#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 3.26 0.00 7.83 3.41 -1.26 -4.86 113.62 122.00 2k3m n SER 2 Ca 0.00 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 2k3m n SER 2 Cb 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 0.60 0.00 -3.78 4.04 9.92 -1.26 -5.18 116.55 120.89 2k3m n ASP 3 Ca 0.15 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.28 2k3m n ASP 3 Cb 0.52 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.90 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2k3m s PHE 4 N 0.00 -0.24 -0.04 1.24 5.36 -1.26 -5.17 117.98 117.87 2k3m s PHE 4 Ca 0.00 0.54 -0.20 0.00 -0.96 0.00 0.00 56.93 56.30 2k3m s PHE 4 Cb 0.00 0.09 0.04 0.00 -0.34 0.00 0.00 43.02 42.81 2k3m s PHE 4 CO 0.00 -0.23 0.45 0.16 -1.46 0.00 0.00 175.22 174.14 2k3m s ASP 5 N -0.40 -0.38 1.21 6.13 1.47 -1.26 -5.06 116.67 118.38 2k3m s ASP 5 Ca -0.05 0.38 -0.18 0.00 1.18 0.00 0.00 52.55 53.88 2k3m s ASP 5 Cb -0.03 0.45 0.26 0.00 -0.34 0.00 0.00 42.92 43.26 2k3m s ASP 5 CO 0.02 -0.47 0.97 0.35 0.68 0.00 0.00 175.17 176.71 2k3m n THR 6 N 1.31 0.00 0.30 2.11 -2.24 -1.26 -4.21 114.28 110.28 2k3m n THR 6 Ca -0.20 -0.44 -0.17 0.00 -2.27 0.00 0.00 64.05 60.97 2k3m n THR 6 Cb 0.56 -1.23 -0.08 0.00 -2.10 0.00 0.00 70.33 67.48 2k3m n THR 6 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2k3m h GLU 7 N 0.00 -0.76 -0.09 -0.78 4.22 -2.01 6.47 114.58 121.64 2k3m h GLU 7 Ca -0.36 0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.17 2k3m h GLU 7 Cb 1.09 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 2k3m h GLU 7 CO 0.24 -0.51 -0.39 -0.09 -2.18 0.00 0.00 179.01 176.08 2k3m h ARG 8 N -0.79 -0.47 -0.02 1.92 2.43 -1.96 1.78 114.38 117.28 2k3m h ARG 8 Ca -0.06 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2k3m h ARG 8 Cb 0.64 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2k3m h ARG 8 CO 0.07 -0.31 0.00 0.28 -1.51 0.00 0.00 179.97 178.50 2k3m h VAL 9 N -0.49 1.24 0.29 0.20 2.07 -1.87 -1.80 116.25 115.88 2k3m h VAL 9 Ca 0.07 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2k3m h VAL 9 Cb 0.61 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2k3m h VAL 9 CO -0.36 0.19 -0.14 -1.28 0.02 0.00 0.00 177.57 176.00 2k3m h SER 10 N -0.26 -0.33 0.64 0.57 0.87 1.41 -2.69 113.55 113.77 2k3m h SER 10 Ca 0.01 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 2k3m h SER 10 Cb 0.30 0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2k3m h SER 10 CO 0.00 -0.15 -0.31 -0.09 -0.53 0.00 0.00 176.83 175.76 2k3m h ARG 11 N -0.56 -0.83 -0.55 2.24 2.43 0.26 1.37 114.38 118.74 2k3m h ARG 11 Ca -0.04 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 2k3m h ARG 11 Cb 0.30 0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 29.94 2k3m h ARG 11 CO 0.07 -0.52 -0.07 0.00 -1.51 0.00 0.00 179.97 177.94 2k3m h ALA 12 N -0.99 0.45 -0.14 2.80 0.00 -0.76 2.53 119.26 123.15 2k3m h ALA 12 Ca -0.09 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2k3m h ALA 12 Cb 0.70 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k3m h ALA 12 CO 0.14 -0.42 0.09 0.28 0.00 0.00 0.00 179.25 179.34 2k3m h VAL 13 N 0.05 1.06 0.60 0.00 2.07 -1.37 1.04 116.25 119.70 2k3m h VAL 13 Ca 0.27 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 2k3m h VAL 13 Cb 0.43 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2k3m h VAL 13 CO -0.52 0.06 -0.40 0.00 0.02 0.00 0.00 177.57 176.73 2k3m h ALA 14 N 1.02 -1.18 -0.09 1.67 0.00 0.79 3.23 119.26 124.69 2k3m h ALA 14 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 14 Cb 0.02 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2k3m h ALA 14 CO -0.01 -1.16 -0.30 0.00 0.00 0.00 0.00 179.25 177.79 2k3m h ALA 15 N -1.26 -0.36 0.47 0.00 0.00 0.41 1.84 119.26 120.36 2k3m h ALA 15 Ca -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2k3m h ALA 15 Cb 0.77 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2k3m h ALA 15 CO 0.06 -0.78 -0.23 0.00 0.00 0.00 0.00 179.25 178.30 2k3m h ALA 16 N 0.43 -0.63 0.09 0.00 0.00 0.12 2.60 119.26 121.88 2k3m h ALA 16 Ca 0.09 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 