#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 3.10 0.00 7.83 7.64 -1.26 -4.87 113.62 126.06 2k3m n SER 2 Ca 0.00 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.93 2k3m n SER 2 Cb 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2k3m n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k3m n ASP 3 N 0.84 0.00 -3.75 6.43 8.00 -1.26 -5.18 116.55 121.63 2k3m n ASP 3 Ca 0.14 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 2k3m n ASP 3 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.47 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2k3m s PHE 4 N 0.00 -0.31 -0.04 1.24 5.36 -1.26 -5.17 117.98 117.80 2k3m s PHE 4 Ca 0.00 0.68 -0.20 0.00 -0.96 0.00 0.00 56.93 56.45 2k3m s PHE 4 Cb 0.00 0.13 0.04 0.00 -0.34 0.00 0.00 43.02 42.85 2k3m s PHE 4 CO 0.00 -0.29 0.44 -0.51 -1.46 0.00 0.00 175.22 173.40 2k3m s ASP 5 N -0.49 -0.36 1.14 6.13 1.01 -1.26 -5.06 116.67 117.77 2k3m s ASP 5 Ca -0.06 0.35 -0.17 0.00 0.71 0.00 0.00 52.55 53.38 2k3m s ASP 5 Cb -0.04 0.43 0.26 0.00 1.01 0.00 0.00 42.92 44.58 2k3m s ASP 5 CO 0.02 -0.48 1.09 -0.89 0.21 0.00 0.00 175.17 175.13 2k3m s THR 6 N -1.17 1.75 0.06 -1.27 2.01 -1.26 -4.40 115.64 111.36 2k3m s THR 6 Ca -0.12 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 2k3m s THR 6 Cb -0.03 -2.45 -0.18 0.00 0.01 0.00 0.00 72.50 69.84 2k3m s THR 6 CO 0.06 0.00 1.54 -0.08 -0.69 0.00 0.00 174.62 175.45 2k3m h GLU 7 N -2.38 -0.68 0.01 4.92 4.81 -2.01 4.03 114.58 123.28 2k3m h GLU 7 Ca -0.50 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 2k3m h GLU 7 Cb 1.31 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.79 2k3m h GLU 7 CO 0.44 -0.42 -0.44 -0.09 -0.73 0.00 0.00 179.01 177.77 2k3m h ARG 8 N -0.78 -0.58 -0.19 1.92 2.43 -1.96 2.80 114.38 118.03 2k3m h ARG 8 Ca -0.07 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2k3m h ARG 8 Cb 0.58 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2k3m h ARG 8 CO 0.12 -0.39 0.00 -0.39 -1.51 0.00 0.00 179.97 177.80 2k3m h VAL 9 N -0.60 1.25 0.79 0.20 -1.51 -1.91 1.37 116.25 115.84 2k3m h VAL 9 Ca 0.04 -0.85 -0.04 0.00 -1.23 0.00 0.00 66.70 64.62 2k3m h VAL 9 Cb 0.67 1.45 0.01 0.00 -2.13 0.00 0.00 31.29 31.29 2k3m h VAL 9 CO -0.32 0.26 -0.38 -1.28 -1.23 0.00 0.00 177.57 174.62 2k3m h SER 10 N 0.08 -0.90 0.36 4.19 0.87 0.82 -1.26 113.55 117.71 2k3m h SER 10 Ca 0.05 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2k3m h SER 10 Cb 0.38 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2k3m h SER 10 CO 0.01 -0.56 -0.17 -0.09 -0.53 0.00 0.00 176.83 175.48 2k3m h ARG 11 N -1.21 -0.46 -0.36 2.24 2.43 0.49 0.66 114.38 118.18 2k3m h ARG 11 Ca -0.11 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.17 2k3m h ARG 11 Cb 0.83 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.40 2k3m h ARG 11 CO 0.18 -0.16 -0.27 0.00 -1.51 0.00 0.00 179.97 178.21 2k3m h ALA 12 N -0.29 -0.08 -0.26 2.80 0.00 0.19 2.55 119.26 124.16 2k3m h ALA 12 Ca -0.05 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k3m h ALA 12 Cb 0.52 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2k3m h ALA 12 CO 0.08 -0.66 0.16 -0.39 0.00 0.00 0.00 179.25 178.44 2k3m h VAL 13 N -0.22 1.09 0.51 0.00 -1.51 -1.26 1.38 116.25 116.24 2k3m h VAL 13 Ca 0.17 -0.19 -0.02 0.00 -1.23 0.00 0.00 66.70 65.43 2k3m h VAL 13 Cb 0.49 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 30.39 2k3m h VAL 13 CO -0.48 0.08 -0.40 0.00 -1.23 0.00 0.00 177.57 175.54 2k3m h ALA 14 N 1.07 -1.13 0.16 5.19 0.00 0.45 3.54 119.26 128.53 2k3m h ALA 14 Ca 0.09 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k3m h ALA 14 Cb -0.00 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2k3m h ALA 14 CO -0.02 -1.13 -0.35 0.00 0.00 0.00 0.00 179.25 177.75 2k3m h ALA 15 N -1.19 -0.63 0.54 0.00 0.00 0.44 2.18 119.26 120.59 2k3m h ALA 15 Ca -0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2k3m h ALA 15 Cb 0.73 0.57 0.01 0.00 0.00 0.00 0.00 17.79 19.10 2k3m h ALA 15 CO 0.01 -0.91 -0.26 0.00 0.00 0.00 0.00 179.25 178.09 2k3m h ALA 16 N -0.03 -0.73 0.07 0.00 0.00 0.19 3.35 