#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3m n SER 2 N 0.00 2.26 0.00 6.12 3.41 -1.26 -4.81 113.62 119.34 2k3m n SER 2 Ca 0.00 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 2k3m n SER 2 Cb 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2k3m n SER 2 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k3m n ASP 3 N 0.49 0.00 -3.70 4.04 2.03 -1.26 -5.19 116.55 112.96 2k3m n ASP 3 Ca 0.12 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.29 2k3m n ASP 3 Cb 0.40 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.72 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2k3m s PHE 4 N 0.00 -0.34 -0.01 -0.67 5.36 -1.26 -5.17 117.98 115.88 2k3m s PHE 4 Ca 0.00 0.63 -0.22 0.00 -0.96 0.00 0.00 56.93 56.38 2k3m s PHE 4 Cb 0.00 0.18 0.05 0.00 -0.34 0.00 0.00 43.02 42.90 2k3m s PHE 4 CO 0.00 -0.41 0.49 -0.51 -1.46 0.00 0.00 175.22 173.33 2k3m s ASP 5 N -0.99 -0.40 0.27 6.13 1.01 -1.26 -5.06 116.67 116.36 2k3m s ASP 5 Ca -0.10 0.30 -0.23 0.00 0.71 0.00 0.00 52.55 53.22 2k3m s ASP 5 Cb -0.04 0.44 -0.15 0.00 1.01 0.00 0.00 42.92 44.18 2k3m s ASP 5 CO 0.05 -0.58 0.30 0.41 0.21 0.00 0.00 175.17 175.56 2k3m n THR 6 N 0.89 1.30 -0.18 -1.27 -1.04 -1.26 -3.86 114.28 108.86 2k3m n THR 6 Ca -0.20 -0.47 -0.04 0.00 -2.04 0.00 0.00 64.05 61.30 2k3m n THR 6 Cb 0.58 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.11 2k3m n THR 6 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2k3m h GLU 7 N 0.65 -0.12 -0.43 -2.82 4.81 -2.00 0.95 114.58 115.62 2k3m h GLU 7 Ca -0.30 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 2k3m h GLU 7 Cb 1.35 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 2k3m h GLU 7 CO 0.49 -0.08 0.08 0.07 -0.73 0.00 0.00 179.01 178.85 2k3m h ARG 8 N -0.12 0.66 0.20 1.92 0.11 -1.96 1.36 114.38 116.55 2k3m h ARG 8 Ca 0.24 -0.13 -0.01 0.00 0.10 0.00 0.00 59.98 60.19 2k3m h ARG 8 Cb 0.51 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2k3m h ARG 8 CO -0.62 0.62 -0.10 0.28 0.10 0.00 0.00 179.97 180.25 2k3m h VAL 9 N 0.64 0.85 -0.46 0.08 2.07 -0.78 1.83 116.25 120.48 2k3m h VAL 9 Ca 0.14 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 2k3m h VAL 9 Cb 0.27 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2k3m h VAL 9 CO 0.00 0.06 -0.18 0.77 0.02 0.00 0.00 177.57 178.23 2k3m h SER 10 N -0.39 0.91 0.15 0.57 4.64 0.13 -1.13 113.55 118.44 2k3m h SER 10 Ca -0.03 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 2k3m h SER 10 Cb 0.30 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2k3m h SER 10 CO 0.05 1.07 -0.07 -0.09 -0.87 0.00 0.00 176.83 176.92 2k3m h ARG 11 N 0.79 -0.20 -1.08 4.77 9.65 0.19 -2.52 114.38 125.98 2k3m h ARG 11 Ca 0.11 0.01 0.31 0.00 -1.10 0.00 0.00 59.98 59.31 2k3m h ARG 11 Cb 0.72 0.04 -0.12 0.00 -1.39 0.00 0.00 29.97 29.23 2k3m h ARG 11 CO 0.06 -0.13 0.68 0.00 2.80 0.00 0.00 179.97 183.37 2k3m h ALA 12 N -1.35 2.21 0.07 2.80 0.00 0.27 3.21 119.26 126.48 2k3m h ALA 12 Ca -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k3m h ALA 12 Cb 0.16 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k3m h ALA 12 CO 0.03 -0.72 -0.04 0.28 0.00 0.00 0.00 179.25 178.80 2k3m h VAL 13 N 0.35 0.91 0.63 0.00 2.07 -1.18 0.58 116.25 119.59 2k3m h VAL 13 Ca 0.68 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.17 2k3m h VAL 13 Cb 1.71 0.91 0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2k3m h VAL 13 CO -0.41 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 176.88 2k3m h ALA 14 N 0.81 -1.18 -0.06 1.67 0.00 0.61 2.25 119.26 123.35 2k3m h ALA 14 Ca -0.01 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2k3m h ALA 14 Cb 0.09 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2k3m h ALA 14 CO 0.01 -1.12 -0.31 0.00 0.00 0.00 0.00 179.25 177.83 2k3m h ALA 15 N -1.59 -0.40 0.31 0.00 0.00 -0.27 1.50 119.26 118.81 2k3m h ALA 15 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 15 Cb 0.64 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k3m h ALA 15 CO 0.14 -0.80 -0.15 0.00 0.00 0.00 0.00 179.25 178.44 2k3m h ALA 16 N 0.37 -0.41 0.01 0.00 0.00 0.13 2.37 119.26 121.72 2k3m h ALA 16 Ca 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k3m h