#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 1.50 -2.87 7.83 3.41 -1.26 -4.89 113.62 117.35 2k3m n SER 2 Ca 0.00 -1.25 0.02 0.00 -0.26 0.00 0.00 58.87 57.39 2k3m n SER 2 Cb 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2k3m n SER 2 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2k3m s ASP 3 N -1.46 -0.42 -0.09 4.04 -4.77 -1.26 -5.16 116.67 107.55 2k3m s ASP 3 Ca 0.11 -0.16 -0.14 0.00 -3.30 0.00 0.00 52.55 49.06 2k3m s ASP 3 Cb 0.10 0.67 0.03 0.00 -1.09 0.00 0.00 42.92 42.63 2k3m s ASP 3 CO 0.28 -0.05 0.35 0.12 0.70 0.00 0.00 175.17 176.57 2k3m s PHE 4 N 2.15 -0.32 -0.06 2.11 2.19 -1.26 -5.17 117.98 117.63 2k3m s PHE 4 Ca 0.17 0.70 -0.16 0.00 0.33 0.00 0.00 56.93 57.97 2k3m s PHE 4 Cb 0.02 0.13 0.03 0.00 -1.31 0.00 0.00 43.02 41.89 2k3m s PHE 4 CO -0.16 -0.28 0.36 0.34 1.83 0.00 0.00 175.22 177.30 2k3m s ASP 5 N -0.46 -0.29 0.48 6.13 -1.08 -1.26 -5.04 116.67 115.15 2k3m s ASP 5 Ca -0.06 0.35 0.08 0.00 -0.52 0.00 0.00 52.55 52.40 2k3m s ASP 5 Cb -0.04 0.48 0.08 0.00 -1.46 0.00 0.00 42.92 41.98 2k3m s ASP 5 CO 0.02 -0.36 0.65 0.41 0.52 0.00 0.00 175.17 176.41 2k3m n THR 6 N 1.75 0.00 -0.33 1.71 -1.04 -1.26 -4.68 114.28 110.44 2k3m n THR 6 Ca -0.19 -1.64 0.05 0.00 -2.04 0.00 0.00 64.05 60.23 2k3m n THR 6 Cb 0.56 -0.56 0.20 0.00 -1.82 0.00 0.00 70.33 68.72 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 0.88 0.34 -2.82 4.81 -2.01 4.79 114.58 120.57 2k3m h GLU 7 Ca -0.23 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 2k3m h GLU 7 Cb 1.05 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2k3m h GLU 7 CO 0.33 0.58 -0.16 0.00 -0.73 0.00 0.00 179.01 179.03 2k3m h ARG 8 N 0.90 -0.44 -0.68 1.92 3.08 -1.95 1.08 114.38 118.30 2k3m h ARG 8 Ca 0.44 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.57 2k3m h ARG 8 Cb 0.41 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 2k3m h ARG 8 CO -0.25 -0.29 0.40 0.28 -1.07 0.00 0.00 179.97 179.04 2k3m h VAL 9 N -0.72 1.03 0.24 2.04 2.07 -1.90 1.19 116.25 120.19 2k3m h VAL 9 Ca -0.05 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2k3m h VAL 9 Cb 0.35 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2k3m h VAL 9 CO 0.08 0.14 -0.11 -1.28 0.02 0.00 0.00 177.57 176.41 2k3m h SER 10 N 0.76 -0.27 -0.72 0.57 0.87 0.95 0.11 113.55 115.82 2k3m h SER 10 Ca 0.29 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2k3m h SER 10 Cb 0.11 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2k3m h SER 10 CO -0.15 -0.11 0.43 -0.09 -0.53 0.00 0.00 176.83 176.39 2k3m h ARG 11 N -0.49 0.98 0.48 2.24 9.65 0.13 1.62 114.38 128.98 2k3m h ARG 11 Ca -0.03 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 58.73 2k3m h ARG 11 Cb 0.24 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2k3m h ARG 11 CO 0.05 0.70 -0.23 0.00 2.80 0.00 0.00 179.97 183.29 2k3m h ALA 12 N 1.23 -0.70 -0.51 2.80 0.00 0.16 0.85 119.26 123.09 2k3m h ALA 12 Ca 0.26 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2k3m h ALA 12 Cb -0.03 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2k3m h ALA 12 CO -0.05 -0.65 0.24 -0.24 0.00 0.00 0.00 179.25 178.56 2k3m h VAL 13 N -1.07 0.93 0.31 0.00 3.04 -0.69 1.29 116.25 120.07 2k3m h VAL 13 Ca -0.07 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 2k3m h VAL 13 Cb 0.49 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 2k3m h VAL 13 CO 0.11 0.09 -0.15 0.00 -1.01 0.00 0.00 177.57 176.60 2k3m h ALA 14 N 1.29 -0.79 -0.31 3.17 0.00 0.24 3.59 119.26 126.44 2k3m h ALA 14 Ca 0.23 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2k3m h ALA 14 Cb 0.16 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2k3m h ALA 14 CO -0.18 -0.76 -0.27 0.00 0.00 0.00 0.00 179.25 178.05 2k3m h ALA 15 N -1.66 -0.12 0.69 0.00 0.00 0.79 2.96 119.26 121.93 2k3m h ALA 15 Ca -0.04 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2k3m h ALA 15 Cb 0.32 0.57 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2k3m h ALA 15 CO 0.07 -0.68 -0.33 0.00 0.00 0.00 0.00 179.25 178.31 2k3m h ALA 16 N 0.82 -0.93 0.18 0.00 0.00 0.17 2.17 