16 Cb 0.52 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2k3m h ALA 16 CO -0.31 -0.81 -0.19 1.25 0.00 0.00 0.00 179.25 179.19 2k3m h LEU 17 N -0.73 -0.55 0.39 0.00 5.85 0.63 1.73 115.31 122.64 2k3m h LEU 17 Ca -0.06 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2k3m h LEU 17 Cb 0.53 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2k3m h LEU 17 CO 0.11 -0.27 -0.19 -0.37 -0.34 0.00 0.00 178.44 177.37 2k3m h VAL 18 N -0.36 0.47 -1.57 1.05 -1.51 0.29 -3.35 116.25 111.27 2k3m h VAL 18 Ca 0.03 -0.59 -0.07 0.00 -1.23 0.00 0.00 66.70 64.84 2k3m h VAL 18 Cb 0.39 0.70 0.04 0.00 -2.13 0.00 0.00 31.29 30.29 2k3m h VAL 18 CO -0.12 0.09 -0.01 0.61 -1.23 0.00 0.00 177.57 176.91 2k3m n GLY 19 N -0.19 -3.16 0.19 5.19 0.00 0.87 -4.86 105.19 103.23 2k3m n GLY 19 Ca -0.09 -1.34 0.09 0.00 0.00 0.00 0.00 46.02 44.67 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 0.53 1.61 0.13 -1.76 -3.25 132.00 129.25 2k3m h PRO 20 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 2k3m h PRO 20 Cb 0.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 2k3m h PRO 20 CO 0.04 0.13 -0.42 0.78 -0.23 0.00 0.00 178.00 178.31 2k3m h GLY 21 N 3.87 -1.06 0.87 1.56 0.00 -1.81 4.19 103.07 110.68 2k3m h GLY 21 Ca -0.00 0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 2k3m h GLY 21 CO 0.02 -0.36 -0.13 -1.33 0.00 0.00 0.00 176.54 174.74 2k3m h GLY 22 N -0.93 -0.38 0.76 4.60 0.00 0.24 -0.98 103.07 106.37 2k3m h GLY 22 Ca -0.06 0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.50 2k3m h GLY 22 CO 0.00 -0.14 0.58 -0.24 0.00 0.00 0.00 176.54 176.74 2k3m h VAL 23 N -0.50 1.00 0.83 4.60 3.04 -1.24 0.20 116.25 124.18 2k3m h VAL 23 Ca -0.04 -0.32 -0.04 0.00 -1.01 0.00 0.00 66.70 65.29 2k3m h VAL 23 Cb 0.37 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 29.63 2k3m h VAL 23 CO 0.06 0.17 -0.50 0.00 -1.01 0.00 0.00 177.57 176.30 2k3m h ALA 24 N 1.54 -1.29 -0.62 3.17 0.00 0.88 0.19 119.26 123.12 2k3m h ALA 24 Ca 0.41 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2k3m h ALA 24 Cb 0.34 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2k3m h ALA 24 CO -0.17 -1.24 0.28 -0.07 0.00 0.00 0.00 179.25 178.05 2k3m h LEU 25 N -1.24 0.83 0.82 0.00 3.38 -0.76 -0.40 115.31 117.94 2k3m h LEU 25 Ca -0.11 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 2k3m h LEU 25 Cb 0.99 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.53 2k3m h LEU 25 CO 0.12 0.75 -0.39 0.58 0.09 0.00 0.00 178.44 179.59 2k3m h VAL 26 N 0.86 0.00 -0.76 1.22 2.07 -0.50 0.24 116.25 119.38 2k3m h VAL 26 Ca 0.21 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2k3m h VAL 26 Cb 0.15 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 2k3m h VAL 26 CO -0.02 0.00 0.49 1.62 0.02 0.00 0.00 177.57 179.68 2k3m h VAL 27 N -1.19 1.20 0.23 2.57 3.04 -0.64 0.69 116.25 122.16 2k3m h VAL 27 Ca -0.11 -0.38 -0.01 0.00 -1.01 0.00 0.00 66.70 65.18 2k3m h VAL 27 Cb 0.84 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2k3m h VAL 27 CO 0.18 0.20 -0.11 0.50 -1.01 0.00 0.00 177.57 177.33 2k3m h LYS 28 N 1.03 -0.30 -0.06 4.17 3.64 -1.05 0.17 116.57 124.17 2k3m h LYS 28 Ca 0.28 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2k3m h LYS 28 Cb -0.10 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2k3m h LYS 28 CO -0.06 0.07 0.02 0.28 -2.27 0.00 0.00 179.45 177.48 2k3m h VAL 29 N -0.76 1.17 0.57 2.00 2.07 -0.34 0.27 116.25 121.23 2k3m h VAL 29 Ca -0.03 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 2k3m h VAL 29 Cb 0.50 1.42 0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2k3m h VAL 29 CO 0.05 0.14 -0.27 0.00 0.02 0.00 0.00 177.57 177.51 2k3m h ALA 31 N -1.35 -0.39 -1.64 0.00 0.00 -0.74 -3.49 119.26 111.65 2k3m h ALA 31 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k3m h ALA 31 Cb 0.58 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k3m h ALA 31 CO 0.13 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.19 2k3m n GLY 32 N -0.58 0.15 0.35 0.00 0.00 0.95 -4.87 105.19 101.20 2k3m n GLY 32 Ca -0.10 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2k3m