ALA 16 Cb 0.54 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2k3m h ALA 16 CO -0.30 -0.68 -0.12 1.25 0.00 0.00 0.00 179.25 179.40 2k3m h LEU 17 N -0.51 -0.34 0.37 0.00 5.85 0.42 0.17 115.31 121.27 2k3m h LEU 17 Ca -0.04 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2k3m h LEU 17 Cb 0.38 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2k3m h LEU 17 CO 0.07 -0.17 -0.18 -0.37 -0.34 0.00 0.00 178.44 177.45 2k3m h VAL 18 N -0.20 0.47 -0.96 1.05 -1.51 0.22 -3.38 116.25 111.94 2k3m h VAL 18 Ca 0.04 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2k3m h VAL 18 Cb 0.26 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 2k3m h VAL 18 CO -0.11 0.09 0.00 0.61 -1.23 0.00 0.00 177.57 176.93 2k3m n GLY 19 N -0.07 -3.62 0.09 5.19 0.00 0.80 -4.90 105.19 102.68 2k3m n GLY 19 Ca -0.09 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 2k3m n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3m h PRO 20 N 0.00 0.15 0.54 1.61 0.13 -1.78 -3.33 132.00 129.31 2k3m h PRO 20 Ca 0.00 -0.25 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 2k3m h PRO 20 Cb 0.00 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 2k3m h PRO 20 CO 0.00 1.06 -0.37 0.78 -0.23 0.00 0.00 178.00 179.24 2k3m h GLY 21 N 2.27 -0.97 0.67 1.56 0.00 -1.86 3.39 103.07 108.14 2k3m h GLY 21 Ca -0.12 0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.66 2k3m h GLY 21 CO 0.16 -0.34 -0.06 -1.33 0.00 0.00 0.00 176.54 174.96 2k3m h GLY 22 N -0.88 0.05 1.52 4.60 0.00 -0.88 0.59 103.07 108.07 2k3m h GLY 22 Ca -0.06 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2k3m h GLY 22 CO 0.03 -0.08 0.20 -2.08 0.00 0.00 0.00 176.54 174.61 2k3m h VAL 23 N -0.05 1.16 0.64 4.60 2.07 -1.22 0.19 116.25 123.63 2k3m h VAL 23 Ca 0.07 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2k3m h VAL 23 Cb 0.16 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2k3m h VAL 23 CO -0.16 0.19 -0.45 0.00 0.02 0.00 0.00 177.57 177.17 2k3m h ALA 24 N 1.59 -1.20 -0.47 1.67 0.00 0.86 0.20 119.26 121.90 2k3m h ALA 24 Ca 0.16 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 24 Cb 0.09 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2k3m h ALA 24 CO -0.02 -1.18 0.02 1.25 0.00 0.00 0.00 179.25 179.32 2k3m h LEU 25 N -1.04 0.81 0.83 0.00 6.46 -1.13 0.24 115.31 121.47 2k3m h LEU 25 Ca -0.09 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.34 2k3m h LEU 25 Cb 0.85 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 2k3m h LEU 25 CO 0.05 0.90 -0.43 0.58 -0.62 0.00 0.00 178.44 178.93 2k3m h VAL 26 N 0.68 0.13 -0.54 1.05 2.07 -0.88 0.12 116.25 118.88 2k3m h VAL 26 Ca 0.14 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 2k3m h VAL 26 Cb 0.48 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2k3m h VAL 26 CO 0.02 0.00 0.15 1.62 0.02 0.00 0.00 177.57 179.38 2k3m h VAL 27 N -1.15 1.22 0.26 2.57 3.04 -0.63 0.30 116.25 121.85 2k3m h VAL 27 Ca -0.11 -0.76 -0.01 0.00 -1.01 0.00 0.00 66.70 64.80 2k3m h VAL 27 Cb 0.90 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2k3m h VAL 27 CO 0.16 0.29 -0.12 0.50 -1.01 0.00 0.00 177.57 177.39 2k3m h LYS 28 N 0.78 -0.33 -0.53 4.17 3.64 -0.85 0.34 116.57 123.79 2k3m h LYS 28 Ca 0.18 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2k3m h LYS 28 Cb 0.26 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2k3m h LYS 28 CO -0.01 -0.06 0.34 0.28 -2.27 0.00 0.00 179.45 177.73 2k3m h VAL 29 N -0.58 1.11 0.57 2.00 2.07 -0.86 0.33 116.25 120.89 2k3m h VAL 29 Ca -0.04 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2k3m h VAL 29 Cb 0.42 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2k3m h VAL 29 CO 0.06 0.13 -0.27 0.00 0.02 0.00 0.00 177.57 177.50 2k3m h ALA 31 N -0.72 -0.65 -2.77 0.00 0.00 -0.16 -3.49 119.26 111.46 2k3m h ALA 31 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k3m h ALA 31 Cb 0.65 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k3m h ALA 31 CO 0.13 -0.76 0.00 0.41 0.00 0.00 0.00 179.25 179.03 2k3m n GLY 32 N -0.76 -0.34 0.93 0.00 0.00 0.11 -4.80 105.19 100.33 2k3m n GLY 32 Ca -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2k3m n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3m