#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 2.48 0.00 7.83 7.64 -1.26 -4.85 113.62 125.47 2k3m n SER 2 Ca 0.00 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.06 2k3m n SER 2 Cb 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2k3m n SER 2 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2k3m n ASP 3 N 0.90 0.00 -3.76 6.43 5.68 -1.26 -5.18 116.55 119.36 2k3m n ASP 3 Ca 0.17 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.33 2k3m n ASP 3 Cb 0.49 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.38 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2k3m s PHE 4 N 0.00 -0.25 -0.06 2.11 2.19 -1.26 -5.17 117.98 115.54 2k3m s PHE 4 Ca 0.00 0.53 -0.19 0.00 0.33 0.00 0.00 56.93 57.60 2k3m s PHE 4 Cb 0.00 0.10 0.04 0.00 -1.31 0.00 0.00 43.02 41.85 2k3m s PHE 4 CO 0.00 -0.29 0.43 -0.51 1.83 0.00 0.00 175.22 176.68 2k3m s ASP 5 N -0.66 -0.37 0.00 6.13 1.01 -1.26 -4.94 116.67 116.58 2k3m s ASP 5 Ca -0.08 0.43 0.00 0.00 0.71 0.00 0.00 52.55 53.61 2k3m s ASP 5 Cb -0.04 0.51 0.00 0.00 1.01 0.00 0.00 42.92 44.40 2k3m s ASP 5 CO 0.02 -0.42 0.00 0.41 0.21 0.00 0.00 175.17 175.39 2k3m n THR 6 N 1.54 0.00 -0.17 -1.27 -1.04 -1.26 -4.44 114.28 107.64 2k3m n THR 6 Ca -0.19 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.76 2k3m n THR 6 Cb 0.56 -0.81 0.03 0.00 -1.82 0.00 0.00 70.33 68.30 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 0.00 0.59 0.61 -2.82 4.81 -2.00 4.38 114.58 120.15 2k3m h GLU 7 Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2k3m h GLU 7 Cb 0.00 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.25 2k3m h GLU 7 CO 0.00 0.39 -0.29 0.07 -0.73 0.00 0.00 179.01 178.45 2k3m h ARG 8 N 0.61 -0.79 0.05 1.92 0.11 -1.95 0.90 114.38 115.23 2k3m h ARG 8 Ca 0.20 0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.33 2k3m h ARG 8 Cb 0.01 0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.27 2k3m h ARG 8 CO -0.08 -0.53 -0.02 -0.39 0.10 0.00 0.00 179.97 179.05 2k3m h VAL 9 N -1.21 1.17 0.57 0.08 -1.51 -1.91 0.40 116.25 113.84 2k3m h VAL 9 Ca -0.08 -0.71 -0.03 0.00 -1.23 0.00 0.00 66.70 64.65 2k3m h VAL 9 Cb 0.63 1.64 0.01 0.00 -2.13 0.00 0.00 31.29 31.43 2k3m h VAL 9 CO 0.14 0.18 -0.27 -1.28 -1.23 0.00 0.00 177.57 175.10 2k3m h SER 10 N -0.38 -0.64 -0.62 4.19 0.87 0.85 0.45 113.55 118.26 2k3m h SER 10 Ca -0.01 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 2k3m h SER 10 Cb 0.34 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2k3m h SER 10 CO 0.01 -0.35 0.13 0.03 -0.53 0.00 0.00 176.83 176.12 2k3m h ARG 11 N -0.98 1.01 0.22 2.24 2.47 -0.55 3.03 114.38 121.81 2k3m h ARG 11 Ca -0.08 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.38 2k3m h ARG 11 Cb 0.58 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2k3m h ARG 11 CO 0.13 0.93 -0.11 0.00 0.56 0.00 0.00 179.97 181.48 2k3m h ALA 12 N 1.04 -0.30 0.47 0.04 0.00 0.29 1.05 119.26 121.85 2k3m h ALA 12 Ca 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k3m h ALA 12 Cb 0.39 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k3m h ALA 12 CO 0.01 -0.43 -0.23 0.28 0.00 0.00 0.00 179.25 178.88 2k3m h VAL 13 N -0.78 0.53 0.56 0.00 2.07 -0.02 1.36 116.25 119.97 2k3m h VAL 13 Ca -0.03 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2k3m h VAL 13 Cb 0.51 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2k3m h VAL 13 CO 0.05 0.03 -0.39 0.00 0.02 0.00 0.00 177.57 177.28 2k3m h ALA 14 N -0.22 -1.16 0.21 1.67 0.00 0.54 3.30 119.26 123.60 2k3m h ALA 14 Ca -0.06 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2k3m h ALA 14 Cb 0.52 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2k3m h ALA 14 CO 0.11 -1.14 -0.32 0.00 0.00 0.00 0.00 179.25 177.90 2k3m h ALA 15 N -1.27 -0.60 0.44 0.00 0.00 0.12 1.86 119.26 119.80 2k3m h ALA 15 Ca -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2k3m h ALA 15 Cb 0.74 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k3m h ALA 15 CO 0.05 -0.88 -0.21 0.00 0.00 0.00 0.00 179.25 178.20 2k3m h ALA 16 N 0.01 -0.59 0.49 0.00 