119.26 121.66 2k3m h ALA 16 Ca 0.16 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k3m h ALA 16 Cb 0.49 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2k3m h ALA 16 CO -0.45 -0.86 -0.31 1.25 0.00 0.00 0.00 179.25 178.87 2k3m h LEU 17 N -1.25 -0.89 0.42 0.00 6.46 0.73 1.06 115.31 121.85 2k3m h LEU 17 Ca -0.10 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2k3m h LEU 17 Cb 0.72 0.33 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2k3m h LEU 17 CO 0.16 -0.41 -0.20 -0.37 -0.62 0.00 0.00 178.44 176.99 2k3m h VAL 18 N -0.57 0.09 -1.07 1.05 -1.51 0.55 -3.35 116.25 111.44 2k3m h VAL 18 Ca 0.02 -0.60 -0.05 0.00 -1.23 0.00 0.00 66.70 64.83 2k3m h VAL 18 Cb 0.58 0.15 0.03 0.00 -2.13 0.00 0.00 31.29 29.91 2k3m h VAL 18 CO -0.15 0.02 -0.02 0.61 -1.23 0.00 0.00 177.57 176.80 2k3m n GLY 19 N 0.25 -2.92 0.11 5.19 0.00 0.73 -4.82 105.19 103.73 2k3m n GLY 19 Ca -0.08 -0.96 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 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 0.90 1.61 0.13 -1.76 -3.32 132.00 129.57 2k3m h PRO 20 Ca -0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 2k3m h PRO 20 Cb 0.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.31 2k3m h PRO 20 CO 0.03 0.63 -0.44 0.78 -0.23 0.00 0.00 178.00 178.77 2k3m h GLY 21 N 3.37 -1.29 0.59 1.56 0.00 -1.78 3.57 103.07 109.09 2k3m h GLY 21 Ca -0.04 0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 2k3m h GLY 21 CO 0.08 -0.47 -0.37 -1.33 0.00 0.00 0.00 176.54 174.45 2k3m h GLY 22 N -1.23 -0.87 0.81 4.60 0.00 0.99 0.62 103.07 108.00 2k3m h GLY 22 Ca -0.12 0.43 0.17 0.00 0.00 0.00 0.00 47.33 47.81 2k3m h GLY 22 CO 0.20 -0.30 0.43 -2.08 0.00 0.00 0.00 176.54 174.78 2k3m h VAL 23 N -0.76 0.67 0.37 4.60 2.07 -1.36 -0.45 116.25 121.39 2k3m h VAL 23 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2k3m h VAL 23 Cb 0.69 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2k3m h VAL 23 CO -0.08 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.33 2k3m h ALA 24 N 1.68 -0.95 -0.20 1.67 0.00 1.23 -0.41 119.26 122.28 2k3m h ALA 24 Ca 0.28 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2k3m h ALA 24 Cb 1.13 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2k3m h ALA 24 CO -0.00 -0.92 0.07 1.25 0.00 0.00 0.00 179.25 179.65 2k3m h LEU 25 N -0.58 0.08 0.72 0.00 5.85 -0.60 0.53 115.31 121.31 2k3m h LEU 25 Ca -0.05 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2k3m h LEU 25 Cb 0.38 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2k3m h LEU 25 CO 0.08 0.07 -0.43 0.58 -0.34 0.00 0.00 178.44 178.41 2k3m h VAL 26 N 0.17 0.00 -0.79 1.05 2.07 -1.15 0.63 116.25 118.22 2k3m h VAL 26 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 2k3m h VAL 26 Cb 0.06 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.77 2k3m h VAL 26 CO -0.09 0.00 0.52 1.62 0.02 0.00 0.00 177.57 179.63 2k3m h VAL 27 N -1.07 0.96 0.56 2.57 3.04 -1.07 0.21 116.25 121.44 2k3m h VAL 27 Ca -0.10 -0.25 -0.03 0.00 -1.01 0.00 0.00 66.70 65.31 2k3m h VAL 27 Cb 0.85 0.16 0.01 0.00 -2.01 0.00 0.00 31.29 30.29 2k3m h VAL 27 CO 0.11 0.13 -0.27 0.11 -1.01 0.00 0.00 177.57 176.64 2k3m h LYS 28 N 0.74 -0.73 0.02 4.17 1.57 -0.30 -0.33 116.57 121.70 2k3m h LYS 28 Ca 0.36 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2k3m h LYS 28 Cb 0.42 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2k3m h LYS 28 CO -0.14 -0.46 -0.01 0.28 -0.57 0.00 0.00 179.45 178.56 2k3m h VAL 29 N -1.16 1.07 0.61 0.50 2.07 0.42 0.39 116.25 120.14 2k3m h VAL 29 Ca -0.08 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2k3m h VAL 29 Cb 0.61 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2k3m h VAL 29 CO 0.13 0.07 -0.29 0.00 0.02 0.00 0.00 177.57 177.49 2k3m h ALA 31 N -1.46 0.36 -3.38 0.00 0.00 -1.12 -3.47 119.26 110.19 2k3m h ALA 31 Ca -0.08 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k3m h ALA 31 Cb 0.63 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2k3m h ALA 31 CO 0.14 -0.32 -0.02 0.41 0.00 0.00 0.00 179.25 179.45 2k3m n GLY 32 N -1.22 -0.28 0.23 0.00 0.00 0.14 -4.78 105.19 99.28 2k3m n GLY 32 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.23 -1.40 0.23 0.99 4.77 -1.24 -4.80 117.00 114.33 2k3m n LEU 33 Ca -0.00 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.13 2k3m n LEU 33 Cb 0.50 -0.24 0.65 0.00 -2.33 0.00 0.00 43.42 42.00 2k3m n LEU 33 CO 0.09 0.00 0.95 1.55 -1.33 0.00 0.00 177.39 178.65 2k3m h PRO 34 N 0.00 0.00 0.55 3.23 0.13 -1.91 -3.30 132.00 130.70 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 31.14 2k3m h PRO 34 CO 0.00 0.00 -0.27 0.78 -0.23 0.00 0.00 178.00 178.28 2k3m h GLY 35 N 1.94 -0.78 0.00 1.56 0.00 -1.91 -3.44 103.07 100.43 2k3m h GLY 35 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2k3m h GLY 35 CO 0.00 -0.28 0.00 1.55 0.00 0.00 0.00 176.54 177.81 2k3m n VAL 36 N -4.26 0.00 -1.81 4.60 3.14 -1.24 -4.92 118.33 113.83 2k3m n VAL 36 Ca -0.09 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.28 2k3m n VAL 36 Cb 0.29 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 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 -0.03 -3.67 -3.98 1.55 0.00 -1.26 -4.99 119.36 106.97 2k3m n ILE 37 Ca 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 62.75 62.71 2k3m n ILE 37 Cb 0.00 -4.57 -0.15 0.00 0.00 0.00 0.00 39.64 34.92 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2k3m s HIS 38 N -1.90 0.31 -0.22 9.51 3.76 -1.26 -5.11 115.29 120.38 2k3m s HIS 38 Ca 0.04 -0.03 -0.06 0.00 -0.15 0.00 0.00 55.06 54.86 2k3m s HIS 38 Cb -0.01 -0.32 -0.02 0.00 1.11 0.00 0.00 32.58 33.33 2k3m s HIS 38 CO 0.17 -0.08 0.02 -0.08 -0.85 0.00 0.00 174.74 173.92 2k3m s THR 39 N 0.57 4.03 0.54 1.30 -1.32 -1.26 -4.99 115.64 114.51 2k3m s THR 39 Ca -0.06 -0.28 0.33 0.00 -1.21 0.00 0.00 61.69 60.47 2k3m s THR 39 Cb -0.09 -2.84 0.36 0.00 -1.51 0.00 0.00 72.50 68.42 2k3m s THR 39 CO -0.01 0.40 2.22 -0.65 -2.21 0.00 0.00 174.62 174.37 2k3m h PRO 40 N 7.78 0.00 -4.82 7.08 0.11 -2.08 -3.41 132.00 136.66 2k3m h PRO 40 Ca -0.37 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.22 2k3m h PRO 40 Cb 1.17 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.96 2k3m h PRO 40 CO 0.60 0.03 -0.82 0.00 -0.21 0.00 0.00 178.00 177.61 2k3m s ALA 41 N -4.35 1.31 -0.03 -0.75 0.00 -1.26 -5.13 121.76 111.55 2k3m s ALA 41 Ca -0.04 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.19 2k3m s ALA 41 Cb 0.14 -0.52 0.07 0.00 0.00 0.00 0.00 23.12 22.81 2k3m s ALA 41 CO 0.52 0.18 0.99 2.89 0.00 0.00 0.00 175.76 180.34 2k3m n ARG 42 N 3.51 0.11 -0.16 0.00 0.00 -1.26 -5.01 116.66 113.85 2k3m n ARG 42 Ca -0.20 -0.54 -0.05 0.00 -0.00 0.00 0.00 57.85 57.06 2k3m n ARG 42 Cb 0.53 0.93 0.05 0.00 -0.00 0.00 0.00 32.46 33.96 2k3m n ARG 42 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2k3m h ARG 43 N 0.00 0.44 0.00 2.89 2.43 -1.99 -3.46 114.38 114.69 2k3m h ARG 43 Ca -0.16 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2k3m h ARG 43 Cb 0.89 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2k3m h ARG 43 CO 0.23 0.29 0.00 0.41 -1.51 0.00 0.00 179.97 179.40 2k3m n GLY 44 N -1.24 1.40 3.68 2.80 0.00 -1.26 -5.05 105.19 105.52 2k3m n GLY 44 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2k3m n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k3m s PHE 45 N -1.59 -0.26 0.00 1.61 0.40 -1.26 -5.12 117.98 111.75 2k3m s PHE 45 Ca 0.00 -0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 2k3m s PHE 45 Cb 0.00 0.61 0.00 0.00 0.51 0.00 0.00 43.02 44.14 2k3m s PHE 45 CO 0.00 -1.08 0.00 1.19 0.70 0.00 0.00 175.22 176.03 2k3m n PHE 46 N -0.42 0.00 0.00 0.36 3.01 -1.26 -5.13 117.46 114.02 2k3m n PHE 46 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 2k3m n PHE 46 Cb 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 2k3m n PHE 46 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2k3m n ARG 47 N 2.38 0.00 -2.98 -1.08 -4.01 -1.26 -5.03 116.66 104.69 2k3m n ARG 47 Ca 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 57.85 56.77 2k3m n ARG 47 Cb 0.00 0.00 0.02 0.00 -3.04 0.00 0.00 32.46 29.44 