n LEU 33 N -0.77 -1.87 0.15 0.99 4.77 -1.26 -4.74 117.00 114.28 2k3m n LEU 33 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2k3m n LEU 33 Cb 0.30 -0.93 0.40 0.00 -2.33 0.00 0.00 43.42 40.86 2k3m n LEU 33 CO 0.00 0.00 0.79 -2.65 -1.33 0.00 0.00 177.39 174.20 2k3m n PRO 34 N 0.20 0.10 0.20 3.23 -0.02 -1.26 -2.53 135.00 134.93 2k3m n PRO 34 Ca 0.00 0.57 -0.15 0.00 -2.02 0.00 0.00 63.50 61.91 2k3m n PRO 34 Cb 0.00 -2.02 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 2k3m n PRO 34 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2k3m h GLY 35 N 0.00 -0.73 0.00 -1.23 0.00 -1.95 -3.34 103.07 95.82 2k3m h GLY 35 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2k3m h GLY 35 CO 0.00 -0.27 0.00 1.55 0.00 0.00 0.00 176.54 177.82 2k3m n VAL 36 N -5.43 0.00 -1.29 4.60 3.14 -1.05 -4.86 118.33 113.44 2k3m n VAL 36 Ca -0.09 1.01 0.00 0.00 -2.96 0.00 0.00 64.34 62.29 2k3m n VAL 36 Cb 0.33 -2.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.11 2k3m n VAL 36 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2k3m n ILE 37 N -1.99 0.00 -3.85 1.55 5.41 -1.25 -4.87 119.36 114.37 2k3m n ILE 37 Ca 0.00 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.49 2k3m n ILE 37 Cb 0.00 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 38.76 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.38 0.00 0.00 0.00 176.55 175.17 2k3m s HIS 38 N -1.21 1.22 -0.25 1.39 -3.43 -1.26 -5.00 115.29 106.76 2k3m s HIS 38 Ca 0.00 -0.62 -0.10 0.00 -0.80 0.00 0.00 55.06 53.54 2k3m s HIS 38 Cb 0.00 -1.09 -0.04 0.00 -1.43 0.00 0.00 32.58 30.01 2k3m s HIS 38 CO 0.00 -0.48 0.14 0.99 -2.00 0.00 0.00 174.74 173.39 2k3m s THR 39 N 1.79 5.03 0.37 -5.38 2.01 -1.26 -4.98 115.64 113.22 2k3m s THR 39 Ca 0.04 0.07 0.16 0.00 0.31 0.00 0.00 61.69 62.27 2k3m s THR 39 Cb -0.13 -3.36 0.37 0.00 0.01 0.00 0.00 72.50 69.39 2k3m s THR 39 CO -0.07 0.32 1.76 -0.65 -0.69 0.00 0.00 174.62 175.29 2k3m h PRO 40 N 7.89 0.44 -5.02 4.92 0.11 -2.03 -3.38 132.00 134.93 2k3m h PRO 40 Ca -0.37 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.13 2k3m h PRO 40 Cb 1.18 -0.10 -0.33 0.00 0.11 0.00 0.00 31.00 31.86 2k3m h PRO 40 CO 0.60 0.29 -0.85 0.00 -0.21 0.00 0.00 178.00 177.84 2k3m s ALA 41 N -5.57 1.68 0.05 -0.75 0.00 -1.26 -5.13 121.76 110.78 2k3m s ALA 41 Ca -0.09 -0.69 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 2k3m s ALA 41 Cb 0.26 -0.65 0.09 0.00 0.00 0.00 0.00 23.12 22.82 2k3m s ALA 41 CO 0.80 0.22 0.98 -0.98 0.00 0.00 0.00 175.76 176.78 2k3m s ARG 42 N 0.41 0.92 0.00 0.00 1.70 -1.26 -4.96 118.95 115.75 2k3m s ARG 42 Ca -0.14 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 2k3m s ARG 42 Cb -0.16 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.57 2k3m s ARG 42 CO 0.05 -0.41 0.17 -2.13 -1.08 0.00 0.00 175.30 171.90 2k3m n ARG 43 N -0.36 0.28 0.00 3.89 0.63 -1.26 -4.67 116.66 115.17 2k3m n ARG 43 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2k3m n ARG 43 Cb 0.61 -1.11 0.00 0.00 0.45 0.00 0.00 32.46 32.41 2k3m n ARG 43 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k3m n GLY 44 N 0.23 2.84 3.60 5.14 0.00 -1.26 -4.90 105.19 110.84 2k3m n GLY 44 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2k3m n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k3m s PHE 45 N -0.90 -0.32 0.00 1.61 0.40 -1.26 -5.03 117.98 112.48 2k3m s PHE 45 Ca 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 2k3m s PHE 45 Cb 0.00 0.60 0.00 0.00 0.51 0.00 0.00 43.02 44.13 2k3m s PHE 45 CO 0.00 -0.82 0.00 1.19 0.70 0.00 0.00 175.22 176.29 2k3m n PHE 46 N -0.37 0.00 -1.77 0.36 3.01 -1.26 -5.10 117.46 112.33 2k3m n PHE 46 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 2k3m n PHE 46 Cb 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 2k3m n PHE 46 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2k3m n ARG 47 N 0.00 3.95 0.00 -1.08 3.00 -1.26 -4.95 116.66 116.32 2k3m n ARG 47 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k3m s ASN 49 N 0.00 2.56 -1.09 0.00 2.47 -1.26 -5.03 114.94 112.60 2k3m s ASN 49 Ca 0.00 -0.42 -0.07 0.00 0.42 0.00 0.00 52.86 52.80 2k3m s ASN 49 Cb 0.00 -0.28 -0.06 0.00 -1.45 0.00 0.00 41.25 