119.26 122.12 2k3m h ALA 16 Ca 0.02 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2k3m h ALA 16 Cb 0.62 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2k3m h ALA 16 CO -0.18 -0.85 -0.15 1.25 0.00 0.00 0.00 179.25 179.31 2k3m h LEU 17 N -0.84 -0.42 0.43 0.00 6.46 0.68 -0.35 115.31 121.27 2k3m h LEU 17 Ca -0.07 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 2k3m h LEU 17 Cb 0.60 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 2k3m h LEU 17 CO 0.12 -0.22 -0.21 -0.37 -0.62 0.00 0.00 178.44 177.15 2k3m h VAL 18 N -0.29 0.29 -2.13 1.05 -1.51 0.36 -3.40 116.25 110.64 2k3m h VAL 18 Ca 0.03 -0.60 -0.21 0.00 -1.23 0.00 0.00 66.70 64.69 2k3m h VAL 18 Cb 0.31 0.45 0.13 0.00 -2.13 0.00 0.00 31.29 30.05 2k3m h VAL 18 CO -0.09 0.06 -0.10 0.61 -1.23 0.00 0.00 177.57 176.81 2k3m n GLY 19 N -0.03 -3.85 0.10 5.19 0.00 1.11 -4.93 105.19 102.79 2k3m n GLY 19 Ca -0.09 -1.26 -0.01 0.00 0.00 0.00 0.00 46.02 44.66 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 0.79 1.61 0.13 -1.76 -3.34 132.00 129.43 2k3m h PRO 20 Ca -0.23 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.86 2k3m h PRO 20 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2k3m h PRO 20 CO 0.14 0.56 -0.43 0.78 -0.23 0.00 0.00 178.00 178.82 2k3m h GLY 21 N 3.44 -1.21 0.60 1.56 0.00 -1.84 2.95 103.07 108.57 2k3m h GLY 21 Ca -0.07 0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.76 2k3m h GLY 21 CO 0.08 -0.43 -0.12 -1.33 0.00 0.00 0.00 176.54 174.73 2k3m h GLY 22 N -1.13 -0.09 1.77 4.60 0.00 -1.27 0.59 103.07 107.54 2k3m h GLY 22 Ca -0.11 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.39 2k3m h GLY 22 CO 0.14 -0.13 0.13 -2.08 0.00 0.00 0.00 176.54 174.60 2k3m h VAL 23 N -0.17 1.02 0.58 4.60 2.07 -1.25 -1.48 116.25 121.60 2k3m h VAL 23 Ca 0.07 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2k3m h VAL 23 Cb 0.27 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2k3m h VAL 23 CO -0.18 0.04 -0.34 0.00 0.02 0.00 0.00 177.57 177.11 2k3m h ALA 24 N 1.89 -1.18 -0.48 1.67 0.00 1.09 0.10 119.26 122.36 2k3m h ALA 24 Ca 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2k3m h ALA 24 Cb 0.05 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2k3m h ALA 24 CO -0.01 -1.14 0.12 1.37 0.00 0.00 0.00 179.25 179.59 2k3m h LEU 25 N -0.86 0.72 0.94 0.00 -0.00 -1.18 -0.20 115.31 114.74 2k3m h LEU 25 Ca -0.08 -0.23 -0.05 0.00 -0.00 0.00 0.00 57.88 57.53 2k3m h LEU 25 Cb 0.68 -0.19 0.01 0.00 -0.00 0.00 0.00 40.66 41.16 2k3m h LEU 25 CO 0.08 0.77 -0.47 0.58 -0.00 0.00 0.00 178.44 179.40 2k3m h VAL 26 N 0.65 0.04 -0.54 0.15 2.07 -1.27 0.41 116.25 117.75 2k3m h VAL 26 Ca 0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.70 2k3m h VAL 26 Cb 0.32 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2k3m h VAL 26 CO 0.00 0.00 0.36 1.62 0.02 0.00 0.00 177.57 179.57 2k3m h VAL 27 N -1.29 1.06 0.38 2.57 3.04 -0.81 0.49 116.25 121.70 2k3m h VAL 27 Ca -0.13 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 65.33 2k3m h VAL 27 Cb 1.00 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2k3m h VAL 27 CO 0.20 0.11 -0.18 0.50 -1.01 0.00 0.00 177.57 177.19 2k3m h LYS 28 N 0.61 -0.50 -0.19 4.17 3.64 -0.73 0.44 116.57 124.02 2k3m h LYS 28 Ca 0.22 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2k3m h LYS 28 Cb 0.10 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2k3m h LYS 28 CO -0.06 -0.18 0.09 0.28 -2.27 0.00 0.00 179.45 177.31 2k3m h VAL 29 N -0.87 1.13 0.48 2.00 2.07 0.11 0.49 116.25 121.66 2k3m h VAL 29 Ca -0.05 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2k3m h VAL 29 Cb 0.54 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2k3m h VAL 29 CO 0.09 0.12 -0.23 0.00 0.02 0.00 0.00 177.57 177.57 2k3m h ALA 31 N -1.43 -0.22 -2.30 0.00 0.00 -0.17 -3.49 119.26 111.66 2k3m h ALA 31 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k3m h ALA 31 Cb 0.49 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k3m h ALA 31 CO 0.11 -0.61 0.00 0.41 0.00 0.00 0.00 179.25 179.15 2k3m n GLY 32 N -1.14 -0.20 0.95 0.00 0.00 0.17 -4.96 105.19 100.00 2k3m n GLY 32 Ca -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2k3m n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3m n LEU 33 N -0.57 -1.28 0.11 0.99 4.32 -1.25 -4.91 117.00 114.41 2k3m n LEU 33 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.96 2k3m n LEU 33 Cb 0.19 -0.64 0.17 0.00 -1.62 0.00 0.00 43.42 41.52 2k3m n LEU 33 CO 0.00 0.00 0.52 1.55 -1.22 0.00 0.00 177.39 178.24 2k3m h PRO 34 N 0.00 0.13 0.72 3.23 0.13 -1.91 -3.32 132.00 130.99 2k3m h PRO 34 Ca 0.00 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 2k3m h PRO 34 Cb 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 2k3m h PRO 34 CO 0.00 0.67 -0.45 0.78 -0.23 0.00 0.00 178.00 178.77 2k3m h GLY 35 N 1.55 -1.22 -2.15 1.56 0.00 -1.94 -3.42 103.07 97.45 2k3m h GLY 35 Ca -0.00 0.50 -0.45 0.00 0.00 0.00 0.00 47.33 47.38 2k3m h GLY 35 CO 0.08 -0.42 -0.09 0.54 0.00 0.00 0.00 176.54 176.66 2k3m s VAL 36 N -5.97 3.66 0.00 4.60 0.11 -1.25 -5.02 120.40 116.53 2k3m s VAL 36 Ca -0.19 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 2k3m s VAL 36 Cb 0.03 -3.35 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 2k3m s VAL 36 CO 0.61 -0.25 0.00 0.00 -3.33 0.00 0.00 175.10 172.13 2k3m n ILE 37 N -2.13 0.00 -3.80 7.04 0.13 -1.26 -4.75 119.36 114.58 2k3m n ILE 37 Ca 0.03 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.55 2k3m n ILE 37 Cb 0.58 0.00 -0.14 0.00 -0.84 0.00 0.00 39.64 39.25 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 0.00 -0.14 -0.31 9.51 3.76 -1.26 -5.07 115.29 121.77 2k3m s HIS 38 Ca 0.00 0.38 -0.05 0.00 -0.15 0.00 0.00 55.06 55.25 2k3m s HIS 38 Cb 0.00 -0.01 0.04 0.00 1.11 0.00 0.00 32.58 33.71 2k3m s HIS 38 CO 0.00 -0.11 0.05 0.99 -0.85 0.00 0.00 174.74 174.83 2k3m s THR 39 N 0.53 3.48 0.00 1.30 2.01 -1.26 -5.06 115.64 116.65 2k3m s THR 39 Ca -0.04 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 60.83 2k3m s THR 39 Cb -0.05 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.52 2k3m s THR 39 CO -0.02 -0.08 0.21 -2.65 -0.69 0.00 0.00 174.62 171.38 2k3m n PRO 40 N 4.75 0.00 -2.02 4.92 -0.02 -1.26 -4.42 135.00 136.95 2k3m n PRO 40 Ca -0.13 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 2k3m n PRO 40 Cb 0.45 -0.71 -0.03 0.00 -0.02 0.00 0.00 33.50 33.19 2k3m n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3m s ALA 41 N -2.85 3.62 0.03 3.55 0.00 -1.26 -4.94 121.76 119.92 2k3m s ALA 41 Ca 0.00 0.92 -0.28 0.00 0.00 0.00 0.00 51.96 52.61 2k3m s ALA 41 Cb 0.00 -3.74 0.10 0.00 0.00 0.00 0.00 23.12 19.48 2k3m s ALA 41 CO 0.00 -1.38 1.22 -0.98 0.00 0.00 0.00 175.76 174.62 2k3m s ARG 42 N 3.97 0.62 0.21 0.00 1.70 -1.26 -5.01 118.95 119.18 2k3m s ARG 42 Ca 0.73 -0.38 -0.09 0.00 -0.47 0.00 0.00 55.73 55.52 2k3m s ARG 42 Cb -0.33 0.18 0.24 0.00 -0.57 0.00 0.00 34.95 34.47 2k3m s ARG 42 CO 0.29 -0.29 1.83 -0.09 -1.08 0.00 0.00 175.30 175.96 2k3m h ARG 43 N 2.00 0.78 0.00 3.89 9.65 -1.95 -3.46 114.38 125.28 2k3m h ARG 43 Ca -0.26 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 2k3m h ARG 43 Cb 1.20 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 2k3m h ARG 43 CO 0.31 0.51 0.00 0.41 2.80 0.00 0.00 179.97 184.00 2k3m n GLY 44 N -1.30 1.88 3.26 2.80 0.00 -1.26 -5.08 105.19 105.49 2k3m n GLY 44 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.71 -0.14 0.00 1.61 0.40 -1.26 -5.11 117.98 111.77 2k3m s PHE 45 Ca 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 2k3m s PHE 45 Cb 0.00 0.11 0.00 0.00 0.51 0.00 0.00 43.02 43.64 2k3m s PHE 45 CO 0.00 -0.49 0.00 1.19 0.70 0.00 0.00 175.22 176.62 2k3m n PHE 46 N 0.71 0.00 0.00 0.36 3.72 -1.26 -5.13 117.46 115.86 2k3m n PHE 46 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2k3m n PHE 46 Cb 0.59 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 2k3m n PHE 46 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2k3m n ARG 47 N 0.00 0.00 -2.44 -1.08 3.00 -1.26 -5.09 116.66 109.79 2k3m n ARG 47 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k3m s ASN 49 N -2.57 0.71 -0.17 0.00 0.01 -1.26 -5.04 114.94 106.62 