0.00 0.19 1.87 119.26 121.22 2k3m h ALA 16 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k3m h ALA 16 Cb 0.58 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2k3m h ALA 16 CO -0.13 -0.69 -0.39 1.25 0.00 0.00 0.00 179.25 179.29 2k3m h LEU 17 N -0.87 -1.04 0.34 0.00 5.85 0.62 0.31 115.31 120.53 2k3m h LEU 17 Ca -0.06 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2k3m h LEU 17 Cb 0.56 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2k3m h LEU 17 CO 0.10 -0.57 -0.16 -0.37 -0.34 0.00 0.00 178.44 177.09 2k3m h VAL 18 N -0.87 0.26 -1.34 1.05 -1.51 0.30 -3.39 116.25 110.75 2k3m h VAL 18 Ca -0.05 -0.73 -0.09 0.00 -1.23 0.00 0.00 66.70 64.60 2k3m h VAL 18 Cb 0.75 0.43 0.05 0.00 -2.13 0.00 0.00 31.29 30.39 2k3m h VAL 18 CO -0.01 0.06 -0.04 0.61 -1.23 0.00 0.00 177.57 176.96 2k3m n GLY 19 N 0.39 -3.11 0.18 5.19 0.00 0.63 -4.88 105.19 103.60 2k3m n GLY 19 Ca -0.07 -1.02 0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 0.68 1.61 0.14 -1.78 -3.33 132.00 129.32 2k3m h PRO 20 Ca -0.10 0.00 -0.03 0.00 0.14 0.00 0.00 66.00 66.01 2k3m h PRO 20 Cb 0.32 0.00 0.01 0.00 0.14 0.00 0.00 31.00 31.47 2k3m h PRO 20 CO 0.06 0.19 -0.33 0.78 0.14 0.00 0.00 178.00 178.84 2k3m h GLY 21 N 3.81 -0.95 0.55 1.56 0.00 -1.77 3.42 103.07 109.68 2k3m h GLY 21 Ca -0.01 0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.71 2k3m h GLY 21 CO 0.02 -0.35 -0.15 -1.33 0.00 0.00 0.00 176.54 174.74 2k3m h GLY 22 N -1.04 -0.13 1.50 4.60 0.00 -0.60 0.70 103.07 108.09 2k3m h GLY 22 Ca -0.09 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.47 2k3m h GLY 22 CO 0.15 -0.15 0.22 -2.08 0.00 0.00 0.00 176.54 174.69 2k3m h VAL 23 N -0.21 0.95 0.81 4.60 2.07 -1.36 -0.25 116.25 122.87 2k3m h VAL 23 Ca 0.07 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2k3m h VAL 23 Cb 0.32 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2k3m h VAL 23 CO -0.19 0.04 -0.39 0.00 0.02 0.00 0.00 177.57 177.05 2k3m h ALA 24 N 1.82 -1.28 0.03 1.67 0.00 1.24 -0.66 119.26 122.09 2k3m h ALA 24 Ca 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 24 Cb 0.29 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k3m h ALA 24 CO -0.03 -1.20 -0.02 1.25 0.00 0.00 0.00 179.25 179.25 2k3m h LEU 25 N -1.10 -0.04 0.76 0.00 5.85 -0.67 0.33 115.31 120.44 2k3m h LEU 25 Ca -0.11 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2k3m h LEU 25 Cb 0.83 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2k3m h LEU 25 CO 0.18 -0.01 -0.47 0.58 -0.34 0.00 0.00 178.44 178.38 2k3m h VAL 26 N -0.06 0.05 -0.71 1.05 2.07 -1.11 0.32 116.25 117.86 2k3m h VAL 26 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2k3m h VAL 26 Cb 0.05 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 2k3m h VAL 26 CO 0.01 0.00 0.47 1.62 0.02 0.00 0.00 177.57 179.69 2k3m h VAL 27 N -1.16 1.08 0.47 2.57 3.04 -1.13 0.32 116.25 121.44 2k3m h VAL 27 Ca -0.10 -0.28 -0.02 0.00 -1.01 0.00 0.00 66.70 65.28 2k3m h VAL 27 Cb 0.93 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 2k3m h VAL 27 CO 0.09 0.15 -0.23 0.50 -1.01 0.00 0.00 177.57 177.08 2k3m h LYS 28 N 0.82 -0.61 -0.06 4.17 3.64 -0.58 0.12 116.57 124.08 2k3m h LYS 28 Ca 0.29 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2k3m h LYS 28 Cb 0.13 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2k3m h LYS 28 CO -0.09 -0.31 0.02 0.28 -2.27 0.00 0.00 179.45 177.08 2k3m h VAL 29 N -0.93 1.15 0.70 2.00 2.07 -0.08 1.17 116.25 122.34 2k3m h VAL 29 Ca -0.07 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 2k3m h VAL 29 Cb 0.59 1.