#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 3.02 0.00 7.83 3.41 -1.26 -4.86 113.62 121.76 2k3m n SER 2 Ca 0.00 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 2k3m n SER 2 Cb 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2k3m n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k3m n ASP 3 N 0.84 0.00 -3.75 4.04 8.00 -1.26 -5.18 116.55 119.24 2k3m n ASP 3 Ca 0.14 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 2k3m n ASP 3 Cb 0.46 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.46 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2k3m s PHE 4 N 0.00 -0.28 -0.02 1.24 5.36 -1.26 -5.17 117.98 117.86 2k3m s PHE 4 Ca 0.00 0.58 -0.22 0.00 -0.96 0.00 0.00 56.93 56.32 2k3m s PHE 4 Cb 0.00 0.12 0.05 0.00 -0.34 0.00 0.00 43.02 42.84 2k3m s PHE 4 CO 0.00 -0.30 0.49 -0.51 -1.46 0.00 0.00 175.22 173.43 2k3m s ASP 5 N -0.66 -0.41 1.15 6.13 1.01 -1.26 -5.06 116.67 117.58 2k3m s ASP 5 Ca -0.08 0.33 -0.16 0.00 0.71 0.00 0.00 52.55 53.36 2k3m s ASP 5 Cb -0.04 0.43 0.26 0.00 1.01 0.00 0.00 42.92 44.58 2k3m s ASP 5 CO 0.03 -0.56 1.06 -0.89 0.21 0.00 0.00 175.17 175.02 2k3m s THR 6 N -1.52 1.79 0.09 -1.27 2.01 -1.26 -4.34 115.64 111.15 2k3m s THR 6 Ca -0.11 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.61 2k3m s THR 6 Cb -0.02 -2.36 -0.14 0.00 0.01 0.00 0.00 72.50 69.99 2k3m s THR 6 CO 0.05 0.00 1.66 -0.08 -0.69 0.00 0.00 174.62 175.56 2k3m h GLU 7 N -2.45 -0.51 0.24 4.92 4.22 -2.02 4.74 114.58 123.73 2k3m h GLU 7 Ca -0.52 0.03 0.01 0.00 0.08 0.00 0.00 59.36 58.96 2k3m h GLU 7 Cb 1.32 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.65 2k3m h GLU 7 CO 0.46 -0.34 -0.43 -0.09 -2.18 0.00 0.00 179.01 176.44 2k3m h ARG 8 N -0.53 -0.72 -0.15 1.92 2.43 -1.96 3.21 114.38 118.59 2k3m h ARG 8 Ca -0.02 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2k3m h ARG 8 Cb 0.46 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2k3m h ARG 8 CO -0.01 -0.48 0.05 -0.39 -1.51 0.00 0.00 179.97 177.64 2k3m h VAL 9 N -0.74 1.17 0.80 0.20 -1.51 -1.88 0.61 116.25 114.90 2k3m h VAL 9 Ca -0.01 -0.51 -0.04 0.00 -1.23 0.00 0.00 66.70 64.92 2k3m h VAL 9 Cb 0.72 1.23 0.01 0.00 -2.13 0.00 0.00 31.29 31.11 2k3m h VAL 9 CO -0.17 0.16 -0.38 -1.28 -1.23 0.00 0.00 177.57 174.66 2k3m h SER 10 N 0.07 -0.90 0.47 4.19 0.87 0.98 0.13 113.55 119.37 2k3m h SER 10 Ca 0.05 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2k3m h SER 10 Cb 0.20 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2k3m h SER 10 CO -0.00 -0.57 -0.23 -0.09 -0.53 0.00 0.00 176.83 175.41 2k3m h ARG 11 N -1.21 -0.61 -0.28 2.24 2.43 0.59 1.54 114.38 119.07 2k3m h ARG 11 Ca -0.11 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2k3m h ARG 11 Cb 0.82 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.44 2k3m h ARG 11 CO 0.18 -0.34 -0.16 0.00 -1.51 0.00 0.00 179.97 178.13 2k3m h ALA 12 N -0.31 0.05 -0.34 2.80 0.00 0.32 2.83 119.26 124.61 2k3m h ALA 12 Ca -0.06 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k3m h ALA 12 Cb 0.55 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2k3m h ALA 12 CO 0.11 -0.56 0.14 -0.39 0.00 0.00 0.00 179.25 178.55 2k3m h VAL 13 N -0.13 1.18 0.80 0.00 -1.51 -0.63 0.66 116.25 116.62 2k3m h VAL 13 Ca 0.15 -0.54 -0.04 0.00 -1.23 0.00 0.00 66.70 65.04 2k3m h VAL 13 Cb 0.36 0.90 0.01 0.00 -2.13 0.00 0.00 31.29 30.43 2k3m h VAL 13 CO -0.36 0.19 -0.39 0.00 -1.23 0.00 0.00 177.57 175.77 2k3m h ALA 14 N 0.99 -1.29 -0.06 5.19 0.00 0.44 2.94 119.26 127.48 2k3m h ALA 14 Ca 0.11 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2k3m h ALA 14 Cb 0.17 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2k3m h ALA 14 CO -0.01 -1.21 -0.33 0.00 0.00 0.00 0.00 179.25 177.70 2k3m h ALA 15 N -1.48 -0.44 0.35 0.00 0.00 0.50 2.05 119.26 120.24 2k3m h ALA 15 Ca -0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 15 Cb 0.83 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2k3m h ALA 15 CO 0.17 -0.83 -0.17 0.00 0.00 0.00 0.00 179.25 178.43 2k3m h ALA 16 N 0.30 -0.47 0.28 0.00 0.00 0.37 2.28 119.26 122.02 2k3m h ALA 16 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 16 Cb 0.56 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2k3m h ALA 16 CO -0.31 -0.71 -0.26 1.25 0.00 0.00 0.00 179.25 179.22 2k3m h LEU 17 N -0.58 -0.70 0.38 0.00 6.46 0.58 1.66 115.31 123.11 2k3m h LEU 17 Ca -0.05 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2k3m h LEU 17 Cb 0.43 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 2k3m h LEU 17 CO 0.08 -0.38 -0.18 -0.37 -0.62 0.00 0.00 178.44 176.96 2k3m h VAL 18 N -0.57 0.38 -0.96 1.05 -1.51 0.33 -3.38 116.25 111.60 2k3m h VAL 18 Ca -0.01 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 2k3m h VAL 18 Cb 0.52 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 2k3m h VAL 18 CO -0.05 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 2k3m n GLY 19 N 0.06 -2.97 0.16 5.19 0.00 0.77 -4.91 105.19 103.48 2k3m n GLY 19 Ca -0.09 -1.33 0.04 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 0.51 1.61 0.13 -1.75 -3.35 132.00 129.15 2k3m h PRO 20 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2k3m h PRO 20 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2k3m h PRO 20 CO 0.00 0.44 -0.37 0.78 -0.23 0.00 0.00 178.00 178.62 2k3m h GLY 21 N 3.19 -0.95 1.00 1.56 0.00 -1.80 2.21 103.07 108.27 2k3m h GLY 21 Ca -0.00 0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.72 2k3m h GLY 21 CO 0.06 -0.34 -0.30 -1.33 0.00 0.00 0.00 176.54 174.63 2k3m h GLY 22 N -0.86 -0.87 1.42 4.60 0.00 0.23 -1.89 103.07 105.69 2k3m h GLY 22 Ca -0.05 0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 2k3m h GLY 22 CO 0.02 -0.32 0.24 -0.39 0.00 0.00 0.00 176.54 176.09 2k3m h VAL 23 N -0.85 1.18 0.64 4.60 -1.51 -1.47 0.20 116.25 119.04 2k3m h VAL 23 Ca -0.09 -0.54 -0.02 0.00 -1.23 0.00 0.00 66.70 64.82 2k3m h VAL 23 Cb 0.65 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.31 2k3m h VAL 23 CO 0.14 0.22 -0.51 0.00 -1.23 0.00 0.00 177.57 176.19 2k3m h ALA 24 N 1.52 -1.21 -0.36 5.19 0.00 0.40 -0.13 119.26 124.67 2k3m h ALA 24 Ca 0.19 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 24 Cb 0.10 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2k3m h ALA 24 CO -0.02 -1.21 -0.03 1.25 0.00 0.00 0.00 179.25 179.24 2k3m h LEU 25 N -1.11 0.65 0.86 0.00 5.85 -1.06 -0.52 115.31 119.98 2k3m h LEU 25 Ca -0.08 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 2k3m h LEU 25 Cb 0.93 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.79 2k3m h LEU 25 CO 0.01 0.82 -0.41 0.58 -0.34 0.00 0.00 178.44 179.10 2k3m h VAL 26 N 0.46 0.13 -0.73 1.05 2.07 -0.55 0.29 116.25 118.97 2k3m h VAL 26 Ca 0.10 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2k3m h VAL 26 Cb 0.51 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2k3m h VAL 26 CO 0.02 0.00 0.41 0.58 0.02 0.00 0.00 177.57 178.61 2k3m h VAL 27 N -1.19 1.21 0.22 2.57 2.07 -1.09 0.62 116.25 120.66 2k3m h VAL 27 Ca -0.12 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2k3m h VAL 27 Cb 0.89 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2k3m h VAL 27 CO 0.19 0.23 -0.10 0.11 0.02 0.00 0.00 177.57 178.02 2k3m h LYS 28 N 1.01 -0.28 -0.14 1.57 1.79 -1.02 0.24 116.57 119.74 2k3m h LYS 28 Ca 0.26 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.73 2k3m h LYS 28 Cb 0.00 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2k3m h LYS 28 CO -0.04 -0.03 0.03 0.28 -1.08 0.00 0.00 179.45 178.60 2k3m h VAL 29 N -0.50 1.22 0.64 0.50 2.07 -0.69 0.44 116.25 119.93 2k3m h VAL 29 Ca -0.03 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 2k3m h VAL 29 Cb 0.38 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2k3m h VAL 29 CO 0.05 0.20 -0.31 0.00 0.02 0.00 0.00 177.57 177.53 2k3m h ALA 31 N -1.34 -0.36 -2.24 0.00 0.00 -0.59 -3.49 119.26 111.23 2k3m h ALA 31 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k3m h ALA 31 Cb 0.66 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2k3m h ALA 31 CO 0.15 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 179.27 2k3m n GLY 32 N -0.33 -0.13 1.39 0.00 0.00 0.16 -4.77 105.19 101.51 2k3m n GLY 32 Ca -0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.61 -2.73 0.19 0.99 4.77 -1.26 -4.72 117.00 113.63 2k3m n LEU 33 Ca 0.00 0.43 0.07 0.00 -0.03 0.00 0.00 56.01 56.49 2k3m n LEU 33 Cb 0.24 -1.37 0.39 0.00 -2.33 0.00 0.00 43.42 40.35 2k3m n LEU 33 CO 0.00 -0.55 0.84 -0.65 -1.33 0.00 0.00 177.39 175.70 2k3m h PRO 34 N 0.69 0.00 0.51 3.23 0.11 -1.91 -2.62 132.00 132.01 2k3m h PRO 34 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 2k3m h PRO 34 Cb 0.