39.46 2k3m s ASN 49 CO 0.00 0.25 2.33 -0.81 -3.72 0.00 0.00 177.10 175.15 2k3m n PRO 50 N 2.44 2.48 0.00 0.43 -0.04 -1.26 -4.52 135.00 134.53 2k3m n PRO 50 Ca -0.16 -1.63 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 2k3m n PRO 50 Cb 0.53 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 2k3m n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k3m n GLU 51 N 4.03 0.00 -0.36 0.54 4.71 -1.26 -4.94 120.64 123.37 2k3m n GLU 51 Ca 0.53 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 57.39 2k3m n GLU 51 Cb 0.16 -1.87 0.27 0.00 -1.01 0.00 0.00 31.44 29.00 2k3m n GLU 51 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2k3m n ARG 52 N -0.72 -3.70 -3.85 3.49 5.12 -1.26 -4.99 116.66 110.75 2k3m n ARG 52 Ca 0.00 -1.08 -0.34 0.00 -1.93 0.00 0.00 57.85 54.50 2k3m n ARG 52 Cb 0.00 -2.00 -0.05 0.00 -1.16 0.00 0.00 32.46 29.25 2k3m n ARG 52 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2k3m s ILE 53 N -2.24 5.39 -1.07 0.55 -1.16 -1.26 -4.95 121.20 116.47 2k3m s ILE 53 Ca 0.67 -0.03 -0.25 0.00 -0.51 0.00 0.00 60.65 60.52 2k3m s ILE 53 Cb -0.18 -3.54 -0.19 0.00 0.61 0.00 0.00 42.46 39.16 2k3m s ILE 53 CO 0.60 0.35 2.02 0.00 -2.81 0.00 0.00 174.94 175.11 2k3m n GLN 54 N 1.05 0.69 -3.79 3.50 0.00 -1.26 -4.80 117.38 112.78 2k3m n GLN 54 Ca -0.11 -1.96 -0.11 0.00 0.00 0.00 0.00 57.00 54.82 2k3m n GLN 54 Cb 0.53 -3.78 -0.07 0.00 0.00 0.00 0.00 30.24 26.91 2k3m n GLN 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2k3m s ILE 55 N 14.33 0.10 0.00 -0.39 1.01 -1.26 -4.90 121.20 130.09 2k3m s ILE 55 Ca 0.76 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2k3m s ILE 55 Cb -0.02 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.41 2k3m s ILE 55 CO 0.18 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.27 2k3m n GLY 56 N 0.38 0.76 3.55 6.18 0.00 -1.26 -5.04 105.19 109.76 2k3m n GLY 56 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2k3m n GLY 56 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k3m s ASP 57 N -1.74 6.21 0.84 1.61 -4.77 -1.26 -4.98 116.67 112.58 2k3m s ASP 57 Ca 0.00 -0.60 -0.09 0.00 -3.30 0.00 0.00 52.55 48.56 2k3m s ASP 57 Cb 0.00 -2.56 0.16 0.00 -1.09 0.00 0.00 42.92 39.42 2k3m s ASP 57 CO 0.00 -1.79 1.17 0.26 0.70 0.00 0.00 175.17 175.51 2k3m s TRP 58 N 5.63 1.78 -0.14 2.11 0.52 -1.26 -5.07 118.94 122.51 2k3m s TRP 58 Ca 0.37 0.13 -0.09 0.00 0.02 0.00 0.00 56.10 56.53 2k3m s TRP 58 Cb -0.07 -3.60 -0.03 0.00 -1.15 0.00 0.00 33.47 28.62 2k3m s TRP 58 CO 0.11 -2.15 -0.18 0.54 0.02 0.00 0.00 176.95 175.29 2k3m n ARG 59 N -3.33 0.45 0.08 4.98 3.00 -1.26 -4.29 116.66 116.29 2k3m n ARG 59 Ca 0.14 0.53 0.12 0.00 -0.01 0.00 0.00 57.85 58.63 2k3m n ARG 59 Cb 0.60 -1.69 0.03 0.00 0.00 0.00 0.00 32.46 31.40 2k3m n ARG 59 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 2k3m n TYR 60 N -4.60 0.75 0.68 -1.55 9.36 -1.26 -4.00 117.16 116.54 2k3m n TYR 60 Ca -0.07 0.22 0.13 0.00 3.32 0.00 0.00 57.90 61.50 2k3m n TYR 60 Cb 0.26 -0.81 0.37 0.00 -0.63 0.00 0.00 39.34 38.53 2k3m n TYR 60 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2k3m n GLU 61 N -2.44 0.22 -0.01 2.98 2.13 -1.26 -4.11 120.64 118.15 2k3m n GLU 61 Ca 0.01 0.14 -0.10 0.00 0.66 0.00 0.00 57.16 57.87 2k3m n GLU 61 Cb 0.51 -1.72 -0.04 0.00 0.27 0.00 0.00 31.44 30.47 2k3m n GLU 61 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2k3m h VAL 62 N 0.00 0.31 0.17 6.31 -1.51 -1.75 1.50 116.25 121.28 2k3m h VAL 62 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2k3m h VAL 62 Cb 0.70 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 2k3m h VAL 62 CO 0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 177.57 176.26 2k3m h ALA 63 N 0.51 -0.23 -0.62 5.19 0.00 -1.86 4.49 119.26 126.74 2k3m h ALA 63 Ca 0.10 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.90 2k3m h ALA 63 Cb 0.52 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 2k3m h ALA 63 CO -0.36 -0.35 -0.36 1.25 0.00 0.00 0.00 179.25 179.43 2k3m h HIS 64 N -0.79 -1.01 -0.01 0.00 6.17 -1.67 1.50 115.15 119.33 2k3m h HIS 64 Ca -0.02 0.08 -0.02 0.00 0.71 0.00 0.00 60.37 61.11 2k3m h HIS 64 Cb 0.52 0.53 0.00 0.00 2.52 0.00 0.00 27.41 30.99 2k3m h HIS 