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2k3m s ASN 49 N -3.04 -0.12 0.00 0.00 0.01 -1.26 -5.02 114.94 105.51 2k3m s ASN 49 Ca 0.12 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.95 2k3m s ASN 49 Cb -0.02 0.40 0.00 0.00 0.41 0.00 0.00 41.25 42.04 2k3m s ASN 49 CO 0.68 -0.72 0.20 -2.65 -1.51 0.00 0.00 177.10 173.10 2k3m n PRO 50 N 0.17 0.00 -3.89 -0.60 -0.02 -1.26 -3.88 135.00 125.52 2k3m n PRO 50 Ca -0.17 -0.06 -0.30 0.00 -2.02 0.00 0.00 63.50 60.94 2k3m n PRO 50 Cb 0.61 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 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 2.49 -2.08 -3.90 -0.52 1.02 -1.26 -4.97 120.64 111.41 2k3m n GLU 51 Ca 0.00 0.37 -0.09 0.00 -0.02 0.00 0.00 57.16 57.41 2k3m n GLU 51 Cb 0.00 -4.10 -0.05 0.00 -0.02 0.00 0.00 31.44 27.27 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2k3m s ARG 52 N -6.50 1.41 0.73 3.49 0.52 -1.25 -5.10 118.95 112.25 2k3m s ARG 52 Ca 0.23 -1.10 -0.08 0.00 -0.52 0.00 0.00 55.73 54.25 2k3m s ARG 52 Cb -0.09 0.47 0.06 0.00 0.52 0.00 0.00 34.95 35.91 2k3m s ARG 52 CO 0.89 -0.58 1.06 -1.50 0.02 0.00 0.00 175.30 175.20 2k3m s ILE 53 N -3.96 2.32 -0.03 1.52 1.10 -1.26 -4.77 121.20 116.12 2k3m s ILE 53 Ca 0.17 -0.13 0.01 0.00 -0.51 0.00 0.00 60.65 60.18 2k3m s ILE 53 Cb 0.00 -3.05 0.02 0.00 0.15 0.00 0.00 42.46 39.58 2k3m s ILE 53 CO 0.03 -0.06 -0.04 0.00 -2.11 0.00 0.00 174.94 172.77 2k3m s GLN 54 N -5.34 0.64 0.04 3.50 0.00 -1.26 -5.08 119.66 112.15 2k3m s GLN 54 Ca 0.60 -0.09 -0.08 0.00 -0.00 0.00 0.00 55.36 55.79 2k3m s GLN 54 Cb -0.11 -0.67 -0.00 0.00 0.00 0.00 0.00 33.01 32.23 2k3m s GLN 54 CO 0.46 -0.04 0.15 0.96 0.00 0.00 0.00 175.29 176.82 2k3m s ILE 55 N 0.68 0.12 0.00 3.63 -0.00 -1.26 -4.87 121.20 119.49 2k3m s ILE 55 Ca -0.08 -0.97 0.00 0.00 -0.00 0.00 0.00 60.65 59.60 2k3m s ILE 55 Cb -0.12 -0.89 0.00 0.00 -0.00 0.00 0.00 42.46 41.46 2k3m s ILE 55 CO -0.00 -0.53 0.00 0.61 -0.00 0.00 0.00 174.94 175.01 2k3m n GLY 56 N 0.75 0.75 3.57 6.27 0.00 -1.26 -5.06 105.19 110.21 2k3m n GLY 56 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.49 6.27 1.01 1.61 1.01 -1.26 -5.08 116.67 117.75 2k3m s ASP 57 Ca 0.00 0.04 -0.17 0.00 0.71 0.00 0.00 52.55 53.13 2k3m s ASP 57 Cb 0.00 -2.23 0.23 0.00 1.01 0.00 0.00 42.92 41.92 2k3m s ASP 57 CO 0.00 -0.35 1.33 0.26 0.21 0.00 0.00 175.17 176.63 2k3m s TRP 58 N 2.19 1.26 -0.19 4.23 0.51 -1.26 -5.05 118.94 120.63 2k3m s TRP 58 Ca 0.16 0.25 -0.15 0.00 -2.12 0.00 0.00 56.10 54.24 2k3m s TRP 58 Cb -0.16 -4.18 -0.09 0.00 -0.81 0.00 0.00 33.47 28.23 2k3m s TRP 58 CO 0.12 -2.91 -0.13 2.89 -0.51 0.00 0.00 176.95 176.41 2k3m n ARG 59 N -3.93 0.52 0.00 4.98 1.85 -1.26 -4.15 116.66 114.66 2k3m n ARG 59 Ca 0.16 0.45 0.07 0.00 -1.00 0.00 0.00 57.85 57.54 2k3m n ARG 59 Cb 0.59 -1.63 0.44 0.00 -1.05 0.00 0.00 32.46 30.81 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 -4.49 0.00 0.28 2.89 4.11 -1.26 -3.27 117.16 115.42 2k3m n TYR 60 Ca -0.22 0.00 0.18 0.00 -0.00 0.00 0.00 57.90 57.86 2k3m n TYR 60 Cb 0.51 0.00 0.92 0.00 -0.00 0.00 0.00 39.34 40.77 2k3m n TYR 60 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 2k3m h GLU 61 N 0.00 0.00 -0.46 -3.48 4.81 -1.98 -3.20 114.58 110.27 2k3m h GLU 61 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2k3m h GLU 61 Cb 0.00 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.28 2k3m h GLU 61 CO 0.00 0.00 -0.41 -0.39 -0.73 0.00 0.00 179.01 177.48 2k3m h VAL 62 N 0.00 0.12 0.12 0.32 -1.51 -1.85 3.19 116.25 116.64 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 0.07 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.36 2k3m h VAL 62 CO 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 177.57 176.28 2k3m h ALA 63 N 0.54 -0.16 0.73 5.19 0.00 -1.88 1.42 119.26 125.10 2k3m h ALA 63 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2k3m h ALA 63 Cb 0.57 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k3m h ALA 63 CO -0.60 -0.57 -0.47 1.25 0.00 0.00 0.00 179.25 178.86 2k3m h HIS 64 N -0.20 -1.26 0.23 0.00 6.17 -0.98 -3.10 115.15 116.00 2k3m