -0.02 -2.15 0.06 0.00 0.02 0.00 0.00 34.50 32.41 2w3h s PRO 130 CO -0.07 -1.06 0.27 -1.17 -0.33 0.00 0.00 177.00 174.64 2w3h s LEU 131 N -3.64 -0.07 -0.07 -5.54 2.96 -0.48 -5.01 118.68 106.83 2w3h s LEU 131 Ca 0.72 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 55.25 2w3h s LEU 131 Cb -0.34 0.76 -0.02 0.00 0.50 0.00 0.00 46.19 47.09 2w3h s LEU 131 CO 0.39 -0.21 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.94 2w3h s ARG 132 N 2.00 2.72 -0.02 1.98 0.52 -1.26 -1.03 118.95 123.86 2w3h s ARG 132 Ca -0.03 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 2w3h s ARG 132 Cb -0.11 -2.45 -0.00 0.00 0.52 0.00 0.00 34.95 32.91 2w3h s ARG 132 CO -0.09 0.53 -0.08 -0.51 0.02 0.00 0.00 175.30 175.17 2w3h s LEU 133 N -0.48 1.88 0.49 2.53 1.43 -0.47 -5.01 118.68 119.05 2w3h s LEU 133 Ca 0.06 -0.16 0.28 0.00 -1.03 0.00 0.00 54.13 53.28 2w3h s LEU 133 Cb -0.12 -0.46 1.03 0.00 0.03 0.00 0.00 46.19 46.67 2w3h s LEU 133 CO 0.02 0.08 1.86 0.44 0.23 0.00 0.00 176.35 178.98 2w3h h ASP 134 N 6.19 0.00 -0.91 2.29 5.19 -1.86 -0.21 116.42 127.10 2w3h h ASP 134 Ca -0.32 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2w3h h ASP 134 Cb 1.18 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.49 2w3h h ASP 134 CO 0.49 0.11 -0.38 -0.62 -3.12 0.00 0.00 179.24 175.72 2w3h s ASP 135 N -5.98 -1.44 0.50 6.45 2.15 -1.21 -3.59 116.67 113.54 2w3h s ASP 135 Ca 0.02 -0.37 0.18 0.00 0.43 0.00 0.00 52.55 52.80 2w3h s ASP 135 Cb 0.09 1.86 1.23 0.00 -0.30 0.00 0.00 42.92 45.79 2w3h s ASP 135 CO 0.60 -0.20 2.06 1.62 -0.17 0.00 0.00 175.17 179.09 2w3h h VAL 136 N 5.21 0.91 0.00 1.11 3.04 -1.04 -0.93 116.25 124.55 2w3h h VAL 136 Ca 0.02 -0.04 -0.04 0.00 -1.01 0.00 0.00 66.70 65.62 2w3h h VAL 136 Cb 1.19 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 2w3h h VAL 136 CO 0.10 0.02 -0.21 0.28 -1.01 0.00 0.00 177.57 176.75 2w3h h SER 137 N 0.13 0.00 1.27 3.17 0.02 -1.83 -2.81 113.55 113.50 2w3h h SER 137 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2w3h h SER 137 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2w3h h SER 137 CO -0.02 0.21 0.00 0.00 -1.14 0.00 0.00 176.83 175.88 2w3h h ALA 138 N 1.79 1.00 -2.78 3.77 0.00 -1.57 -3.45 119.26 118.02 2w3h h ALA 138 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2w3h h ALA 138 Cb 0.41 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.26 2w3h h ALA 138 CO 0.03 0.00 0.74 -1.58 0.00 0.00 0.00 179.25 178.43 2w3h s HIS 139 N -3.25 3.01 0.49 0.00 2.46 -1.06 -4.89 115.29 112.05 2w3h s HIS 139 Ca 0.07 1.11 0.20 0.00 0.47 0.00 0.00 55.06 56.91 2w3h s HIS 139 Cb 0.10 -3.80 1.25 0.00 -0.13 0.00 0.00 32.58 29.99 2w3h s HIS 139 CO 0.54 -2.51 2.00 -1.35 -2.47 0.00 0.00 174.74 170.94 2w3h h PRO 140 N 4.62 0.15 -0.00 2.88 0.11 -1.91 -1.39 132.00 136.47 2w3h h PRO 140 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2w3h h PRO 140 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2w3h h PRO 140 CO 0.75 0.10 -0.35 0.00 -0.21 0.00 0.00 178.00 178.29 2w3h n ALA 141 N -2.58 3.23 -1.70 -0.75 0.00 -1.26 -4.91 120.51 112.53 2w3h n ALA 141 Ca 0.09 -0.32 -0.44 0.00 0.00 0.00 0.00 53.44 52.77 2w3h n ALA 141 Cb 0.48 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 2w3h n ALA 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2w3h n SER 142 N -1.26 3.39 0.03 0.00 2.88 -0.53 -3.89 113.62 114.23 2w3h n SER 142 Ca 0.08 1.11 0.11 0.00 -1.33 0.00 0.00 58.87 58.84 2w3h n SER 142 Cb 0.33 -1.50 -0.11 0.00 -0.75 0.00 0.00 64.21 62.18 2w3h n SER 142 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2w3h n ILE 143 N 2.82 0.19 0.00 2.46 3.06 -1.26 -4.94 119.36 121.69 2w3h n ILE 143 Ca 0.13 -0.48 0.00 0.00 -2.50 0.00 0.00 62.75 59.90 2w3h n ILE 143 Cb 0.33 -0.05 0.00 0.00 0.54 0.00 0.00 39.64 40.45 2w3h n ILE 143 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2w3h n GLY 144 N 1.25 0.50 3.80 4.50 0.00 -1.26 -5.01 105.19 108.98 2w3h n GLY 144 Ca -0.02 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 2w3h n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2w3h s PHE 145 N -2.65 3.53 0.85 1.61 0.08 -1.26 -5.07 117.98 115.06 2w3h s PHE 145 Ca 0.00 1.62 -0.12 0.00 0.12 0.00 0.00 56.93 58.56 2w3h s PHE 145 Cb 0.00 -2.83 0.10 0.00 -0.57 0.00 0.00 43.02 39.72 2w3h s PHE 145 CO 0.00 0.10 1.10 -1.25 -0.10 0.00 0.00 175.22 175.07 2w3h s PRO 146 N -2.52 1.67 0.58 0.24 0.04 -1.26 -4.96 135.00 128.79 2w3h s PRO 146 Ca 0.54 0.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.07 2w3h s PRO 146 Cb -0.14 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2w3h s PRO 146 CO 0.19 -1.92 0.81 -2.30 0.04 0.00 0.00 177.00 173.82 2w3h n PRO 147 N -3.64 0.79 0.00 0.56 -0.02 -1.26 -2.39 135.00 129.03 2w3h n PRO 147 Ca 0.07 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2w3h n PRO 147 Cb 0.56 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2w3h n PRO 147 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2w3h n TYR 148 N -1.62 0.00 -2.31 6.00 4.01 -1.26 -4.56 117.16 117.42 2w3h n TYR 148 Ca 0.13 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.45 2w3h n TYR 148 Cb 0.47 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 2w3h n TYR 148 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2w3h s HIS 149 N -2.02 3.36 0.27 -0.72 2.46 -1.01 -4.71 115.29 112.92 2w3h s HIS 149 Ca 0.00 1.33 -0.30 0.00 0.47 0.00 0.00 55.06 56.56 2w3h s HIS 149 Cb 0.00 -3.50 -0.13 0.00 -0.13 0.00 0.00 32.58 28.82 2w3h s HIS 149 CO 0.00 -1.49 1.40 -2.30 -2.47 0.00 0.00 174.74 169.88 2w3h n PRO 150 N 2.66 2.13 -1.93 2.88 -0.02 -1.26 -4.94 135.00 134.51 2w3h n PRO 150 Ca 0.05 0.76 -0.38 0.00 -2.02 0.00 0.00 63.50 61.91 2w3h n PRO 150 Cb 0.44 -2.41 0.02 0.00 -0.02 0.00 0.00 33.50 31.53 2w3h n PRO 150 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2w3h s PRO 151 N -0.73 3.34 -0.00 0.52 0.04 -1.26 -5.04 135.00 131.86 2w3h s PRO 151 Ca 0.65 2.09 -0.05 0.00 0.04 0.00 0.00 61.00 63.73 2w3h s PRO 151 Cb -0.61 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.62 2w3h s PRO 151 CO 0.52 -0.99 0.10 -1.64 0.04 0.00 0.00 