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2k3m h VAL 29 CO 0.11 0.12 -0.34 0.00 0.02 0.00 0.00 177.57 177.48 2k3m h ALA 31 N -1.42 -0.07 -3.66 0.00 0.00 -0.79 -3.48 119.26 109.85 2k3m h ALA 31 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2k3m h ALA 31 Cb 0.72 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2k3m h ALA 31 CO 0.16 -0.56 -0.05 0.41 0.00 0.00 0.00 179.25 179.21 2k3m n GLY 32 N -1.18 -0.36 0.42 0.00 0.00 0.40 -4.82 105.19 99.66 2k3m n GLY 32 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.38 -0.57 0.23 0.99 7.94 -1.25 -4.93 117.00 118.04 2k3m n LEU 33 Ca -0.00 0.00 0.18 0.00 -1.11 0.00 0.00 56.01 55.07 2k3m n LEU 33 Cb 0.51 -0.28 0.83 0.00 0.53 0.00 0.00 43.42 45.01 2k3m n LEU 33 CO 0.15 0.00 1.15 1.55 -1.11 0.00 0.00 177.39 179.13 2k3m h PRO 34 N 0.00 0.00 0.75 1.96 0.13 -1.87 -3.00 132.00 129.96 2k3m h PRO 34 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2k3m h PRO 34 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2k3m h PRO 34 CO 0.00 0.00 -0.36 0.78 -0.23 0.00 0.00 178.00 178.19 2k3m h GLY 35 N 0.00 -1.05 -1.59 1.56 0.00 -1.92 -3.44 103.07 96.63 2k3m h GLY 35 Ca 0.08 0.39 -0.48 0.00 0.00 0.00 0.00 47.33 47.32 2k3m h GLY 35 CO -0.00 -0.38 0.02 -1.34 0.00 0.00 0.00 176.54 174.84 2k3m s VAL 36 N -4.99 2.12 0.00 4.60 -7.23 -1.13 -4.89 120.40 108.88 2k3m s VAL 36 Ca -0.15 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 2k3m s VAL 36 Cb 0.01 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2k3m s VAL 36 CO 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.23 2k3m n ILE 37 N -2.58 0.00 -3.79 -0.62 3.06 -1.26 -4.78 119.36 109.38 2k3m n ILE 37 Ca 0.16 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.28 2k3m n ILE 37 Cb 0.61 0.00 -0.14 0.00 0.54 0.00 0.00 39.64 40.65 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 2k3m s HIS 38 N 0.00 -0.14 -0.33 9.51 3.76 -1.26 -5.07 115.29 121.76 2k3m s HIS 38 Ca 0.00 0.38 -0.20 0.00 -0.15 0.00 0.00 55.06 55.08 2k3m s HIS 38 Cb 0.00 -0.02 -0.00 0.00 1.11 0.00 0.00 32.58 33.66 2k3m s HIS 38 CO 0.00 -0.11 0.63 0.95 -0.85 0.00 0.00 174.74 175.36 2k3m s THR 39 N 0.58 4.91 0.48 1.30 -4.23 -1.26 -4.95 115.64 112.47 2k3m s THR 39 Ca -0.04 0.70 0.28 0.00 -1.18 0.00 0.00 61.69 61.45 2k3m s THR 39 Cb -0.06 -4.04 0.47 0.00 1.34 0.00 0.00 72.50 70.21 2k3m s THR 39 CO -0.03 -0.24 1.81 -0.65 -0.54 0.00 0.00 174.62 174.97 2k3m h PRO 40 N 8.35 0.16 -3.89 3.99 0.11 -2.08 -3.34 132.00 135.30 2k3m h PRO 40 Ca -0.27 -0.01 -0.70 0.00 0.11 0.00 0.00 66.00 65.13 2k3m h PRO 40 Cb 1.11 -0.04 -0.34 0.00 0.11 0.00 0.00 31.00 31.85 2k3m h PRO 40 CO 0.82 0.10 -0.38 0.00 -0.21 0.00 0.00 178.00 178.33 2k3m s ALA 41 N -5.17 3.49 -0.01 -0.75 0.00 -1.26 -5.03 121.76 113.02 2k3m s ALA 41 Ca -0.07 -3.02 -0.02 0.00 0.00 0.00 0.00 51.96 48.85 2k3m s ALA 41 Cb 0.24 -2.67 -0.00 0.00 0.00 0.00 0.00 23.12 20.69 2k3m s ALA 41 CO 0.80 -2.02 0.05 1.03 0.00 0.00 0.00 175.76 175.61 2k3m s ARG 42 N 0.37 0.16 0.22 0.00 0.52 -1.26 -5.00 118.95 113.97 2k3m s ARG 42 Ca 0.14 -0.11 0.08 0.00 -0.52 0.00 0.00 55.73 55.32 2k3m s ARG 42 Cb -0.21 0.07 0.43 0.00 0.52 0.00 0.00 34.95 35.76 2k3m s ARG 42 CO -0.04 -0.03 1.08 -2.13 0.02 0.00 0.00 175.30 174.21 2k3m n ARG 43 N 2.59 0.06 0.00 3.54 3.00 -1.26 -4.66 116.66 119.93 2k3m n ARG 43 Ca -0.16 0.46 0.00 0.00 -0.00 0.00 0.00 57.85 58.16 2k3m n ARG 43 Cb 0.58 -2.00 0.00 0.00 0.00 0.00 0.00 32.46 31.05 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 -1.27 1.56 3.29 5.14 0.00 -1.26 -5.05 105.19 107.61 2k3m n GLY 44 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.56 -0.14 0.00 1.61 -0.12 -1.26 -5.08 117.98 111.44 2k3m s PHE 45 Ca 0.00 -0.18 0.00 0.00 -0.05 0.00 0.00 56.93 56.70 2k3m s PHE 45 Cb 0.00 0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.58 2k3m s PHE 45 CO 0.00 -0.66 0.00 0.34 -0.05 0.00 0.00 175.22 174.85 2k3m n PHE 46 N -0.13 0.00 0.00 3.49 -0.00 -1.26 -5.07 117.46 114.48 2k3m n PHE 46 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 2k3m n PHE 46 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.11 2k3m n PHE 46 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 2k3m n ARG 47 N 0.22 0.00 -2.42 -4.13 1.85 -1.26 -5.04 116.66 105.89 2k3m n ARG 47 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 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 -2.39 0.97 0.00 0.00 6.03 -1.26 -5.02 114.94 113.27 2k3m s ASN 49 Ca 0.06 -0.71 -0.00 0.00 -1.03 0.00 0.00 52.86 51.17 2k3m s ASN 49 Cb -0.02 