2k3m s ASN 49 Ca 0.01 -0.08 -0.10 0.00 -0.71 0.00 0.00 52.86 51.99 2k3m s ASN 49 Cb -0.00 -0.33 -0.11 0.00 0.41 0.00 0.00 41.25 41.22 2k3m s ASN 49 CO 0.46 -0.08 1.10 -2.65 -1.51 0.00 0.00 177.10 174.42 2k3m n PRO 50 N 4.13 0.01 -0.78 -0.60 -0.02 -1.26 -3.09 135.00 133.40 2k3m n PRO 50 Ca -0.25 -0.45 -0.04 0.00 -2.02 0.00 0.00 63.50 60.74 2k3m n PRO 50 Cb 0.51 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 32.24 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 5.34 -1.67 -4.37 -0.52 -0.58 -1.26 -4.87 120.64 112.71 2k3m n GLU 51 Ca 0.15 0.35 -0.24 0.00 -0.42 0.00 0.00 57.16 57.00 2k3m n GLU 51 Cb 0.39 -4.06 -0.09 0.00 -0.57 0.00 0.00 31.44 27.11 2k3m n GLU 51 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2k3m s ARG 52 N -1.66 2.02 0.23 3.49 1.70 -1.18 -4.92 118.95 118.62 2k3m s ARG 52 Ca 0.00 -1.67 -0.30 0.00 -0.47 0.00 0.00 55.73 53.29 2k3m s ARG 52 Cb 0.00 -1.94 -0.09 0.00 -0.57 0.00 0.00 34.95 32.35 2k3m s ARG 52 CO 0.00 0.25 1.23 -1.50 -1.08 0.00 0.00 175.30 174.20 2k3m s ILE 53 N -2.47 3.32 -1.03 4.99 2.07 -1.26 -4.63 121.20 122.19 2k3m s ILE 53 Ca 0.32 1.17 -0.23 0.00 -1.41 0.00 0.00 60.65 60.50 2k3m s ILE 53 Cb -0.03 -3.75 -0.00 0.00 0.13 0.00 0.00 42.46 38.81 2k3m s ILE 53 CO 0.18 0.22 1.73 -1.58 -1.91 0.00 0.00 174.94 173.58 2k3m s GLN 54 N -0.67 3.12 0.06 3.50 -0.44 -1.26 -4.91 119.66 119.06 2k3m s GLN 54 Ca 0.52 -0.92 -0.08 0.00 -2.50 0.00 0.00 55.36 52.37 2k3m s GLN 54 Cb -0.35 -5.26 -0.00 0.00 -1.64 0.00 0.00 33.01 25.76 2k3m s GLN 54 CO 0.40 -2.87 0.17 0.42 0.50 0.00 0.00 175.29 173.91 2k3m s ILE 55 N 7.53 0.13 0.00 -2.34 -1.09 -1.26 -4.88 121.20 119.29 2k3m s ILE 55 Ca 0.59 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 2k3m s ILE 55 Cb -0.02 -1.09 0.00 0.00 -1.58 0.00 0.00 42.46 39.77 2k3m s ILE 55 CO -0.02 -0.59 0.00 0.61 -1.23 0.00 0.00 174.94 173.71 2k3m n GLY 56 N 0.40 0.77 3.50 6.18 0.00 -1.26 -5.06 105.19 109.73 2k3m n GLY 56 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2k3m n GLY 56 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k3m s ASP 57 N -1.55 6.30 0.66 1.61 -4.77 -1.26 -5.03 116.67 112.63 2k3m s ASP 57 Ca 0.00 -0.50 -0.03 0.00 -3.30 0.00 0.00 52.55 48.72 2k3m s ASP 57 Cb 0.00 -2.42 0.07 0.00 -1.09 0.00 0.00 42.92 39.48 2k3m s ASP 57 CO 0.00 -1.22 0.94 0.26 0.70 0.00 0.00 175.17 175.85 2k3m s TRP 58 N 3.82 2.63 -0.06 2.11 0.52 -1.26 -5.05 118.94 121.64 2k3m s TRP 58 Ca 0.28 0.15 -0.05 0.00 0.02 0.00 0.00 56.10 56.50 2k3m s TRP 58 Cb -0.14 -3.04 -0.03 0.00 -1.15 0.00 0.00 33.47 29.11 2k3m s TRP 58 CO 0.17 -1.31 0.23 0.00 0.02 0.00 0.00 176.95 176.06 2k3m h ARG 59 N -0.38 -0.17 -0.00 4.98 -0.00 -2.01 -3.37 114.38 113.43 2k3m h ARG 59 Ca -0.42 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.07 2k3m h ARG 59 Cb 1.30 0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.31 2k3m h ARG 59 CO 0.53 -0.12 -0.48 0.98 0.00 0.00 0.00 179.97 180.89 2k3m n TYR 60 N -4.42 0.00 0.61 3.04 9.36 -1.26 -3.82 117.16 120.67 2k3m n TYR 60 Ca -0.02 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.33 2k3m n TYR 60 Cb 0.07 -0.21 0.43 0.00 -0.63 0.00 0.00 39.34 39.00 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 -1.33 0.24 -0.10 2.98 2.13 -1.26 -3.95 120.64 119.35 2k3m n GLU 61 Ca 0.07 0.23 -0.09 0.00 0.66 0.00 0.00 57.16 58.03 2k3m n GLU 61 Cb 0.34 -1.80 -0.04 0.00 0.27 0.00 0.00 31.44 30.21 2k3m n GLU 61 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2k3m h VAL 62 N 0.00 0.17 0.40 6.31 -1.51 -1.72 2.67 116.25 122.58 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 0.67 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 2k3m h VAL 62 CO 0.00 0.00 -0.19 0.00 -1.23 0.00 0.00 177.57 176.15 2k3m h ALA 63 N 0.51 -0.53 0.04 5.19 0.00 -1.86 3.94 119.26 126.55 2k3m h ALA 63 Ca 0.14 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2k3m h ALA 63 Cb 0.57 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2k3m h ALA 63 CO -0.52 -0.72 -0.52 1.25 0.00 0.00 0.00 179.25 178.75 2k3m h HIS 64 N -0.70 -1.50 0.03 0.00 6.17 -1.42 0.20 115.15 117.93 