177.00 175.04 2w3h s MET 152 N -2.84 0.38 0.00 4.56 -1.94 -1.26 -5.08 119.30 113.13 2w3h s MET 152 Ca 0.69 -0.33 0.00 0.00 -1.71 0.00 0.00 55.69 54.34 2w3h s MET 152 Cb -0.37 0.16 0.00 0.00 2.01 0.00 0.00 34.83 36.63 2w3h s MET 152 CO 0.44 -0.08 0.00 -2.13 -0.01 0.00 0.00 175.02 173.23 2w3h n ARG 153 N 1.79 0.00 -2.09 2.03 0.63 -1.26 -4.65 116.66 113.11 2w3h n ARG 153 Ca -0.21 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.36 2w3h n ARG 153 Cb 0.56 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.49 2w3h n ARG 153 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2w3h s THR 154 N -0.20 2.78 -0.12 5.15 -4.23 -1.24 -0.50 115.64 117.28 2w3h s THR 154 Ca 0.00 0.51 -0.10 0.00 -1.18 0.00 0.00 61.69 60.92 2w3h s THR 154 Cb 0.00 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.65 2w3h s THR 154 CO 0.00 -0.08 0.31 0.12 -0.54 0.00 0.00 174.62 174.44 2w3h s PHE 155 N -1.59 -0.37 -0.03 3.99 5.36 -0.09 -1.05 117.98 124.19 2w3h s PHE 155 Ca 0.73 0.88 -0.01 0.00 -0.96 0.00 0.00 56.93 57.58 2w3h s PHE 155 Cb -0.30 0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.54 2w3h s PHE 155 CO 0.33 -0.19 0.03 -1.17 -1.46 0.00 0.00 175.22 172.76 2w3h s LEU 156 N 0.44 0.80 0.01 6.12 2.96 0.61 -1.37 118.68 128.25 2w3h s LEU 156 Ca -0.02 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2w3h s LEU 156 Cb -0.04 -0.18 -0.01 0.00 0.50 0.00 0.00 46.19 46.46 2w3h s LEU 156 CO -0.02 -0.16 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.00 2w3h s GLY 157 N 1.44 0.14 -0.00 7.98 0.00 -0.20 0.29 107.32 116.97 2w3h s GLY 157 Ca -0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 44.72 44.26 2w3h s GLY 157 CO -0.03 -0.37 0.17 -1.34 0.00 0.00 0.00 173.10 171.53 2w3h s VAL 158 N -0.82 0.08 0.53 1.40 -7.23 0.21 -1.38 120.40 113.19 2w3h s VAL 158 Ca -0.09 -0.64 -0.20 0.00 -1.81 0.00 0.00 61.98 59.24 2w3h s VAL 158 Cb -0.06 -0.47 -0.06 0.00 0.56 0.00 0.00 36.38 36.36 2w3h s VAL 158 CO -0.01 -0.35 1.16 -2.16 -0.31 0.00 0.00 175.10 173.44 2w3h s PRO 159 N -1.36 3.40 -0.41 4.82 0.04 -1.26 -0.71 135.00 139.53 2w3h s PRO 159 Ca -0.14 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 62.48 2w3h s PRO 159 Cb -0.07 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.38 2w3h s PRO 159 CO 0.02 -0.83 0.28 0.08 0.04 0.00 0.00 177.00 176.59 2w3h s VAL 160 N -1.66 5.08 0.19 -0.36 1.01 -0.26 -4.73 120.40 119.68 2w3h s VAL 160 Ca 0.71 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 2w3h s VAL 160 Cb -0.27 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.27 2w3h s VAL 160 CO 0.31 -0.32 0.43 0.00 0.00 0.00 0.00 175.10 175.52 2w3h s ARG 161 N 1.64 1.31 0.50 2.72 1.70 -1.26 -0.43 118.95 125.14 2w3h s ARG 161 Ca 0.04 -1.01 0.05 0.00 -0.47 0.00 0.00 55.73 54.34 2w3h s ARG 161 Cb -0.19 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 2w3h s ARG 161 CO 0.09 -0.53 0.25 0.14 -1.08 0.00 0.00 175.30 174.17 2w3h s VAL 162 N -3.92 1.67 0.26 4.99 -7.23 -0.34 -4.39 120.40 111.44 2w3h s VAL 162 Ca 0.13 -1.67 -0.02 0.00 -1.81 0.00 0.00 