h HIS 64 Ca -0.02 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.04 2k3m h HIS 64 Cb 0.16 0.45 0.00 0.00 2.52 0.00 0.00 27.41 30.55 2k3m h HIS 64 CO -0.06 -0.69 -0.11 0.22 0.71 0.00 0.00 177.93 178.00 2k3m h ASP 65 N -1.13 -0.27 0.00 3.26 3.58 0.57 -3.14 116.42 119.29 2k3m h ASP 65 Ca -0.10 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2k3m h ASP 65 Cb 0.91 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2k3m h ASP 65 CO 0.08 0.09 0.00 0.61 -2.88 0.00 0.00 179.24 177.15 2k3m n GLY 66 N -0.28 0.12 0.07 -0.78 0.00 0.49 -3.28 105.19 101.51 2k3m n GLY 66 Ca -0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 1.02 0.58 -0.53 1.61 1.74 -1.17 -3.99 116.66 115.91 2k3m n ARG 67 Ca 0.00 -0.13 0.43 0.00 -0.77 0.00 0.00 57.85 57.37 2k3m n ARG 67 Cb 0.02 -1.50 0.66 0.00 -1.02 0.00 0.00 32.46 30.62 2k3m n ARG 67 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k3m n LEU 68 N -1.09 0.00 0.22 0.55 -0.00 -1.21 0.36 117.00 115.83 2k3m n LEU 68 Ca 0.14 0.85 -0.09 0.00 -0.00 0.00 0.00 56.01 56.91 2k3m n LEU 68 Cb 0.26 -0.40 -0.04 0.00 -0.00 0.00 0.00 43.42 43.24 2k3m n LEU 68 CO 0.24 -0.85 0.37 0.17 -0.00 0.00 0.00 177.39 177.32 2k3m h LEU 69 N 0.00 -0.49 0.00 1.47 8.10 -1.91 -1.77 115.31 120.71 2k3m h LEU 69 Ca 0.75 0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.76 2k3m h LEU 69 Cb 3.25 0.13 0.00 0.00 -0.44 0.00 0.00 40.66 43.60 2k3m h LEU 69 CO -0.01 -0.26 0.00 0.00 -4.11 0.00 0.00 178.44 174.06 2k3m n ALA 70 N -2.42 -0.04 0.00 0.17 0.00 1.11 -3.51 120.51 115.81 2k3m n ALA 70 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k3m n ALA 70 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.50 0.76 0.00 0.00 0.00 0.66 -4.33 120.51 116.11 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 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.04 0.00 1.44 -0.67 0.28 115.22 115.85 2k3m n HIS 72 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 2k3m n HIS 72 Cb 0.00 -0.21 -0.12 0.00 0.12 0.00 0.00 29.99 29.77 2k3m n HIS 72 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k3m h MET 73 N 0.00 0.09 -0.95 -1.40 -0.00 -1.82 -3.33 114.93 107.52 2k3m h MET 73 Ca 0.00 -0.12 0.29 0.00 -0.00 0.00 0.00 59.70 59.87 2k3m h MET 73 Cb 0.00 0.04 -0.17 0.00 -0.00 0.00 0.00 31.60 31.47 2k3m h MET 73 CO 0.00 0.93 0.21 0.28 -0.00 0.00 0.00 176.91 178.33 2k3m h VAL 74 N -0.69 0.12 0.00 -0.10 2.07 0.38 0.87 116.25 118.89 2k3m h VAL 74 Ca -0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2k3m h VAL 74 Cb 1.00 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2k3m h VAL 74 CO 0.03 0.01 0.81 -3.20 0.02 0.00 0.00 177.57 175.24 2k3m n ASN 75 N -5.35 0.00 0.28 0.57 2.85 0.10 0.17 115.26 113.88 2k3m n ASN 75 Ca 0.26 0.39 0.13 0.00 -0.11 0.00 0.00 54.58 55.24 2k3m n ASN 75 Cb 0.84 0.00 0.57 0.00 1.24 0.00 0.00 39.78 42.44 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2k3m h GLY 76 N 0.00 0.00 -0.26 8.20 0.00 0.52 -1.99 103.07 109.54 2k3m h GLY 76 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 2k3m h GLY 76 CO 0.00 0.00 -0.17 0.16 0.00 0.00 0.00 176.54 176.53 2k3m h ILE 77 N 0.00 0.36 -0.10 2.60 3.07 0.15 0.25 117.51 123.84 2k3m h ILE 77 Ca 0.05 0.00 0.03 0.00 1.55 0.00 0.00 64.86 66.49 2k3m h ILE 77 Cb 1.19 0.36 -0.00 0.00 -0.27 0.00 0.00 36.82 38.10 2k3m h ILE 77 CO -0.00 0.00 0.27 1.62 -1.05 0.00 0.00 178.15 178.99 2k3m h VAL 78 N -0.02 0.16 0.09 0.16 3.04 -1.63 0.74 116.25 118.79 2k3m h VAL 78 Ca 0.29 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.80 2k3m h VAL 78 Cb 0.47 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2k3m h VAL 78 CO -0.64 0.00 -0.93 0.16 -1.01 0.00 0.00 177.57 175.15 2k3m h ILE 79 N 0.00 1.32 0.00 3.17 3.07 -0.71 -2.88 117.51 121.48 2k3m h ILE 79 Ca 0.05 -2.41 -0.03 0.00 1.55 0.00 0.00 64.86 64.02 2k3m h ILE 79 Cb 0.58 2.94 -0.00 0.00 -0.27 0.00 0.00 36.82 40.07 2k3m h ILE 79 CO -0.00 0.64 -0.16 0.00 -1.05 0.00 0.00 178.15 177.58 2k3m h ALA 80 N -0.05 0.93 0.00 0.16 0.00 -0.70 -2.70 119.26 116.88 2k3m h ALA 80 Ca -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2k3m h ALA 80 Cb 1.