0.06 -0.00 0.00 -3.03 0.00 0.00 41.25 38.26 2k3m s ASN 49 CO 0.47 -0.29 0.44 -0.81 -2.03 0.00 0.00 177.10 174.87 2k3m n PRO 50 N 0.92 0.03 0.00 3.55 -0.04 -1.26 -4.38 135.00 133.82 2k3m n PRO 50 Ca -0.19 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2k3m n PRO 50 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 2.78 0.00 -1.72 0.54 4.71 -1.26 -4.95 120.64 120.74 2k3m n GLU 51 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 2k3m n GLU 51 Cb 0.01 -2.23 -0.01 0.00 -1.01 0.00 0.00 31.44 28.20 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 -1.61 2.30 -1.71 3.49 3.00 -1.26 -4.86 116.66 116.01 2k3m n ARG 52 Ca 0.00 0.81 -0.43 0.00 -0.01 0.00 0.00 57.85 58.22 2k3m n ARG 52 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 32.46 29.97 2k3m n ARG 52 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2k3m n ILE 53 N 0.76 0.01 -1.48 0.55 0.13 -1.26 -4.76 119.36 113.31 2k3m n ILE 53 Ca 0.05 -0.00 -0.16 0.00 -1.10 0.00 0.00 62.75 61.54 2k3m n ILE 53 Cb 0.36 -1.90 -0.12 0.00 -0.84 0.00 0.00 39.64 37.15 2k3m n ILE 53 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2k3m n GLN 54 N 3.91 0.08 -3.71 9.51 3.00 -1.26 -4.72 117.38 124.19 2k3m n GLN 54 Ca 0.16 -1.60 -0.10 0.00 -0.01 0.00 0.00 57.00 55.45 2k3m n GLN 54 Cb 0.34 -3.76 -0.04 0.00 0.00 0.00 0.00 30.24 26.78 2k3m n GLN 54 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 2k3m s ILE 55 N 16.24 0.04 0.00 5.09 2.07 -1.26 -4.96 121.20 138.43 2k3m s ILE 55 Ca 0.78 -0.73 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 2k3m s ILE 55 Cb -0.03 -1.44 0.00 0.00 0.13 0.00 0.00 42.46 41.12 2k3m s ILE 55 CO 0.20 -0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 2k3m n GLY 56 N -0.29 3.00 3.74 1.50 0.00 -1.26 -5.05 105.19 106.84 2k3m n GLY 56 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2k3m n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k3m s ASP 57 N 0.54 6.80 1.04 1.61 1.01 -1.26 -5.02 116.67 121.39 2k3m s ASP 57 Ca 0.00 2.53 -0.16 0.00 0.71 0.00 0.00 52.55 55.63 2k3m s ASP 57 Cb 0.00 -2.62 0.22 0.00 1.01 0.00 0.00 42.92 41.53 2k3m s ASP 57 CO 0.00 -0.58 1.19 0.79 0.21 0.00 0.00 175.17 176.78 2k3m n TRP 58 N 2.23 -3.97 -0.11 4.23 7.02 -1.26 -5.06 117.44 120.53 2k3m n TRP 58 Ca 0.05 -1.06 -0.17 0.00 -1.02 0.00 0.00 57.50 55.31 2k3m n TRP 58 Cb 0.42 -0.97 -0.06 0.00 -2.42 0.00 0.00 31.31 28.28 2k3m n TRP 58 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2k3m n ARG 59 N -3.79 0.55 0.00 -0.99 3.00 -1.26 -4.55 116.66 109.61 2k3m n ARG 59 Ca 0.15 0.26 0.14 0.00 -0.01 0.00 0.00 57.85 58.39 2k3m n ARG 59 Cb 0.54 -1.48 0.66 0.00 0.00 0.00 0.00 32.46 32.18 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 -4.39 0.00 0.45 -1.55 9.36 -1.26 -3.11 117.16 116.66 2k3m n TYR 60 Ca -0.29 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.05 2k3m n TYR 60 Cb 0.64 -0.36 0.46 0.00 -0.63 0.00 0.00 39.34 39.45 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 -1.36 0.17 -0.26 2.98 2.13 -1.26 -3.63 120.64 119.40 2k3m n GLU 61 Ca 0.11 0.36 -0.01 0.00 0.66 0.00 0.00 57.16 58.29 2k3m n GLU 61 Cb 0.26 -1.80 0.06 0.00 0.27 0.00 0.00 31.44 30.22 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 0.18 -0.12 6.31 -1.51 -1.83 1.75 116.25 121.04 2k3m h VAL 62 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 2k3m h VAL 62 Cb 0.39 0.18 -0.00 0.00 -2.13 0.00 0.00 31.29 29.73 2k3m h VAL 62 CO 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 177.57 176.35 2k3m h ALA 63 N 1.46 0.16 0.36 5.19 0.00 -1.88 2.05 119.26 126.61 2k3m h ALA 63 Ca 0.32 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k3m h ALA 63 Cb 0.56 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2k3m h ALA 63 CO -0.78 -0.17 -0.45 0.45 0.00 0.00 0.00 179.25 178.30 2k3m h HIS 64 N -0.03 -1.24 0.22 0.00 -0.00 -0.38 -1.74 115.15 111.97 2k3m h HIS 64 Ca 0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 2k3m h HIS 64 Cb 0.31 0.50 0.00 0.00 -0.00 0.00 0.00 27.41 28.22 2k3m h HIS 64 CO 0.02 -0.59 -0.10 0.22 -0.00 0.00 0.00 