64 CO 0.08 -0.39 -0.08 0.22 0.71 0.00 0.00 177.93 178.47 2k3m h ASP 65 N -0.16 0.09 0.00 3.26 3.58 0.21 -3.03 116.42 120.36 2k3m h ASP 65 Ca 0.23 -0.69 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2k3m h ASP 65 Cb 0.56 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2k3m h ASP 65 CO -0.70 0.76 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 2k3m n GLY 66 N 0.78 1.39 0.00 -0.78 0.00 1.47 -3.25 105.19 104.80 2k3m n GLY 66 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 2k3m n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3m n ARG 67 N 0.46 0.58 -0.43 1.61 1.74 0.50 -4.00 116.66 117.13 2k3m n ARG 67 Ca 0.00 0.00 0.33 0.00 -0.77 0.00 0.00 57.85 57.41 2k3m n ARG 67 Cb 0.32 -1.09 0.50 0.00 -1.02 0.00 0.00 32.46 31.17 2k3m n ARG 67 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k3m n LEU 68 N -0.59 0.00 0.27 0.55 -0.00 -1.20 0.29 117.00 116.31 2k3m n LEU 68 Ca 0.03 0.61 -0.10 0.00 -0.00 0.00 0.00 56.01 56.54 2k3m n LEU 68 Cb 0.01 -0.30 -0.05 0.00 -0.00 0.00 0.00 43.42 43.08 2k3m n LEU 68 CO 0.02 -0.61 0.46 0.25 -0.00 0.00 0.00 177.39 177.51 2k3m h LEU 69 N 0.00 -0.58 0.00 1.47 6.46 -1.92 -0.18 115.31 120.56 2k3m h LEU 69 Ca 0.57 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.35 2k3m h LEU 69 Cb 2.33 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 42.40 2k3m h LEU 69 CO -0.01 -0.38 0.00 0.00 -0.62 0.00 0.00 178.44 177.43 2k3m n ALA 70 N -2.39 -0.04 0.00 1.25 0.00 0.84 -3.76 120.51 116.40 2k3m n ALA 70 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k3m n ALA 70 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2k3m n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3m n ALA 71 N -1.52 0.09 -0.12 0.00 0.00 0.26 -4.27 120.51 114.95 2k3m n ALA 71 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2k3m n ALA 71 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 2k3m n ALA 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2k3m n HIS 72 N -0.39 -0.12 -0.03 0.00 1.44 -0.08 0.26 115.22 116.30 2k3m n HIS 72 Ca 0.00 0.35 -0.13 0.00 -2.01 0.00 0.00 57.72 55.92 2k3m n HIS 72 Cb 0.00 -0.42 -0.10 0.00 0.12 0.00 0.00 29.99 29.60 2k3m n HIS 72 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2k3m h MET 73 N 0.00 0.11 -0.91 -1.40 2.86 -1.85 -3.29 114.93 110.45 2k3m h MET 73 Ca 0.04 -0.08 0.25 0.00 -2.06 0.00 0.00 59.70 57.86 2k3m h MET 73 Cb 0.11 0.01 -0.14 0.00 0.06 0.00 0.00 31.60 31.64 2k3m h MET 73 CO -0.26 0.67 0.33 0.28 1.06 0.00 0.00 176.91 178.98 2k3m h VAL 74 N -0.42 0.33 0.00 -2.22 2.07 -0.49 -0.40 116.25 115.12 2k3m h VAL 74 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2k3m h VAL 74 Cb 0.67 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2k3m h VAL 74 CO 0.02 0.05 0.48 -3.20 0.02 0.00 0.00 177.57 174.93 2k3m n ASN 75 N -5.17 0.00 -0.05 0.57 5.15 0.65 -0.69 115.26 115.72 2k3m n ASN 75 Ca 0.24 0.09 0.24 0.00 -0.60 0.00 0.00 54.58 54.54 2k3m n ASN 75 Cb 0.74 0.00 0.57 0.00 -0.53 0.00 0.00 39.78 40.57 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2k3m h GLY 76 N 0.00 0.00 0.85 8.20 0.00 -1.32 1.26 103.07 112.06 2k3m h GLY 76 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2k3m h GLY 76 CO 0.00 0.00 -0.20 0.16 0.00 0.00 0.00 176.54 176.50 2k3m h ILE 77 N 0.00 0.59 -1.36 2.60 3.07 -1.19 0.73 117.51 121.96 2k3m h ILE 77 Ca 0.33 -0.28 0.43 0.00 1.55 0.00 0.00 64.86 66.89 2k3m h ILE 77 Cb 2.03 0.73 -0.09 0.00 -0.27 0.00 0.00 36.82 39.22 2k3m h ILE 77 CO -0.00 0.05 0.93 0.52 -1.05 0.00 0.00 178.15 178.60 2k3m n VAL 78 N -5.26 -0.10 -0.09 0.16 0.31 0.43 0.30 118.33 114.07 2k3m n VAL 78 Ca -0.11 1.33 -0.13 0.00 -0.01 0.00 0.00 64.34 65.43 2k3m n VAL 78 Cb 0.27 -2.20 -0.15 0.00 -0.91 0.00 0.00 33.84 30.85 2k3m n VAL 78 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2k3m n ILE 79 N -3.94 1.47 0.72 2.52 -5.35 -0.89 -4.30 119.36 109.59 2k3m n ILE 79 Ca 0.34 -0.76 0.13 0.00 -0.27 0.00 0.00 62.75 62.19 2k3m n ILE 79 Cb 1.45 -0.87 0.32 0.00 -1.74 0.00 0.00 39.64 38.80 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m n ALA 80 N -2.89 2.74 -0.02 -1.28 0.00 0.87 -2.02 120.51 117.91 2k3m n ALA 80 Ca -0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 