2k3m h HIS 64 Ca -0.05 0.05 -0.00 0.00 0.71 0.00 0.00 60.37 61.07 2k3m h HIS 64 Cb 0.50 0.65 0.00 0.00 2.52 0.00 0.00 27.41 31.08 2k3m h HIS 64 CO -0.01 -0.57 -0.02 0.22 0.71 0.00 0.00 177.93 178.26 2k3m h ASP 65 N -0.69 -0.04 0.00 3.26 3.58 0.46 -3.09 116.42 119.91 2k3m h ASP 65 Ca 0.01 -0.57 0.00 0.00 0.42 0.00 0.00 57.03 56.89 2k3m h ASP 65 Cb 0.73 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2k3m h ASP 65 CO -0.33 0.57 0.00 0.61 -2.88 0.00 0.00 179.24 177.21 2k3m n GLY 66 N 0.58 0.98 0.00 -0.78 0.00 1.30 -3.46 105.19 103.80 2k3m n GLY 66 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 0.73 0.90 -0.36 1.61 1.74 0.05 -4.21 116.66 117.11 2k3m n ARG 67 Ca 0.00 0.00 0.30 0.00 -0.77 0.00 0.00 57.85 57.38 2k3m n ARG 67 Cb 0.24 -1.08 0.47 0.00 -1.02 0.00 0.00 32.46 31.07 2k3m n ARG 67 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k3m n LEU 68 N -0.58 0.00 0.20 0.55 -0.00 -1.23 0.17 117.00 116.12 2k3m n LEU 68 Ca 0.03 0.64 -0.08 0.00 -0.00 0.00 0.00 56.01 56.60 2k3m n LEU 68 Cb 0.02 -0.28 -0.04 0.00 -0.00 0.00 0.00 43.42 43.12 2k3m n LEU 68 CO 0.03 -0.64 0.40 -0.07 -0.00 0.00 0.00 177.39 177.11 2k3m h LEU 69 N 0.00 -0.43 0.00 1.47 3.38 -1.93 -0.40 115.31 117.39 2k3m h LEU 69 Ca 0.54 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.52 2k3m h LEU 69 Cb 2.45 0.11 0.00 0.00 0.09 0.00 0.00 40.66 43.31 2k3m h LEU 69 CO -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.27 2k3m n ALA 70 N -2.34 -0.02 0.00 1.53 0.00 0.46 -3.65 120.51 116.49 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 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.24 0.37 -0.16 0.00 0.00 0.20 -4.03 120.51 115.65 2k3m n ALA 71 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2k3m n ALA 71 Cb 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.42 -0.02 -0.02 0.00 -0.00 -0.16 0.12 115.22 114.72 2k3m n HIS 72 Ca 0.00 0.51 -0.10 0.00 -0.00 0.00 0.00 57.72 58.13 2k3m n HIS 72 Cb 0.00 -0.63 -0.08 0.00 -0.00 0.00 0.00 29.99 29.27 2k3m n HIS 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2k3m h MET 73 N 0.00 -0.07 -0.96 -1.40 -0.00 -1.83 -3.32 114.93 107.35 2k3m h MET 73 Ca 0.13 0.00 0.30 0.00 -0.00 0.00 0.00 59.70 60.13 2k3m h MET 73 Cb 0.23 0.02 -0.15 0.00 -0.00 0.00 0.00 31.60 31.70 2k3m h MET 73 CO -0.40 0.50 0.43 0.28 -0.00 0.00 0.00 176.91 177.71 2k3m h VAL 74 N -0.92 0.27 0.00 -0.10 2.07 0.58 -0.21 116.25 117.94 2k3m h VAL 74 Ca -0.01 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2k3m h VAL 74 Cb 0.61 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2k3m h VAL 74 CO 0.01 0.05 0.55 -3.20 0.02 0.00 0.00 177.57 175.00 2k3m n ASN 75 N -5.14 0.00 0.31 0.57 2.85 0.27 -0.74 115.26 113.37 2k3m n ASN 75 Ca 0.28 0.17 0.04 0.00 -0.11 0.00 0.00 54.58 54.97 2k3m n ASN 75 Cb 0.89 0.00 0.23 0.00 1.24 0.00 0.00 39.78 42.14 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 0.40 8.20 0.00 -1.28 1.76 103.07 112.14 2k3m h GLY 76 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2k3m h GLY 76 CO 0.00 0.00 -0.10 0.16 0.00 0.00 0.00 176.54 176.60 2k3m h ILE 77 N 0.00 0.74 -0.84 2.60 3.07 -1.21 1.10 117.51 122.97 2k3m h ILE 77 Ca 0.00 -1.02 0.31 0.00 1.55 0.00 0.00 64.86 65.71 2k3m h ILE 77 Cb 1.53 1.23 -0.10 0.00 -0.27 0.00 0.00 36.82 39.21 2k3m h ILE 77 CO 0.00 0.19 0.52 0.52 -1.05 0.00 0.00 178.15 178.32 2k3m n VAL 78 N -4.97 -0.21 -0.09 0.16 0.31 0.60 0.32 118.33 114.45 2k3m n VAL 78 Ca -0.08 1.28 -0.14 0.00 -0.01 0.00 0.00 64.34 65.40 2k3m n VAL 78 Cb 0.26 -2.10 -0.14 0.00 -0.91 0.00 0.00 33.84 30.95 2k3m n VAL 78 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2k3m n ILE 79 N -4.22 1.49 1.05 2.52 -5.35 -1.17 -4.31 119.36 109.37 2k3m n ILE 79 Ca 0.27 -0.73 0.13 0.00 -0.27 0.00 0.00 62.75 62.15 2k3m n ILE 79 Cb 1.00 -1.00 0.46 0.00 -1.74 0.00 0.00 39.64 38.37 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m n ALA 80 N -2.93 2.89 -0.58 -1.28 0.00 0.67 -3.51 120.51 115.79 2k3m n ALA 80 Ca -0.35 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2k3m n ALA 80 Cb 1.08 