177.93 177.48 2k3m h ASP 65 N -0.85 -0.25 0.00 2.45 3.58 0.24 -2.82 116.42 118.77 2k3m h ASP 65 Ca -0.03 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2k3m h ASP 65 Cb 0.77 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2k3m h ASP 65 CO -0.12 0.13 0.00 0.61 -2.88 0.00 0.00 179.24 176.99 2k3m n GLY 66 N -0.19 0.42 0.01 -0.78 0.00 0.69 -3.03 105.19 102.31 2k3m n GLY 66 Ca -0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.08 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 1.00 0.64 -0.53 1.61 5.12 -0.66 -4.03 116.66 119.81 2k3m n ARG 67 Ca 0.00 -0.01 0.40 0.00 -1.93 0.00 0.00 57.85 56.31 2k3m n ARG 67 Cb 0.09 -1.50 0.62 0.00 -1.16 0.00 0.00 32.46 30.51 2k3m n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2k3m n LEU 68 N -1.17 0.00 0.35 0.55 0.00 -1.17 0.29 117.00 115.85 2k3m n LEU 68 Ca 0.18 0.75 -0.14 0.00 0.00 0.00 0.00 56.01 56.80 2k3m n LEU 68 Cb 0.20 -0.37 -0.07 0.00 0.00 0.00 0.00 43.42 43.18 2k3m n LEU 68 CO 0.21 -0.75 0.45 0.17 0.00 0.00 0.00 177.39 177.48 2k3m h LEU 69 N 0.00 -0.76 0.00 -1.96 -0.00 -1.91 -0.32 115.31 110.36 2k3m h LEU 69 Ca 0.71 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.61 2k3m h LEU 69 Cb 2.87 0.20 0.00 0.00 -0.00 0.00 0.00 40.66 43.72 2k3m h LEU 69 CO -0.01 -0.49 0.00 0.00 -0.00 0.00 0.00 178.44 177.95 2k3m n ALA 70 N -2.53 -0.05 0.00 0.17 0.00 0.84 -3.55 120.51 115.40 2k3m n ALA 70 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k3m n ALA 70 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.62 0.38 -0.01 0.00 0.00 0.45 -4.27 120.51 115.45 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 -0.25 -0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.44 -0.01 -0.03 0.00 1.44 -0.13 0.19 115.22 116.24 2k3m n HIS 72 Ca 0.00 0.02 -0.14 0.00 -2.01 0.00 0.00 57.72 55.58 2k3m n HIS 72 Cb 0.00 -0.12 -0.10 0.00 0.12 0.00 0.00 29.99 29.89 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 0.16 -0.83 -1.40 2.86 -1.84 -3.31 114.93 110.58 2k3m h MET 73 Ca 0.00 -0.13 0.18 0.00 -2.06 0.00 0.00 59.70 57.69 2k3m h MET 73 Cb 0.01 0.03 -0.15 0.00 0.06 0.00 0.00 31.60 31.54 2k3m h MET 73 CO -0.01 0.79 -0.14 0.28 1.06 0.00 0.00 176.91 178.89 2k3m h VAL 74 N -0.43 0.19 -0.06 -2.22 2.07 0.18 0.85 116.25 116.83 2k3m h VAL 74 Ca -0.01 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2k3m h VAL 74 Cb 0.82 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2k3m h VAL 74 CO 0.03 0.00 0.84 -3.20 0.02 0.00 0.00 177.57 175.26 2k3m n ASN 75 N -5.49 0.00 0.28 0.57 5.15 0.32 0.28 115.26 116.37 2k3m n ASN 75 Ca 0.13 0.43 0.13 0.00 -0.60 0.00 0.00 54.58 54.67 2k3m n ASN 75 Cb 0.46 -0.01 0.59 0.00 -0.53 0.00 0.00 39.78 40.28 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 0.33 8.20 0.00 0.52 0.16 103.07 112.28 2k3m h GLY 76 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.47 2k3m h GLY 76 CO -0.00 0.00 0.36 -2.22 0.00 0.00 0.00 176.54 174.68 2k3m h ILE 77 N 0.00 0.77 0.00 2.60 2.04 0.38 0.63 117.51 123.93 2k3m h ILE 77 Ca 0.04 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2k3m h ILE 77 Cb 1.15 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2k3m h ILE 77 CO -0.00 0.10 0.47 0.58 0.00 0.00 0.00 178.15 179.31 2k3m h VAL 78 N 0.57 0.00 0.11 1.67 2.07 -1.20 0.30 116.25 119.77 2k3m h VAL 78 Ca 0.39 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.56 2k3m h VAL 78 Cb 0.50 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2k3m h VAL 78 CO -0.33 0.00 -1.95 2.30 0.02 0.00 0.00 177.57 177.61 2k3m n ILE 79 N -2.77 1.77 0.08 4.57 -5.35 0.20 -3.38 119.36 114.49 2k3m n ILE 79 Ca -0.02 -0.68 -0.02 0.00 -0.27 0.00 0.00 62.75 61.76 2k3m n ILE 79 Cb 0.51 -1.65 -0.06 0.00 -1.74 0.00 0.00 39.64 36.70 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m h ALA 80 N 0.20 0.56 0.00 -1.28 0.00 -0.79 -2.72 119.26 115.23 2k3m h ALA 80 Ca -0.40 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.74 2k3m h ALA 80 Cb 2.