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2k3m h ALA 80 CO 0.04 0.20 -0.01 0.93 0.00 0.00 0.00 179.25 180.41 2k3m h GLU 81 N 0.00 0.00 0.91 0.00 3.07 0.29 -3.42 114.58 115.43 2k3m h GLU 81 Ca -0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 2k3m h GLU 81 Cb 0.97 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.89 2k3m h GLU 81 CO 0.02 0.00 -0.44 -0.44 -1.40 0.00 0.00 179.01 176.75 2k3m h ASP 82 N -0.08 -1.03 0.00 1.42 3.32 -1.67 -3.32 116.42 115.07 2k3m h ASP 82 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2k3m h ASP 82 Cb 0.01 0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2k3m h ASP 82 CO 0.00 -0.73 0.00 0.00 -1.72 0.00 0.00 179.24 176.79 2k3m n ALA 83 N -2.62 0.00 -0.09 3.45 0.00 -1.02 -0.01 120.51 120.21 2k3m n ALA 83 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.31 2k3m n ALA 83 Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 -0.09 -0.13 0.00 7.99 -1.25 0.35 117.00 123.87 2k3m n LEU 84 Ca 0.00 0.44 -0.27 0.00 -0.01 0.00 0.00 56.01 56.18 2k3m n LEU 84 Cb 0.00 -0.13 -0.10 0.00 -0.11 0.00 0.00 43.42 43.08 2k3m n LEU 84 CO 0.00 -0.43 -1.23 0.00 -1.51 0.00 0.00 177.39 174.22 2k3m n ILE 85 N -4.41 1.53 -0.21 -0.08 3.06 0.98 -4.50 119.36 115.73 2k3m n ILE 85 Ca 0.04 -0.28 0.02 0.00 -2.50 0.00 0.00 62.75 60.03 2k3m n ILE 85 Cb 0.13 -1.95 0.13 0.00 0.54 0.00 0.00 39.64 38.48 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2k3m h ALA 86 N -0.92 0.74 0.00 1.51 0.00 -0.55 0.61 119.26 120.65 2k3m h ALA 86 Ca -0.58 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2k3m h ALA 86 Cb 1.50 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2k3m h ALA 86 CO -0.35 -0.34 0.56 1.49 0.00 0.00 0.00 179.25 180.61 2k3m h GLU 87 N 0.22 0.00 0.00 0.00 4.57 0.58 1.10 114.58 121.05 2k3m h GLU 87 Ca 0.34 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 2k3m h GLU 87 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2k3m h GLU 87 CO -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.36 2k3m n ALA 88 N -1.63 2.28 0.00 2.92 0.00 0.21 -4.18 120.51 120.10 2k3m n ALA 88 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k3m n ALA 88 Cb 0.59 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2k3m n ALA 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2k3m n VAL 89 N -0.69 0.00 -0.25 0.00 0.24 0.38 -4.03 118.33 113.98 2k3m n VAL 89 Ca 0.07 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.40 2k3m n VAL 89 Cb 0.03 -0.21 0.08 0.00 -1.47 0.00 0.00 33.84 32.28 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 0.04 -1.18 0.00 7.63 0.00 -1.26 0.51 105.19 110.92 2k3m n GLY 90 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2k3m n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k3m n PRO 91 N -5.09 0.00 -0.34 1.61 -0.02 -1.26 -2.95 135.00 126.94 2k3m n PRO 91 Ca 0.10 0.00 0.24 0.00 -2.02 0.00 0.00 63.50 61.83 2k3m n PRO 91 Cb 0.33 -1.48 0.51 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.70 -0.70 6.00 -0.00 1.17 1.65 115.15 123.98 2k3m h HIS 92 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 2k3m h HIS 92 Cb 0.00 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.18 2k3m h HIS 92 CO 0.00 0.00 0.35 1.37 -0.00 0.00 0.00 177.93 179.66 2k3m h LEU 93 N 0.37 0.88 0.68 0.26 8.10 -1.76 1.63 115.31 125.46 2k3m h LEU 93 Ca 0.65 -0.09 -0.03 0.00 0.11 0.00 0.00 57.88 58.52 2k3m h LEU 93 Cb 1.64 -0.23 0.01 0.00 -0.44 0.00 0.00 40.66 41.64 2k3m h LEU 93 CO -0.36 0.74 -0.32 0.00 -4.11 0.00 0.00 178.44 174.38 2k3m h ALA 94 N 1.40 -1.12 -0.04 0.17 0.00 0.21 0.11 119.26 120.00 2k3m h ALA 94 Ca 0.24 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2k3m h ALA 94 Cb 0.07 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k3m h ALA 94 CO -0.03 -1.05 0.03 0.00 0.00 0.00 0.00 179.25 178.20 2k3m h ARG 95 N -1.00 0.00 0.36 0.00 2.47 -1.22 -1.14 114.38 113.85 2k3m h ARG 95 Ca -0.09 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 2k3m h ARG 95 Cb 0.70 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.01 