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2k3m n ALA 80 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k3m n GLU 81 N -1.43 0.00 0.06 0.00 2.13 0.95 -4.76 120.64 117.59 2k3m n GLU 81 Ca 0.07 0.10 0.12 0.00 0.66 0.00 0.00 57.16 58.11 2k3m n GLU 81 Cb 0.33 -0.45 0.06 0.00 0.27 0.00 0.00 31.44 31.65 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2k3m n ASP 82 N -1.55 0.70 -0.31 4.31 9.92 -1.26 -4.32 116.55 124.03 2k3m n ASP 82 Ca 0.00 0.09 0.16 0.00 -0.53 0.00 0.00 54.79 54.51 2k3m n ASP 82 Cb 0.00 0.51 0.35 0.00 -0.64 0.00 0.00 41.12 41.34 2k3m n ASP 82 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k3m h ALA 83 N 2.33 1.55 -0.87 2.24 0.00 -1.75 -0.36 119.26 122.41 2k3m h ALA 83 Ca 0.00 0.18 0.25 0.00 0.00 0.00 0.00 54.91 55.34 2k3m h ALA 83 Cb 0.84 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 18.64 2k3m h ALA 83 CO 0.00 -0.42 0.06 -0.11 0.00 0.00 0.00 179.25 178.78 2k3m n LEU 84 N -5.07 -0.07 -0.11 0.00 7.94 -1.26 0.31 117.00 118.74 2k3m n LEU 84 Ca 0.25 1.48 -0.05 0.00 -1.11 0.00 0.00 56.01 56.58 2k3m n LEU 84 Cb 0.75 -0.55 0.15 0.00 0.53 0.00 0.00 43.42 44.29 2k3m n LEU 84 CO 0.11 -1.51 0.86 0.16 -1.11 0.00 0.00 177.39 175.90 2k3m h ILE 85 N 0.00 1.25 0.00 1.96 3.07 -1.38 -3.08 117.51 119.32 2k3m h ILE 85 Ca 0.55 -1.04 -0.18 0.00 1.55 0.00 0.00 64.86 65.74 2k3m h ILE 85 Cb 1.17 0.91 -0.03 0.00 -0.27 0.00 0.00 36.82 38.59 2k3m h ILE 85 CO -0.81 0.36 -1.47 0.00 -1.05 0.00 0.00 178.15 175.19 2k3m n ALA 86 N -2.48 1.91 0.17 0.16 0.00 0.75 -3.96 120.51 117.06 2k3m n ALA 86 Ca 0.02 -0.58 0.19 0.00 0.00 0.00 0.00 53.44 53.07 2k3m n ALA 86 Cb 0.31 -0.93 0.80 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 0.00 0.00 0.00 4.57 0.50 2.47 114.58 122.12 2k3m h GLU 87 Ca -0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 2k3m h GLU 87 Cb 1.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.21 2k3m h GLU 87 CO 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.88 2k3m n ALA 88 N -2.28 1.87 -0.77 2.92 0.00 -1.22 -1.65 120.51 119.38 2k3m n ALA 88 Ca 0.04 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 2k3m n ALA 88 Cb 0.46 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.43 2.77 0.19 0.00 0.31 0.83 -4.51 118.33 116.49 2k3m n VAL 89 Ca 0.06 -1.69 0.18 0.00 -0.01 0.00 0.00 64.34 62.87 2k3m n VAL 89 Cb 0.19 -1.04 0.82 0.00 -0.91 0.00 0.00 33.84 32.89 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 2.28 0.00 0.00 2.92 0.00 -1.46 -3.13 103.07 103.67 2k3m h GLY 90 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2k3m h GLY 90 CO 0.88 0.00 0.00 -1.05 0.00 0.00 0.00 176.54 176.37 2k3m n PRO 91 N -3.72 0.00 -0.28 4.80 -0.01 -1.26 -2.51 135.00 132.01 2k3m n PRO 91 Ca 0.03 0.00 0.26 0.00 -0.01 0.00 0.00 63.50 63.78 2k3m n PRO 91 Cb 0.39 -0.93 0.61 0.00 -0.01 0.00 0.00 33.50 33.56 2k3m n PRO 91 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 2k3m h HIS 92 N 0.00 0.34 0.71 6.00 -0.00 -1.90 0.69 115.15 120.99 2k3m h HIS 92 Ca 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 2k3m h HIS 92 Cb 0.00 -0.10 0.01 0.00 -0.00 0.00 0.00 27.41 27.32 2k3m h HIS 92 CO 0.00 0.05 -0.35 1.25 -0.00 0.00 0.00 177.93 178.88 2k3m h LEU 93 N 0.22 -0.83 -0.18 0.26 5.85 -1.84 6.11 115.31 124.89 2k3m h LEU 93 Ca 0.53 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.33 2k3m h LEU 93 Cb 1.66 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 42.84 2k3m h LEU 93 CO -0.14 -0.59 -0.27 0.00 -0.34 0.00 0.00 178.44 177.10 2k3m h ALA 94 N -0.67 -0.24 -0.21 1.25 0.00 -0.11 0.74 119.26 120.03 2k3m h ALA 94 Ca -0.10 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 94 Cb 0.74 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2k3m h ALA 94 CO 0.15 -0.72 -0.13 0.00 0.00 0.00 0.00 179.25 178.55 2k3m h ARG 95 N -0.31 0.33 -1.02 0.00 2.47 -0.20 -2.43 114.38 113.22 2k3m h ARG 95 Ca 0.11 -0.08 0.26 0.00 -1.26 0.00 0.00 59.98 59.01 2k3m h ARG 95 Cb 0.49 -0.04 -0.12 0.00 -1.65 0.00 0.00 29.97 28.65 2k3m h ARG 95 CO -0.36 0.47 0.61 0.00 0.56 0.00 0.00 179.97 181.25 2k3m h ALA 96 N 1.56 1.91 -0.57 0.04 