53.44 52.91 2k3m n ALA 80 Cb 1.09 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 19.24 2k3m n ALA 80 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k3m h GLU 81 N 0.00 0.00 0.00 0.00 5.08 0.28 -3.38 114.58 116.56 2k3m h GLU 81 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k3m h GLU 81 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2k3m h GLU 81 CO 0.00 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 174.54 2k3m n ASP 82 N -2.86 0.60 -0.01 1.42 2.03 -1.26 -4.11 116.55 112.36 2k3m n ASP 82 Ca -0.02 0.61 0.00 0.00 0.52 0.00 0.00 54.79 55.91 2k3m n ASP 82 Cb 0.06 -0.75 0.01 0.00 -0.72 0.00 0.00 41.12 39.71 2k3m n ASP 82 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k3m n ALA 83 N -1.73 0.01 -0.35 -1.67 0.00 -0.86 -0.23 120.51 115.68 2k3m n ALA 83 Ca 0.03 0.03 0.29 0.00 0.00 0.00 0.00 53.44 53.79 2k3m n ALA 83 Cb 0.28 -0.02 0.49 0.00 0.00 0.00 0.00 19.45 20.21 2k3m n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k3m n LEU 84 N -3.76 0.15 -0.12 0.00 7.99 -1.26 0.22 117.00 120.21 2k3m n LEU 84 Ca 0.01 0.99 -0.15 0.00 -0.01 0.00 0.00 56.01 56.85 2k3m n LEU 84 Cb 0.02 -0.49 -0.13 0.00 -0.11 0.00 0.00 43.42 42.71 2k3m n LEU 84 CO -0.00 -1.08 -1.27 0.00 -1.51 0.00 0.00 177.39 173.53 2k3m n ILE 85 N -4.11 1.43 0.45 -0.08 0.13 0.68 -4.30 119.36 113.56 2k3m n ILE 85 Ca 0.29 -0.65 -0.19 0.00 -1.10 0.00 0.00 62.75 61.11 2k3m n ILE 85 Cb 1.14 -1.11 -0.09 0.00 -0.84 0.00 0.00 39.64 38.74 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2k3m h ALA 86 N 0.31 -1.14 0.00 1.51 0.00 0.18 -2.24 119.26 117.89 2k3m h ALA 86 Ca -0.56 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2k3m h ALA 86 Cb 1.99 0.44 0.00 0.00 0.00 0.00 0.00 17.79 20.22 2k3m h ALA 86 CO -0.05 -1.11 0.00 -1.91 0.00 0.00 0.00 179.25 176.18 2k3m n GLU 87 N -5.56 0.57 0.00 0.00 2.13 0.58 -1.80 120.64 116.57 2k3m n GLU 87 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 2k3m n GLU 87 Cb 0.45 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.91 2k3m n GLU 87 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3m n ALA 88 N 0.41 1.34 -1.31 4.31 0.00 -0.89 -4.66 120.51 119.72 2k3m n ALA 88 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2k3m n ALA 88 Cb 0.20 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.79 2k3m n ALA 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2k3m n VAL 89 N -0.89 3.30 0.00 0.00 0.24 -0.74 -4.57 118.33 115.67 2k3m n VAL 89 Ca 0.00 -2.41 -0.06 0.00 -2.04 0.00 0.00 64.34 59.82 2k3m n VAL 89 Cb 0.00 -0.73 0.12 0.00 -1.47 0.00 0.00 33.84 31.76 2k3m n VAL 89 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2k3m h GLY 90 N 1.39 0.57 0.76 7.63 0.00 -1.83 -2.77 103.07 108.82 2k3m h GLY 90 Ca 0.59 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2k3m h GLY 90 CO 1.23 0.51 0.24 -1.05 0.00 0.00 0.00 176.54 177.46 2k3m n PRO 91 N -4.03 0.00 0.34 4.80 -0.02 -1.26 -0.16 135.00 134.66 2k3m n PRO 91 Ca -0.02 0.17 0.20 0.00 -2.02 0.00 0.00 63.50 61.83 2k3m n PRO 91 Cb 0.51 -1.74 1.07 0.00 -0.02 0.00 0.00 33.50 33.32 2k3m n PRO 91 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 2k3m h HIS 92 N 0.00 0.00 0.59 6.00 2.07 -1.87 -0.34 115.15 121.60 2k3m h HIS 92 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 2k3m h HIS 92 Cb 0.47 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.46 2k3m h HIS 92 CO 0.00 0.00 -0.28 1.37 -3.07 0.00 0.00 177.93 175.95 2k3m h LEU 93 N 0.00 -0.67 0.08 6.12 8.10 -0.83 2.15 115.31 130.25 2k3m h LEU 93 Ca 0.00 -0.03 0.02 0.00 0.11 0.00 0.00 57.88 57.98 2k3m h LEU 93 Cb 0.25 0.17 -0.04 0.00 -0.44 0.00 0.00 40.66 40.61 2k3m h LEU 93 CO -0.00 -0.32 -0.25 0.00 -4.11 0.00 0.00 178.44 173.76 2k3m h ALA 94 N -0.89 -0.40 0.78 0.17 0.00 -1.34 0.69 119.26 118.26 2k3m h ALA 94 Ca -0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2k3m h ALA 94 Cb 0.66 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2k3m h ALA 94 CO 0.13 -0.78 -0.44 0.00 0.00 0.00 0.00 179.25 178.17 2k3m h ARG 95 N -0.44 -1.09 0.00 0.00 3.08 -1.27 0.27 114.38 114.94 2k3m h ARG 95 Ca 0.04 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2k3m h ARG 95 Cb 0.48 