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2k3m h ALA 80 CO 0.09 0.98 -0.05 1.05 0.00 0.00 0.00 179.25 181.32 2k3m h GLU 81 N 0.00 0.00 0.00 0.00 4.11 -0.72 -3.38 114.58 114.59 2k3m h GLU 81 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2k3m h GLU 81 Cb 1.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.86 2k3m h GLU 81 CO 0.09 0.00 -0.00 -0.44 0.07 0.00 0.00 179.01 178.73 2k3m h ASP 82 N -0.24 0.00 0.00 3.06 3.32 -1.74 -3.32 116.42 117.50 2k3m h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k3m h ASP 82 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2k3m h ASP 82 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2k3m n ALA 83 N -2.09 0.00 -0.15 3.45 0.00 -1.03 -1.02 120.51 119.67 2k3m n ALA 83 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k3m n ALA 83 Cb 0.21 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.68 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 -3.73 -0.25 -0.02 0.00 7.99 -1.25 0.53 117.00 120.27 2k3m n LEU 84 Ca 0.00 0.70 -0.15 0.00 -0.01 0.00 0.00 56.01 56.54 2k3m n LEU 84 Cb 0.00 -0.16 -0.14 0.00 -0.11 0.00 0.00 43.42 43.01 2k3m n LEU 84 CO 0.00 -0.63 -0.73 2.30 -1.51 0.00 0.00 177.39 176.82 2k3m n ILE 85 N -4.59 1.68 0.05 -0.08 -5.35 -0.19 -3.94 119.36 106.93 2k3m n ILE 85 Ca 0.04 -0.72 -0.11 0.00 -0.27 0.00 0.00 62.75 61.69 2k3m n ILE 85 Cb 0.16 -1.38 -0.05 0.00 -1.74 0.00 0.00 39.64 36.64 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 0.49 -0.41 -0.03 -1.28 0.00 0.15 0.58 119.26 118.76 2k3m h ALA 86 Ca -0.38 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2k3m h ALA 86 Cb 2.03 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 20.36 2k3m h ALA 86 CO 0.08 -0.80 0.14 1.49 0.00 0.00 0.00 179.25 180.15 2k3m h GLU 87 N -0.44 0.00 0.00 0.00 4.22 -0.42 0.83 114.58 118.77 2k3m h GLU 87 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.51 2k3m h GLU 87 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2k3m h GLU 87 CO -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 179.01 176.55 2k3m n ALA 88 N -2.07 1.88 0.00 2.92 0.00 0.20 -3.88 120.51 119.56 2k3m n ALA 88 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3m n ALA 88 Cb 0.21 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.06 0.00 -0.24 0.00 0.24 0.29 -4.13 118.33 112.43 2k3m n VAL 89 Ca 0.04 0.00 0.19 0.00 -2.04 0.00 0.00 64.34 62.53 2k3m n VAL 89 Cb 0.28 -0.43 0.36 0.00 -1.47 0.00 0.00 33.84 32.57 2k3m n VAL 89 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k3m n GLY 90 N -0.16 -0.68 0.00 7.63 0.00 -1.25 0.31 105.19 111.03 2k3m n GLY 90 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2k3m n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k3m n PRO 91 N -4.74 0.00 -0.32 1.61 -0.04 -1.26 -2.68 135.00 127.57 2k3m n PRO 91 Ca 0.24 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 2k3m n PRO 91 Cb 0.81 -1.46 0.27 0.00 -0.04 0.00 0.00 33.50 33.08 2k3m n PRO 91 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2k3m h HIS 92 N 0.00 0.85 -0.81 0.54 -0.00 0.45 0.63 115.15 116.81 2k3m h HIS 92 Ca 0.00 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 2k3m h HIS 92 Cb 0.00 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.13 2k3m h HIS 92 CO 0.00 0.16 0.34 1.25 -0.00 0.00 0.00 177.93 179.68 2k3m h LEU 93 N 0.63 1.10 0.91 0.26 5.85 -1.77 2.90 115.31 125.19 2k3m h LEU 93 Ca 0.52 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 2k3m h LEU 93 Cb 0.81 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.56 2k3m h LEU 93 CO -0.40 0.96 -0.44 0.00 -0.34 0.00 0.00 178.44 178.23 2k3m h ALA 94 N 1.19 -1.24 -0.22 1.25 0.00 -0.25 0.03 119.26 120.03 2k3m h ALA 94 Ca 0.27 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2k3m h ALA 94 Cb 0.20 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2k3m h ALA 94 CO -0.02 -1.15 0.16 0.00 0.00 0.00 0.00 179.25 178.23 2k3m h ARG 95 N -1.31 0.00 0.32 0.00 2.47 -0.03 -2.18 114.38 113.65 2k3m h ARG 95 Ca -0.12 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 2k3m h ARG 95 Cb 0.94 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.25 2k3m h ARG 95 CO 