0.00 1.50 0.91 119.26 124.61 2k3m h ALA 96 Ca 0.06 0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.26 2k3m h ALA 96 Cb 0.42 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2k3m h ALA 96 CO 0.02 -0.39 0.78 -0.11 0.00 0.00 0.00 179.25 179.56 2k3m n LEU 97 N -4.84 0.00 -0.09 0.00 -0.00 -0.81 0.65 117.00 111.90 2k3m n LEU 97 Ca 0.27 0.47 -0.16 0.00 -0.00 0.00 0.00 56.01 56.60 2k3m n LEU 97 Cb 0.81 -0.14 -0.08 0.00 -0.00 0.00 0.00 43.42 44.01 2k3m n LEU 97 CO 0.18 -0.47 -0.47 0.61 -0.00 0.00 0.00 177.39 177.24 2k3m n GLY 98 N -1.35 -0.88 0.00 -3.96 0.00 0.32 -3.88 105.19 95.43 2k3m n GLY 98 Ca 0.13 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.19 2k3m n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k3m n GLN 99 N -4.50 0.90 0.12 1.61 3.00 1.11 -3.30 117.38 116.32 2k3m n GLN 99 Ca -0.23 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.62 2k3m n GLN 99 Cb 0.53 -1.10 -0.08 0.00 0.00 0.00 0.00 30.24 29.59 2k3m n GLN 99 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 2k3m h ILE 100 N 0.00 0.85 0.11 5.09 6.09 1.97 0.10 117.51 131.73 2k3m h ILE 100 Ca 0.00 -0.18 0.02 0.00 -1.37 0.00 0.00 64.86 63.33 2k3m h ILE 100 Cb 0.00 0.96 -0.05 0.00 0.47 0.00 0.00 36.82 38.21 2k3m h ILE 100 CO 0.00 0.04 -0.40 0.58 -3.07 0.00 0.00 178.15 175.30 2k3m h VAL 101 N -0.34 0.19 0.00 2.19 2.07 -1.77 1.42 116.25 120.01 2k3m h VAL 101 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2k3m h VAL 101 Cb 0.26 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2k3m h VAL 101 CO 0.04 0.00 0.67 0.00 0.02 0.00 0.00 177.57 178.30 2k3m n ARG 103 N -2.66 0.60 -0.80 0.00 1.74 0.40 -3.16 116.66 112.78 2k3m n ARG 103 Ca -0.01 0.41 0.04 0.00 -0.77 0.00 0.00 57.85 57.52 2k3m n ARG 103 Cb 0.69 -1.64 0.33 0.00 -1.02 0.00 0.00 32.46 30.83 2k3m n ARG 103 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2k3m n TYR 104 N -4.19 1.81 -0.89 -1.55 9.36 0.35 -4.49 117.16 117.56 2k3m n TYR 104 Ca -0.41 -0.93 0.00 0.00 3.32 0.00 0.00 57.90 59.88 2k3m n TYR 104 Cb 0.81 -0.50 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 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 0.03 0.75 1.58 2.98 0.00 1.03 -4.88 105.19 106.68 2k3m n GLY 105 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 2k3m n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3m n ALA 106 N 0.00 -0.43 0.11 4.61 0.00 0.34 -4.78 120.51 120.36 2k3m n ALA 106 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2k3m n ALA 106 Cb 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2k3m n ALA 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3m n THR 107 N 2.00 0.22 0.51 0.00 -1.04 -1.26 -4.77 114.28 109.94 2k3m n THR 107 Ca 0.16 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2k3m n THR 107 Cb -0.02 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2k3m n THR 107 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2k3m n VAL 108 N -3.35 0.44 -0.06 12.58 0.24 -1.26 -3.01 118.33 123.91 2k3m n VAL 108 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 2k3m n VAL 108 Cb 0.02 -0.69 -0.05 0.00 -1.47 0.00 0.00 33.84 31.65 2k3m n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k3m n ILE 109 N 0.68 0.68 0.20 1.34 3.06 -1.26 -4.52 119.36 119.53 2k3m n ILE 109 Ca 0.00 -0.21 0.04 0.00 -2.50 0.00 0.00 62.75 60.08 2k3m n ILE 109 Cb 0.24 -1.31 0.43 0.00 0.54 0.00 0.00 39.64 39.54 2k3m n ILE 109 CO 0.00 0.00 0.00 -0.65 -2.50 0.00 0.00 176.55 173.40 2k3m h PRO 110 N -0.23 0.00 0.09 9.51 0.11 -1.87 -2.11 132.00 137.49 2k3m h PRO 110 Ca -0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 2k3m h PRO 110 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2k3m h PRO 110 CO -0.12 0.31 -0.04 -0.97 -0.21 0.00 0.00 178.00 176.96 2k3m h ASN 111 N 0.00 -0.10 -0.74 -2.05 -1.24 -1.83 -2.14 115.58 107.47 2k3m h ASN 111 Ca -0.00 0.00 0.21 0.00 0.71 0.00 0.00 56.30 57.22 2k3m h ASN 111 Cb 0.57 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.62 2k3m h ASN 111 CO 0.04 -0.04 0.59 0.16 -1.29 0.00 0.00 177.43 176.89 2k3m h ILE 112 N -0.19 0.49 0.15 2.57 3.07 -1.79 0.24 117.51 122.05 2k3m h ILE 112 Ca -0.01 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.40 2k3m h ILE 112 Cb 0.09 0.57 -0.00 0.00 -0.27 0.00 0.00 36.82 37.21 2k3m h ILE 112 CO 0.02 0.00 -0.10 -1.13 -1.05 0.00 0.00 178.15 175.89 2k3m h ASN 113 N 0.00 -0.25 -0.30 2.16 -1.24 -1.30 1.55 115.58 116.19 2k3m h ASN 113 Ca 0.35 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.39 2k3m h ASN 113 Cb 1.53 0.08 -0.02 0.00 0.73 0.00 0.00 38.32 40.65 2k3m h ASN 113 CO -0.00 -0.16 0.20 0.00 -1.29 0.00 0.00 177.43 176.17 2k3m h ALA 114 N 0.59 1.84 0.00 1.57 0.00 0.17 0.17 119.26 123.60 2k3m h ALA 114 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k3m h ALA 114 Cb 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k3m h ALA 114 CO 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 179.25 179.31 2k3m h ALA 115 N 1.82 0.01 0.04 0.00 0.00 -1.18 -3.17 119.26 116.78 2k3m h ALA 115 Ca 0.12 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.66 2k3m h ALA 115 Cb 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2k3m h ALA 115 CO -0.03 0.05 -0.47 0.82 0.00 0.00 0.00 179.25 179.63 2k3m h ILE 116 N -1.00 0.00 -0.86 0.00 2.04 0.24 1.73 117.51 119.65 2k3m h ILE 116 Ca -0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.99 2k3m h ILE 116 Cb 0.68 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.61 2k3m h ILE 116 CO -0.01 0.00 -0.32 -0.33 0.00 0.00 0.00 178.15 177.48 2k3m h GLU 117 N -0.62 -0.04 0.30 2.37 5.08 -0.83 2.53 114.58 123.37 2k3m h GLU 117 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2k3m h GLU 117 Cb 0.65 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2k3m h GLU 117 CO -0.29 -0.03 -0.14 0.28 -1.00 0.00 0.00 179.01 177.82 2k3m h VAL 118 N -0.04 0.71 0.01 3.13 2.07 -1.22 0.84 116.25 121.75 2k3m h VAL 118 Ca 0.34 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.80 2k3m h VAL 118 Cb 0.60 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2k3m h VAL 118 CO -0.89 0.01 -0.03 0.25 0.02 0.00 0.00 177.57 176.93 2k3m h LEU 119 N -0.44 -0.10 0.00 2.57 5.85 1.06 -3.38 115.31 120.88 2k3m h LEU 119 Ca -0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2k3m h LEU 119 Cb 0.33 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2k3m h LEU 119 CO 0.07 -0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.74 2k3m n GLY 120 N -1.03 0.23 0.00 3.75 0.00 0.77 -5.05 105.19 103.86 2k3m n GLY 120 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2k3m n GLY 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3m n THR 121 N -0.27 0.00 0.00 2.61 -1.04 0.29 -4.94 114.28 110.93 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k3m n THR 121 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3m n GLY 122 N 0.00 3.04 3.43 3.41 0.00 -1.26 -4.75 105.19 109.07 2k3m n GLY 122 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2k3m n GLY 122 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 123 N -1.94 0.00 -3.77 2.61 5.66 -1.26 -4.55 114.28 111.03 2k3m n THR 123 Ca 0.00 -0.30 -0.01 0.00 -3.05 0.00 0.00 64.05 60.69 2k3m n THR 123 Cb 0.00 -1.25 0.01 0.00 -1.55 0.00 0.00 70.33 67.54 2k3m n THR 123 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2k3m n ASP 124 N 14.12 -0.85 -3.82 1.09 8.00 -1.26 -4.88 116.55 128.95 2k3m n ASP 124 Ca 0.37 -1.37 -0.12 0.00 0.71 0.00 0.00 54.79 54.37 2k3m n ASP 124 Cb 0.42 1.36 -0.11 0.00 -0.02 0.00 0.00 41.12 42.78 2k3m n ASP 124 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2k3m s TYR 125 N -3.38 -0.13 -0.03 1.24 5.04 -1.26 -5.05 117.35 113.78 2k3m s TYR 125 Ca 0.14 0.29 -0.09 0.00 -2.44 0.00 0.00 57.07 54.97 2k3m s TYR 125 Cb -0.01 0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.35 2k3m s TYR 125 CO 0.02 -0.21 0.20 1.03 -1.34 0.00 0.00 175.55 175.25 2k3m s ARG 126 N -0.59 0.46 0.00 4.97 1.81 -1.26 -5.01 118.95 119.34 2k3m s ARG 126 Ca -0.07 -0.14 0.00 0.00 -1.72 0.00 0.00 55.73 53.80 2k3m s ARG 126 Cb -0.04 0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.66 2k3m s ARG 126 CO 0.01 -0.11 0.00 1.97 -0.68 0.00 0.00 175.30 176.50