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 2k3m h PRO 34 CO 0.00 0.00 -0.41 0.78 -0.21 0.00 0.00 178.00 178.16 2k3m h GLY 35 N 0.00 -1.02 0.00 -0.55 0.00 -1.88 -3.42 103.07 96.20 2k3m h GLY 35 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2k3m h GLY 35 CO 0.00 -0.35 0.00 1.55 0.00 0.00 0.00 176.54 177.74 2k3m n VAL 36 N -5.52 0.00 -2.14 4.60 3.14 -0.99 -4.95 118.33 112.48 2k3m n VAL 36 Ca -0.12 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.23 2k3m n VAL 36 Cb 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 2k3m n VAL 36 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k3m n ILE 37 N 0.00 -6.31 -3.95 1.55 0.13 -1.26 -5.02 119.36 104.50 2k3m n ILE 37 Ca 0.00 0.41 -0.16 0.00 -1.10 0.00 0.00 62.75 61.90 2k3m n ILE 37 Cb 0.00 -5.56 -0.16 0.00 -0.84 0.00 0.00 39.64 33.08 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 2.80 0.00 0.00 176.55 178.35 2k3m s HIS 38 N -1.80 0.30 -0.16 9.51 3.76 -1.26 -5.10 115.29 120.54 2k3m s HIS 38 Ca 0.12 -0.01 -0.00 0.00 -0.15 0.00 0.00 55.06 55.01 2k3m s HIS 38 Cb -0.03 -0.35 0.04 0.00 1.11 0.00 0.00 32.58 33.34 2k3m s HIS 38 CO 0.36 -0.10 -0.06 0.99 -0.85 0.00 0.00 174.74 175.09 2k3m s THR 39 N 0.78 1.11 0.05 1.30 2.01 -1.26 -5.06 115.64 114.57 2k3m s THR 39 Ca -0.08 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 2k3m s THR 39 Cb -0.11 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 2k3m s THR 39 CO -0.01 0.16 1.18 -0.65 -0.69 0.00 0.00 174.62 174.60 2k3m h PRO 40 N 8.12 -0.06 -6.34 4.92 0.11 -2.07 -3.37 132.00 133.31 2k3m h PRO 40 Ca -0.25 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.30 2k3m h PRO 40 Cb 1.11 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 2k3m h PRO 40 CO 0.40 -0.04 0.97 0.00 -0.21 0.00 0.00 178.00 179.12 2k3m s ALA 41 N -4.43 3.38 0.05 -0.75 0.00 -1.26 -4.95 121.76 113.80 2k3m s ALA 41 Ca -0.04 0.14 -0.27 0.00 0.00 0.00 0.00 51.96 51.78 2k3m s ALA 41 Cb 0.03 -3.77 0.09 0.00 0.00 0.00 0.00 23.12 19.47 2k3m s ALA 41 CO 0.21 -1.74 0.87 -0.98 0.00 0.00 0.00 175.76 174.12 2k3m s ARG 42 N 4.14 0.97 0.00 0.00 1.70 -1.26 -4.99 118.95 119.51 2k3m s ARG 42 Ca 0.57 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 55.41 2k3m s ARG 42 Cb -0.17 0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.62 2k3m s ARG 42 CO 0.23 -0.43 0.17 0.54 -1.08 0.00 0.00 175.30 174.72 2k3m n ARG 43 N -0.31 0.30 0.00 3.89 1.74 -1.26 -4.71 116.66 116.31 2k3m n ARG 43 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2k3m n ARG 43 Cb 0.62 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 2k3m n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k3m n GLY 44 N 0.27 1.41 3.39 -0.13 0.00 -1.26 -4.80 105.19 104.07 2k3m n GLY 44 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2k3m n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k3m s PHE 45 N -0.18 -0.44 0.00 1.61 2.19 -1.26 -5.04 117.98 114.87 2k3m s PHE 45 Ca 0.00 0.69 0.00 0.00 0.33 0.00 0.00 56.93 57.95 2k3m s PHE 45 Cb 0.00 0.27 0.00 0.00 -1.31 0.00 0.00 43.02 41.98 2k3m s PHE 45 CO 0.00 -0.53 0.00 0.34 1.83 0.00 0.00 175.22 176.86 2k3m n PHE 46 N 0.98 0.00 -1.35 10.12 7.35 -1.26 -5.02 117.46 128.28 2k3m n PHE 46 Ca -0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.49 2k3m n PHE 46 Cb 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.40 2k3m n PHE 46 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 2k3m n ARG 47 N 0.00 -2.59 -2.29 -4.13 1.85 -1.26 -4.89 116.66 103.35 2k3m n ARG 47 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.80 2k3m n ARG 47 Cb 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.43 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k3m s ASN 49 N -2.97 -0.47 -0.32 0.00 2.47 -1.26 -5.06 114.94 107.34 2k3m s ASN 49 Ca 0.15 0.84 -0.22 0.00 0.42 0.00 0.00 52.86 54.05 2k3m s ASN 49 Cb -0.02 0.76 -0.25 0.00 -1.45 0.00 0.00 41.25 40.30 2k3m s ASN 49 CO 0.35 -0.17 1.53 -0.81 -3.72 0.00 0.00 177.10 174.27 2k3m n PRO 50 N 3.81 0.03 -2.91 0.43 -0.04 -1.26 -3.77 135.00 131.30 2k3m n PRO 50 Ca -0.20 -0.96 -0.00 0.00 -0.04 0.00 0.00 63.50 62.29 2k3m n PRO 50 Cb 0.56 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 7.04 -1.20 -3.95 0.54 -0.58 -1.26 -5.01 120.64 116.22 2k3m n GLU 51 Ca 0.34 1.39 -0.10 0.00 -0.42 0.00 0.00 57.16 58.37 2k3m n GLU 51 Cb 0.42 -5.34 -0.10 0.00 -0.57 0.00 0.00 31.44 25.84 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2k3m s ARG 52 N -3.03 0.39 0.20 3.49 3.00 -1.25 -5.04 118.95 116.72 2k3m s ARG 52 Ca 0.01 -0.58 -0.30 0.00 0.00 0.00 0.00 55.73 54.86 2k3m s ARG 52 Cb -0.00 0.15 -0.08 0.00 0.00 0.00 0.00 34.95 35.02 2k3m s ARG 52 CO 0.67 -0.08 1.13 -1.50 0.00 0.00 0.00 175.30 175.53 2k3m s ILE 53 N -1.61 3.70 -1.05 1.52 -1.16 -1.26 -4.88 121.20 116.46 2k3m s ILE 53 Ca -0.14 1.50 -0.26 0.00 -0.51 0.00 0.00 60.65 61.24 2k3m s ILE 53 Cb -0.08 -3.96 -0.18 0.00 0.61 0.00 0.00 42.46 38.86 2k3m s ILE 53 CO -0.01 0.27 2.11 0.00 -2.81 0.00 0.00 174.94 174.51 2k3m s GLN 54 N -0.53 1.57 0.09 3.50 -2.07 -1.26 -4.81 119.66 116.15 2k3m s GLN 54 Ca 0.49 -0.45 -0.12 0.00 -1.82 0.00 0.00 55.36 53.47 2k3m s GLN 54 Cb -0.31 -5.01 0.01 0.00 -1.09 0.00 0.00 33.01 26.61 2k3m s GLN 54 CO 0.37 -4.95 0.27 -1.50 -1.32 0.00 0.00 175.29 168.16 2k3m s ILE 55 N 15.17 0.11 0.00 3.63 2.07 -1.26 -4.93 121.20 135.99 2k3m s ILE 55 Ca 0.80 -0.90 0.00 0.00 -1.41 0.00 0.00 60.65 59.13 2k3m s ILE 55 Cb -0.05 -1.21 0.00 0.00 0.13 0.00 0.00 42.46 41.33 2k3m s ILE 55 CO 0.15 -0.50 0.00 0.61 -1.91 0.00 0.00 174.94 173.29 2k3m n GLY 56 N 0.01 0.84 3.52 1.50 0.00 -1.26 -5.05 105.19 104.74 2k3m n GLY 56 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2k3m n GLY 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k3m s ASP 57 N -1.41 6.21 0.75 1.61 2.15 -1.26 -4.99 116.67 119.73 2k3m s ASP 57 Ca 0.00 -0.77 -0.06 0.00 0.43 0.00 0.00 52.55 52.15 2k3m s ASP 57 Cb 0.00 -2.51 0.11 0.00 -0.30 0.00 0.00 42.92 40.22 2k3m s ASP 57 CO 0.00 -1.66 1.05 0.26 -0.17 0.00 0.00 175.17 174.66 2k3m s TRP 58 N 5.03 2.15 -0.14 -5.34 0.51 -1.26 -5.06 118.94 114.82 2k3m s TRP 58 Ca 0.32 0.11 -0.11 0.00 -2.12 0.00 0.00 56.10 54.30 2k3m s TRP 58 Cb -0.10 -3.28 -0.08 0.00 -0.81 0.00 0.00 33.47 29.20 2k3m s TRP 58 CO 0.10 -1.74 0.05 0.07 -0.51 0.00 0.00 176.95 174.93 2k3m h ARG 59 N -0.74 0.00 0.00 4.98 0.11 -2.01 -3.37 114.38 113.35 2k3m h ARG 59 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 2k3m h ARG 59 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2k3m h ARG 59 CO 0.48 0.30 -1.07 0.98 0.10 0.00 0.00 179.97 180.76 2k3m n TYR 60 N -4.63 0.54 0.68 4.08 9.36 -1.26 -3.99 117.16 121.95 2k3m n TYR 60 Ca -0.10 0.16 0.13 0.00 3.32 0.00 0.00 57.90 61.41 2k3m n TYR 60 Cb 0.30 -0.67 0.45 0.00 -0.63 0.00 0.00 39.34 38.78 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 -2.28 0.21 -0.13 2.98 2.13 -1.26 -4.01 120.64 118.27 2k3m n GLU 61 Ca 0.01 0.19 -0.08 0.00 0.66 0.00 0.00 57.16 57.93 2k3m n GLU 61 Cb 0.49 -1.75 -0.02 0.00 0.27 0.00 0.00 31.44 30.43 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 0.17 0.28 6.31 -1.51 -1.73 1.53 116.25 121.30 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 0.68 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 2k3m h VAL 62 CO 0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 177.57 176.21 2k3m h ALA 63 N 0.66 -0.37 -0.54 5.19 0.00 -1.86 4.27 119.26 126.60 2k3m h ALA 63 Ca 0.17 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2k3m