61.98 58.61 2w3h s VAL 162 Cb 0.01 -2.35 0.26 0.00 0.56 0.00 0.00 36.38 34.86 2w3h s VAL 162 CO -0.01 0.00 1.87 -0.09 -0.31 0.00 0.00 175.10 176.56 2w3h h ARG 163 N 1.06 1.07 0.00 4.82 2.43 -2.01 -2.84 114.38 118.92 2w3h h ARG 163 Ca -0.40 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 58.60 2w3h h ARG 163 Cb 1.29 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2w3h h ARG 163 CO 0.65 0.71 -0.49 -0.44 -1.51 0.00 0.00 179.97 178.88 2w3h h ASP 164 N 1.10 0.00 -4.51 -3.80 3.32 -2.04 -3.47 116.42 107.02 2w3h h ASP 164 Ca 0.43 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.50 2w3h h ASP 164 Cb 0.23 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.57 2w3h h ASP 164 CO -0.19 0.49 0.39 -0.70 -1.72 0.00 0.00 179.24 177.50 2w3h s GLU 165 N -3.60 0.80 -0.12 3.56 2.12 -1.07 -5.15 118.70 115.23 2w3h s GLU 165 Ca -0.01 0.20 -0.03 0.00 0.36 0.00 0.00 54.97 55.49 2w3h s GLU 165 Cb 0.12 0.38 -0.03 0.00 0.26 0.00 0.00 34.13 34.85 2w3h s GLU 165 CO 0.72 -0.25 -0.01 0.45 -0.54 0.00 0.00 175.26 175.64 2w3h s SER 166 N -1.14 5.12 -0.00 -1.70 0.15 -1.26 -1.20 113.70 113.66 2w3h s SER 166 Ca -0.06 0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.67 2w3h s SER 166 Cb -0.00 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.65 2w3h s SER 166 CO 0.05 0.28 0.13 0.49 1.20 0.00 0.00 173.24 175.40 2w3h n PHE 167 N 2.77 0.00 -3.78 3.44 3.72 0.43 -4.99 117.46 119.05 2w3h n PHE 167 Ca -0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.21 2w3h n PHE 167 Cb 0.53 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.08 2w3h n PHE 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2w3h n GLY 168 N 1.10 0.74 2.85 1.37 0.00 -1.06 -1.38 105.19 108.80 2w3h n GLY 168 Ca 0.01 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 2w3h n GLY 168 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w3h s THR 169 N -2.21 -0.07 -0.21 2.61 2.01 -0.65 -1.10 115.64 116.01 2w3h s THR 169 Ca 0.14 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.24 2w3h s THR 169 Cb -0.01 -0.18 -0.05 0.00 0.01 0.00 0.00 72.50 72.27 2w3h s THR 169 CO 0.02 0.09 0.24 -0.22 -0.69 0.00 0.00 174.62 174.06 2w3h s LEU 170 N 1.26 4.16 0.00 4.42 2.96 0.11 -1.94 118.68 129.65 2w3h s LEU 170 Ca -0.08 0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 2w3h s LEU 170 Cb -0.12 -2.25 -0.00 0.00 0.50 0.00 0.00 46.19 44.31 2w3h s LEU 170 CO -0.05 0.05 0.01 -0.72 -1.32 0.00 0.00 176.35 174.32 2w3h s TYR 171 N 0.95 0.07 0.03 5.38 -0.85 -0.28 -0.62 117.35 122.03 2w3h s TYR 171 Ca 0.12 -0.13 0.05 0.00 -0.52 0.00 0.00 57.07 56.59 2w3h s TYR 171 Cb -0.13 -0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.13 2w3h s TYR 171 CO 0.04 -0.08 -0.13 -0.51 -1.52 0.00 0.00 175.55 173.35 2w3h s LEU 172 N -0.52 2.14 0.08 -3.49 2.01 0.14 -0.44 118.68 118.60 2w3h s LEU 172 Ca -0.06 -0.41 0.03 0.00 0.01 0.00 0.00 54.13 53.71 2w3h s LEU 172 Cb -0.04 -0.59 -0.03 0.00 0.01 0.00 0.00 46.19 45.54 2w3h s LEU 172 CO -0.00 0.05 -0.09 0.42 1.01 0.00 0.00 176.35 177.74 2w3h s THR 