0.20 0.00 -0.20 0.00 0.56 0.00 0.00 179.97 180.54 2k3m h ALA 96 N 1.89 -0.49 -1.28 0.04 0.00 0.64 -0.32 119.26 119.75 2k3m h ALA 96 Ca 0.10 -0.09 0.37 0.00 0.00 0.00 0.00 54.91 55.29 2k3m h ALA 96 Cb 0.42 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2k3m h ALA 96 CO -0.00 -0.78 1.00 -0.11 0.00 0.00 0.00 179.25 179.36 2k3m n LEU 97 N -5.32 0.00 -0.09 0.00 0.00 -0.12 0.65 117.00 112.12 2k3m n LEU 97 Ca -0.10 0.68 -0.16 0.00 0.00 0.00 0.00 56.01 56.44 2k3m n LEU 97 Cb 0.23 -0.32 -0.09 0.00 0.00 0.00 0.00 43.42 43.25 2k3m n LEU 97 CO 0.34 -0.68 -0.37 1.23 0.00 0.00 0.00 177.39 177.90 2k3m h GLY 98 N 0.00 0.00 0.38 -3.96 0.00 -1.24 -3.33 103.07 94.92 2k3m h GLY 98 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 2k3m h GLY 98 CO -0.01 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.35 2k3m n GLN 99 N -4.51 0.94 -0.07 4.80 7.27 0.63 -3.44 117.38 123.00 2k3m n GLN 99 Ca -0.22 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.74 2k3m n GLN 99 Cb 0.52 -1.19 -0.04 0.00 2.41 0.00 0.00 30.24 31.94 2k3m n GLN 99 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2k3m h ILE 100 N 0.00 1.18 0.57 1.69 1.08 2.01 -2.96 117.51 121.08 2k3m h ILE 100 Ca 0.00 -0.58 -0.02 0.00 -0.39 0.00 0.00 64.86 63.88 2k3m h ILE 100 Cb 0.00 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 2k3m h ILE 100 CO 0.00 0.19 -0.51 -0.37 -0.69 0.00 0.00 178.15 176.76 2k3m h VAL 101 N 0.20 0.00 0.00 1.67 -1.51 -1.77 -1.28 116.25 113.55 2k3m h VAL 101 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.54 2k3m h VAL 101 Cb 0.22 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.38 2k3m h VAL 101 CO -0.00 0.00 0.93 0.00 -1.23 0.00 0.00 177.57 177.27 2k3m h ARG 103 N 0.00 0.15 -0.70 0.00 2.43 -1.12 -3.16 114.38 111.98 2k3m h ARG 103 Ca 0.00 -0.25 -0.15 0.00 -0.81 0.00 0.00 59.98 58.77 2k3m h ARG 103 Cb 1.86 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 31.41 2k3m h ARG 103 CO 0.00 0.88 0.19 2.48 -1.51 0.00 0.00 179.97 182.02 2k3m n TYR 104 N -3.28 2.38 0.00 2.20 4.11 0.29 -4.81 117.16 118.04 2k3m n TYR 104 Ca -0.24 -1.06 0.00 0.00 -0.00 0.00 0.00 57.90 56.59 2k3m n TYR 104 Cb 1.05 -0.64 0.00 0.00 -0.00 0.00 0.00 39.34 39.75 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 0.09 -1.25 2.39 -7.48 0.00 -0.50 -5.01 105.19 93.43 2k3m n GLY 105 Ca 0.37 0.54 -0.08 0.00 0.00 0.00 0.00 46.02 46.85 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 -2.62 -1.45 0.03 4.61 0.00 -1.19 -5.00 120.51 114.88 2k3m n ALA 106 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 2k3m n ALA 106 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 19.45 16.45 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 -0.64 0.36 -0.21 0.00 2.02 -1.96 -3.34 112.91 109.14 2k3m h THR 107 Ca -0.32 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 65.74 2k3m h THR 107 Cb 1.17 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2k3m h THR 107 CO 0.24 0.11 -0.12 -0.37 0.37 0.00 0.00 175.52 175.75 2k3m h VAL 108 N -1.01 1.31 -0.84 3.16 -1.51 -2.00 -3.30 116.25 112.06 2k3m h VAL 108 Ca -0.02 -1.20 0.13 0.00 -1.23 0.00 0.00 66.70 64.38 2k3m h VAL 108 Cb 0.33 1.65 -0.14 0.00 -2.13 0.00 0.00 31.29 31.00 2k3m h VAL 108 CO 0.03 0.37 -0.33 -0.38 -1.23 0.00 0.00 177.57 176.03 2k3m n ILE 109 N -4.53 -0.44 0.24 7.19 2.08 -1.26 0.28 119.36 122.92 2k3m n ILE 109 Ca -0.05 1.97 0.17 0.00 0.56 0.00 0.00 62.75 65.41 2k3m n ILE 109 Cb 0.34 -2.61 0.88 0.00 -0.75 0.00 0.00 39.64 37.50 2k3m n ILE 109 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2k3m h PRO 110 N 0.00 0.00 0.33 0.38 0.11 -1.68 -2.18 132.00 128.96 2k3m h PRO 110 Ca 0.30 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.39 2k3m h PRO 110 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2k3m h PRO 110 CO -0.84 0.00 -0.16 -2.95 -0.21 0.00 0.00 178.00 173.85 2k3m h ASN 111 N 0.00 -0.37 0.09 -2.05 -1.07 0.39 -2.82 115.58 109.75 2k3m h ASN 111 Ca 0.06 0.01 -0.01 0.00 0.07 0.00 0.00 56.30 56.43 2k3m h ASN 111 Cb 0.40 0.10 -0.00 0.00 -2.07 0.00 0.00 