h ALA 63 Cb 0.56 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 2k3m h ALA 63 CO -0.57 -0.49 -0.50 1.25 0.00 0.00 0.00 179.25 178.93 2k3m h HIS 64 N -0.81 -1.53 -0.05 0.00 6.17 -1.57 2.20 115.15 119.56 2k3m h HIS 64 Ca -0.04 0.09 -0.07 0.00 0.71 0.00 0.00 60.37 61.06 2k3m h HIS 64 Cb 0.51 0.74 0.00 0.00 2.52 0.00 0.00 27.41 31.18 2k3m h HIS 64 CO 0.04 -0.45 -0.22 0.22 0.71 0.00 0.00 177.93 178.23 2k3m h ASP 65 N -0.29 0.29 0.00 3.26 3.58 0.21 -2.86 116.42 120.62 2k3m h ASP 65 Ca 0.13 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 56.93 2k3m h ASP 65 Cb 0.57 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2k3m h ASP 65 CO -0.67 0.89 0.00 0.61 -2.88 0.00 0.00 179.24 177.19 2k3m n GLY 66 N 0.68 1.37 0.00 -0.78 0.00 1.40 -3.22 105.19 104.64 2k3m n GLY 66 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 0.39 0.60 -0.36 1.61 5.12 0.73 -3.99 116.66 120.76 2k3m n ARG 67 Ca 0.00 0.00 0.30 0.00 -1.93 0.00 0.00 57.85 56.22 2k3m n ARG 67 Cb 0.30 -1.24 0.47 0.00 -1.16 0.00 0.00 32.46 30.83 2k3m n ARG 67 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2k3m n LEU 68 N -0.74 0.00 0.24 0.55 -0.00 -1.20 0.21 117.00 116.06 2k3m n LEU 68 Ca 0.07 0.63 -0.09 0.00 -0.00 0.00 0.00 56.01 56.62 2k3m n LEU 68 Cb 0.03 -0.28 -0.04 0.00 -0.00 0.00 0.00 43.42 43.12 2k3m n LEU 68 CO 0.05 -0.63 0.46 -0.07 -0.00 0.00 0.00 177.39 177.20 2k3m h LEU 69 N 0.00 -0.51 0.00 1.47 4.07 -1.92 -1.30 115.31 117.11 2k3m h LEU 69 Ca 0.54 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.51 2k3m h LEU 69 Cb 2.42 0.13 0.00 0.00 1.08 0.00 0.00 40.66 44.29 2k3m h LEU 69 CO -0.01 -0.34 0.00 0.00 -1.08 0.00 0.00 178.44 177.02 2k3m n ALA 70 N -2.35 -0.05 0.00 1.53 0.00 0.56 -3.79 120.51 116.42 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 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.36 0.05 -0.52 0.00 0.00 0.17 -4.38 120.51 114.47 2k3m n ALA 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3m n ALA 71 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.38 0.00 0.17 0.00 1.44 -0.49 0.74 115.22 116.69 2k3m n HIS 72 Ca 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 2k3m n HIS 72 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 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 -0.39 -1.16 -1.40 2.86 -1.86 -2.99 114.93 110.00 2k3m h MET 73 Ca 0.00 0.03 0.34 0.00 -2.06 0.00 0.00 59.70 58.00 2k3m h MET 73 Cb 0.00 0.09 -0.10 0.00 0.06 0.00 0.00 31.60 31.64 2k3m h MET 73 CO 0.00 -0.13 0.75 -0.39 1.06 0.00 0.00 176.91 178.20 2k3m h VAL 74 N -0.60 0.36 0.00 -2.22 -1.51 -1.77 -0.00 116.25 110.52 2k3m h VAL 74 Ca -0.04 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 2k3m h VAL 74 Cb 0.43 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.68 2k3m h VAL 74 CO 0.07 0.05 0.47 0.59 -1.23 0.00 0.00 177.57 177.51 2k3m n ASN 75 N -4.63 0.00 0.17 4.19 4.13 0.23 -1.50 115.26 117.85 2k3m n ASN 75 Ca 0.30 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.66 2k3m n ASN 75 Cb 1.11 0.00 0.24 0.00 -1.54 0.00 0.00 39.78 39.59 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2k3m h GLY 76 N 0.00 0.00 0.26 7.41 0.00 -1.21 2.22 103.07 111.75 2k3m h GLY 76 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k3m h GLY 76 CO 0.00 0.00 -0.04 0.16 0.00 0.00 0.00 176.54 176.66 2k3m h ILE 77 N 0.00 1.08 -1.60 2.60 3.07 -1.55 -2.28 117.51 118.83 2k3m h ILE 77 Ca 0.14 -1.43 0.47 0.00 1.55 0.00 0.00 64.86 65.59 2k3m h ILE 77 Cb 2.08 1.89 -0.07 0.00 -0.27 0.00 0.00 36.82 40.46 2k3m h ILE 77 CO -0.00 0.31 1.15 0.55 -1.05 0.00 0.00 178.15 179.11 2k3m n VAL 78 N -4.82 -0.00 -0.04 0.16 3.14 0.75 0.49 118.33 118.01 2k3m n VAL 78 Ca -0.08 1.22 -0.05 0.00 -2.96 0.00 0.00 64.34 62.47 2k3m n VAL 78 Cb 0.29 -2.03 -0.14 0.00 -1.06 0.00 0.00 33.84 30.91 2k3m n VAL 78 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k3m n ILE 79 N -3.58 1.29 0.92 1.55 -5.35 -1.22 -4.19 119.36 108.79 2k3m n ILE 79 Ca 0.36 -0.77 0.12 0.00 -0.27 0.00 0.00 62.75 62.20 2k3m n ILE 79 Cb 1.64 -0.67 