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2k3m h ARG 95 CO -0.17 -0.73 0.40 0.00 -1.07 0.00 0.00 179.97 178.41 2k3m n ALA 96 N -2.66 0.44 0.00 0.04 0.00 0.73 -4.35 120.51 114.72 2k3m n ALA 96 Ca -0.15 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k3m n ALA 96 Cb 0.47 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.38 2k3m n ALA 96 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k3m n LEU 97 N -1.84 0.00 0.10 0.00 7.94 0.96 0.33 117.00 124.49 2k3m n LEU 97 Ca -0.01 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.08 2k3m n LEU 97 Cb 0.42 0.00 0.61 0.00 0.53 0.00 0.00 43.42 44.98 2k3m n LEU 97 CO 0.04 0.00 1.17 1.23 -1.11 0.00 0.00 177.39 178.71 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.85 6.65 103.07 105.91 2k3m h GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k3m h GLY 98 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.54 174.93 2k3m h GLN 99 N 0.00 0.00 -0.49 4.80 4.15 0.51 -0.03 115.11 124.05 2k3m h GLN 99 Ca 0.20 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 2k3m h GLN 99 Cb 1.51 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.18 2k3m h GLN 99 CO -0.00 0.00 0.05 0.97 -1.93 0.00 0.00 178.83 177.92 2k3m h ILE 100 N 0.00 1.25 0.58 2.39 6.09 1.37 -2.23 117.51 126.96 2k3m h ILE 100 Ca 0.00 -0.97 -0.02 0.00 -1.37 0.00 0.00 64.86 62.50 2k3m h ILE 100 Cb 0.42 0.93 -0.02 0.00 0.47 0.00 0.00 36.82 38.63 2k3m h ILE 100 CO 0.00 0.34 -0.51 0.58 -3.07 0.00 0.00 178.15 175.49 2k3m h VAL 101 N 0.69 0.00 0.00 2.19 2.07 -0.86 0.48 116.25 120.82 2k3m h VAL 101 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 2k3m h VAL 101 Cb 0.43 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2k3m h VAL 101 CO 0.01 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.23 2k3m n ARG 103 N -2.44 0.66 -0.71 0.00 0.63 0.56 -3.06 116.66 112.30 2k3m n ARG 103 Ca -0.01 0.35 0.04 0.00 -0.92 0.00 0.00 57.85 57.31 2k3m n ARG 103 Cb 0.65 -1.67 0.30 0.00 0.45 0.00 0.00 32.46 32.18 2k3m n ARG 103 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 2k3m n TYR 104 N -3.87 1.54 -0.63 -0.14 4.11 0.15 -4.64 117.16 113.67 2k3m n TYR 104 Ca -0.37 -0.99 0.00 0.00 -0.00 0.00 0.00 57.90 56.54 2k3m n TYR 104 Cb 0.90 -0.46 0.00 0.00 -0.00 0.00 0.00 39.34 39.78 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k3m n GLY 105 N -0.25 0.49 1.73 -7.48 0.00 2.06 -4.88 105.19 96.86 2k3m n GLY 105 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2k3m n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3m n ALA 106 N 0.00 0.00 1.06 4.61 0.00 -0.48 -4.40 120.51 121.30 2k3m n ALA 106 Ca 0.00 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.27 2k3m n ALA 106 Cb 0.03 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.82 2k3m n ALA 106 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2k3m n THR 107 N 2.01 0.25 -0.07 0.00 5.66 -1.26 -4.07 114.28 116.80 2k3m n THR 107 Ca 0.00 -0.42 -0.08 0.00 -3.05 0.00 0.00 64.05 60.50 2k3m n THR 107 Cb 0.14 0.52 -0.04 0.00 -1.55 0.00 0.00 70.33 69.40 2k3m n THR 107 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 2k3m h VAL 108 N 2.70 0.29 -0.66 1.08 3.04 -1.98 -3.41 116.25 117.32 2k3m h VAL 108 Ca 0.00 -1.32 -0.04 0.00 -1.01 0.00 0.00 66.70 64.33 2k3m h VAL 108 Cb 0.59 0.65 -0.03 0.00 -2.01 0.00 0.00 31.29 30.50 2k3m h VAL 108 CO 0.00 0.10 0.25 0.16 -1.01 0.00 0.00 177.57 177.07 2k3m h ILE 109 N -1.00 1.23 -0.78 3.17 3.07 -1.96 -3.26 117.51 117.98 2k3m h ILE 109 Ca -0.07 -0.74 0.17 0.00 1.55 0.00 0.00 64.86 65.77 2k3m h ILE 109 Cb 0.61 0.46 -0.11 0.00 -0.27 0.00 0.00 36.82 37.51 2k3m h ILE 109 CO -0.04 0.29 0.24 -0.65 -1.05 0.00 0.00 178.15 176.94 2k3m h PRO 110 N 0.95 0.31 0.15 0.16 0.11 -1.79 0.96 132.00 132.84 2k3m h PRO 110 Ca 0.22 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 2k3m h PRO 110 Cb 0.