2k3m h ARG 95 CO 0.15 0.00 -0.19 0.00 0.56 0.00 0.00 179.97 180.49 2k3m h ALA 96 N 1.97 -0.51 -1.59 0.04 0.00 0.29 0.25 119.26 119.71 2k3m h ALA 96 Ca 0.02 -0.11 0.48 0.00 0.00 0.00 0.00 54.91 55.31 2k3m h ALA 96 Cb 0.09 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 2k3m h ALA 96 CO -0.00 -0.79 1.11 -0.11 0.00 0.00 0.00 179.25 179.45 2k3m n LEU 97 N -5.32 0.07 -0.07 0.00 7.94 0.35 0.61 117.00 120.58 2k3m n LEU 97 Ca -0.10 1.02 -0.12 0.00 -1.11 0.00 0.00 56.01 55.70 2k3m n LEU 97 Cb 0.23 -0.50 -0.09 0.00 0.53 0.00 0.00 43.42 43.58 2k3m n LEU 97 CO 0.35 -1.06 0.12 1.23 -1.11 0.00 0.00 177.39 176.92 2k3m h GLY 98 N 0.00 0.00 0.04 -3.96 0.00 -0.87 -3.26 103.07 95.03 2k3m h GLY 98 Ca 0.83 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.16 2k3m h GLY 98 CO -0.16 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.32 2k3m n GLN 99 N -4.62 0.89 0.29 4.80 1.13 0.50 -3.77 117.38 116.60 2k3m n GLN 99 Ca -0.11 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.78 2k3m n GLN 99 Cb 0.40 -1.02 -0.08 0.00 0.11 0.00 0.00 30.24 29.64 2k3m n GLN 99 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 2k3m h ILE 100 N 0.00 0.48 0.77 5.09 2.10 1.77 0.24 117.51 127.96 2k3m h ILE 100 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 2k3m h ILE 100 Cb 0.00 0.48 -0.00 0.00 -1.09 0.00 0.00 36.82 36.21 2k3m h ILE 100 CO 0.00 0.00 -0.44 1.62 -1.08 0.00 0.00 178.15 178.25 2k3m h VAL 101 N -0.69 0.11 -0.95 2.19 3.04 -1.80 1.09 116.25 119.24 2k3m h VAL 101 Ca -0.07 0.00 0.27 0.00 -1.01 0.00 0.00 66.70 65.90 2k3m h VAL 101 Cb 0.54 0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 29.89 2k3m h VAL 101 CO 0.10 0.00 0.93 0.00 -1.01 0.00 0.00 177.57 177.59 2k3m h ARG 103 N 0.00 0.25 -0.78 0.00 1.12 0.11 -3.06 114.38 112.03 2k3m h ARG 103 Ca 0.45 -0.43 -0.12 0.00 -1.11 0.00 0.00 59.98 58.77 2k3m h ARG 103 Cb 2.30 0.16 -0.07 0.00 -0.01 0.00 0.00 29.97 32.35 2k3m h ARG 103 CO -0.00 1.21 0.15 0.98 -3.11 0.00 0.00 179.97 179.19 2k3m n TYR 104 N -3.70 1.83 0.00 2.20 9.36 0.36 -4.76 117.16 122.45 2k3m n TYR 104 Ca -0.29 -0.85 0.00 0.00 3.32 0.00 0.00 57.90 60.08 2k3m n TYR 104 Cb 0.98 -0.53 0.00 0.00 -0.63 0.00 0.00 39.34 39.16 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k3m n GLY 105 N 0.11 -1.49 2.79 2.98 0.00 0.71 -4.89 105.19 105.41 2k3m n GLY 105 Ca 0.29 0.57 -0.04 0.00 0.00 0.00 0.00 46.02 46.84 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 -2.23 -2.22 0.52 4.61 0.00 -1.14 -4.96 120.51 115.09 2k3m n ALA 106 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.53 2k3m n ALA 106 Cb 0.00 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.01 2k3m n ALA 106 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2k3m n THR 107 N -2.04 0.00 -0.04 0.00 5.66 -1.26 -4.60 114.28 112.01 2k3m n THR 107 Ca -0.02 -0.24 -0.01 0.00 -3.05 0.00 0.00 64.05 60.73 2k3m n THR 107 Cb 0.53 1.00 -0.00 0.00 -1.55 0.00 0.00 70.33 70.31 2k3m n THR 107 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 2k3m h VAL 108 N 0.02 0.00 -0.82 1.08 -1.51 -1.98 -3.38 116.25 109.66 2k3m h VAL 108 Ca 0.00 -0.72 0.13 0.00 -1.23 0.00 0.00 66.70 64.89 2k3m h VAL 108 Cb 0.26 0.00 -0.06 0.00 -2.13 0.00 0.00 31.29 29.36 2k3m h VAL 108 CO 0.00 0.00 0.54 0.16 -1.23 0.00 0.00 177.57 177.04 2k3m h ILE 109 N -0.72 0.84 -1.32 7.19 3.07 -2.01 -2.82 117.51 121.75 2k3m h ILE 109 Ca 0.00 -0.21 0.38 0.00 1.55 0.00 0.00 64.86 66.59 2k3m h ILE 109 Cb 0.09 0.19 -0.08 0.00 -0.27 0.00 0.00 36.82 36.76 2k3m h ILE 109 CO 0.00 0.11 0.91 -0.65 -1.05 0.00 0.00 178.15 177.47 2k3m h PRO 110 N 0.60 0.10 0.13 0.16 0.11 -1.81 1.41 132.00 132.69 2k3m h PRO 110 Ca 0.40 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 2k3m h PRO 110 Cb 0.71 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2k3m h PRO 110 CO -0.16 0.06 -0.06 -2.95 -0.21 0.00 0.00 178.00 174.68 2k3m h ASN 111 N 0.10 -0.15 1.12 -2.05 -1.07 -1.72 -2.89 115.58 108.91 2k3m h ASN 111 Ca 0.68 0.01 -0.07 0.00 0.07 0.00 0.00 56.30 56.98 2k3m h ASN 111 Cb 2.42 