0.32 0.00 -1.74 0.00 0.00 39.64 39.19 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 -2.56 3.17 -0.05 -1.28 0.00 1.82 -2.13 120.51 119.47 2k3m n ALA 80 Ca -0.20 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2k3m n ALA 80 Cb 1.00 -1.21 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 0.39 0.00 0.00 0.00 177.50 177.89 2k3m n GLU 81 N -1.61 0.00 0.05 0.00 1.02 0.83 -4.30 120.64 116.63 2k3m n GLU 81 Ca 0.05 0.40 0.13 0.00 -0.02 0.00 0.00 57.16 57.72 2k3m n GLU 81 Cb 0.35 -0.89 0.49 0.00 -0.02 0.00 0.00 31.44 31.38 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2k3m n ASP 82 N -2.00 0.38 -0.04 1.62 5.75 -1.26 -4.23 116.55 116.77 2k3m n ASP 82 Ca 0.00 0.55 0.03 0.00 -0.01 0.00 0.00 54.79 55.35 2k3m n ASP 82 Cb 0.00 -0.64 0.05 0.00 -1.03 0.00 0.00 41.12 39.50 2k3m n ASP 82 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k3m n ALA 83 N -1.64 0.09 -0.44 2.12 0.00 -0.90 -0.63 120.51 119.10 2k3m n ALA 83 Ca 0.06 0.13 0.36 0.00 0.00 0.00 0.00 53.44 53.99 2k3m n ALA 83 Cb 0.35 -0.11 0.60 0.00 0.00 0.00 0.00 19.45 20.29 2k3m n ALA 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k3m n LEU 84 N -3.66 0.15 -0.13 0.00 7.94 -1.26 0.27 117.00 120.30 2k3m n LEU 84 Ca 0.04 1.12 -0.20 0.00 -1.11 0.00 0.00 56.01 55.86 2k3m n LEU 84 Cb 0.12 -0.55 -0.12 0.00 0.53 0.00 0.00 43.42 43.40 2k3m n LEU 84 CO -0.01 -1.20 -1.37 2.30 -1.11 0.00 0.00 177.39 176.00 2k3m n ILE 85 N -4.26 1.50 0.37 1.96 -5.35 0.19 -3.80 119.36 109.97 2k3m n ILE 85 Ca 0.35 -0.54 -0.18 0.00 -0.27 0.00 0.00 62.75 62.11 2k3m n ILE 85 Cb 1.41 -1.50 -0.09 0.00 -1.74 0.00 0.00 39.64 37.72 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m h ALA 86 N -0.17 -0.93 0.00 -1.28 0.00 0.38 -2.86 119.26 114.40 2k3m h ALA 86 Ca -0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 2k3m h ALA 86 Cb 1.85 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 20.02 2k3m h ALA 86 CO -0.15 -1.02 -0.08 1.49 0.00 0.00 0.00 179.25 179.49 2k3m h GLU 87 N -0.92 0.00 0.00 0.00 4.81 0.35 -2.32 114.58 116.50 2k3m h GLU 87 Ca -0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2k3m h GLU 87 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2k3m h GLU 87 CO 0.13 0.08 0.00 0.00 -0.73 0.00 0.00 179.01 178.50 2k3m n ALA 88 N -2.14 2.14 -1.60 2.92 0.00 -1.10 -2.06 120.51 118.67 2k3m n ALA 88 Ca 0.01 -0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 2k3m n ALA 88 Cb 0.36 -1.36 0.09 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.27 2.99 0.06 0.00 0.24 -0.87 -4.66 118.33 114.83 2k3m n VAL 89 Ca 0.11 -3.30 -0.14 0.00 -2.04 0.00 0.00 64.34 58.96 2k3m n VAL 89 Cb 0.17 -0.94 -0.05 0.00 -1.47 0.00 0.00 33.84 31.55 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 1.80 0.50 0.79 7.63 0.00 -1.56 -3.04 103.07 109.20 2k3m h GLY 90 Ca 0.45 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2k3m h GLY 90 CO 1.02 0.78 0.27 -1.05 0.00 0.00 0.00 176.54 177.56 2k3m n PRO 91 N -3.76 0.00 0.25 4.80 -0.02 -1.26 -0.05 135.00 134.96 2k3m n PRO 91 Ca -0.07 0.19 0.14 0.00 -2.02 0.00 0.00 63.50 61.73 2k3m n PRO 91 Cb 0.84 -1.77 0.72 0.00 -0.02 0.00 0.00 33.50 33.27 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 0.75 6.00 2.07 -1.91 0.08 115.15 122.14 2k3m h HIS 92 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 2k3m h HIS 92 Cb 0.54 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.53 2k3m h HIS 92 CO 0.00 0.00 -0.36 1.37 -3.07 0.00 0.00 177.93 175.87 2k3m h LEU 93 N 0.00 -0.85 -0.07 6.12 8.10 -0.75 1.82 115.31 129.69 2k3m h LEU 93 Ca 0.00 0.01 0.02 0.00 0.11 0.00 0.00 57.88 58.02 2k3m h LEU 93 Cb 0.35 0.22 -0.03 0.00 -0.44 0.00 0.00 40.66 40.76 2k3m h LEU 93 CO 0.00 -0.51 -0.08 0.00 -4.11 0.00 0.00 178.44 173.74 2k3m h ALA 94 N -1.04 -0.03 0.56 0.17 0.00 -1.24 -0.89 119.26 116.79 2k3m h ALA 94 Ca -0.10 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 94 Cb 0.79 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k3m h ALA 94 CO 0.17 -0.55 -0.30 0.00 0.00 0.00 0.00 179.25 178.57 2k3m h