38.32 36.75 2k3m h ASN 111 CO -0.00 -0.24 -0.06 -0.29 0.07 0.00 0.00 177.43 176.91 2k3m h ILE 112 N -0.50 0.83 0.40 6.14 2.10 -1.53 -2.91 117.51 122.03 2k3m h ILE 112 Ca -0.05 -0.23 -0.02 0.00 1.08 0.00 0.00 64.86 65.65 2k3m h ILE 112 Cb 0.34 1.13 -0.00 0.00 -1.09 0.00 0.00 36.82 37.20 2k3m h ILE 112 CO 0.07 0.06 -0.26 0.78 -1.08 0.00 0.00 178.15 177.73 2k3m h ASN 113 N 0.00 -0.66 0.62 2.19 -0.26 -1.30 0.35 115.58 116.52 2k3m h ASN 113 Ca -0.00 0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.75 2k3m h ASN 113 Cb 0.13 0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.58 2k3m h ASN 113 CO 0.01 -0.39 -0.15 0.00 -1.06 0.00 0.00 177.43 175.84 2k3m h ALA 114 N -1.50 1.14 0.04 -0.83 0.00 -1.51 -1.73 119.26 114.87 2k3m h ALA 114 Ca -0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k3m h ALA 114 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k3m h ALA 114 CO 0.04 0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.46 2k3m h ALA 115 N 1.85 -0.07 -0.11 0.00 0.00 -1.30 -3.30 119.26 116.34 2k3m h ALA 115 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 115 Cb 0.50 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k3m h ALA 115 CO 0.02 -0.06 -0.11 0.82 0.00 0.00 0.00 179.25 179.92 2k3m h ILE 116 N -0.72 1.35 -0.32 0.00 2.04 -0.39 -3.01 117.51 116.46 2k3m h ILE 116 Ca -0.01 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.64 2k3m h ILE 116 Cb 0.04 1.93 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 2k3m h ILE 116 CO 0.01 0.36 -0.55 -0.33 0.00 0.00 0.00 178.15 177.64 2k3m h GLU 117 N -0.12 -0.44 0.00 2.37 5.08 -1.36 3.12 114.58 123.23 2k3m h GLU 117 Ca 0.02 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2k3m h GLU 117 Cb 0.63 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2k3m h GLU 117 CO 0.03 -0.29 0.18 0.28 -1.00 0.00 0.00 179.01 178.20 2k3m h VAL 118 N -0.46 0.00 0.01 3.13 2.07 -1.64 -1.65 116.25 117.71 2k3m h VAL 118 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 2k3m h VAL 118 Cb 0.62 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2k3m h VAL 118 CO -0.54 0.00 -0.00 0.25 0.02 0.00 0.00 177.57 177.29 2k3m h LEU 119 N 0.00 -0.01 0.00 2.57 7.12 0.57 -3.43 115.31 122.14 2k3m h LEU 119 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2k3m h LEU 119 Cb 0.36 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 2k3m h LEU 119 CO 0.00 0.44 0.00 0.61 -0.13 0.00 0.00 178.44 179.36 2k3m n GLY 120 N 1.78 -1.13 0.00 3.75 0.00 0.19 -4.95 105.19 104.84 2k3m n GLY 120 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k3m n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k3m n THR 121 N -0.28 0.00 0.00 2.61 -2.24 -0.85 -5.04 114.28 108.47 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k3m n THR 121 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k3m n GLY 122 N -0.17 2.58 1.83 3.38 0.00 -1.10 -4.83 105.19 106.89 2k3m n GLY 122 Ca 0.00 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 0.00 -3.81 2.61 5.66 -1.26 -4.82 114.28 112.66 2k3m n THR 123 Ca 0.00 -0.18 -0.12 0.00 -3.05 0.00 0.00 64.05 60.70 2k3m n THR 123 Cb 0.00 -0.08 -0.11 0.00 -1.55 0.00 0.00 70.33 68.59 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 1.51 -0.17 -0.04 1.09 1.01 -1.26 -4.98 116.67 113.84 2k3m s ASP 124 Ca 0.70 0.26 -0.12 0.00 0.71 0.00 0.00 52.55 54.10 2k3m s ASP 124 Cb -0.51 0.39 0.02 0.00 1.01 0.00 0.00 42.92 43.82 2k3m s ASP 124 CO 0.28 -0.19 0.26 -0.72 0.21 0.00 0.00 175.17 175.02 2k3m s TYR 125 N -0.39 -0.17 -0.03 4.23 1.13 -1.26 -5.17 117.35 115.69 2k3m s TYR 125 Ca -0.05 0.32 -0.09 0.00 -1.41 0.00 0.00 57.07 55.84 2k3m s TYR 125 Cb -0.03 0.07 0.01 0.00 -1.10 0.00 0.00 41.96 40.91 2k3m s TYR 125 CO 0.01 -0.30 0.20 1.03 -2.51 0.00 0.00 175.55 173.98 2k3m s ARG 126 N -0.93 0.43 0.00 -3.49 1.81 -1.26 -5.19 118.95 110.33 2k3m s ARG 126 Ca -0.10 -0.10 0.00 0.00 -1.72 0.00 0.00 55.73 53.81 2k3m s ARG 126 Cb -0.05 0.19 0.00 0.00 -0.45 0.00 0.00 34.95 34.64 2k3m s ARG 126 CO 0.03 -0.10 0.00 0.34 -0.68 0.00 0.00 175.30 174.89