n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k3m n LEU 33 N -0.49 -1.84 0.24 0.99 7.94 -1.25 -4.77 117.00 117.83 2k3m n LEU 33 Ca 0.00 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.06 2k3m n LEU 33 Cb 0.22 -0.50 0.70 0.00 0.53 0.00 0.00 43.42 44.37 2k3m n LEU 33 CO 0.00 0.00 0.97 1.55 -1.11 0.00 0.00 177.39 178.80 2k3m h PRO 34 N 0.00 0.00 0.66 1.96 0.13 -1.94 -3.26 132.00 129.55 2k3m h PRO 34 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2k3m h PRO 34 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2k3m h PRO 34 CO 0.00 0.00 -0.45 0.78 -0.23 0.00 0.00 178.00 178.10 2k3m h GLY 35 N 1.76 -1.25 0.00 1.56 0.00 -1.95 -3.41 103.07 99.78 2k3m h GLY 35 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2k3m h GLY 35 CO 0.00 -0.41 0.00 1.55 0.00 0.00 0.00 176.54 177.68 2k3m n VAL 36 N -5.26 0.00 -1.56 4.60 3.14 -1.23 -4.91 118.33 113.11 2k3m n VAL 36 Ca -0.13 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.25 2k3m n VAL 36 Cb 0.45 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 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 -0.04 -1.91 -4.05 1.55 0.13 -1.26 -5.02 119.36 108.75 2k3m n ILE 37 Ca 0.00 0.02 -0.18 0.00 -1.10 0.00 0.00 62.75 61.48 2k3m n ILE 37 Cb 0.00 -3.91 -0.16 0.00 -0.84 0.00 0.00 39.64 34.73 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 -1.99 0.50 0.01 9.51 3.76 -1.26 -5.12 115.29 120.70 2k3m s HIS 38 Ca 0.01 -0.09 0.03 0.00 -0.15 0.00 0.00 55.06 54.85 2k3m s HIS 38 Cb -0.00 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 33.15 2k3m s HIS 38 CO 0.03 -0.15 -0.05 0.95 -0.85 0.00 0.00 174.74 174.68 2k3m s THR 39 N 0.89 3.77 0.23 1.30 -4.23 -1.26 -5.03 115.64 111.31 2k3m s THR 39 Ca -0.10 -0.75 0.12 0.00 -1.18 0.00 0.00 61.69 59.78 2k3m s THR 39 Cb -0.13 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.04 2k3m s THR 39 CO -0.01 0.38 1.60 1.55 -0.54 0.00 0.00 174.62 177.60 2k3m h PRO 40 N 4.45 0.00 -4.94 3.99 0.13 -2.06 -3.44 132.00 130.12 2k3m h PRO 40 Ca -0.49 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 2k3m h PRO 40 Cb 1.17 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.98 2k3m h PRO 40 CO 0.55 0.61 -0.82 0.00 -0.23 0.00 0.00 178.00 178.10 2k3m s ALA 41 N -3.51 1.36 0.07 -0.56 0.00 -1.26 -5.13 121.76 112.74 2k3m s ALA 41 Ca -0.01 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 2k3m s ALA 41 Cb 0.12 -0.51 0.09 0.00 0.00 0.00 0.00 23.12 22.82 2k3m s ALA 41 CO 0.76 0.20 1.14 1.03 0.00 0.00 0.00 175.76 178.89 2k3m s ARG 42 N 0.28 0.78 0.00 0.00 0.52 -1.26 -4.96 118.95 114.31 2k3m s ARG 42 Ca -0.08 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 2k3m s ARG 42 Cb -0.13 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.60 2k3m s ARG 42 CO 0.03 -0.36 0.33 -2.13 0.02 0.00 0.00 175.30 173.19 2k3m n ARG 43 N -0.54 0.48 0.00 3.54 3.00 -1.26 -4.67 116.66 117.21 2k3m n ARG 43 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 2k3m n ARG 43 Cb 0.61 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.93 2k3m n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k3m n GLY 44 N 0.15 3.33 3.73 5.14 0.00 -1.26 -4.96 105.19 111.31 2k3m n GLY 44 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2k3m n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k3m s PHE 45 N -2.39 -0.14 0.00 1.61 -0.71 -1.26 -5.11 117.98 109.98 2k3m s PHE 45 Ca 0.00 -0.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.75 2k3m s PHE 45 Cb 0.00 0.63 0.00 0.00 -1.21 0.00 0.00 43.02 42.44 2k3m s PHE 45 CO 0.00 -0.77 0.00 0.34 -1.34 0.00 0.00 175.22 173.45 2k3m n PHE 46 N -0.45 0.00 0.00 3.49 -0.00 -1.26 -5.04 117.46 114.19 2k3m n PHE 46 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 2k3m n PHE 46 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.09 2k3m n PHE 46 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2k3m n ARG 47 N 0.00 0.00 -2.23 -4.13 5.12 -1.26 -5.09 116.66 109.07 2k3m n ARG 47 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k3m s ASN 49 N -2.56 2.70 0.00 0.00 4.22 -1.26 -5.06 114.94 112.98 2k3m s ASN 49 Ca 0.03 -0.85 -0.13 0.00 -2.14 0.00 0.00 52.86 49.77 2k3m s ASN 49 Cb -0.00 -0.20 -0.16 0.00 1.28 0.00 0.00 41.25 42.17 2k3m s ASN 49 CO 0.35 -0.38 0.96 -2.65 -2.04 0.00 0.00 177.10 173.33 2k3m n PRO 50 N 5.27 0.00 0.00 3.55 -0.02 -1.26 -3.47 135.00 139.08 2k3m n PRO 50 Ca -0.06 -0.45 0.00 0.00 -2.02 0.00 0.00 63.50 60.96 2k3m n PRO 50 Cb 0.46 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 2k3m n PRO 50 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k3m n GLU 51 N 5.42 0.00 -1.52 -0.52 -0.58 -1.26 -4.90 120.64 117.27 2k3m n GLU 51 Ca 0.20 0.00 -0.55 0.00 -0.42 0.00 0.00 57.16 56.39 2k3m n GLU 51 Cb 0.29 -1.68 -0.08 0.00 -0.57 0.00 0.00 31.44 29.40 2k3m n GLU 51 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2k3m n ARG 52 N -1.08 0.94 -1.65 3.49 5.12 -1.23 -4.82 116.66 117.44 2k3m n ARG 52 Ca 0.00 0.30 -0.41 0.00 -1.93 0.00 0.00 57.85 55.81 2k3m n ARG 52 Cb 0.00 -2.17 0.01 0.00 -1.16 0.00 0.00 32.46 29.15 2k3m n ARG 52 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 2k3m n ILE 53 N 6.03 2.60 -1.57 0.55 3.06 -1.26 -4.73 119.36 124.04 2k3m n ILE 53 Ca 0.37 -0.50 -0.26 0.00 -2.50 0.00 0.00 62.75 59.86 2k3m n ILE 53 Cb 0.15 -1.34 -0.09 0.00 0.54 0.00 0.00 39.64 38.89 2k3m n ILE 53 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2k3m n GLN 54 N 0.01 0.78 -3.75 9.51 1.13 -1.26 -4.78 117.38 119.01 2k3m n GLN 54 Ca 0.09 -1.91 -0.10 0.00 -1.94 0.00 0.00 57.00 53.13 2k3m n GLN 54 Cb 0.40 -3.58 -0.06 0.00 0.11 0.00 0.00 30.24 27.11 2k3m n GLN 54 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 2k3m s ILE 55 N 12.50 0.10 0.00 5.09 1.10 -1.26 -4.93 121.20 133.80 2k3m s ILE 55 Ca 0.73 -0.81 0.00 0.00 -0.51 0.00 0.00 60.65 60.06 2k3m s ILE 55 Cb 0.01 -1.14 0.00 0.00 0.15 0.00 0.00 42.46 41.49 2k3m s ILE 55 CO 0.18 -0.45 0.00 0.61 -2.11 0.00 0.00 174.94 173.18 2k3m n GLY 56 N 0.13 1.62 3.55 1.50 0.00 -1.26 -5.04 105.19 105.68 2k3m n GLY 56 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2k3m n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k3m n ASP 57 N 0.00 2.23 -4.54 1.61 5.75 -1.26 -4.90 116.55 115.44 2k3m n ASP 57 Ca 0.00 -0.30 -0.26 0.00 -0.01 0.00 0.00 54.79 54.22 2k3m n ASP 57 Cb 0.00 -1.50 0.13 0.00 -1.03 0.00 0.00 41.12 38.72 2k3m n ASP 57 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2k3m s TRP 58 N 11.14 1.89 -0.17 2.11 0.51 -1.26 -5.06 118.94 128.10 2k3m s TRP 58 Ca 1.03 0.09 -0.14 0.00 -2.12 0.00 0.00 56.10 54.97 2k3m s TRP 58 Cb -0.34 -3.44 -0.09 0.00 -0.81 0.00 0.00 33.47 28.79 2k3m s TRP 58 CO 0.31 -1.97 -0.06 2.89 -0.51 0.00 0.00 176.95 177.60 2k3m n ARG 59 N -3.18 0.50 0.08 4.98 1.85 -1.26 -4.18 116.66 115.44 2k3m n ARG 59 Ca 0.13 0.52 0.10 0.00 -1.00 0.00 0.00 57.85 57.61 2k3m n ARG 59 Cb 0.60 -1.69 -0.03 0.00 -1.05 0.00 0.00 32.46 30.29 2k3m n ARG 59 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 2k3m n TYR 60 N -4.54 0.86 0.76 2.89 4.11 -1.26 -3.84 117.16 116.15 2k3m n TYR 60 Ca -0.17 0.25 0.13 0.00 -0.00 0.00 0.00 57.90 58.11 2k3m n TYR 60 Cb 0.43 -0.92 0.49 0.00 -0.00 0.00 0.00 39.34 39.34 2k3m n TYR 60 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 2k3m n GLU 61 N -2.65 0.15 -0.15 -3.48 2.13 -1.26 -4.00 120.64 111.38 2k3m n GLU 61 Ca -0.02 0.14 -0.09 0.00 0.66 0.00 0.00 57.16 57.86 2k3m n GLU 61 Cb 0.58 -1.68 -0.03 0.00 0.27 0.00 0.00 31.44 30.58 2k3m n GLU 61 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 2k3m h VAL 62 N 0.00 0.14 0.36 6.31 3.04 -1.73 1.90 116.25 126.27 2k3m h VAL 62 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 2k3m h VAL 62 Cb 0.61 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 2k3m h VAL 62 CO 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 177.57 176.39 2k3m h ALA 63 N 0.61 -0.48 -0.24 3.17 0.00 -1.87 2.89 119.26 123.35 2k3m h ALA 63 Ca 0.16 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2k3m h ALA 63 Cb 0.57 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2k3m h ALA 63 CO -0.60 -0.65 -0.47 0.45 0.00 0.00 0.00 179.25 177.99 2k3m h HIS 64 N -0.72 -1.36 -0.14 0.00 -0.00 -1.49 0.24 115.15 111.68 2k3m h HIS 