ARG 95 N -0.11 -0.76 0.00 0.00 3.08 -1.44 0.61 114.38 115.76 2k3m h ARG 95 Ca 0.05 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2k3m h ARG 95 Cb 0.18 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2k3m h ARG 95 CO -0.13 -0.51 0.44 0.00 -1.07 0.00 0.00 179.97 178.71 2k3m n ALA 96 N -2.47 0.35 0.00 0.04 0.00 0.62 -4.30 120.51 114.75 2k3m n ALA 96 Ca -0.12 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k3m n ALA 96 Cb 0.33 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.69 0.00 0.09 0.00 -0.00 0.21 0.33 117.00 115.94 2k3m n LEU 97 Ca -0.00 0.00 0.20 0.00 -0.00 0.00 0.00 56.01 56.20 2k3m n LEU 97 Cb 0.45 0.00 0.63 0.00 -0.00 0.00 0.00 43.42 44.50 2k3m n LEU 97 CO 0.02 0.00 1.17 1.23 -0.00 0.00 0.00 177.39 179.82 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.85 6.57 103.07 105.83 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 -0.33 4.80 5.75 0.52 0.43 115.11 126.27 2k3m h GLN 99 Ca 0.21 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.68 2k3m h GLN 99 Cb 1.50 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.04 2k3m h GLN 99 CO -0.00 0.00 0.10 0.97 -2.65 0.00 0.00 178.83 177.25 2k3m h ILE 100 N 0.00 1.21 0.33 2.39 6.09 1.35 -2.43 117.51 126.44 2k3m h ILE 100 Ca 0.00 -0.67 -0.01 0.00 -1.37 0.00 0.00 64.86 62.81 2k3m h ILE 100 Cb 0.25 1.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.54 2k3m h ILE 100 CO 0.00 0.23 -0.44 0.58 -3.07 0.00 0.00 178.15 175.45 2k3m h VAL 101 N 0.38 0.00 -0.24 2.19 2.07 -0.92 0.46 116.25 120.19 2k3m h VAL 101 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.70 2k3m h VAL 101 Cb 0.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2k3m h VAL 101 CO -0.00 0.00 0.75 0.00 0.02 0.00 0.00 177.57 178.34 2k3m h ARG 103 N 0.00 0.19 -0.59 0.00 2.43 -0.26 -3.16 114.38 112.99 2k3m h ARG 103 Ca 0.12 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 2k3m h ARG 103 Cb 1.61 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 31.25 2k3m h ARG 103 CO -0.00 1.16 0.07 2.48 -1.51 0.00 0.00 179.97 182.17 2k3m n TYR 104 N -3.87 2.08 0.00 2.20 0.18 0.16 -4.82 117.16 113.09 2k3m n TYR 104 Ca -0.30 -0.88 0.00 0.00 1.88 0.00 0.00 57.90 58.60 2k3m n TYR 104 Cb 0.91 -0.55 0.00 0.00 -0.38 0.00 0.00 39.34 39.32 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k3m n GLY 105 N 0.29 -0.60 2.20 -7.48 0.00 1.44 -4.91 105.19 96.13 2k3m n GLY 105 Ca 0.31 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.75 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 -3.00 -1.32 -0.04 4.61 0.00 -1.07 -4.87 120.51 114.83 2k3m n ALA 106 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 2k3m n ALA 106 Cb 0.00 -2.56 -0.00 0.00 0.00 0.00 0.00 19.45 16.89 2k3m n ALA 106 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2k3m h THR 107 N -0.41 0.00 0.00 0.00 1.35 -1.91 -3.34 112.91 108.60 2k3m h THR 107 Ca -0.24 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 2k3m h THR 107 Cb 1.12 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 2k3m h THR 107 CO 0.17 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.77 2k3m n VAL 108 N -4.06 0.06 -0.00 6.82 0.24 -1.26 -2.96 118.33 117.17 2k3m n VAL 108 Ca -0.01 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.25 2k3m n VAL 108 Cb 0.04 -0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.14 2k3m n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k3m n ILE 109 N 0.49 1.03 -0.32 1.34 3.06 -1.26 -4.55 119.36 119.16 2k3m n ILE 109 Ca 0.00 0.21 0.13 0.00 -2.50 0.00 0.00 62.75 60.59 2k3m n ILE 109 Cb 0.08 -1.73 0.36 0.00 0.54 0.00 0.00 39.64 38.89 2k3m n ILE 109 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 2k3m h PRO 110 N -0.25 0.70 0.13 9.51 0.13 -1.65 1.66 132.00 142.22 2k3m h PRO 110 Ca -0.05 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 2k3m h PRO 110 Cb 0.53 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.50 2k3m h PRO 110 CO -0.03 0.46 -0.06 -0.91 -0.23 0.00 0.00 178.00 177.23 2k3m h ASN 111 N 0.72 -0.15 -0.96 1.44 4.21 -1.86 -0.90 115.58 118.08 2k3m h ASN 111 Ca 0.53 0.01 0.17 0.00 1.21 0.00 0.00 56.30 58.22 2k3m h ASN 111 Cb 0.88 0.04 -0.10 0.00 -1.12 0.00 0.00 38.32 38.01 2k3m h ASN 111 CO -0.30 -0.07 0.56 0.16 -1.29 0.00 0.00 177.43 176.49 2k3m h ILE 112 N -0.24 0.72 -0.66 2.81 3.07 -1.77 0.13 117.51 121.57 2k3m h ILE 112 Ca -0.02 -0.25 0.13 0.00 1.55 0.00 0.00 64.86 66.27 2k3m h ILE 112 Cb 0.13 -0.08 -0.13 0.00 -0.27 0.00 0.00 36.82 36.48 2k3m h ILE 112 CO 0.03 0.13 -0.25 -1.13 -1.05 0.00 0.00 178.15 175.88 2k3m h ASN 113 N 0.73 -0.88 0.25 2.16 -0.73 0.26 3.39 115.58 120.76 2k3m h ASN 113 Ca 0.54 0.22 -0.03 0.00 1.87 0.00 0.00 56.30 58.90 2k3m h ASN 113 Cb 0.80 0.50 -0.00 0.00 0.27 0.00 0.00 38.32 39.89 2k3m h ASN 113 CO -0.37 -0.27 -0.15 0.00 -0.37 0.00 0.00 177.43 176.27 2k3m h ALA 114 N 1.39 1.49 0.19 1.57 0.00 0.47 0.94 119.26 125.32 2k3m h ALA 114 Ca 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2k3m h ALA 114 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k3m h ALA 114 CO -0.71 0.19 -0.09 0.00 0.00 0.00 0.00 179.25 178.64 2k3m h ALA 115 N 1.85 -0.26 -0.91 0.00 0.00 0.58 -3.08 119.26 117.44 2k3m h ALA 115 Ca -0.00 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.08 2k3m h ALA 115 Cb 0.32 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.08 2k3m h ALA 115 CO 0.02 -0.25 0.41 0.82 0.00 0.00 0.00 179.25 180.25 2k3m h ILE 116 N -1.01 0.46 -0.95 0.00 5.03 0.36 1.66 117.51 123.06 2k3m h ILE 116 Ca -0.03 -0.14 0.13 0.00 -0.12 0.00 0.00 64.86 64.71 2k3m h ILE 116 Cb 0.19 0.03 -0.14 0.00 -3.03 0.00 0.00 36.82 33.87 2k3m h ILE 116 CO 0.04 0.07 -0.42 1.21 -0.68 0.00 0.00 178.15 178.38 2k3m n GLU 117 N -5.05 -0.27 0.11 2.37 2.13 0.33 0.29 120.64 120.55 2k3m n GLU 117 Ca 0.23 1.45 -0.12 0.00 0.66 0.00 0.00 57.16 59.38 2k3m n GLU 117 Cb 0.68 -2.15 -0.07 0.00 0.27 0.00 0.00 31.44 30.17 2k3m n GLU 117 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k3m h VAL 118 N 0.00 0.69 0.00 6.31 2.07 0.20 0.39 116.25 125.91 2k3m h VAL 118 Ca 0.29 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2k3m h VAL 118 Cb 0.52 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2k3m h VAL 118 CO -0.93 0.15 0.00 0.25 0.02 0.00 0.00 177.57 177.07 2k3m h LEU 119 N -0.85 0.00 0.00 2.57 7.12 0.44 -3.30 115.31 121.29 2k3m h LEU 119 Ca -0.03 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.98 2k3m h LEU 119 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2k3m h LEU 119 CO 0.06 0.00 -0.95 0.61 -0.13 0.00 0.00 178.44 178.03 2k3m n GLY 120 N -1.05 0.00 0.00 3.75 0.00 0.82 -4.97 105.19 103.74 2k3m n GLY 120 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.65 0.00 0.00 2.61 -1.04 0.14 -4.74 114.28 108.60 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 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 1.93 3.48 3.41 0.00 -1.25 -4.68 105.19 108.09 2k3m n GLY 122 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.57 0.00 -3.84 2.61 5.66 -1.26 -4.63 114.28 111.26 2k3m n THR 123 Ca 0.00 -0.22 -0.03 0.00 -3.05 0.00 0.00 64.05 60.74 2k3m n THR 123 Cb 0.00 -1.54 0.01 0.00 -1.55 0.00 0.00 70.33 67.25 2k3m n THR 123 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2k3m s ASP 124 N 7.14 -0.05 -0.00 1.09 1.47 -1.26 -4.75 116.67 120.31 2k3m s ASP 124 Ca 0.74 -0.61 0.00 0.00 1.18 0.00 0.00 52.55 53.87 2k3m s ASP 124 Cb -0.11 0.50 0.00 0.00 -0.34 0.00 0.00 42.92 42.97 2k3m s ASP 124 CO 0.16 -0.98 -0.01 -0.47 0.68 0.00 0.00 175.17 174.55 2k3m s TYR 125 N -2.49 0.14 -0.04 2.11 6.14 -1.26 -5.07 117.35 116.87 2k3m s TYR 125 Ca 0.19 -0.02 -0.08 0.00 0.64 0.00 0.00 57.07 57.80 2k3m s TYR 125 Cb -0.02 -0.11 0.01 0.00 0.42 0.00 0.00 41.96 42.26 2k3m s TYR 125 CO 0.04 -0.01 0.19 1.03 0.64 0.00 0.00 175.55 177.44 2k3m s ARG 126 N 0.09 0.38 0.00 4.97 1.81 -1.26 -4.98 118.95 119.96 2k3m s ARG 126 Ca -0.01 -0.05 0.18 0.00 -1.72 0.00 0.00 55.73 54.13 2k3m s ARG 126 Cb -0.02 0.17 0.14 0.00 -0.45 0.00 0.00 34.95 34.79 2k3m s ARG 126 CO -0.00 -0.08 1.07 1.97 -0.68 0.00 0.00 175.30 177.57