0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 38.70 2k3m h ASN 111 CO -0.15 -0.10 -0.35 0.40 0.07 0.00 0.00 177.43 177.30 2k3m h ILE 112 N -0.18 0.73 0.12 6.14 1.08 -1.59 -3.16 117.51 120.65 2k3m h ILE 112 Ca -0.02 -1.59 0.02 0.00 -0.39 0.00 0.00 64.86 62.88 2k3m h ILE 112 Cb 0.13 2.03 -0.05 0.00 -3.07 0.00 0.00 36.82 35.87 2k3m h ILE 112 CO 0.03 0.35 -0.48 -1.13 -0.69 0.00 0.00 178.15 176.22 2k3m h ASN 113 N 0.00 -1.45 0.59 1.72 -1.24 0.19 0.42 115.58 115.82 2k3m h ASN 113 Ca -0.00 0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.16 2k3m h ASN 113 Cb 1.01 0.54 0.00 0.00 0.73 0.00 0.00 38.32 40.59 2k3m h ASN 113 CO 0.05 -0.53 0.00 0.00 -1.29 0.00 0.00 177.43 175.65 2k3m h ALA 114 N -0.37 1.00 0.22 1.57 0.00 -1.56 -0.16 119.26 119.97 2k3m h ALA 114 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k3m h ALA 114 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k3m h ALA 114 CO -0.27 0.00 -0.11 0.00 0.00 0.00 0.00 179.25 178.87 2k3m h ALA 115 N 2.02 -0.32 -0.47 0.00 0.00 -0.64 -3.20 119.26 116.64 2k3m h ALA 115 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2k3m h ALA 115 Cb 0.30 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k3m h ALA 115 CO 0.00 -0.30 -0.17 0.97 0.00 0.00 0.00 179.25 179.75 2k3m h ILE 116 N -0.98 1.27 -0.06 0.00 2.10 -0.27 -3.27 117.51 116.29 2k3m h ILE 116 Ca -0.03 -1.31 0.01 0.00 1.08 0.00 0.00 64.86 64.61 2k3m h ILE 116 Cb 0.23 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 37.03 2k3m h ILE 116 CO 0.05 0.45 -0.11 -0.08 -1.08 0.00 0.00 178.15 177.38 2k3m h GLU 117 N 0.81 -0.09 0.00 2.19 4.22 -1.17 0.59 114.58 121.13 2k3m h GLU 117 Ca 0.12 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.56 2k3m h GLU 117 Cb 0.72 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2k3m h GLU 117 CO 0.06 -0.06 0.45 0.28 -2.18 0.00 0.00 179.01 177.55 2k3m n VAL 118 N -3.20 0.44 0.03 0.32 0.31 -1.21 -0.80 118.33 114.22 2k3m n VAL 118 Ca -0.01 0.70 -0.02 0.00 -0.01 0.00 0.00 64.34 65.00 2k3m n VAL 118 Cb 0.07 -1.70 -0.01 0.00 -0.91 0.00 0.00 33.84 31.29 2k3m n VAL 118 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2k3m h LEU 119 N 0.00 -0.14 0.00 7.52 5.85 0.13 -3.43 115.31 125.24 2k3m h LEU 119 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k3m h LEU 119 Cb 0.89 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2k3m h LEU 119 CO 0.00 0.26 0.00 0.61 -0.34 0.00 0.00 178.44 178.97 2k3m n GLY 120 N 1.34 0.24 0.00 3.75 0.00 0.02 -4.96 105.19 105.57 2k3m n GLY 120 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2k3m n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 121 N -0.44 0.00 0.00 2.61 5.66 -1.13 -5.05 114.28 115.93 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2k3m n THR 121 Cb 0.00 0.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k3m n GLY 122 N 0.00 2.92 1.82 1.09 0.00 -1.21 -4.91 105.19 104.90 2k3m n GLY 122 Ca 0.00 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.82 2.61 -1.04 -1.26 -4.87 114.28 105.89 2k3m n THR 123 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2k3m n THR 123 Cb 0.00 -0.27 -0.13 0.00 -1.82 0.00 0.00 70.33 68.12 2k3m n THR 123 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2k3m s ASP 124 N 4.34 -0.14 -0.02 8.00 -4.77 -1.26 -5.16 116.67 117.67 2k3m s ASP 124 Ca 0.70 0.27 -0.21 0.00 -3.30 0.00 0.00 52.55 50.01 2k3m s ASP 124 Cb -0.70 0.27 0.04 0.00 -1.09 0.00 0.00 42.92 41.44 2k3m s ASP 124 CO 0.28 -0.05 0.46 -0.47 0.70 0.00 0.00 175.17 176.10 2k3m s TYR 125 N 0.10 -0.37 0.07 2.11 6.14 -1.26 -5.18 117.35 118.97 2k3m s TYR 125 Ca -0.00 0.58 -0.16 0.00 0.64 0.00 0.00 57.07 58.13 2k3m s TYR 125 Cb -0.01 0.23 0.03 0.00 0.42 0.00 0.00 41.96 42.63 2k3m s TYR 125 CO 0.00 -0.50 0.36 1.03 0.64 0.00 0.00 175.55 177.09 2k3m s ARG 126 N -1.45 0.94 0.00 4.97 1.81 -1.26 -5.25 118.95 118.71 2k3m s ARG 126 Ca -0.11 -0.56 0.00 0.00 -1.72 0.00 0.00 55.73 53.34 2k3m s ARG 126 Cb -0.03 0.41 0.00 0.00 -0.45 0.00 0.00 34.95 34.88 2k3m s ARG 126 CO 0.05 -0.33 0.00 1.97 -0.68 0.00 0.00 175.30 176.31