64 Ca -0.05 0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.32 2k3m h HIS 64 Cb 0.50 0.63 -0.00 0.00 -0.00 0.00 0.00 27.41 28.53 2k3m h HIS 64 CO 0.00 -0.49 -0.14 0.22 -0.00 0.00 0.00 177.93 177.53 2k3m h ASP 65 N -0.46 0.36 0.00 2.45 3.58 0.29 -2.61 116.42 120.03 2k3m h ASP 65 Ca 0.08 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2k3m h ASP 65 Cb 0.63 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2k3m h ASP 65 CO -0.48 0.76 0.00 0.61 -2.88 0.00 0.00 179.24 177.26 2k3m n GLY 66 N 0.20 1.04 0.00 -0.78 0.00 0.97 -3.18 105.19 103.43 2k3m n GLY 66 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 0.59 0.75 -0.09 1.61 5.12 0.80 -4.09 116.66 121.34 2k3m n ARG 67 Ca 0.00 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.08 2k3m n ARG 67 Cb 0.24 -1.44 0.24 0.00 -1.16 0.00 0.00 32.46 30.35 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 -0.94 0.00 0.17 0.55 -0.00 -1.19 0.15 117.00 115.75 2k3m n LEU 68 Ca 0.16 0.47 -0.07 0.00 -0.00 0.00 0.00 56.01 56.57 2k3m n LEU 68 Cb 0.07 -0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 43.31 2k3m n LEU 68 CO 0.12 -0.47 0.33 -0.07 -0.00 0.00 0.00 177.39 177.30 2k3m h LEU 69 N 0.00 -0.39 0.00 1.47 4.07 -1.92 -2.52 115.31 116.01 2k3m h LEU 69 Ca 0.28 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.25 2k3m h LEU 69 Cb 1.83 0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.68 2k3m h LEU 69 CO -0.00 -0.18 0.00 0.00 -1.08 0.00 0.00 178.44 177.17 2k3m n ALA 70 N -2.38 0.00 0.00 1.53 0.00 0.40 -3.82 120.51 116.23 2k3m n ALA 70 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2k3m n ALA 70 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.98 0.19 -0.13 0.00 0.00 -0.25 -4.01 120.51 115.33 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 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.54 -0.11 -0.04 0.00 1.44 -0.95 0.14 115.22 115.17 2k3m n HIS 72 Ca 0.00 0.39 -0.14 0.00 -2.01 0.00 0.00 57.72 55.96 2k3m n HIS 72 Cb 0.00 -0.55 -0.12 0.00 0.12 0.00 0.00 29.99 29.45 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 0.02 -0.95 -1.40 2.86 -1.85 -3.33 114.93 110.27 2k3m h MET 73 Ca 0.06 -0.02 0.29 0.00 -2.06 0.00 0.00 59.70 57.98 2k3m h MET 73 Cb 0.14 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.66 2k3m h MET 73 CO -0.30 0.78 0.41 0.28 1.06 0.00 0.00 176.91 179.14 2k3m h VAL 74 N -0.74 0.28 0.00 -2.22 2.07 0.97 0.37 116.25 116.97 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 0.79 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2k3m h VAL 74 CO 0.00 0.05 0.73 -3.20 0.02 0.00 0.00 177.57 175.17 2k3m n ASN 75 N -5.15 0.00 0.02 0.57 5.15 0.46 -0.73 115.26 115.58 2k3m n ASN 75 Ca 0.28 0.24 0.20 0.00 -0.60 0.00 0.00 54.58 54.70 2k3m n ASN 75 Cb 0.87 -0.01 0.51 0.00 -0.53 0.00 0.00 39.78 40.63 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 0.00 8.20 0.00 -0.51 -0.97 103.07 109.78 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 -0.41 0.16 0.00 0.00 0.00 176.54 176.29 2k3m h ILE 77 N 0.00 0.00 -1.67 2.60 3.07 -1.18 -3.38 117.51 116.95 2k3m h ILE 77 Ca 0.28 -0.84 0.49 0.00 1.55 0.00 0.00 64.86 66.34 2k3m h ILE 77 Cb 1.99 0.00 -0.07 0.00 -0.27 0.00 0.00 36.82 38.47 2k3m h ILE 77 CO -0.00 0.00 1.21 0.52 -1.05 0.00 0.00 178.15 178.83 2k3m n VAL 78 N -4.24 0.00 0.12 0.16 0.31 -0.41 0.27 118.33 114.54 2k3m n VAL 78 Ca -0.06 1.26 -0.13 0.00 -0.01 0.00 0.00 64.34 65.40 2k3m n VAL 78 Cb 0.22 -2.11 -0.08 0.00 -0.91 0.00 0.00 33.84 30.96 2k3m n VAL 78 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2k3m h ILE 79 N 0.00 0.86 0.40 2.52 3.07 -1.61 -1.35 117.51 121.40 2k3m h ILE 79 Ca 0.80 -0.47 -0.01 0.00 1.55 0.00 0.00 64.86 66.72 2k3m h ILE 79 Cb 3.21 1.14 -0.01 0.00 -0.27 0.00 0.00 36.82 40.89 2k3m h ILE 79 CO -0.01 0.10 -0.34 0.00 -1.05 0.00 0.00 178.15 176.86 2k3m h ALA 80 N 0.20 -1.06 -0.35 0.16 0.00 0.37 1.92 119.26 120.50 2k3m h ALA 80 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k3m h ALA 80 Cb 0.39 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2k3m h ALA 80 CO 0.05 -1.07 0.00 0.39 0.00 0.00 0.00 179.25 