173 N -0.74 0.80 -0.91 5.49 -4.23 -0.85 -0.28 115.64 114.91 2w3h s THR 173 Ca 0.02 -1.50 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 2w3h s THR 173 Cb -0.07 -1.17 -0.05 0.00 1.34 0.00 0.00 72.50 72.55 2w3h s THR 173 CO 0.01 -0.53 0.81 0.47 -0.54 0.00 0.00 174.62 174.84 2w3h n ASP 174 N 0.78 -6.71 -4.64 3.99 9.92 -0.22 -2.81 116.55 116.87 2w3h n ASP 174 Ca -0.18 -0.50 -0.47 0.00 -0.53 0.00 0.00 54.79 53.10 2w3h n ASP 174 Cb 0.57 -5.00 -0.04 0.00 -0.64 0.00 0.00 41.12 36.01 2w3h n ASP 174 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2w3h n LYS 175 N -2.75 1.81 0.00 -1.24 4.81 -1.26 -1.53 118.16 118.01 2w3h n LYS 175 Ca -0.05 0.65 0.05 0.00 -0.87 0.00 0.00 58.31 58.10 2w3h n LYS 175 Cb 0.58 -2.35 0.27 0.00 0.02 0.00 0.00 35.03 33.55 2w3h n LYS 175 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2w3h n THR 176 N 2.74 0.78 0.36 3.15 -2.24 0.54 -1.23 114.28 118.38 2w3h n THR 176 Ca 0.16 0.20 0.11 0.00 -2.27 0.00 0.00 64.05 62.24 2w3h n THR 176 Cb 0.27 -1.02 0.27 0.00 -2.10 0.00 0.00 70.33 67.75 2w3h n THR 176 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2w3h n ASN 177 N -1.31 3.04 0.00 3.42 6.94 -1.26 -4.93 115.26 121.16 2w3h n ASN 177 Ca 0.05 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 2w3h n ASN 177 Cb 0.09 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 2w3h n ASN 177 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2w3h n GLY 178 N 1.42 0.43 3.91 4.83 0.00 -0.37 -5.00 105.19 110.42 2w3h n GLY 178 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2w3h n GLY 178 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w3h s GLN 179 N -0.64 3.60 0.79 1.61 -1.52 -1.26 -5.01 119.66 117.23 2w3h s GLN 179 Ca 0.00 0.00 -0.11 0.00 -1.95 0.00 0.00 55.36 53.30 2w3h s GLN 179 Cb 0.00 -2.59 0.07 0.00 -0.22 0.00 0.00 33.01 30.28 2w3h s GLN 179 CO 0.00 0.11 1.11 -2.14 -0.25 0.00 0.00 175.29 174.13 2w3h s PRO 180 N -3.92 2.00 0.46 2.91 0.02 -1.26 -4.48 135.00 130.72 2w3h s PRO 180 Ca 0.44 1.31 -0.24 0.00 0.02 0.00 0.00 61.00 62.53 2w3h s PRO 180 Cb -0.10 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 2w3h s PRO 180 CO 0.34 -1.86 1.30 -0.06 -0.33 0.00 0.00 177.00 176.39 2w3h s PHE 181 N -2.75 2.64 0.64 6.54 0.08 -1.26 -5.02 117.98 118.86 2w3h s PHE 181 Ca 0.64 1.41 -0.05 0.00 0.12 0.00 0.00 56.93 59.05 2w3h s PHE 181 Cb -0.19 -3.67 0.04 0.00 -0.57 0.00 0.00 43.02 38.62 2w3h s PHE 181 CO 0.55 -2.29 0.94 -1.54 -0.10 0.00 0.00 175.22 172.77 2w3h s SER 182 N -0.91 5.13 0.22 1.36 1.04 -1.26 -4.94 113.70 114.34 2w3h s SER 182 Ca 0.63 0.45 -0.08 0.00 0.48 0.00 0.00 55.95 57.43 2w3h s SER 182 Cb -0.37 -1.25 0.25 0.00 0.10 0.00 0.00 66.02 64.75 2w3h s SER 182 CO 0.46 -1.36 1.85 0.44 0.98 0.00 0.00 173.24 175.62 2w3h h ASP 183 N -0.35 0.78 -0.76 7.02 3.32 -2.00 -1.98 116.42 122.45 2w3h h ASP 183 Ca -0.44 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 2w3h h ASP 183 Cb 1.29 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 2w3h h ASP 183 CO 0.59 0.53 0.29 0.44 -1.72 0.00 0.00 