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2k3m h PRO 110 CO -0.02 0.20 -0.07 -0.97 -0.21 0.00 0.00 178.00 176.93 2k3m h ASN 111 N 0.32 -0.17 -0.23 -2.05 -1.24 -1.79 -2.81 115.58 107.61 2k3m h ASN 111 Ca 0.45 0.01 0.07 0.00 0.71 0.00 0.00 56.30 57.53 2k3m h ASN 111 Cb 0.79 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.87 2k3m h ASN 111 CO -0.51 -0.07 0.41 0.16 -1.29 0.00 0.00 177.43 176.12 2k3m h ILE 112 N -0.30 0.21 0.12 2.57 3.07 -1.66 0.90 117.51 122.41 2k3m h ILE 112 Ca -0.02 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.39 2k3m h ILE 112 Cb 0.15 0.64 -0.00 0.00 -0.27 0.00 0.00 36.82 37.34 2k3m h ILE 112 CO 0.03 0.00 -0.08 -1.13 -1.05 0.00 0.00 178.15 175.93 2k3m h ASN 113 N 0.00 -0.20 -0.12 2.16 -1.24 0.11 1.39 115.58 117.68 2k3m h ASN 113 Ca 0.11 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.17 2k3m h ASN 113 Cb 0.92 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 40.02 2k3m h ASN 113 CO -0.00 -0.13 0.09 0.00 -1.29 0.00 0.00 177.43 176.11 2k3m h ALA 114 N 0.69 2.01 0.00 1.57 0.00 -0.56 0.26 119.26 123.23 2k3m h ALA 114 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k3m h ALA 114 Cb 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k3m h ALA 114 CO 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 179.25 178.96 2k3m h ALA 115 N 1.92 0.03 -0.88 0.00 0.00 -1.19 -2.99 119.26 116.15 2k3m h ALA 115 Ca 0.06 -0.57 0.20 0.00 0.00 0.00 0.00 54.91 54.60 2k3m h ALA 115 Cb 0.25 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 17.96 2k3m h ALA 115 CO -0.00 0.08 -0.09 0.82 0.00 0.00 0.00 179.25 180.06 2k3m h ILE 116 N -1.00 0.15 -0.40 0.00 2.04 0.24 4.22 117.51 122.76 2k3m h ILE 116 Ca -0.04 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.87 2k3m h ILE 116 Cb 1.01 0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 37.11 2k3m h ILE 116 CO -0.02 0.01 -0.49 -0.08 0.00 0.00 0.00 178.15 177.56 2k3m h GLU 117 N 0.03 -0.36 0.49 2.37 4.81 -0.58 1.22 114.58 122.57 2k3m h GLU 117 Ca 0.47 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.70 2k3m h GLU 117 Cb 0.83 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2k3m h GLU 117 CO -0.85 -0.24 -0.24 0.28 -0.73 0.00 0.00 179.01 177.24 2k3m h VAL 118 N -0.37 0.44 -0.05 0.32 2.07 0.55 0.48 116.25 119.70 2k3m h VAL 118 Ca 0.11 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2k3m h VAL 118 Cb 0.60 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2k3m h VAL 118 CO -0.58 0.05 0.42 -0.07 0.02 0.00 0.00 177.57 177.41 2k3m h LEU 119 N -0.89 0.00 0.00 2.57 -0.00 0.76 -3.36 115.31 114.40 2k3m h LEU 119 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2k3m h LEU 119 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2k3m h LEU 119 CO 0.11 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.16 2k3m n GLY 120 N -1.28 -0.13 0.00 0.83 0.00 0.41 -5.00 105.19 100.02 2k3m n GLY 120 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2k3m n GLY 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3m n THR 121 N -2.64 0.00 0.00 2.61 -1.04 0.17 -4.89 114.28 108.49 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k3m n THR 121 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3m n GLY 122 N 0.00 2.37 3.50 3.41 0.00 -1.26 -4.76 105.19 108.44 2k3m n GLY 122 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2k3m n GLY 122 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 123 N -1.60 0.00 -3.81 2.61 5.66 -1.26 -4.65 114.28 111.23 2k3m n THR 123 Ca 0.00 -0.31 -0.05 0.00 -3.05 0.00 0.00 64.05 60.64 2k3m n THR 123 Cb 0.00 -1.54 -0.01 0.00 -1.55 0.00 0.00 70.33 67.23 2k3m n THR 123 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2k3m s ASP 124 N 7.51 -0.19 -0.06 1.09 1.01 -1.26 -4.83 116.67 119.95 2k3m s ASP 124 Ca 0.82 -0.54 -0.05 0.00 0.71 0.00 0.00 52.55 53.49 2k3m s ASP 124 Cb -0.17 0.61 0.02 0.00 1.01 0.00 0.00 42.92 44.39 2k3m s ASP 124 CO 0.17 -1.14 0.15 -0.47 0.21 0.00 0.00 175.17 174.10 2k3m s TYR 125 N -3.46 -0.17 0.03 4.23 5.04 -1.26 -5.08 117.35 116.68 2k3m s TYR 125 Ca 0.12 0.42 -0.13 0.00 -2.44 0.00 0.00 57.07 55.04 2k3m s TYR 125 Cb -0.04 0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.33 2k3m s TYR 125 CO 0.05 -0.09 0.29 1.03 -1.34 0.00 0.00 175.55 175.48 2k3m s ARG 126 N 0.22 0.76 0.00 4.97 1.81 -1.26 -4.92 118.95 120.53 2k3m s ARG 126 Ca -0.01 -0.46 0.00 0.00 -1.72 0.00 0.00 55.73 53.54 2k3m s ARG 126 Cb -0.02 0.33 0.00 0.00 -0.45 0.00 0.00 34.95 34.80 2k3m s ARG 126 CO -0.01 -0.23 0.17 1.97 -0.68 0.00 0.00 175.30 176.52