178.62 2k3m n GLU 81 N -4.43 0.00 0.28 0.00 1.02 -1.13 0.23 120.64 116.61 2k3m n GLU 81 Ca -0.09 0.69 -0.11 0.00 -0.02 0.00 0.00 57.16 57.63 2k3m n GLU 81 Cb 0.32 -1.44 -0.05 0.00 -0.02 0.00 0.00 31.44 30.24 2k3m n GLU 81 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2k3m h ASP 82 N 0.00 -0.61 0.00 1.62 3.58 -1.28 -2.36 116.42 117.37 2k3m h ASP 82 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2k3m h ASP 82 Cb 0.00 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2k3m h ASP 82 CO 0.00 -0.39 0.24 0.00 -2.88 0.00 0.00 179.24 176.21 2k3m n ALA 83 N -2.43 0.68 0.22 -0.78 0.00 0.65 -2.58 120.51 116.27 2k3m n ALA 83 Ca -0.09 0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.47 2k3m n ALA 83 Cb 0.28 -0.82 0.03 0.00 0.00 0.00 0.00 19.45 18.94 2k3m n ALA 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2k3m h LEU 84 N 0.00 0.00 -0.72 0.00 5.85 0.34 1.07 115.31 121.85 2k3m h LEU 84 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2k3m h LEU 84 Cb 0.49 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2k3m h LEU 84 CO 0.00 0.00 0.36 0.16 -0.34 0.00 0.00 178.44 178.62 2k3m h ILE 85 N 0.00 1.23 -0.02 4.05 3.07 -1.73 -2.66 117.51 121.45 2k3m h ILE 85 Ca 0.00 -0.65 0.00 0.00 1.55 0.00 0.00 64.86 65.76 2k3m h ILE 85 Cb 1.59 0.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2k3m h ILE 85 CO 0.00 0.27 -0.23 0.00 -1.05 0.00 0.00 178.15 177.14 2k3m n ALA 86 N -2.37 3.01 0.29 0.16 0.00 0.37 -4.33 120.51 117.64 2k3m n ALA 86 Ca 0.06 -0.59 0.14 0.00 0.00 0.00 0.00 53.44 53.05 2k3m n ALA 86 Cb 0.12 -0.90 0.69 0.00 0.00 0.00 0.00 19.45 19.37 2k3m n ALA 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k3m h GLU 87 N 2.94 0.00 0.00 0.00 4.57 -1.25 0.95 114.58 121.79 2k3m h GLU 87 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k3m h GLU 87 Cb 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2k3m h GLU 87 CO 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 179.01 177.79 2k3m n ALA 88 N -1.91 2.02 -1.37 2.92 0.00 -1.26 -4.61 120.51 116.31 2k3m n ALA 88 Ca 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 53.44 51.76 2k3m n ALA 88 Cb 0.52 -0.18 0.20 0.00 0.00 0.00 0.00 19.45 19.98 2k3m n ALA 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k3m n VAL 89 N -0.79 2.73 -0.10 0.00 0.31 0.33 -4.58 118.33 116.23 2k3m n VAL 89 Ca 0.06 -2.46 -0.12 0.00 -0.01 0.00 0.00 64.34 61.80 2k3m n VAL 89 Cb 0.46 -0.36 -0.04 0.00 -0.91 0.00 0.00 33.84 32.99 2k3m n VAL 89 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2k3m h GLY 90 N 1.09 0.73 0.57 2.92 0.00 -1.80 -2.59 103.07 103.99 2k3m h GLY 90 Ca 0.32 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2k3m h GLY 90 CO 0.58 0.62 0.50 -1.05 0.00 0.00 0.00 176.54 177.20 2k3m n PRO 91 N -4.34 0.04 0.25 4.80 -0.02 -1.26 0.49 135.00 134.96 2k3m n PRO 91 Ca -0.03 0.45 0.15 0.00 -2.02 0.00 0.00 63.50 62.05 2k3m n PRO 91 Cb 0.41 -2.14 0.78 0.00 -0.02 0.00 0.00 33.50 32.53 2k3m n PRO 91 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2k3m h HIS 92 N 0.00 0.00 0.51 6.00 2.76 -1.82 0.15 115.15 122.75 2k3m h HIS 92 Ca 0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 2k3m h HIS 92 Cb 1.01 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.97 2k3m h HIS 92 CO 0.00 0.00 -0.25 1.37 -1.30 0.00 0.00 177.93 177.75 2k3m h LEU 93 N 0.00 -0.58 0.13 0.26 8.10 -0.21 3.15 115.31 126.15 2k3m h LEU 93 Ca 0.00 -0.03 0.01 0.00 0.11 0.00 0.00 57.88 57.96 2k3m h LEU 93 Cb 0.25 0.15 -0.02 0.00 -0.44 0.00 0.00 40.66 40.61 2k3m h LEU 93 CO 0.00 -0.33 -0.15 0.00 -4.11 0.00 0.00 178.44 173.85 2k3m h ALA 94 N -0.38 -0.27 0.65 0.17 0.00 -1.22 0.19 119.26 118.40 2k3m h ALA 94 Ca -0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 94 Cb 0.58 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2k3m h ALA 94 CO 0.12 -0.68 -0.42 -0.09 0.00 0.00 0.00 179.25 178.17 2k3m h ARG 95 N -0.31 -0.98 0.00 0.00 2.43 -1.36 0.71 114.38 114.87 2k3m h ARG 95 Ca 0.01 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2k3m h ARG 95 Cb 0.30 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2k3m