179.24 179.37 2w3h h ASP 184 N 0.92 1.06 -0.28 6.45 3.32 -2.00 -1.78 116.42 124.11 2w3h h ASP 184 Ca 0.32 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 57.24 2w3h h ASP 184 Cb 0.07 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 2w3h h ASP 184 CO -0.13 0.95 0.07 0.44 -1.72 0.00 0.00 179.24 178.84 2w3h h ASP 185 N 1.12 0.03 -0.36 6.45 3.32 -1.86 -1.75 116.42 123.37 2w3h h ASP 185 Ca 0.25 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 2w3h h ASP 185 Cb 0.23 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2w3h h ASP 185 CO -0.02 0.05 0.21 -0.08 -1.72 0.00 0.00 179.24 177.69 2w3h h GLU 186 N 0.18 0.49 -0.85 3.56 4.81 -1.00 -1.38 114.58 120.39 2w3h h GLU 186 Ca 0.13 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2w3h h GLU 186 Cb 0.13 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 2w3h h GLU 186 CO -0.16 0.37 0.46 0.28 -0.73 0.00 0.00 179.01 179.23 2w3h h VAL 187 N 0.47 1.25 -0.53 0.32 2.07 -1.19 -1.89 116.25 116.75 2w3h h VAL 187 Ca 0.13 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 2w3h h VAL 187 Cb 0.01 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2w3h h VAL 187 CO -0.02 0.28 0.13 0.25 0.02 0.00 0.00 177.57 178.23 2w3h h LEU 188 N 1.19 0.80 -0.73 2.57 6.46 -0.99 -2.25 115.31 122.36 2w3h h LEU 188 Ca 0.30 -0.23 -0.13 0.00 -0.12 0.00 0.00 57.88 57.69 2w3h h LEU 188 Cb 0.04 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 2w3h h LEU 188 CO -0.05 0.82 -0.52 0.58 -0.62 0.00 0.00 178.44 178.65 2w3h h VAL 189 N 0.74 1.35 -0.90 1.05 2.07 -1.14 -2.14 116.25 117.28 2w3h h VAL 189 Ca 0.17 -1.78 0.03 0.00 0.82 0.00 0.00 66.70 65.93 2w3h h VAL 189 Cb 0.33 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 2w3h h VAL 189 CO 0.00 0.53 0.59 1.56 0.02 0.00 0.00 177.57 180.27 2w3h h GLN 190 N 0.24 1.12 -0.36 1.57 4.20 -1.11 0.20 115.11 120.97 2w3h h GLN 190 Ca 0.01 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2w3h h GLN 190 Cb 1.00 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 2w3h h GLN 190 CO 0.08 0.74 0.10 0.00 -0.67 0.00 0.00 178.83 179.09 2w3h h ALA 191 N 1.36 0.47 -0.44 3.87 0.00 -0.84 -0.74 119.26 122.93 2w3h h ALA 191 Ca 0.35 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2w3h h ALA 191 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2w3h h ALA 191 CO -0.10 0.13 -0.01 -0.07 0.00 0.00 0.00 179.25 179.19 2w3h h LEU 192 N 0.42 0.78 -0.84 0.00 3.38 -1.23 -2.72 115.31 115.10 2w3h h LEU 192 Ca 0.11 -0.32 0.12 0.00 0.09 0.00 0.00 57.88 57.89 2w3h h LEU 192 Cb 0.28 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 2w3h h LEU 192 CO -0.00 0.91 0.46 0.00 0.09 0.00 0.00 178.44 179.90 2w3h h ALA 193 N 0.90 1.24 -0.80 1.53 0.00 -0.47 -2.18 119.26 119.48 2w3h h ALA 193 Ca 0.12 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2w3h h ALA 193 Cb 0.52 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2w3h h ALA 193 CO 0.03 0.02 0.42 0.00 0.00 0.00 0.00 179.25 179.71 2w3h h ALA 194 N 1.51 1.03 -0.64 0.00 0.00 -0.83 0.17 119.26 120.50 2w3h h