h ARG 95 CO -0.05 -0.66 0.35 0.00 -1.51 0.00 0.00 179.97 178.10 2k3m n ALA 96 N -2.66 0.37 0.00 2.80 0.00 1.05 -4.44 120.51 117.62 2k3m n ALA 96 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k3m n ALA 96 Cb 0.44 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2k3m n ALA 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2k3m n LEU 97 N -1.33 0.00 0.19 0.00 -0.00 0.25 0.19 117.00 116.30 2k3m n LEU 97 Ca -0.00 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.19 2k3m n LEU 97 Cb 0.35 0.00 0.78 0.00 -0.00 0.00 0.00 43.42 44.55 2k3m n LEU 97 CO 0.01 0.00 1.16 1.23 -0.00 0.00 0.00 177.39 179.79 2k3m h GLY 98 N 0.00 0.00 1.81 1.47 0.00 -1.82 4.54 103.07 109.07 2k3m h GLY 98 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2k3m h GLY 98 CO 0.00 0.00 0.09 -1.61 0.00 0.00 0.00 176.54 175.02 2k3m h GLN 99 N 0.00 0.00 -0.49 4.80 5.75 0.19 0.78 115.11 126.14 2k3m h GLN 99 Ca 0.12 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.55 2k3m h GLN 99 Cb 0.89 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 2k3m h GLN 99 CO -0.00 0.00 0.04 0.82 -2.65 0.00 0.00 178.83 177.04 2k3m h ILE 100 N 0.00 1.26 0.21 2.39 2.04 0.88 -3.21 117.51 121.07 2k3m h ILE 100 Ca 0.01 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.87 2k3m h ILE 100 Cb 0.19 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2k3m h ILE 100 CO -0.00 0.35 -0.38 1.62 0.00 0.00 0.00 178.15 179.74 2k3m h VAL 101 N 0.69 0.00 -0.26 1.67 3.04 0.58 0.10 116.25 122.08 2k3m h VAL 101 Ca 0.14 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.91 2k3m h VAL 101 Cb 0.45 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.72 2k3m h VAL 101 CO 0.02 0.00 0.57 0.00 -1.01 0.00 0.00 177.57 177.14 2k3m h ARG 103 N 0.00 0.13 -0.65 0.00 2.43 -1.22 -2.90 114.38 112.16 2k3m h ARG 103 Ca 0.12 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2k3m h ARG 103 Cb 1.26 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 2k3m h ARG 103 CO -0.00 1.10 0.00 0.98 -1.51 0.00 0.00 179.97 180.54 2k3m n TYR 104 N -4.23 1.71 0.00 2.20 4.19 0.24 -4.73 117.16 116.54 2k3m n TYR 104 Ca -0.23 -0.60 0.00 0.00 3.31 0.00 0.00 57.90 60.39 2k3m n TYR 104 Cb 0.74 -0.43 0.00 0.00 0.49 0.00 0.00 39.34 40.14 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2k3m n GLY 105 N 0.55 -0.86 2.02 2.98 0.00 0.56 -4.96 105.19 105.49 2k3m n GLY 105 Ca 0.23 0.34 -0.04 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.06 -1.13 -0.06 4.61 0.00 -1.10 -4.94 120.51 115.84 2k3m n ALA 106 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 2k3m n ALA 106 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 19.45 17.38 2k3m n ALA 106 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2k3m h THR 107 N -0.31 0.41 0.00 0.00 2.02 -1.91 -3.30 112.91 109.82 2k3m h THR 107 Ca -0.18 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 65.66 2k3m h THR 107 Cb 1.09 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2k3m h THR 107 CO 0.13 0.14 0.00 1.33 0.37 0.00 0.00 175.52 177.49 2k3m n VAL 108 N -4.69 0.97 -0.03 3.16 0.24 -1.26 -2.53 118.33 114.19 2k3m n VAL 108 Ca -0.05 0.24 -0.01 0.00 -2.04 0.00 0.00 64.34 62.48 2k3m n VAL 108 Cb 0.19 -1.08 -0.00 0.00 -1.47 0.00 0.00 33.84 31.47 2k3m n VAL 108 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2k3m h ILE 109 N 0.00 0.00 -0.24 1.34 5.03 -1.95 -3.29 117.51 118.40 2k3m h ILE 109 Ca 0.00 -0.58 -0.08 0.00 -0.12 0.00 0.00 64.86 64.08 2k3m h ILE 109 Cb 0.12 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 33.89 2k3m h ILE 109 CO 0.00 0.00 -0.20 1.55 -0.68 0.00 0.00 178.15 178.82 2k3m h PRO 110 N -0.58 0.43 0.16 2.37 0.13 -1.63 -2.48 132.00 130.39 2k3m h PRO 110 Ca 0.00 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 2k3m h PRO 110 Cb 0.09 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2k3m h PRO 110 CO 0.00 0.61 -0.08 -0.97 -0.23 0.00 0.00 178.00 177.34 2k3m h ASN 111 N 0.39 -0.18 -0.18 1.44 -1.24 -1.70 -2.45 115.58 111.66 2k3m h ASN 111 Ca 0.07 0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.13 2k3m h ASN 111 Cb 0.57 