ALA 194 Ca 0.43 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2w3h h ALA 194 Cb 0.50 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2w3h h ALA 194 CO -0.30 0.56 0.24 0.00 0.00 0.00 0.00 179.25 179.75 2w3h h ALA 195 N 1.22 0.84 -0.58 0.00 0.00 -1.25 -2.27 119.26 117.22 2w3h h ALA 195 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2w3h h ALA 195 Cb 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2w3h h ALA 195 CO -0.04 0.47 0.37 0.00 0.00 0.00 0.00 179.25 180.06 2w3h h ALA 196 N 1.10 0.73 -0.91 0.00 0.00 -0.90 -2.65 119.26 116.64 2w3h h ALA 196 Ca 0.21 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2w3h h ALA 196 Cb 0.24 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2w3h h ALA 196 CO -0.01 0.18 0.57 0.78 0.00 0.00 0.00 179.25 180.77 2w3h h GLY 197 N 0.78 1.37 1.01 0.00 0.00 -0.24 0.08 103.07 106.08 2w3h h GLY 197 Ca 0.21 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2w3h h GLY 197 CO -0.04 0.29 0.21 -2.22 0.00 0.00 0.00 176.54 174.78 2w3h h ILE 198 N 1.05 1.24 -0.27 2.60 2.04 -1.29 0.10 117.51 122.98 2w3h h ILE 198 Ca 0.39 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.46 2w3h h ILE 198 Cb 0.16 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2w3h h ILE 198 CO -0.17 0.31 0.15 0.00 0.00 0.00 0.00 178.15 178.44 2w3h h ALA 199 N 1.08 0.33 -0.03 1.87 0.00 -0.92 0.05 119.26 121.63 2w3h h ALA 199 Ca 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2w3h h ALA 199 Cb 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2w3h h ALA 199 CO -0.01 -0.24 0.02 0.28 0.00 0.00 0.00 179.25 179.30 2w3h h VAL 200 N 0.31 1.08 -1.00 0.00 2.07 -0.83 -1.87 116.25 116.01 2w3h h VAL 200 Ca 0.11 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2w3h h VAL 200 Cb 0.01 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 2w3h h VAL 200 CO -0.06 0.07 0.65 0.00 0.02 0.00 0.00 177.57 178.25 2w3h h ALA 201 N 0.92 1.40 -0.06 1.67 0.00 -0.86 -1.58 119.26 120.75 2w3h h ALA 201 Ca 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2w3h h ALA 201 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2w3h h ALA 201 CO -0.00 0.45 -0.31 -0.97 0.00 0.00 0.00 179.25 178.42 2w3h h ASN 202 N 1.18 0.10 0.61 0.00 -1.24 -0.77 -2.43 115.58 113.04 2w3h h ASN 202 Ca 0.43 -0.03 -0.20 0.00 0.71 0.00 0.00 56.30 57.21 2w3h h ASN 202 Cb 0.16 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 2w3h h ASN 202 CO -0.17 0.42 -0.89 0.00 -1.29 0.00 0.00 177.43 175.50 2w3h h ALA 203 N 1.59 0.50 -2.38 1.57 0.00 -0.47 -3.37 119.26 116.70 2w3h h ALA 203 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2w3h h ALA 203 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2w3h h ALA 203 CO 0.04 0.93 0.00 0.54 0.00 0.00 0.00 179.25 180.77 2w3h n ARG 204 N -3.64 0.00 0.00 0.00 5.12 -0.74 -5.11 116.66 112.28 2w3h n ARG 204 Ca -0.04 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2w3h n ARG 204 Cb 0.82 -0.96 0.00 0.00 -1.16 0.00 0.00 32.46 31.16 2w3h n ARG 204 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59