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.66 2k3m h ASN 111 CO 0.04 -0.09 0.44 0.40 -1.29 0.00 0.00 177.43 176.93 2k3m h ILE 112 N -0.28 0.13 0.32 2.57 1.08 -1.67 0.20 117.51 119.85 2k3m h ILE 112 Ca -0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 2k3m h ILE 112 Cb 0.16 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 2k3m h ILE 112 CO 0.04 0.00 -0.15 -1.13 -0.69 0.00 0.00 178.15 176.21 2k3m h ASN 113 N 0.00 -0.36 -0.41 1.72 -0.73 -1.10 1.22 115.58 115.93 2k3m h ASN 113 Ca 0.08 -0.03 0.12 0.00 1.87 0.00 0.00 56.30 58.34 2k3m h ASN 113 Cb 0.97 0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.63 2k3m h ASN 113 CO -0.00 -0.20 0.31 0.00 -0.37 0.00 0.00 177.43 177.17 2k3m h ALA 114 N 0.18 2.33 0.00 1.57 0.00 -0.14 -0.74 119.26 122.47 2k3m h ALA 114 Ca -0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 114 Cb 0.37 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k3m h ALA 114 CO 0.07 -0.53 -0.42 0.00 0.00 0.00 0.00 179.25 178.37 2k3m h ALA 115 N 1.76 0.09 -0.57 0.00 0.00 -1.32 -3.31 119.26 115.91 2k3m h ALA 115 Ca 0.20 -0.73 0.10 0.00 0.00 0.00 0.00 54.91 54.47 2k3m h ALA 115 Cb 0.82 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 2k3m h ALA 115 CO -0.00 0.23 -0.32 0.97 0.00 0.00 0.00 179.25 180.13 2k3m h ILE 116 N -1.00 0.19 -1.00 0.00 6.09 0.19 1.99 117.51 123.98 2k3m h ILE 116 Ca -0.12 0.00 0.19 0.00 -1.37 0.00 0.00 64.86 63.56 2k3m h ILE 116 Cb 1.09 0.19 -0.18 0.00 0.47 0.00 0.00 36.82 38.39 2k3m h ILE 116 CO -0.07 0.00 -0.28 -0.08 -3.07 0.00 0.00 178.15 174.65 2k3m h GLU 117 N -0.17 -0.00 0.16 2.19 4.81 -1.29 1.07 114.58 121.34 2k3m h GLU 117 Ca 0.23 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2k3m h GLU 117 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2k3m h GLU 117 CO -0.66 -0.00 -0.08 0.28 -0.73 0.00 0.00 179.01 177.83 2k3m h VAL 118 N -0.00 0.97 -0.02 0.32 2.07 0.50 -1.43 116.25 118.66 2k3m h VAL 118 Ca 0.45 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2k3m h VAL 118 Cb 0.70 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2k3m h VAL 118 CO -1.02 0.21 0.02 0.25 0.02 0.00 0.00 177.57 177.06 2k3m h LEU 119 N -0.72 0.00 0.00 2.57 7.12 0.69 -3.39 115.31 121.58 2k3m h LEU 119 Ca -0.02 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.99 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 0.04 0.00 -0.21 0.61 -0.13 0.00 0.00 178.44 178.74 2k3m n GLY 120 N -1.31 0.00 0.00 3.75 0.00 0.33 -5.02 105.19 102.94 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 -2.47 0.00 0.00 2.61 -1.04 -0.54 -4.99 114.28 107.86 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 0.11 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 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 1.63 3.50 3.41 0.00 -1.24 -4.47 105.19 108.03 2k3m n GLY 122 Ca 0.00 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 2k3m n GLY 122 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3m n THR 123 N 0.00 -0.00 -4.06 2.61 -1.04 -1.26 -4.83 114.28 105.70 2k3m n THR 123 Ca 0.00 -0.10 -0.15 0.00 -2.04 0.00 0.00 64.05 61.76 2k3m n THR 123 Cb 0.00 -0.49 -0.15 0.00 -1.82 0.00 0.00 70.33 67.88 2k3m n THR 123 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2k3m s ASP 124 N 7.66 0.44 0.03 8.00 1.01 -1.26 -5.07 116.67 127.47 2k3m s ASP 124 Ca 1.34 -0.06 -0.22 0.00 0.71 0.00 0.00 52.55 54.32 2k3m s ASP 124 Cb -1.16 -0.08 0.05 0.00 1.01 0.00 0.00 42.92 42.74 2k3m s ASP 124 CO 0.49 0.02 0.49 -0.72 0.21 0.00 0.00 175.17 175.67 2k3m s TYR 125 N 0.08 -0.39 0.03 4.23 1.13 -1.26 -5.18 117.35 116.00 2k3m s TYR 125 Ca -0.00 0.47 -0.15 0.00 -1.41 0.00 0.00 57.07 55.97 2k3m s TYR 125 Cb -0.03 0.30 0.02 0.00 -1.10 0.00 0.00 41.96 41.15 2k3m s TYR 125 CO -0.00 -0.60 0.32 1.03 -2.51 0.00 0.00 175.55 173.79 2k3m s ARG 126 N -2.20 0.80 0.00 -3.49 0.52 -1.26 -5.21 118.95 108.11 2k3m s ARG 126 Ca -0.07 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 2k3m s ARG 126 Cb -0.01 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.81 2k3m s ARG 126 CO 0.00 -0.25 0.40 1.97 0.02 0.00 0.00 175.30 177.44